ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A01 compound treatment 0.419 0.0303 0.95 0.417 0.0226 0.67 1.1474 0.9849 2065621 ICCB6_000001 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A02 compound treatment 0.387 -0.00166 -0.05 0.401 0.00656 0.19 0.1007 0.5001 2065622 ICCB6_000002 OCCCCCCCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A03 compound treatment 0.393 0.00434 0.14 0.409 0.0146 0.43 0.4017 0.8875 2065623 ICCB6_000003 CC1(C)OC(=O)C=C(CC(O)c2ccccc2)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A04 compound treatment 0.353 -0.0357 -1.12 0.373 -0.0214 -0.64 -1.242 -0.9638 2065624 ICCB6_000004 CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)[C@@H]1OCCCc4ccc(C=O)o4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A05 compound treatment 0.416 0.0273 0.86 0.415 0.0206 0.61 1.0388 0.9858 2065625 ICCB6_000005 Clc1ccccc1C(CC(=O)c2ccccc2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A06 compound treatment 0.384 -0.00466 -0.15 0.398 0.00356 0.11 -0.0289 -0.16 2065626 ICCB6_000006 OCCCCCCCCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A07 compound treatment 0.401 0.0123 0.39 0.419 0.0246 0.73 0.7891 0.9567 2065627 ICCB6_000007 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A08 compound treatment 0.385 -0.00366 -0.11 0.387 -0.00744 -0.22 -0.2371 -0.954 2065628 ICCB6_000008 OC[C@H](COCCCc1ccc(C=O)o1)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A09 compound treatment 0.423 0.0343 1.08 0.424 0.0296 0.88 1.383 0.9946 2065629 ICCB6_000009 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A10 compound treatment 0.385 -0.00366 -0.11 0.397 0.00256 0.08 -0.0276 -0.2003 2065630 ICCB6_000010 OCCOCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A11 compound treatment 0.39 0.00134 0.04 0.416 0.0216 0.64 0.4817 0.7522 2065631 ICCB6_000011 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A12 compound treatment 0.383 -0.00566 -0.18 0.394 -4.37E-4 -0.01 -0.1349 -0.7566 2065632 ICCB6_000012 OCc1ccc(CCc2ccc(C=O)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A13 compound treatment 0.405 0.0163 0.51 0.413 0.0186 0.55 0.7523 0.9994 2065633 ICCB6_000013 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A14 compound treatment 0.382 -0.00666 -0.21 0.392 -0.00244 -0.07 -0.1991 -0.8991 2065634 ICCB6_000014 OCCOCCOCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A15 compound treatment 0.399 0.0103 0.33 0.404 0.00956 0.28 0.4303 0.9976 ICCB6_000015 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A16 compound treatment 0.371 -0.0177 -0.56 0.401 0.00656 0.19 -0.2551 -0.4336 2065635 ICCB6_000016 OCC1CC2CCN1CC2CCc3ccc(C=O)o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A17 compound treatment 0.389 3.44E-4 0.01 0.411 0.0166 0.49 0.3547 0.7225 1952805 ICCB6_000017 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A18 compound treatment 0.368 -0.0207 -0.65 0.39 -0.00444 -0.13 -0.5522 -0.8334 2065636 ICCB6_000018 OCCCCNC(=O)OCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A19 compound treatment 0.384 -0.00466 -0.15 0.385 -0.00944 -0.28 -0.3013 -0.9544 1952839 ICCB6_000019 Oc1ccccc1C#CC#Cc2ccccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A20 compound treatment 0.372 -0.0167 -0.52 0.371 -0.0234 -0.69 -0.8614 -0.9903 2065637 ICCB6_000020 OCCCCc1ccc(C=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A21 compound treatment 0.431 0.0423 1.33 0.427 0.0326 0.96 1.6237 0.9875 1952635 ICCB6_000021 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCC(c3ccccc3)c4ccccc4)O2)O1)OC(=O)NCc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A22 compound treatment 0.359 -0.0297 -0.93 0.341 -0.0534 -1.58 -1.779 -0.9681 2065638 ICCB6_000022 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A23 mock treatment 0.405 0.0163 0.51 0.397 0.00256 0.08 0.4171 0.8029 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 A24 mock treatment 0.393 0.00434 0.14 0.389 -0.00544 -0.16 -0.0174 -0.0821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B01 compound treatment 0.388 -6.56E-4 -0.02 0.382 -0.0124 -0.37 -0.2752 -0.7455 2065621 ICCB6_000023 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B02 compound treatment 0.391 0.00234 0.07 0.391 -0.00344 -0.1 -0.0199 -0.1584 2065639 ICCB6_000024 OB1OC(COCc2ccccc2)CC=C1C(=C)CCCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B03 compound treatment 0.378 -0.0107 -0.34 0.386 -0.00844 -0.25 -0.4137 -0.9896 2065640 ICCB6_000025 CC1(C)OC(=O)C=C(CC(O)C2CCCCC2)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B04 compound treatment 0.372 -0.0167 -0.52 0.395 5.63E-4 0.02 -0.3585 -0.6843 2065641 ICCB6_000026 CC(C)C(=C)C1=CCC(COCc2ccccc2)OB1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B05 compound treatment 0.427 0.0383 1.21 0.431 0.0366 1.08 1.6186 0.9986 2065642 ICCB6_000027 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B06 compound treatment 0.369 -0.0197 -0.62 0.384 -0.0104 -0.31 -0.6557 -0.9488 2065643 ICCB6_000028 CCCC(=C)C1=CCC(COCc2ccccc2)OB1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B07 compound treatment 0.372 -0.0167 -0.52 0.383 -0.0114 -0.34 -0.61 -0.9778 2065644 ICCB6_000029 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B08 compound treatment 0.382 -0.00666 -0.21 0.378 -0.0164 -0.49 -0.4924 -0.9288 2065645 ICCB6_000030 O[C@@H]([C@H](Oc1ccccc1)C=C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B09 compound treatment 0.394 0.00534 0.17 0.399 0.00456 0.14 0.2144 0.9942 2065646 ICCB6_000031 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B10 compound treatment 0.373 -0.0157 -0.49 0.393 -0.00144 -0.04 -0.3782 -0.7654 2065647 ICCB6_000032 O[C@H](COCc1ccccc1)[C@H](Oc2ccccc2)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B11 compound treatment 0.382 -0.00666 -0.21 0.39 -0.00444 -0.13 -0.241 -0.9749 2065648 ICCB6_000033 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B12 compound treatment 0.393 0.00434 0.14 0.41 0.0156 0.46 0.4227 0.8788 2065649 ICCB6_000034 CC(C)C(=C)C(=O)CCC(COCc1ccccc1)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B13 compound treatment 0.38 -0.00866 -0.27 0.381 -0.0134 -0.4 -0.474 -0.9828 2065650 ICCB6_000035 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B14 compound treatment 0.383 -0.00566 -0.18 0.387 -0.00744 -0.22 -0.2816 -0.9943 2065651 ICCB6_000036 CCCC(=C=CC[C@@H](OC(=O)Nc1ccc(Br)cc1)c2ccccc2)CCOC(=O)Nc3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B15 compound treatment 0.376 -0.0127 -0.4 0.383 -0.0114 -0.34 -0.521 -0.9968 1952458 ICCB6_000037 Fc1ccc(cc1Br)[C@@H]2C3=C(C[C@@H]4C2=CCn5n4c(=O)n(c6ccccc6)c5=O)C(=O)OC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B16 compound treatment 0.399 0.0103 0.33 0.405 0.0106 0.31 0.4513 0.9998 2065652 ICCB6_000038 CC(C)C(=C=CC[C@H](COCc1ccccc1)OC(=O)c2ccc(Br)cc2)CCOC(=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B17 compound treatment 0.389 3.44E-4 0.01 0.405 0.0106 0.31 0.229 0.7311 1952808 ICCB6_000039 CCCCCc1cc2ccccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B18 compound treatment 0.374 -0.0147 -0.46 0.389 -0.00544 -0.16 -0.4398 -0.9009 2065653 ICCB6_000040 CC1(C)OC[C@@H](C=C)[C@H](CCc2ccccc2)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B19 compound treatment 0.368 -0.0207 -0.65 0.383 -0.0114 -0.34 -0.6989 -0.954 1952842 ICCB6_000041 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B20 compound treatment 0.332 -0.0567 -1.78 0.365 -0.0294 -0.87 -1.8765 -0.946 2065654 ICCB6_000042 CCC[C@@]1(CCO[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)O[C@@H](Cc4ccccc4)CC=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B21 compound treatment 0.419 0.0303 0.95 0.423 0.0286 0.85 1.2731 0.9982 1952636 ICCB6_000043 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccc(Cl)cc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B22 compound treatment 0.402 0.0133 0.42 0.413 0.0186 0.55 0.6856 0.9911 3056822 ICCB6_000044 CC(C)[Si](OC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)c4ccccc4C3=O)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B23 mock treatment 0.389 3.44E-4 0.01 0.389 -0.00544 -0.16 -0.1063 -0.6582 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 B24 mock treatment 0.412 0.0233 0.73 0.415 0.0206 0.61 0.9499 0.9957 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C01 compound treatment 0.391 0.00234 0.07 0.743 0.349 10.33 7.3554 0.7121 2065655 ICCB6_000045 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(C)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C02 compound treatment 0.379 -0.00966 -0.3 0.4 0.00556 0.16 -0.0981 -0.2841 2065656 ICCB6_000046 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C03 compound treatment 0.373 -0.0157 -0.49 0.387 -0.00744 -0.22 -0.5039 -0.9343 2065657 ICCB6_000047 COC(=O)c1cn2c(c1C(=O)OC)c(=O)n(C)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C04 compound treatment 0.379 -0.00966 -0.3 0.389 -0.00544 -0.16 -0.3286 -0.9561 2065658 ICCB6_000048 C[C@@H]([C@H](O)c1ccc(CCCCCCO)o1)C(=O)N2[C@H](COC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C05 compound treatment 0.413 0.0243 0.77 0.426 0.0316 0.94 1.2026 0.9951 2065659 ICCB6_000049 C[Si](C)(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3Cl)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C06 compound treatment 0.386 -0.00266 -0.08 0.389 -0.00544 -0.16 -0.173 -0.9532 2065660 ICCB6_000050 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C07 compound treatment 0.382 -0.00666 -0.21 0.395 5.63E-4 0.02 -0.1362 -0.6487 2065661 ICCB6_000051 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)CCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C08 compound treatment 0.366 -0.0227 -0.71 0.389 -0.00544 -0.16 -0.6177 -0.8457 2065662 ICCB6_000052 CC(C)[C@@H]1N(C(=O)[C@@H](C)[C@H](O)c2ccc(CCCCCCO)o2)C(=O)OC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C09 compound treatment 0.391 0.00234 0.07 0.383 -0.0114 -0.34 -0.1875 -0.5407 2065663 ICCB6_000053 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C10 compound treatment 0.374 -0.0147 -0.46 0.367 -0.0274 -0.81 -0.9008 -0.9638 2065664 ICCB6_000054 COC(=O)[C@H](Cc1ccccc1)NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C11 compound treatment 0.38 -0.00866 -0.27 0.379 -0.0154 -0.46 -0.5159 -0.9692 2065665 ICCB6_000055 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C12 compound treatment 0.38 -0.00866 -0.27 0.391 -0.00344 -0.1 -0.2645 -0.9101 2065666 ICCB6_000056 CCc1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C13 compound treatment 0.415 0.0263 0.83 0.414 0.0196 0.58 0.9956 0.9848 1065064 ICCB6_000057 [O-][N+](=O)c1ccc(CBr)c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C14 compound treatment 0.378 -0.0107 -0.34 0.383 -0.0114 -0.34 -0.4766 -1.0 2065667 ICCB6_000058 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C15 compound treatment 0.374 -0.0147 -0.46 0.386 -0.00844 -0.25 -0.5027 -0.9587 1952482 ICCB6_000059 Fc1ccc(cc1Br)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)C(=O)N(C4=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C16 compound treatment 0.374 -0.0147 -0.46 0.374 -0.0204 -0.61 -0.7541 -0.9909 2065668 ICCB6_000060 COc1cccc(C)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C17 compound treatment 0.374 -0.0147 -0.46 0.382 -0.0124 -0.37 -0.5865 -0.9939 1952809 ICCB6_000061 CC(=O)Oc1ccccc1C#Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C18 compound treatment 0.382 -0.00666 -0.21 0.387 -0.00744 -0.22 -0.3038 -0.9997 2065669 ICCB6_000062 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccc(C#N)cc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C19 compound treatment 0.375 -0.0137 -0.43 0.368 -0.0264 -0.78 -0.8576 -0.9599 1952773 ICCB6_000063 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C20 compound treatment 0.397 0.00834 0.26 0.383 -0.0114 -0.34 -0.0541 -0.1263 2065670 ICCB6_000064 CCOC(=O)CNC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C21 compound treatment 0.38 -0.00866 -0.27 0.387 -0.00744 -0.22 -0.3483 -0.9945 1952585 ICCB6_000065 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCCN4CCCC4=O)O3)O2)OC(=O)NCc5cccc6ccccc56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C22 compound treatment 0.381 -0.00766 -0.24 0.376 -0.0184 -0.55 -0.5565 -0.9322 2065671 ICCB6_000066 OCCCCCCc1ccc(/C=C/COC(=O)Nc2ccccc2F)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C23 mock treatment 0.374 -0.0147 -0.46 0.369 -0.0254 -0.75 -0.8588 -0.9721 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 C24 mock treatment 0.388 -6.56E-4 -0.02 0.383 -0.0114 -0.34 -0.2542 -0.7488 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D01 compound treatment 0.38 -0.00866 -0.27 0.394 -4.37E-4 -0.01 -0.2016 -0.7399 2065672 ICCB6_000067 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D02 compound treatment 0.386 -0.00266 -0.08 0.386 -0.00844 -0.25 -0.2358 -0.8947 2065673 ICCB6_000068 CC(C)[Si](OC[C@@H]1CC=C(C)B(O)O1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D03 compound treatment 0.404 0.0153 0.48 0.394 -4.37E-4 -0.01 0.332 0.6879 2065674 ICCB6_000069 CCOC(=O)C1[C@H](CCc2ccccc2)O[C@H](CCc3ccccc3)CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D04 compound treatment 0.359 -0.0297 -0.93 0.355 -0.0394 -1.17 -1.4857 -0.9937 2065675 ICCB6_000070 CC(C)[Si](OC[C@H]1OB(O)CC=C1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D05 compound treatment 0.366 -0.0227 -0.71 0.357 -0.0374 -1.11 -1.2882 -0.9771 2065676 ICCB6_000071 C[Si](C)(C(N[Si](=O)(=O)c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D06 compound treatment 0.408 0.0193 0.61 0.389 -0.00544 -0.16 0.3162 0.5025 2065677 ICCB6_000072 CC(C)[Si](OCC(O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D07 compound treatment 0.384 -0.00466 -0.15 0.383 -0.0114 -0.34 -0.3432 -0.9295 2065678 ICCB6_000073 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D08 compound treatment 0.383 -0.00566 -0.18 0.37 -0.0244 -0.72 -0.6378 -0.8554 2065679 ICCB6_000074 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D09 compound treatment 0.376 -0.0127 -0.4 0.383 -0.0114 -0.34 -0.521 -0.9968 2065680 ICCB6_000075 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)CCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D10 compound treatment 0.371 -0.0177 -0.56 0.367 -0.0274 -0.81 -0.9675 -0.9827 2065681 ICCB6_000076 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D11 compound treatment 0.374 -0.0147 -0.46 0.375 -0.0194 -0.58 -0.7331 -0.9939 2065682 ICCB6_000077 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccc(OC)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D12 compound treatment 0.392 0.00334 0.11 0.371 -0.0234 -0.69 -0.4167 -0.5933 2065683 ICCB6_000078 CC(C)[Si](OCC(O)/C(=C\CO)/C)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D13 compound treatment 0.381 -0.00766 -0.24 0.389 -0.00544 -0.16 -0.2842 -0.9809 1952278 ICCB6_000079 COC(=O)c1nc(oc1C)C(NC(=O)CCc2cn(CC=C)c3ccccc23)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D14 compound treatment 0.363 -0.0257 -0.81 0.37 -0.0244 -0.72 -1.0825 -0.9985 2065684 ICCB6_000080 CC(C)[Si](OCC(O)/C=C\CO)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D15 compound treatment 0.397 0.00834 0.26 0.398 0.00356 0.11 0.2602 0.9199 2065685 ICCB6_000081 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D16 compound treatment 0.384 -0.00466 -0.15 0.368 -0.0264 -0.78 -0.6575 -0.825 2065686 ICCB6_000082 CC(C)[Si](OC[C@@H](O)[C@@]1(C)OC(C)(C)OC1CO)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D17 compound treatment 0.375 -0.0137 -0.43 0.371 -0.0234 -0.69 -0.7947 -0.9733 1952811 ICCB6_000083 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D18 compound treatment 0.371 -0.0177 -0.56 0.369 -0.0254 -0.75 -0.9256 -0.9887 2065687 ICCB6_000084 CC(C)[Si](OC[C@@H](O)[C@H]1OC(C)(C)OC1CO)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D19 compound treatment 0.381 -0.00766 -0.24 0.378 -0.0164 -0.49 -0.5146 -0.9472 1952780 ICCB6_000085 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D20 compound treatment 0.354 -0.0347 -1.09 0.364 -0.0304 -0.9 -1.4083 -0.9956 2065688 ICCB6_000086 CC1(C)OC(CO)[C@H](O1)[C@H](O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D21 compound treatment 0.365 -0.0237 -0.74 0.353 -0.0414 -1.23 -1.3942 -0.9712 1952670 ICCB6_000087 COCCNC(=O)OC[C@H]1CCC[C@@]2(C[C@@H](C[C@@H](CCC(=O)N[C@@H](C)C(=O)OC)O2)OC(=O)NCCc3ccc(F)cc3)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D22 compound treatment 0.362 -0.0267 -0.84 0.369 -0.0254 -0.75 -1.1257 -0.9986 2065689 ICCB6_000088 C/C(=C/CO)/[C@H](O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D23 mock treatment 0.369 -0.0197 -0.62 0.373 -0.0214 -0.64 -0.8862 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 D24 mock treatment 0.394 0.00534 0.17 0.393 -0.00144 -0.04 0.0887 0.5117 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E01 compound treatment 0.384 -0.00466 -0.15 0.391 -0.00344 -0.1 -0.1756 -0.9843 2065690 ICCB6_000089 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(Cl)c(Cl)c4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E02 compound treatment 0.377 -0.0117 -0.37 0.38 -0.0144 -0.43 -0.5617 -0.997 2065691 ICCB6_000090 COc1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E03 compound treatment 0.405 0.0163 0.51 0.408 0.0136 0.4 0.6476 0.9926 2065692 ICCB6_000091 CCOC(=O)C1[C@@H](O[C@@H](CC1=O)c2ccccc2)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E04 compound treatment 0.359 -0.0297 -0.93 0.384 -0.0104 -0.31 -0.8781 -0.8938 2065693 ICCB6_000092 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](O)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E05 compound treatment 0.407 0.0183 0.58 0.405 0.0106 0.31 0.6292 0.9587 2065694 ICCB6_000093 COc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)[Si](C)(C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E06 compound treatment 0.366 -0.0227 -0.71 0.377 -0.0174 -0.52 -0.8691 -0.9876 2065695 ICCB6_000094 CC(=O)OC/C=C/c1ccc(CCCCCCO)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E07 compound treatment 0.378 -0.0107 -0.34 0.38 -0.0144 -0.43 -0.5394 -0.9927 2065696 ICCB6_000095 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E08 compound treatment 0.417 0.0283 0.89 0.383 -0.0114 -0.34 0.3905 0.4096 2065697 ICCB6_000096 CCOC(=O)c1cccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E09 compound treatment 0.449 0.0603 1.9 0.377 -0.0174 -0.52 0.9763 0.4965 2065698 ICCB6_000097 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E10 compound treatment 0.454 0.0653 2.05 0.378 -0.0164 -0.49 1.1084 0.5249 2065699 ICCB6_000098 CCCCOC(=O)c1ccc(NC(=O)OC/C=C/c2ccc(CCCCCCO)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E11 compound treatment 0.472 0.0833 2.62 0.369 -0.0254 -0.75 1.3201 0.4841 1952474 ICCB6_000099 OCCCCCNC(CCO)Cc1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E12 compound treatment 0.488 0.0993 3.12 0.386 -0.00844 -0.25 2.032 0.6484 2065700 ICCB6_000100 COC(=O)[C@@H](NC(=O)OC/C=C/c1ccc(CCCCCCO)o1)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E13 compound treatment 0.497 0.108 3.41 0.392 -0.00244 -0.07 2.3578 0.692 1952280 ICCB6_000101 COC(=O)c1nc2oc1CC/C=C/Cn3cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E14 compound treatment 0.405 0.0163 0.51 0.373 -0.0214 -0.64 -0.0858 -0.105 2065701 ICCB6_000102 COc1cccc(Cl)c1NC(=O)OC/C=C/c2ccc(CCCCCCO)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E15 compound treatment 0.418 0.0293 0.92 0.39 -0.00444 -0.13 0.5594 0.6003 1952487 ICCB6_000103 Fc1ccc(cc1Br)[C@H]2C3=CCn4n(C3C[C@@]5(C#N)C(=O)C(=C(Cl)C(=O)[C@@]25C#N)Cl)c(=O)n(c6ccccc6)c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E16 compound treatment 0.387 -0.00166 -0.05 0.368 -0.0264 -0.78 -0.5908 -0.7525 2065702 ICCB6_000104 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E17 compound treatment 0.386 -0.00266 -0.08 0.383 -0.0114 -0.34 -0.2987 -0.8558 1952813 ICCB6_000105 OCCCC#Cc1cc(O)cc(Cl)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E18 compound treatment 0.368 -0.0207 -0.65 0.369 -0.0254 -0.75 -0.9923 -0.9973 2065703 ICCB6_000106 COc1cccc(c1)c2cc(oc2CCCCCCO)[C@@H](OC(=O)C)[C@H](C)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E19 compound treatment 0.368 -0.0207 -0.65 0.363 -0.0314 -0.93 -1.118 -0.9845 3107406 ICCB6_000107 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E20 compound treatment 0.368 -0.0207 -0.65 0.361 -0.0334 -0.99 -1.1599 -0.979 2065704 ICCB6_000108 C[C@@H]([C@H](OC(=O)C)c1cc(c(CCCCCCO)o1)c2ccccc2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E21 compound treatment 0.374 -0.0147 -0.46 0.369 -0.0254 -0.75 -0.8588 -0.9721 ICCB6_000109 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E22 compound treatment 0.375 -0.0137 -0.43 0.362 -0.0324 -0.96 -0.9833 -0.934 2065705 ICCB6_000110 C[C@@H]([C@H](O)c1cc(c(CCCCCCO)o1)c2cccc(C)c2)C(=O)N3[C@@H](Cc4ccccc4)COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E23 mock treatment 0.374 -0.0147 -0.46 0.385 -0.00944 -0.28 -0.5236 -0.9713 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 E24 mock treatment 0.382 -0.00666 -0.21 0.388 -0.00644 -0.19 -0.2829 -0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F01 compound treatment 0.403 0.0143 0.45 0.403 0.00856 0.25 0.4983 0.963 2065706 ICCB6_000111 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccc(OC)cc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F02 compound treatment 0.392 0.00334 0.11 0.402 0.00756 0.22 0.2328 0.9405 2065707 ICCB6_000112 CC(C)[Si](OC[C@@H](O)C(C=C)C(O)c1ccccc1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F03 compound treatment 0.388 -6.56E-4 -0.02 0.396 0.00156 0.05 0.0181 0.358 1009686 ICCB6_000113 O=C(CC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F04 compound treatment 0.378 -0.0107 -0.34 0.361 -0.0334 -0.99 -0.9375 -0.8964 2065708 ICCB6_000114 OC/C=C\C(O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F05 compound treatment 0.37 -0.0187 -0.59 0.372 -0.0224 -0.66 -0.8849 -0.9981 2065709 ICCB6_000115 CCCCCCCCNC(=O)CC[C@H]1O[C@H](O[C@H]2O[C@H](CCC(=O)NCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F06 compound treatment 0.367 -0.0217 -0.68 0.369 -0.0254 -0.75 -1.0145 -0.9987 2065710 ICCB6_000116 CC1=C([C@H](O)C(C)(C)C)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F07 compound treatment 0.403 0.0143 0.45 0.367 -0.0274 -0.81 -0.256 -0.2753 2065711 ICCB6_000117 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F08 compound treatment 0.432 0.0433 1.36 0.379 -0.0154 -0.46 0.6402 0.4454 2065712 ICCB6_000118 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F09 compound treatment 0.463 0.0743 2.34 0.38 -0.0144 -0.43 1.3504 0.5683 2065713 ICCB6_000119 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F10 compound treatment 0.477 0.0883 2.78 0.375 -0.0194 -0.58 1.557 0.5488 2065714 ICCB6_000120 C[C@@H](O)C1=CC[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F11 compound treatment 0.506 0.117 3.69 0.379 -0.0154 -0.46 2.2856 0.6147 1952476 ICCB6_000121 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2c(Br)sc3ccc(Cl)cc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F12 compound treatment 0.534 0.145 4.57 0.382 -0.0124 -0.37 2.971 0.648 2065715 ICCB6_000122 OC[C@@H]1[C@H]2[C@@H](CC=C1CO)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F13 compound treatment 0.534 0.145 4.57 0.371 -0.0234 -0.69 2.7405 0.5928 1952282 ICCB6_000123 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F14 compound treatment 0.505 0.116 3.66 0.375 -0.0194 -0.58 2.1795 0.5885 2065716 ICCB6_000124 CC1=C(CO)[C@H](CO)[C@H]2[C@@H](C1)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F15 compound treatment 0.52 0.131 4.13 0.389 -0.00544 -0.16 2.8064 0.679 1952488 ICCB6_000125 Fc1ccc(cc1Br)[C@H]2C3=CCC4=C(C3CC5=C2C(=O)C(=CC5=O)I)C(=O)C(=CC4=O)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F16 compound treatment 0.445 0.0563 1.77 0.38 -0.0144 -0.43 0.9502 0.5214 2065717 ICCB6_000126 C/C(=C/CO)/C(O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F17 compound treatment 0.396 0.00734 0.23 0.389 -0.00544 -0.16 0.0493 0.1753 1952814 ICCB6_000127 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F18 compound treatment 0.375 -0.0137 -0.43 0.379 -0.0154 -0.46 -0.6271 -0.9995 2065718 ICCB6_000128 CC(C)[Si](OCC1OB(O)CC=C1C)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F19 compound treatment 0.388 -6.56E-4 -0.02 0.38 -0.0144 -0.43 -0.3171 -0.7404 1952785 ICCB6_000129 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F20 compound treatment 0.472 0.0833 2.62 0.388 -0.00644 -0.19 1.7182 0.6539 2065719 ICCB6_000130 OB1CC=C(C(O1)c2ccccc2)C(=C)COCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F21 compound treatment 0.378 -0.0107 -0.34 0.373 -0.0214 -0.64 -0.6861 -0.9553 3107360 ICCB6_000131 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F22 compound treatment 0.4 0.0113 0.36 0.391 -0.00344 -0.1 0.1802 0.4858 2065720 ICCB6_000132 OC/C=C(\C(O)c1ccccc1)/C(=C)COCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F23 mock treatment 0.365 -0.0237 -0.74 0.376 -0.0184 -0.55 -0.9123 -0.9885 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 F24 mock treatment 0.398 0.00934 0.29 0.392 -0.00244 -0.07 0.1567 0.5179 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G01 compound treatment 0.385 -0.00366 -0.11 0.404 0.00956 0.28 0.1191 0.3894 2065721 ICCB6_000133 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4cccs4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G02 compound treatment 0.385 -0.00366 -0.11 0.387 -0.00744 -0.22 -0.2371 -0.954 3057351 ICCB6_000134 CC(C)C[C@H](CI)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G03 compound treatment 0.403 0.0143 0.45 0.389 -0.00544 -0.16 0.205 0.428 2065722 ICCB6_000135 Clc1ccc(cc1)C(NP(=O)(c2ccccc2)c3ccccc3)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G04 compound treatment 0.373 -0.0157 -0.49 0.384 -0.0104 -0.31 -0.5668 -0.9749 3057353 ICCB6_000136 CC(C)(C)OC[C@@H](O)[C@H]1O[C@H](NO)C2OC(C)(C)OC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G05 compound treatment 0.38 -0.00866 -0.27 0.366 -0.0284 -0.84 -0.7883 -0.8902 2065723 ICCB6_000137 CCCCCCCNCC(=O)NC[C@H]1O[C@H](O[C@H]2O[C@H](CNC(=O)CCNCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G06 compound treatment 0.386 -0.00266 -0.08 0.377 -0.0174 -0.52 -0.4244 -0.8109 2065724 ICCB6_000138 CC(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G07 compound treatment 0.407 0.0183 0.58 0.38 -0.0144 -0.43 0.1053 0.1467 2065725 ICCB6_000139 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G08 compound treatment 0.483 0.0943 2.97 0.372 -0.0224 -0.66 1.6275 0.5353 2065726 ICCB6_000140 CC(C)(C)[Si](C)(C)OCC1=CC(C#C)N(C=C1)C(=O)c2ccccc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G09 compound treatment 0.457 0.0683 2.15 0.373 -0.0214 -0.64 1.0704 0.4777 2065727 ICCB6_000141 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G10 compound treatment 0.474 0.0853 2.68 0.382 -0.0124 -0.37 1.6369 0.6043 3057357 ICCB6_000142 OC(=O)c1[se]c2ccccc2c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G11 compound treatment 0.55 0.161 5.07 0.383 -0.0114 -0.34 3.3477 0.6584 1952478 ICCB6_000143 OCCCCCN(Cc1ccccc1Br)[C@@H](COCc2ccc3ccccc3c2Br)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G12 compound treatment 0.573 0.184 5.8 0.421 0.0266 0.79 4.6552 0.7958 3057359 ICCB6_000144 CC(C)(C)[Si](C)(C)OCC1=CC(C=C)N(C=C1)C(=O)c2[se]c3ccccc3c2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G13 compound treatment 0.559 0.17 5.36 0.377 -0.0174 -0.52 3.422 0.6359 1952284 ICCB6_000145 COC(=O)c1nc2oc1CC/C=C/CNC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G14 compound treatment 0.557 0.168 5.29 0.372 -0.0224 -0.66 3.2728 0.6135 2065728 ICCB6_000146 CCCCCC1C=C(CO[Si](C)(C)C(C)(C)C)C=CN1C(=O)c2ccccc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G15 compound treatment 0.553 0.164 5.17 0.396 0.00156 0.05 3.6867 0.7134 2065729 ICCB6_000147 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G16 compound treatment 0.491 0.102 3.22 0.38 -0.0144 -0.43 1.973 0.6078 2065730 ICCB6_000148 CC(C)(C)[Si](C)(C)Oc1cccc2C(C=C)N(C=Cc12)C(=O)c3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G17 compound treatment 0.442 0.0533 1.68 0.388 -0.00644 -0.19 1.0512 0.6227 1952760 ICCB6_000149 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G18 compound treatment 0.402 0.0133 0.42 0.384 -0.0104 -0.31 0.078 0.1496 2065731 ICCB6_000150 CC(=O)N[C@@H](CI)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G19 compound treatment 0.394 0.00534 0.17 0.393 -0.00144 -0.04 0.0887 0.5117 1952788 ICCB6_000151 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G20 compound treatment 0.373 -0.0157 -0.49 0.362 -0.0324 -0.96 -1.0278 -0.9517 2065732 ICCB6_000152 COc1cc2CCN(Cc3ccccc3Br)C(C=C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G21 compound treatment 0.383 -0.00566 -0.18 0.374 -0.0204 -0.61 -0.554 -0.8777 1952728 ICCB6_000153 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G22 compound treatment 0.37 -0.0187 -0.59 0.361 -0.0334 -0.99 -1.1154 -0.9687 2065733 ICCB6_000154 CN1C(=O)C2C(C1=O)C3(C4C(C5C=C(CCCO[Si](C)(C)C(C)(C)C)CC2N53)C(=O)N(C)C4=O)C(=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G23 mock treatment 0.374 -0.0147 -0.46 0.393 -0.00144 -0.04 -0.356 -0.7692 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 G24 mock treatment 0.381 -0.00766 -0.24 0.377 -0.0174 -0.52 -0.5356 -0.9396 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H01 compound treatment 0.392 0.00334 0.11 0.402 0.00756 0.22 0.2328 0.9405 2065734 ICCB6_000155 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4Cl)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H02 compound treatment 0.38 -0.00866 -0.27 0.377 -0.0174 -0.52 -0.5578 -0.9552 2065735 ICCB6_000156 CC(=C)C1=CCB(O)OC1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H03 compound treatment 0.366 -0.0227 -0.71 0.388 -0.00644 -0.19 -0.6386 -0.8659 2065736 ICCB6_000157 CC(C(NP(=O)(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H04 compound treatment 0.382 -0.00666 -0.21 0.402 0.00756 0.22 0.0105 0.0341 2065737 ICCB6_000158 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H05 compound treatment 0.372 -0.0167 -0.52 0.377 -0.0174 -0.52 -0.7357 -1.0 2065738 ICCB6_000159 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H06 compound treatment 0.376 -0.0127 -0.4 0.394 -4.37E-4 -0.01 -0.2906 -0.7298 2065739 ICCB6_000160 CC(=C)/C(=C/CO)/C(O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H07 compound treatment 0.407 0.0183 0.58 0.371 -0.0234 -0.69 -0.0832 -0.0922 2065740 ICCB6_000161 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C)N1C(=O)Cc4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H08 compound treatment 0.498 0.109 3.44 0.371 -0.0234 -0.69 1.9401 0.5531 2065741 ICCB6_000162 CC1=NC(C)(C)[C@@H]2CCC(=C)C1C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H09 compound treatment 0.533 0.144 4.54 0.383 -0.0114 -0.34 2.9697 0.6525 2065742 ICCB6_000163 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H10 compound treatment 0.543 0.154 4.85 0.394 -4.37E-4 -0.01 3.4225 0.7052 2065743 ICCB6_000164 C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H11 compound treatment 0.548 0.159 5.01 0.377 -0.0174 -0.52 3.1775 0.6308 1952534 ICCB6_000165 C[C@H](N)C(Oc1ccccc1Br)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H12 compound treatment 0.528 0.139 4.38 0.383 -0.0114 -0.34 2.8585 0.6505 2065744 ICCB6_000166 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H13 compound treatment 0.582 0.193 6.08 0.43 0.0356 1.05 5.0439 0.8175 1952286 ICCB6_000167 COC(=O)c1nc(oc1CCC=C)C(NC(=O)[C@H](Cc2cn(CC=C)cn2)NC(=O)OCc3ccccc3)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H14 compound treatment 0.528 0.139 4.38 0.375 -0.0194 -0.58 2.6909 0.6089 2065745 ICCB6_000168 CC(C)C[C@H]1NC(C)(C)C2CCC(=C)[C@H]1C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H15 compound treatment 0.546 0.157 4.95 0.389 -0.00544 -0.16 3.3844 0.6837 1952677 ICCB6_000169 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H16 compound treatment 0.507 0.118 3.72 0.374 -0.0204 -0.61 2.203 0.5843 2065746 ICCB6_000170 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H17 compound treatment 0.487 0.0983 3.09 0.378 -0.0164 -0.49 1.8422 0.5885 1952821 ICCB6_000171 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H18 compound treatment 0.459 0.0703 2.21 0.369 -0.0254 -0.75 1.031 0.4412 2065747 ICCB6_000172 COc1cc(C[C@H]2NC(C)(C)C3CCC(=C)[C@H]2C3)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H19 compound treatment 0.397 0.00834 0.26 0.38 -0.0144 -0.43 -0.117 -0.2331 1952600 ICCB6_000173 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H20 compound treatment 0.383 -0.00566 -0.18 0.378 -0.0164 -0.49 -0.4702 -0.9067 2065748 ICCB6_000174 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2C)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H21 compound treatment 0.376 -0.0127 -0.4 0.363 -0.0314 -0.93 -0.9401 -0.928 1952730 ICCB6_000175 O=c1cc(Cc2ccccc2)c3ccccc3o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H22 compound treatment 0.381 -0.00766 -0.24 0.378 -0.0164 -0.49 -0.5146 -0.9472 2065749 ICCB6_000176 CC1(C)N=C(/C=C/2\C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H23 mock treatment 0.373 -0.0157 -0.49 0.367 -0.0274 -0.81 -0.923 -0.9711 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 H24 mock treatment 0.399 0.0103 0.33 0.396 0.00156 0.05 0.2627 0.7997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I01 compound treatment 0.383 -0.00566 -0.18 0.397 0.00256 0.08 -0.0721 -0.3727 2065750 ICCB6_000177 COC(=O)[C@@H]1[C@H](N([C@H](c2ccccc2)[C@@]13C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I02 compound treatment 0.39 0.00134 0.04 0.393 -0.00144 -0.04 -2.0E-4 -0.004 2065751 ICCB6_000178 CC(C)(C)[Si](C)(C)OCCCC1=CC2C3C(C(=O)N(Cc4ccccc4)C3=O)C5(C6C(C(C1)N25)C(=O)N(Cc7ccccc7)C6=O)C(=O)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I03 compound treatment 0.39 0.00134 0.04 0.395 5.63E-4 0.02 0.0417 0.9173 2065752 ICCB6_000179 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Cl)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I04 compound treatment 0.373 -0.0157 -0.49 0.361 -0.0334 -0.99 -1.0487 -0.9479 2065753 ICCB6_000180 COc1cc(CN[C@@H](C)[C@H](Oc2ccccc2Br)c3ccccc3)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I05 compound treatment 0.383 -0.00566 -0.18 0.37 -0.0244 -0.72 -0.6378 -0.8554 2065754 ICCB6_000181 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I06 compound treatment 0.36 -0.0287 -0.9 0.356 -0.0384 -1.14 -1.4425 -0.9933 2065755 ICCB6_000182 COc1cc(CN[C@H]([C@H](O)c2ccccc2)c3ccccc3)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I07 compound treatment 0.428 0.0393 1.24 0.381 -0.0134 -0.4 0.5932 0.4565 2065756 ICCB6_000183 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I08 compound treatment 0.493 0.104 3.28 0.375 -0.0194 -0.58 1.9127 0.5742 2065757 ICCB6_000184 COc1cc(CN(Cc2ccccc2Br)[C@H]([C@H](O)c3ccccc3)c4ccccc4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I09 compound treatment 0.519 0.13 4.1 0.384 -0.0104 -0.31 2.6794 0.6519 2065758 ICCB6_000185 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I10 compound treatment 0.534 0.145 4.57 0.377 -0.0174 -0.52 2.8662 0.6232 2065759 ICCB6_000186 COc1cc(CN(Cc2ccccc2Br)[C@H](C)C(Oc3ccccc3Br)c4ccccc4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I11 compound treatment 0.542 0.153 4.82 0.373 -0.0214 -0.64 2.9603 0.6087 1952544 ICCB6_000187 O=C1Nc2ccccc2[C@@]31[C@@H](C#N)C4N([C@H]3c5ccccc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I12 compound treatment 0.556 0.167 5.26 0.383 -0.0114 -0.34 3.4811 0.6602 2065760 ICCB6_000188 COc1cc(CN(Cc2ccccc2Br)[C@H](C(Oc3ccccc3Br)c4ccccc4)c5ccccc5)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I13 compound treatment 0.557 0.168 5.29 0.394 -4.37E-4 -0.01 3.7338 0.7054 1952288 ICCB6_000189 COC(=O)c1nc2oc1CC/C=C/Cn3cnc(C[C@H](NC(=O)OCc4ccccc4)C(=O)NC2C(C)C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I14 compound treatment 0.54 0.151 4.76 0.401 0.00656 0.19 3.5025 0.7354 2065761 ICCB6_000190 C[C@@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I15 compound treatment 0.42 0.0313 0.99 0.379 -0.0154 -0.46 0.3734 0.3437 1952679 ICCB6_000191 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I16 compound treatment 0.511 0.122 3.85 0.389 -0.00544 -0.16 2.6062 0.6769 2065762 ICCB6_000192 C[C@H](C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I17 compound treatment 0.476 0.0873 2.75 0.385 -0.00944 -0.28 1.7443 0.6318 1952823 ICCB6_000193 C#Cc1ccccc1Oc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I18 compound treatment 0.451 0.0623 1.96 0.386 -0.00844 -0.25 1.2094 0.612 2065763 ICCB6_000194 C[C@H](C(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I19 compound treatment 0.428 0.0393 1.24 0.426 0.0316 0.94 1.5361 0.9905 1952601 ICCB6_000195 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4cccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I20 compound treatment 0.399 0.0103 0.33 0.394 -4.37E-4 -0.01 0.2208 0.6784 2065764 ICCB6_000196 C[C@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I21 compound treatment 0.409 0.0203 0.64 0.415 0.0206 0.61 0.8832 0.9997 1952746 ICCB6_000197 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I22 compound treatment 0.374 -0.0147 -0.46 0.385 -0.00944 -0.28 -0.5236 -0.9713 2065765 ICCB6_000198 C[C@@H]([C@@H](Oc1ccccc1Br)c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I23 mock treatment 0.385 -0.00366 -0.11 0.385 -0.00944 -0.28 -0.279 -0.9229 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 I24 mock treatment 0.385 -0.00366 -0.11 0.404 0.00956 0.28 0.1191 0.3894 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J01 compound treatment 0.428 0.0393 1.24 0.436 0.0416 1.23 1.7456 1.0 2065766 ICCB6_000199 COC(=O)C1=CN([C@H](c2ccccc2)[C@]31C(=O)N(Cc4ccccc4)c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J02 compound treatment 0.386 -0.00266 -0.08 0.392 -0.00244 -0.07 -0.1101 -0.9974 2065767 ICCB6_000200 CC1(C)N[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC1CCC4=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J03 compound treatment 0.371 -0.0177 -0.56 0.387 -0.00744 -0.22 -0.5484 -0.9181 2065768 ICCB6_000201 CCOC(=O)[C@H]1N(C(C(=C1C(=O)OC)C(=O)OC)c2ccc(Br)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J04 compound treatment 0.368 -0.0207 -0.65 0.38 -0.0144 -0.43 -0.7618 -0.9795 2065769 ICCB6_000202 CN1[C@H](CC2C(=O)Nc3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J05 compound treatment 0.379 -0.00966 -0.3 0.38 -0.0144 -0.43 -0.5172 -0.9859 2065770 ICCB6_000203 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J06 compound treatment 0.373 -0.0157 -0.49 0.384 -0.0104 -0.31 -0.5668 -0.9749 2065771 ICCB6_000204 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J07 compound treatment 0.421 0.0323 1.02 0.386 -0.00844 -0.25 0.5423 0.5179 2065772 ICCB6_000205 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J08 compound treatment 0.48 0.0913 2.87 0.373 -0.0214 -0.64 1.5818 0.5377 2065773 ICCB6_000206 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J09 compound treatment 0.506 0.117 3.69 0.395 5.63E-4 0.02 2.6208 0.7103 2065774 ICCB6_000207 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](CC(C)C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J10 compound treatment 0.498 0.109 3.44 0.427 0.0326 0.96 3.1134 0.8719 2065775 ICCB6_000208 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J11 compound treatment 0.506 0.117 3.69 0.352 -0.0424 -1.26 1.7198 0.4412 2065776 ICCB6_000209 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J12 compound treatment 0.464 0.0753 2.37 0.38 -0.0144 -0.43 1.3727 0.5702 2065777 ICCB6_000210 OCCOc1cccc(c1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J13 compound treatment 0.55 0.161 5.07 0.404 0.00956 0.28 3.7877 0.7454 1952295 ICCB6_000211 COC(=O)c1nc(oc1CC(=O)CCl)C(NC(=O)NC(=O)OC(C)(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J14 compound treatment 0.544 0.155 4.88 0.373 -0.0214 -0.64 3.0047 0.61 2065778 ICCB6_000212 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J15 compound treatment 0.501 0.112 3.53 0.377 -0.0174 -0.52 2.1325 0.5973 1952690 ICCB6_000213 COC(=O)CC(C(=O)OC)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J16 compound treatment 0.465 0.0763 2.4 0.376 -0.0184 -0.55 1.3111 0.5326 2065779 ICCB6_000214 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC(C(=O)OC)C(=O)OC)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J17 compound treatment 0.473 0.0843 2.65 0.379 -0.0154 -0.46 1.5518 0.5766 1952825 ICCB6_000215 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J18 compound treatment 0.44 0.0513 1.61 0.377 -0.0174 -0.52 0.7762 0.4579 2065780 ICCB6_000216 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J19 compound treatment 0.416 0.0273 0.86 0.415 0.0206 0.61 1.0388 0.9858 1952605 ICCB6_000217 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J20 compound treatment 0.388 -6.56E-4 -0.02 0.387 -0.00744 -0.22 -0.1704 -0.7699 2065781 ICCB6_000218 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J21 compound treatment 0.373 -0.0157 -0.49 0.375 -0.0194 -0.58 -0.7554 -0.9969 3005760 ICCB6_000219 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J22 compound treatment 0.365 -0.0237 -0.74 0.39 -0.00444 -0.13 -0.6189 -0.8194 2065782 ICCB6_000220 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCNC(=O)N)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J23 mock treatment 0.367 -0.0217 -0.68 0.369 -0.0254 -0.75 -1.0145 -0.9987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 J24 mock treatment 0.399 0.0103 0.33 0.396 0.00156 0.05 0.2627 0.7997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K01 compound treatment 0.392 0.00334 0.11 0.402 0.00756 0.22 0.2328 0.9405 2065783 ICCB6_000221 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K02 compound treatment 0.383 -0.00566 -0.18 0.398 0.00356 0.11 -0.0511 -0.2472 2065784 ICCB6_000222 CC(Oc1ccccc1Br)[C@H](N(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K03 compound treatment 0.364 -0.0247 -0.78 0.381 -0.0134 -0.4 -0.8298 -0.952 2065785 ICCB6_000223 COC(=O)C(C(c1ccc(OC)cc1)[Si](C)(C)c2ccccc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K04 compound treatment 0.393 0.00434 0.14 0.394 -4.37E-4 -0.01 0.0874 0.6371 2065786 ICCB6_000224 C[C@H](C(Oc1ccccc1[N+](=O)[O-])c2ccccc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K05 compound treatment 0.364 -0.0247 -0.78 0.397 0.00256 0.08 -0.4945 -0.6348 2065787 ICCB6_000225 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K06 compound treatment 0.448 0.0593 1.87 0.436 0.0416 1.23 2.1903 0.9797 2065788 ICCB6_000226 COc1cc(/C=C/C=O)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K07 compound treatment 0.407 0.0183 0.58 0.427 0.0326 0.96 1.0901 0.9697 2065789 ICCB6_000227 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)CCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K08 compound treatment 0.428 0.0393 1.24 0.416 0.0216 0.64 1.3266 0.9527 2065790 ICCB6_000228 COc1cc(/C=C/CN[C@H](C)[C@@H](O)c2ccccc2)ccc1O[Si](C(C)C)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K09 compound treatment 0.462 0.0733 2.31 0.389 -0.00544 -0.16 1.5168 0.6561 2065791 ICCB6_000229 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](CC(C)C)N1C(=O)Cc4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K10 compound treatment 0.455 0.0663 2.09 0.382 -0.0124 -0.37 1.2145 0.5733 2065792 ICCB6_000230 CC(C)[Si](OCC1CCC=CC1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K11 compound treatment 0.538 0.149 4.7 0.39 -0.00444 -0.13 3.2275 0.687 1034979 ICCB6_000231 c1c(cn2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K12 compound treatment 0.512 0.123 3.88 0.38 -0.0144 -0.43 2.4399 0.6253 2065793 ICCB6_000232 CC1(C)COC(=O)C1OC(=O)C2CC3CCC2C=C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K13 compound treatment 0.55 0.161 5.07 0.408 0.0136 0.4 3.8715 0.7607 1952379 ICCB6_000233 CC(C)[Si](OCc1ccc(C=O)o1)(C(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K14 compound treatment 0.421 0.0323 1.02 0.38 -0.0144 -0.43 0.4166 0.3776 2065794 ICCB6_000234 OCC1CC2CCC1C=C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K15 compound treatment 0.5 0.111 3.5 0.378 -0.0164 -0.49 2.1312 0.6029 1952707 ICCB6_000235 CCCCSc1cc(=O)oc2cc(OC)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K16 compound treatment 0.504 0.115 3.63 0.425 0.0306 0.91 3.2049 0.8573 2065795 ICCB6_000236 Ic1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K17 compound treatment 0.49 0.101 3.19 0.407 0.0126 0.37 2.5165 0.7844 1952828 ICCB6_000237 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K18 compound treatment 0.374 -0.0147 -0.46 0.375 -0.0194 -0.58 -0.7331 -0.9939 2065796 ICCB6_000238 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3cccnc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K19 compound treatment 0.389 3.44E-4 0.01 0.379 -0.0154 -0.46 -0.3158 -0.6902 1952608 ICCB6_000239 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCc3ccccc3OC)O2)O1)OC(=O)NCc4cccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K20 compound treatment 0.385 -0.00366 -0.11 0.375 -0.0194 -0.58 -0.4886 -0.8318 2065797 ICCB6_000240 C=CCOC(=O)[C@H]1[C@H]2N([C@@H](c3ccco3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K21 compound treatment 0.382 -0.00666 -0.21 0.371 -0.0234 -0.69 -0.6391 -0.8811 3005761 ICCB6_000241 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K22 compound treatment 0.422 0.0333 1.05 0.431 0.0366 1.08 1.5074 0.9999 2065798 ICCB6_000242 Ic1ccc2NC(=O)/C(=C/C#N)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K23 mock treatment 0.371 -0.0177 -0.56 0.379 -0.0154 -0.46 -0.716 -0.9954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 K24 mock treatment 0.4 0.0113 0.36 0.398 0.00356 0.11 0.3269 0.8787 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L01 compound treatment 0.403 0.0143 0.45 0.428 0.0336 0.99 1.0221 0.936 2065799 ICCB6_000243 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L02 compound treatment 0.376 -0.0127 -0.4 0.38 -0.0144 -0.43 -0.5839 -0.9993 2065800 ICCB6_000244 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#Cc6ccccc6F)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L03 compound treatment 0.373 -0.0157 -0.49 0.386 -0.00844 -0.25 -0.5249 -0.9506 2065801 ICCB6_000245 COC(=O)C(C(c1ccco1)[Si](C)(C)c2ccccc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L04 compound treatment 0.363 -0.0257 -0.81 0.382 -0.0124 -0.37 -0.831 -0.937 2065802 ICCB6_000246 CCCCC[C@H](O)C#Cc1ccc2NC(=O)[C@@]3([C@H](C4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N(C)OC)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L05 compound treatment 0.394 0.00534 0.17 0.396 0.00156 0.05 0.1516 0.8695 2065803 ICCB6_000247 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L06 compound treatment 0.381 -0.00766 -0.24 0.38 -0.0144 -0.43 -0.4727 -0.963 2065804 ICCB6_000248 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)[C@H](C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L07 compound treatment 0.386 -0.00266 -0.08 0.389 -0.00544 -0.16 -0.173 -0.9532 2065805 ICCB6_000249 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L08 compound treatment 0.381 -0.00766 -0.24 0.39 -0.00444 -0.13 -0.2632 -0.9595 2065806 ICCB6_000250 OCCOc1ccc(cc1)C2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L09 compound treatment 0.422 0.0333 1.05 0.394 -4.37E-4 -0.01 0.7322 0.6983 2065807 ICCB6_000251 CCOC(=O)CC1[C@@H]2[C@@H](NCc3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L10 compound treatment 0.414 0.0253 0.8 0.38 -0.0144 -0.43 0.261 0.2886 2065808 ICCB6_000252 CON(C)C(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(I)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L11 compound treatment 0.471 0.0823 2.59 0.381 -0.0134 -0.4 1.5493 0.5914 2065809 ICCB6_000253 COC(=O)Cc1cn[nH]c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L12 compound treatment 0.451 0.0623 1.96 0.375 -0.0194 -0.58 0.9789 0.4791 2065810 ICCB6_000254 CCOC(=O)[C@H]1[C@H]2N(C(c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(Br)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L13 compound treatment 0.496 0.107 3.38 0.418 0.0236 0.7 2.8804 0.8357 1952411 ICCB6_000255 CC(C)[Si](OCc1ccc(o1)[C@@H](O)[C@H](C)C(=O)N2[C@@H](C)[C@H](OC2=O)c3ccccc3)(C(C)C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L14 compound treatment 0.43 0.0413 1.3 0.383 -0.0114 -0.34 0.6796 0.5059 2065811 ICCB6_000256 OCCOc1ccc(cc1)C2N3[C@H]([C@H](C(=O)OCC=C)[C@@]24C(=O)Nc5ccc(Br)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L15 compound treatment 0.39 0.00134 0.04 0.384 -0.0104 -0.31 -0.1888 -0.6049 1952793 ICCB6_000257 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L16 compound treatment 0.405 0.0163 0.51 0.37 -0.0244 -0.72 -0.1486 -0.1674 2065812 ICCB6_000258 CON(C)C(=O)[C@H]1C2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L17 compound treatment 0.378 -0.0107 -0.34 0.376 -0.0184 -0.55 -0.6232 -0.9725 1952829 ICCB6_000259 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L18 compound treatment 0.384 -0.00466 -0.15 0.401 0.00656 0.19 0.034 0.1396 2065813 ICCB6_000260 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)OCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L19 compound treatment 0.38 -0.00866 -0.27 0.382 -0.0124 -0.37 -0.4531 -0.9889 1952582 ICCB6_000261 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]2C[C@H](C[C@@]3(CCC[C@H](COC(=O)NCCOC)O3)O2)OC(=O)NCc4cccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L20 compound treatment 0.383 -0.00566 -0.18 0.381 -0.0134 -0.4 -0.4073 -0.934 2065814 ICCB6_000262 CON(C)C(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(Br)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L21 compound treatment 0.38 -0.00866 -0.27 0.371 -0.0234 -0.69 -0.6835 -0.9164 1952748 ICCB6_000263 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L22 compound treatment 0.372 -0.0167 -0.52 0.383 -0.0114 -0.34 -0.61 -0.9778 2065815 ICCB6_000264 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L23 mock treatment 0.368 -0.0207 -0.65 0.389 -0.00544 -0.16 -0.5732 -0.8566 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 L24 mock treatment 0.403 0.0143 0.45 0.404 0.00956 0.28 0.5193 0.9749 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M01 compound treatment 0.42 0.0313 0.99 0.404 0.00956 0.28 0.8973 0.875 2065816 ICCB6_000265 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccccc3)c4ccccc4)C(=O)N(C(=O)C)c5ccc(Cl)cc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M02 compound treatment 0.389 3.44E-4 0.01 0.402 0.00756 0.22 0.1661 0.7404 2065817 ICCB6_000266 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M03 compound treatment 0.372 -0.0167 -0.52 0.374 -0.0204 -0.61 -0.7986 -0.9974 2065818 ICCB6_000267 COc1ccc(cc1)C(CC(=O)c2ccccc2)[Si](C)(C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M04 compound treatment 0.411 0.0223 0.7 0.415 0.0206 0.61 0.9276 0.9975 2065819 ICCB6_000268 OCc1ccc(o1)[C@@H]2N3[C@H]([C@H](C#N)[C@@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M05 compound treatment 0.382 -0.00666 -0.21 0.385 -0.00944 -0.28 -0.3457 -0.9898 2065820 ICCB6_000269 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M06 compound treatment 0.431 0.0423 1.33 0.423 0.0286 0.85 1.5399 0.9761 2065821 ICCB6_000270 COC(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M07 compound treatment 0.388 -6.56E-4 -0.02 0.389 -0.00544 -0.16 -0.1285 -0.7912 2065822 ICCB6_000271 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M08 compound treatment 0.376 -0.0127 -0.4 0.382 -0.0124 -0.37 -0.542 -0.9993 2065823 ICCB6_000272 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCC4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M09 compound treatment 0.371 -0.0177 -0.56 0.394 -4.37E-4 -0.01 -0.4017 -0.7234 2065824 ICCB6_000273 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](Cc4ccccc4)N1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M10 compound treatment 0.378 -0.0107 -0.34 0.402 0.00756 0.22 -0.0785 -0.1947 2065825 ICCB6_000274 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCc4ccccc4)[C@]25C(=O)Nc6ccc(I)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M11 compound treatment 0.378 -0.0107 -0.34 0.374 -0.0204 -0.61 -0.6652 -0.961 2065826 ICCB6_000275 CC(C(=O)O)c1ccccc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M12 compound treatment 0.384 -0.00466 -0.15 0.38 -0.0144 -0.43 -0.406 -0.898 2065827 ICCB6_000276 OCCNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(I)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M13 compound treatment 0.4 0.0113 0.36 0.393 -0.00144 -0.04 0.2221 0.6183 1952416 ICCB6_000277 Clc1c(Cl)c(Cl)c(OCc2ccccc2)c(Cl)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M14 compound treatment 0.387 -0.00166 -0.05 0.393 -0.00144 -0.04 -0.0669 -0.995 2065828 ICCB6_000278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M15 compound treatment 0.364 -0.0247 -0.78 0.395 5.63E-4 0.02 -0.5364 -0.6917 1952795 ICCB6_000279 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M16 compound treatment 0.378 -0.0107 -0.34 0.392 -0.00244 -0.07 -0.288 -0.8402 2065829 ICCB6_000280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)C(C(OC3=O)c5ccccc5)c6ccccc6)C(=O)N(C)OC)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M17 compound treatment 0.379 -0.00966 -0.3 0.372 -0.0224 -0.66 -0.6848 -0.9369 1952832 ICCB6_000281 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M18 compound treatment 0.389 3.44E-4 0.01 0.376 -0.0184 -0.55 -0.3787 -0.693 3176523 ICCB6_000282 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCC(C)C)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M19 compound treatment 0.381 -0.00766 -0.24 0.387 -0.00744 -0.22 -0.3261 -0.999 1952627 ICCB6_000283 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCC(C)C)O2)O1)OC(=O)NCc3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M20 compound treatment 0.376 -0.0127 -0.4 0.38 -0.0144 -0.43 -0.5839 -0.9993 3056713 ICCB6_000284 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@@H](C(C)C)C(=O)OC)c5ccc(C#CC6(O)CCCCCC6)cc54)C(C(OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M21 compound treatment 0.413 0.0243 0.77 0.416 0.0216 0.64 0.993 0.996 1107217 ICCB6_000285 Cc1cccnc1I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M22 compound treatment 0.383 -0.00566 -0.18 0.41 0.0156 0.46 0.2003 0.4053 3176524 ICCB6_000286 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)N[C@H](C)c5ccccc5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M23 mock treatment 0.377 -0.0117 -0.37 0.395 5.63E-4 0.02 -0.2474 -0.6743 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 M24 mock treatment 0.394 0.00534 0.17 0.411 0.0166 0.49 0.4658 0.898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N01 compound treatment 0.39 0.00134 0.04 0.384 -0.0104 -0.31 -0.1888 -0.6049 2065830 ICCB6_000287 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3ccc(Cl)cc3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N02 compound treatment 0.381 -0.00766 -0.24 0.377 -0.0174 -0.52 -0.5356 -0.9396 2065831 ICCB6_000288 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCN(C)Cc6ccccc6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N03 compound treatment 0.401 0.0123 0.39 0.406 0.0116 0.34 0.5167 0.9981 2065832 ICCB6_000289 C[Si](C)(F)C(CC(=O)c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N04 compound treatment 0.383 -0.00566 -0.18 0.38 -0.0144 -0.43 -0.4283 -0.9244 2065833 ICCB6_000290 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N(C)OC)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N05 compound treatment 0.383 -0.00566 -0.18 0.383 -0.0114 -0.34 -0.3654 -0.9547 2065834 ICCB6_000291 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)CN1C(=O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N06 compound treatment 0.403 0.0143 0.45 0.401 0.00656 0.19 0.4564 0.9293 2065835 ICCB6_000292 CC1(C)N[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC1CCC4=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N07 compound treatment 0.385 -0.00366 -0.11 0.384 -0.0104 -0.31 -0.3 -0.9092 2065836 ICCB6_000293 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)[C@H](C(C)C)N1C(=O)Cc4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N08 compound treatment 0.395 0.00634 0.2 0.396 0.00156 0.05 0.1738 0.8487 2065837 ICCB6_000294 CN1[C@H](Cc2c[nH]c3ccccc23)[C@@H]4CC(CCC4=C)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N09 compound treatment 0.374 -0.0147 -0.46 0.389 -0.00544 -0.16 -0.4398 -0.9009 2065838 ICCB6_000295 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)CCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N10 compound treatment 0.381 -0.00766 -0.24 0.392 -0.00244 -0.07 -0.2213 -0.8805 2065839 ICCB6_000296 Cc1ccc(cc1)S(=O)(=O)N[C@H]2CC3CCC2(C)C3(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N11 compound treatment 0.374 -0.0147 -0.46 0.375 -0.0194 -0.58 -0.7331 -0.9939 2065840 ICCB6_000297 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N12 compound treatment 0.37 -0.0187 -0.59 0.389 -0.00544 -0.16 -0.5287 -0.8691 2065841 ICCB6_000298 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCC6CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N13 compound treatment 0.368 -0.0207 -0.65 0.383 -0.0114 -0.34 -0.6989 -0.954 1952445 ICCB6_000299 Clc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(CNC(=O)OCc5ccccc5)cc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N14 compound treatment 0.379 -0.00966 -0.3 0.393 -0.00144 -0.04 -0.2448 -0.7985 2065842 ICCB6_000300 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N15 compound treatment 0.393 0.00434 0.14 0.387 -0.00744 -0.22 -0.0593 -0.2285 1952801 ICCB6_000301 Oc1ccccc1C#Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N16 compound treatment 0.381 -0.00766 -0.24 0.38 -0.0144 -0.43 -0.4727 -0.963 2065843 ICCB6_000302 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N17 compound treatment 0.397 0.00834 0.26 0.422 0.0276 0.82 0.763 0.8895 1952836 ICCB6_000303 CC(=O)c1ccc2oc(cc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N18 compound treatment 0.393 0.00434 0.14 0.392 -0.00244 -0.07 0.0455 0.2945 2065844 ICCB6_000304 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N19 compound treatment 0.378 -0.0107 -0.34 0.39 -0.00444 -0.13 -0.3299 -0.9165 1952631 ICCB6_000305 CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3cccc(c3)C(F)(F)F)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N20 compound treatment 0.374 -0.0147 -0.46 0.372 -0.0224 -0.66 -0.796 -0.984 2065845 ICCB6_000306 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N21 compound treatment 0.371 -0.0177 -0.56 0.383 -0.0114 -0.34 -0.6322 -0.972 3005761 ICCB6_000307 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N22 compound treatment 0.383 -0.00566 -0.18 0.387 -0.00744 -0.22 -0.2816 -0.9943 2065846 ICCB6_000308 CN(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)Cc8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N23 mock treatment 0.387 -0.00166 -0.05 0.391 -0.00344 -0.1 -0.1088 -0.9515 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 N24 mock treatment 0.401 0.0123 0.39 0.406 0.0116 0.34 0.5167 0.9981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O01 compound treatment 0.412 0.0233 0.73 0.417 0.0226 0.67 0.9918 0.9989 2065847 ICCB6_000309 CCOC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2([C@H](N1c3cccc(F)c3)c4ccccc4)C(=O)N(Cc5ccccc5)c6ccccc62 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O02 compound treatment 0.383 -0.00566 -0.18 0.396 0.00156 0.05 -0.093 -0.5062 3176588 ICCB6_000310 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)NCc5ccc(Cl)c(Cl)c5)c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O03 compound treatment 0.387 -0.00166 -0.05 0.407 0.0126 0.37 0.2264 0.6023 2065848 ICCB6_000311 Cc1ccc(cc1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O04 compound treatment 0.375 -0.0137 -0.43 0.388 -0.00644 -0.19 -0.4385 -0.9333 3176589 ICCB6_000312 CON(C)C(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)N(C(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccc(C#CC7(O)CCCCCC7)cc64)C(C(OC2=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O05 compound treatment 0.392 0.00334 0.11 0.397 0.00256 0.08 0.128 0.9872 2065849 ICCB6_000313 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)CCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O06 compound treatment 0.387 -0.00166 -0.05 0.395 5.63E-4 0.02 -0.025 -0.4579 2065850 ICCB6_000314 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(Br)cc4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O07 compound treatment 0.392 0.00334 0.11 0.396 0.00156 0.05 0.1071 0.9321 2065851 ICCB6_000315 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O08 compound treatment 0.413 0.0243 0.77 0.415 0.0206 0.61 0.9721 0.9936 2065852 ICCB6_000316 COc1cc(C[C@@H]2[C@@H]3CC(CCC3=C)C(C)(C)N2N=Nc4ccc(cc4)[N+](=O)[O-])cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O09 compound treatment 0.4 0.0113 0.36 0.397 0.00256 0.08 0.3059 0.8388 2065853 ICCB6_000317 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O10 compound treatment 0.383 -0.00566 -0.18 0.4 0.00556 0.16 -0.0092 -0.038 2065854 ICCB6_000318 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O11 compound treatment 0.38 -0.00866 -0.27 0.403 0.00856 0.25 -0.0131 -0.0351 2065855 ICCB6_000319 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O12 compound treatment 0.39 0.00134 0.04 0.413 0.0186 0.55 0.4188 0.7592 2065856 ICCB6_000320 CC(C)C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O13 compound treatment 0.392 0.00334 0.11 0.388 -0.00644 -0.19 -0.0605 -0.2779 1952450 ICCB6_000321 CCOC(=O)C(O)C(O)c1ccc(CO[Si](C(C)C)(C(C)C)c2ccccc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O14 compound treatment 0.398 0.00934 0.29 0.401 0.00656 0.19 0.3453 0.9799 2065857 ICCB6_000322 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O15 compound treatment 0.408 0.0193 0.61 0.413 0.0186 0.55 0.819 0.9987 1952761 ICCB6_000323 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O16 compound treatment 0.413 0.0243 0.77 0.421 0.0266 0.79 1.0978 0.9999 2065858 ICCB6_000324 C[C@@H]1[C@@H]2CC(CCC2=C)C(C)(C)N1N=Nc3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O17 compound treatment 0.431 0.0423 1.33 0.432 0.0376 1.11 1.7285 0.996 1952837 ICCB6_000325 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O18 compound treatment 0.432 0.0433 1.36 0.439 0.0446 1.32 1.8974 0.9999 2065859 ICCB6_000326 CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](OC(=O)/C=C/C=C/C)[C@H]1OC(=O)/C=C/C=C/C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O19 compound treatment 0.406 0.0173 0.55 0.425 0.0306 0.91 1.026 0.9705 1952633 ICCB6_000327 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O20 compound treatment 0.399 0.0103 0.33 0.401 0.00656 0.19 0.3675 0.9698 2065860 ICCB6_000328 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O21 compound treatment 0.403 0.0143 0.45 0.433 0.0386 1.14 1.1269 0.9173 1952755 ICCB6_000329 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O22 compound treatment 0.39 0.00134 0.04 0.399 0.00456 0.14 0.1255 0.8858 2065861 ICCB6_000330 C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC=C)C(C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O23 mock treatment 0.397 0.00834 0.26 0.416 0.0216 0.64 0.6373 0.9227 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 O24 mock treatment 0.41 0.0213 0.67 0.429 0.0346 1.02 1.1987 0.979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P01 compound treatment 0.441 0.0523 1.65 0.433 0.0386 1.14 1.9718 0.9841 2065862 ICCB6_000331 CC1(C)OCC2=C(CC(CCc3ccccc3)OC2CCc4ccccc4)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P02 compound treatment 0.416 0.0273 0.86 0.415 0.0206 0.61 1.0388 0.9858 2065863 ICCB6_000332 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(I)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P03 compound treatment 0.408 0.0193 0.61 0.419 0.0246 0.73 0.9447 0.996 2065864 ICCB6_000333 C1CCC(CC1)c2c(cc(c3ccccc3)n2c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P04 compound treatment 0.404 0.0153 0.48 0.408 0.0136 0.4 0.6253 0.9959 2065865 ICCB6_000334 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P05 compound treatment 0.398 0.00934 0.29 0.414 0.0196 0.58 0.6176 0.9504 2065866 ICCB6_000335 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)C(C)C)c3cc(OCCCO)ccc3N2C(=O)CN1C(=O)Cc4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P06 compound treatment 0.395 0.00634 0.2 0.405 0.0106 0.31 0.3624 0.9763 2065867 ICCB6_000336 CCCCOc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P07 compound treatment 0.392 0.00334 0.11 0.41 0.0156 0.46 0.4004 0.8466 2065868 ICCB6_000337 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](C(C)C)N1C(=O)Cc5ccc(OC)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P08 compound treatment 0.396 0.00734 0.23 0.431 0.0366 1.08 0.9294 0.839 2065869 ICCB6_000338 C[C@H](Cc1ccccc1)N(C)CC#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P09 compound treatment 0.399 0.0103 0.33 0.398 0.00356 0.11 0.3046 0.8909 2065870 ICCB6_000339 CCOC(=O)CC1[C@@H]2[C@@H](NC(=O)c3ccccc3)c4cc(OCCCO)ccc4N2C(=O)[C@H](Cc5ccccc5)N1C(=O)Cc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P10 compound treatment 0.376 -0.0127 -0.4 0.411 0.0166 0.49 0.0656 0.1039 2065871 ICCB6_000340 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P11 compound treatment 0.434 0.0453 1.43 0.454 0.0596 1.76 2.2562 0.9944 2065872 ICCB6_000341 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P12 compound treatment 0.402 0.0133 0.42 0.394 -4.37E-4 -0.01 0.2875 0.6849 2065873 ICCB6_000342 CCOC(OCC)C#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P13 compound treatment 0.421 0.0323 1.02 0.432 0.0376 1.11 1.5062 0.999 2065874 ICCB6_000343 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P14 compound treatment 0.454 0.0653 2.05 0.469 0.0746 2.21 3.0151 0.9993 2065875 ICCB6_000344 Brc1ccc2NC(=O)/C(=C/C(=O)OCC=C)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P15 compound treatment 0.42 0.0313 0.99 0.418 0.0236 0.7 1.1906 0.9857 1952804 ICCB6_000345 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P16 compound treatment 0.455 0.0663 2.09 0.458 0.0636 1.88 2.8069 0.9987 2065876 ICCB6_000346 CCOC(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P17 compound treatment 0.408 0.0193 0.61 0.416 0.0216 0.64 0.8819 0.9997 1952838 ICCB6_000347 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P18 compound treatment 0.468 0.0793 2.49 0.467 0.0726 2.15 3.2845 0.9973 2065877 ICCB6_000348 O=C(/C=C\1/C(=O)Nc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P19 compound treatment 0.44 0.0513 1.61 0.445 0.0506 1.5 2.201 0.9993 1952634 ICCB6_000349 COC(=O)[C@H](C)NC(=O)CC[C@@H]1C[C@H](C[C@@]2(CCC[C@H](COC(=O)NCCOc3ccccc3)O2)O1)OC(=O)NCc4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P20 compound treatment 0.467 0.0783 2.46 0.484 0.0896 2.65 3.6185 0.9993 2065878 ICCB6_000350 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(Br)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P21 compound treatment 0.389 3.44E-4 0.01 0.408 0.0136 0.4 0.2918 0.7259 1952770 ICCB6_000351 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P22 compound treatment 0.46 0.0713 2.24 0.476 0.0816 2.42 3.2952 0.9993 2065879 ICCB6_000352 CON(C)C(=O)/C=C\1/C(=O)Nc2ccc(I)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P23 mock treatment 0.409 0.0203 0.64 0.409 0.0146 0.43 0.7574 0.9816 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.1463 P24 mock treatment 0.414 0.0253 0.8 0.459 0.0646 1.91 1.9162 0.9246 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A01 compound treatment 0.429 0.0245 0.77 0.416 0.0155 0.46 0.8695 0.9695 1205993 ChemDiv3_000001 Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A02 compound treatment 0.417 0.0125 0.39 0.417 0.0165 0.49 0.6236 0.9941 1044707 ChemDiv3_000002 OC(=O)c1ccccc1C(=O)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A03 compound treatment 0.428 0.0235 0.74 0.433 0.0325 0.96 1.2035 0.9914 1699093 ChemDiv3_000003 Cc1ccc(Nc2ccc3ncnc4-c5ccccc5C(=O)c2c43)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A04 compound treatment 0.385 -0.0195 -0.61 0.4 -5.0E-4 -0.01 -0.444 -0.724 3117569 ChemDiv3_000004 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A05 compound treatment 0.449 0.0445 1.4 0.459 0.0585 1.73 2.2151 0.9944 1561677 ChemDiv3_000005 CCOC(=O)c1c(O)nc2c3ccccc3oc2c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A06 compound treatment 0.403 -0.0015 -0.05 0.415 0.0145 0.43 0.2705 0.6257 3117570 ChemDiv3_000006 CN(C)C(=O)C[n+]1ccc(/C=N/O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A07 compound treatment 0.422 0.0175 0.55 0.417 0.0165 0.49 0.7348 0.9983 1166193 ChemDiv3_000007 CCCC1CCC(CC1)c2ccc(cc2)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A08 compound treatment 0.38 -0.0245 -0.77 0.38 -0.0205 -0.61 -0.9743 -0.9931 3019825 ChemDiv3_000008 C(c1ccccc1)[n+]2ccc(cc2)c3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A09 compound treatment 0.421 0.0165 0.52 0.443 0.0425 1.26 1.2573 0.9231 1640201 ChemDiv3_000009 CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A10 compound treatment 0.457 0.0525 1.65 0.448 0.0475 1.41 2.1625 0.9969 1305993 ChemDiv3_000010 Cc1sc(N)nc1C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A11 compound treatment 0.41 0.0055 0.17 0.406 0.0055 0.16 0.2375 0.9996 3019826 ChemDiv3_000011 CCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CC)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A12 compound treatment 0.397 -0.0075 -0.24 0.402 0.0015 0.04 -0.1353 -0.5639 1005107 ChemDiv3_000012 CC(C)(C)C(=O)C[n+]1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A13 compound treatment 0.338 -0.0665 -2.09 0.377 -0.0235 -0.7 -1.9709 -0.8943 1917998 ChemDiv3_000013 CN(C)c1ccc(cc1)c2n(C)c3ccccc3[n+]2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A14 compound treatment 0.379 -0.0255 -0.8 0.391 -0.0095 -0.28 -0.766 -0.9014 3117571 ChemDiv3_000014 O/N=C/c1cc[n+](C/C=C\c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A15 compound treatment 0.441 0.0365 1.15 0.432 0.0315 0.93 1.4715 0.9947 1511477 ChemDiv3_000015 Cc1ccc(cc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A16 compound treatment 0.396 -0.0085 -0.27 0.39 -0.0105 -0.31 -0.409 -0.9971 1463254 ChemDiv3_000016 C(CN1CCOCC1)Oc2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A17 compound treatment 0.409 0.0045 0.14 0.431 0.0305 0.9 0.7391 0.808 1289110 ChemDiv3_000017 N#CC(=c1ccc(=C(C#N)c2ccc(cc2)N3CCCC3)cc1)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A18 compound treatment 0.407 0.0025 0.08 0.409 0.0085 0.25 0.2337 0.8857 1594677 ChemDiv3_000018 CC(C)CN(CC(C)C)Cn1c(=O)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A19 compound treatment 0.401 -0.0035 -0.11 0.403 0.0025 0.07 -0.0254 -0.1917 1914297 ChemDiv3_000019 COc1ccc(/C=N/n2cnnc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A20 compound treatment 0.412 0.0075 0.24 0.401 5.0E-4 0.01 0.1772 0.7501 1550111 ChemDiv3_000020 CC(C)C1CCC(C)C(C(O)c2ccc(cc2)c3ccccc3)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A21 compound treatment 0.448 0.0435 1.37 0.446 0.0455 1.35 1.9205 1.0 3019827 ChemDiv3_000021 CN(C)c1ccc(/C=C/C=C/c2cc[n+](C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A22 compound treatment 0.413 0.0085 0.27 0.393 -0.0075 -0.22 0.0318 0.0916 1470588 ChemDiv3_000022 Fc1ccccc1C(=O)Oc2cccc(OC(=O)c3ccccc3F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A23 mock treatment 0.394 -0.0105 -0.33 0.392 -0.0085 -0.25 -0.4116 -0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 A24 mock treatment 0.391 -0.0135 -0.42 0.392 -0.0085 -0.25 -0.4783 -0.9689 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B01 compound treatment 0.4 -0.0045 -0.14 0.407 0.0065 0.19 0.0361 0.1512 3117572 ChemDiv3_000023 COc1ccc(/C=N/c2ccc(OCC(O)CN3C(C)CCCC3C)cc2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B02 compound treatment 0.382 -0.0225 -0.71 0.393 -0.0075 -0.22 -0.6574 -0.8865 1476169 ChemDiv3_000024 CC(C)(C)NC(=O)C1(CC2CC3C1)CC(C2)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B03 compound treatment 0.393 -0.0115 -0.36 0.381 -0.0195 -0.58 -0.6643 -0.9745 1164812 ChemDiv3_000025 O(c1ccccc1)c2cccc(Oc3ccccc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B04 compound treatment 0.392 -0.0125 -0.39 0.413 0.0125 0.37 -0.016 -0.0297 3019828 ChemDiv3_000026 Brc1ccc(/C=N/C2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B05 compound treatment 0.435 0.0305 0.96 0.436 0.0355 1.05 1.422 0.9989 2083946 ChemDiv3_000027 O=C(/C=C/c1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B06 compound treatment 0.435 0.0305 0.96 0.43 0.0295 0.87 1.2962 0.9989 3117574 ChemDiv3_000028 CC1(CC2(C)CC3(C)C1)CC(C/N=C/c4ccc(O)cc4)(C2)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B07 compound treatment 0.389 -0.0155 -0.49 0.403 0.0025 0.07 -0.2922 -0.5928 1666537 ChemDiv3_000029 COC(=O)NCC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B08 compound treatment 0.409 0.0045 0.14 0.416 0.0155 0.46 0.4248 0.884 1021487 ChemDiv3_000030 C1CN(CCN1c2ccccn2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B09 compound treatment 0.402 -0.0025 -0.08 0.446 0.0455 1.35 0.8978 0.6648 3019829 ChemDiv3_000031 COc1ccc(/C=N/c2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B10 compound treatment 0.392 -0.0125 -0.39 0.396 -0.0045 -0.13 -0.3722 -0.8968 1699181 ChemDiv3_000032 Cc1c(NC(=O)c2ccccc2)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B11 compound treatment 0.388 -0.0165 -0.52 0.379 -0.0215 -0.64 -0.8173 -0.9948 3019830 ChemDiv3_000033 CC(C)Cc1ccc(cc1)C(C)C(=O)NC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B12 compound treatment 0.404 -5.0E-4 -0.02 0.403 0.0025 0.07 0.0413 0.5449 3117575 ChemDiv3_000034 COc1ccc(/C=C/2\CC/C(=C\c3ccc(C)cc3)/C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B13 compound treatment 0.392 -0.0125 -0.39 0.407 0.0065 0.19 -0.1417 -0.3238 1119180 ChemDiv3_000035 CNC(=O)c1ccc(Oc2ccc(cc2)C(=O)NC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B14 compound treatment 0.435 0.0305 0.96 0.432 0.0315 0.93 1.3381 0.9999 1616129 ChemDiv3_000036 CC(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c4ccc(Oc5ccc(C)c(C)c5)cc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B15 compound treatment 0.4 -0.0045 -0.14 0.405 0.0045 0.13 -0.0058 -0.0297 1336672 ChemDiv3_000037 O=C(Nc1cc(=O)c2ccccc2o1)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B16 compound treatment 0.4 -0.0045 -0.14 0.395 -0.0055 -0.16 -0.2153 -0.9975 3117576 ChemDiv3_000038 CC[n+]1ccc(C)c2cc(ccc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B17 compound treatment 0.321 -0.0835 -2.63 0.335 -0.0655 -1.94 -3.2289 -0.9889 3019831 ChemDiv3_000039 NNC(=S)NC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B18 compound treatment 0.4 -0.0045 -0.14 0.404 0.0035 0.1 -0.0267 -0.1523 1270265 ChemDiv3_000040 Clc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B19 compound treatment 0.406 0.0015 0.05 0.405 0.0045 0.13 0.1276 0.9024 3117577 ChemDiv3_000041 Cc1cc(nc2ccc3ccccc3c12)c4ccc5ccccc5n4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B20 compound treatment 0.372 -0.0325 -1.02 0.36 -0.0405 -1.2 -1.5712 -0.9968 1591919 ChemDiv3_000042 CNc1ccc(cc1)S(=O)(=O)c2ccc(NC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B21 compound treatment 0.445 0.0405 1.27 0.445 0.0445 1.32 1.8329 0.9998 3117578 ChemDiv3_000043 O=C(C1=C(C(=O)c2ccccc2C1=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B22 compound treatment 0.402 -0.0025 -0.08 0.397 -0.0035 -0.1 -0.1289 -0.9907 1583295 ChemDiv3_000044 Brc1ccc(OC(=O)c2cccnc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B23 mock treatment 0.389 -0.0155 -0.49 0.396 -0.0045 -0.13 -0.4389 -0.8686 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 B24 mock treatment 0.419 0.0145 0.46 0.413 0.0125 0.37 0.5843 0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C01 compound treatment 0.402 -0.0025 -0.08 0.407 0.0065 0.19 0.0806 0.3875 3019835 ChemDiv3_000045 Cc1ccn(CN2CCN(Cn3ccc(C)n3)C2=S)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C02 compound treatment 0.418 0.0135 0.42 0.428 0.0275 0.81 0.8764 0.9538 1183514 ChemDiv3_000046 CC(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C03 compound treatment 0.403 -0.0015 -0.05 0.401 5.0E-4 0.01 -0.0229 -0.4627 1699403 ChemDiv3_000047 O=C(NC1(CCC(=O)O1)C(=O)OCc2ccccc2)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C04 compound treatment 0.397 -0.0075 -0.24 0.401 5.0E-4 0.01 -0.1563 -0.6614 3019836 ChemDiv3_000048 COc1ccc(NC(=S)C)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C05 compound treatment 0.409 0.0045 0.14 0.416 0.0155 0.46 0.4248 0.884 3019837 ChemDiv3_000049 Clc1ccc(OC(=O)c2ccc(Br)cc2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C06 compound treatment 0.389 -0.0155 -0.49 0.393 -0.0075 -0.22 -0.5018 -0.9367 3117579 ChemDiv3_000050 CC(C)N(C(C)C)C(=O)C[n+]1ccc(/C=N/O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C07 compound treatment 0.412 0.0075 0.24 0.414 0.0135 0.4 0.4496 0.9682 1112119 ChemDiv3_000051 CC(=O)Oc1ccc(cc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C08 compound treatment 0.38 -0.0245 -0.77 0.386 -0.0145 -0.43 -0.8485 -0.962 1921020 ChemDiv3_000052 CC[n+]1cccc(c1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C09 compound treatment 0.437 0.0325 1.02 0.437 0.0365 1.08 1.4874 0.9996 1233273 ChemDiv3_000053 CCN1CCN(CC1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C10 compound treatment 0.383 -0.0215 -0.68 0.385 -0.0155 -0.46 -0.8028 -0.9823 3019838 ChemDiv3_000054 NC(=O)N1CCc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C11 compound treatment 0.427 0.0225 0.71 0.407 0.0065 0.19 0.6365 0.868 1021994 ChemDiv3_000055 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C12 compound treatment 0.382 -0.0225 -0.71 0.387 -0.0135 -0.4 -0.7831 -0.9636 3019839 ChemDiv3_000056 CC(C)(C)OC(=O)C[n+]1cccc(c1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C13 compound treatment 0.391 -0.0135 -0.42 0.39 -0.0105 -0.31 -0.5202 -0.9883 3117584 ChemDiv3_000057 O=C1CN(C(=O)N1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C14 compound treatment 0.399 -0.0055 -0.17 0.393 -0.0075 -0.22 -0.2794 -0.9923 3019840 ChemDiv3_000058 O/N=C/c1cc[n+](CC(=O)N2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C15 compound treatment 0.38 -0.0245 -0.77 0.387 -0.0135 -0.4 -0.8276 -0.9534 1320550 ChemDiv3_000059 COC(=O)CCS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)CCC(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C16 compound treatment 0.386 -0.0185 -0.58 0.385 -0.0155 -0.46 -0.7361 -0.9932 1778026 ChemDiv3_000060 OCc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C17 compound treatment 0.418 0.0135 0.42 0.453 0.0525 1.56 1.4002 0.8683 3019841 ChemDiv3_000061 Cc1ccc(cc1)C(=O)C2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C18 compound treatment 0.385 -0.0195 -0.61 0.397 -0.0035 -0.1 -0.5069 -0.8151 1353751 ChemDiv3_000062 Clc1cccc(NCn2c(=O)oc3ccccc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C19 compound treatment 0.409 0.0045 0.14 0.41 0.0095 0.28 0.2991 0.9494 1912422 ChemDiv3_000063 CCc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C20 compound treatment 0.397 -0.0075 -0.24 0.415 0.0145 0.43 0.1371 0.2796 1318161 ChemDiv3_000064 C(N1CCOCCN(Cc2ccccc2)CCOCC1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C21 compound treatment 0.47 0.0655 2.06 0.482 0.0815 2.41 3.164 0.9969 1038768 ChemDiv3_000065 CCN(CC)c1ccc2c(C)cc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C22 compound treatment 0.405 5.0E-4 0.02 0.404 0.0035 0.1 0.0845 0.8051 3019842 ChemDiv3_000066 O=C(Oc1ccc(cc1)c2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C23 mock treatment 0.387 -0.0175 -0.55 0.379 -0.0215 -0.64 -0.8396 -0.9973 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 C24 mock treatment 0.404 -5.0E-4 -0.02 0.406 0.0055 0.16 0.1041 0.6359 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D01 compound treatment 0.391 -0.0135 -0.42 0.383 -0.0175 -0.52 -0.6668 -0.9951 3117585 ChemDiv3_000067 C(Sc1nnnn1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D02 compound treatment 0.387 -0.0175 -0.55 0.389 -0.0115 -0.34 -0.63 -0.9735 3117586 ChemDiv3_000068 CC(C)(C)C(/C=C/c1ccc(Cl)cc1Cl)n2nnnc2C(C)(C)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D03 compound treatment 0.382 -0.0225 -0.71 0.382 -0.0185 -0.55 -0.8879 -0.992 1053376 ChemDiv3_000069 OC(=O)C1C(C(C1c2ccccc2)C(=O)O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D04 compound treatment 0.389 -0.0155 -0.49 0.389 -0.0115 -0.34 -0.5856 -0.9847 3117587 ChemDiv3_000070 O=C(/C=C/N1C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D05 compound treatment 0.389 -0.0155 -0.49 0.39 -0.0105 -0.31 -0.5646 -0.9765 3019843 ChemDiv3_000071 c1cncc(c1)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D06 compound treatment 0.381 -0.0235 -0.74 0.37 -0.0305 -0.9 -1.1616 -0.995 1343691 ChemDiv3_000072 CCN(C)CC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D07 compound treatment 0.386 -0.0185 -0.58 0.377 -0.0235 -0.7 -0.9037 -0.996 1187732 ChemDiv3_000073 COC(=O)NC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D08 compound treatment 0.429 0.0245 0.77 0.427 0.0265 0.79 1.1 1.0 1355186 ChemDiv3_000074 Nc1ccc(Sc2ccc3ccccc3c2Cl)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D09 compound treatment 0.375 -0.0295 -0.93 0.36 -0.0405 -1.2 -1.5045 -0.9919 1016949 ChemDiv3_000075 NC(=N)NC(=N)NCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D10 compound treatment 0.388 -0.0165 -0.52 0.38 -0.0205 -0.61 -0.7964 -0.9969 1392304 ChemDiv3_000076 Clc1ccc(cc1)c2nnc(o2)C3CCC(CC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D11 compound treatment 0.384 -0.0205 -0.64 0.377 -0.0235 -0.7 -0.9482 -0.9993 1388409 ChemDiv3_000077 S=c1sc2ccccc2n1CN3CCN(Cc4ccccc4)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D12 compound treatment 0.385 -0.0195 -0.61 0.378 -0.0225 -0.67 -0.905 -0.9991 3117588 ChemDiv3_000078 COc1ccc(/C=C/2\CC/C(=C\c3ccc(Cl)cc3)/C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D13 compound treatment 0.427 0.0225 0.71 0.386 -0.0145 -0.43 0.1964 0.2373 1025986 ChemDiv3_000079 Cc1ccccc1NC(=O)c2cc3ccccc3cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D14 compound treatment 0.372 -0.0325 -1.02 0.375 -0.0255 -0.76 -1.2569 -0.989 1513086 ChemDiv3_000080 O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D15 compound treatment 0.378 -0.0265 -0.83 0.374 -0.0265 -0.79 -1.1444 -0.9996 1550944 ChemDiv3_000081 O=C(N1CC(CC1=O)c2ccccc2)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D16 compound treatment 0.367 -0.0375 -1.18 0.37 -0.0305 -0.9 -1.4728 -0.9914 1432699 ChemDiv3_000082 CCOC(=O)c1cccc(n1)C(=O)Nc2nc3ccc(OC)cc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D17 compound treatment 0.404 -5.0E-4 -0.02 0.414 0.0135 0.4 0.2717 0.6788 1601789 ChemDiv3_000083 Cc1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D18 compound treatment 0.404 -5.0E-4 -0.02 0.404 0.0035 0.1 0.0622 0.5931 3019844 ChemDiv3_000084 CC(C)OC(=O)n1c(=S)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D19 compound treatment 0.386 -0.0185 -0.58 0.386 -0.0145 -0.43 -0.7151 -0.9889 1581559 ChemDiv3_000085 O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D20 compound treatment 0.398 -0.0065 -0.2 0.403 0.0025 0.07 -0.0921 -0.4238 3117589 ChemDiv3_000086 O=S(=O)(/C=C/c1ccccc1)N2C=Cc3ccccc3C2c4c[nH]c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D21 compound treatment 0.457 0.0525 1.65 0.45 0.0495 1.47 2.2044 0.9983 1529969 ChemDiv3_000087 Nc1nnc(s1)C(=O)c2ccccc2N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D22 compound treatment 0.396 -0.0085 -0.27 0.395 -0.0055 -0.16 -0.3042 -0.9719 1119404 ChemDiv3_000088 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccnc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D23 mock treatment 0.381 -0.0235 -0.74 0.376 -0.0245 -0.73 -1.0358 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 D24 mock treatment 0.411 0.0065 0.2 0.41 0.0095 0.28 0.3436 0.9876 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E01 compound treatment 0.431 0.0265 0.83 0.42 0.0195 0.58 0.9978 0.984 3019845 ChemDiv3_000089 C1OC(OCC2OC(OC12)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E02 compound treatment 0.396 -0.0085 -0.27 0.419 0.0185 0.55 0.1986 0.3257 1616713 ChemDiv3_000090 CCCOc1ccc(N)cc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E03 compound treatment 0.392 -0.0125 -0.39 0.401 5.0E-4 0.01 -0.2674 -0.68 3117590 ChemDiv3_000091 COc1ccc(cc1OC)C(=O)CN2Cc3ccccc3C2=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E04 compound treatment 0.381 -0.0235 -0.74 0.397 -0.0035 -0.1 -0.5958 -0.7985 3019846 ChemDiv3_000092 COc1ccc(NC(=O)C)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E05 compound treatment 0.387 -0.0175 -0.55 0.397 -0.0035 -0.1 -0.4624 -0.8258 3019847 ChemDiv3_000093 Nc1nc(cc[n+]1[O-])c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E06 compound treatment 0.386 -0.0185 -0.58 0.394 -0.0065 -0.19 -0.5475 -0.8935 3117591 ChemDiv3_000094 O/N=C/c1cc[n+](CC(=O)NC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E07 compound treatment 0.388 -0.0165 -0.52 0.394 -0.0065 -0.19 -0.5031 -0.909 1701731 ChemDiv3_000095 CCc1ccc(cc1)C(=O)Oc2ccc(C#N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E08 compound treatment 0.401 -0.0035 -0.11 0.402 0.0015 0.04 -0.0464 -0.3909 1069596 ChemDiv3_000096 COC(=O)N1C(C=Cc2ccccc12)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E09 compound treatment 0.408 0.0035 0.11 0.398 -0.0025 -0.07 0.0254 0.1917 3019848 ChemDiv3_000097 N/N=C/c1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E10 compound treatment 0.388 -0.0165 -0.52 0.391 -0.0095 -0.28 -0.5659 -0.9587 3117592 ChemDiv3_000098 CN1CCN(CC1)C(=O)/C=C(/C)\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E11 compound treatment 0.395 -0.0095 -0.3 0.393 -0.0075 -0.22 -0.3684 -0.9894 1026004 ChemDiv3_000099 COc1ccc2ccccc2c1c3c(OC)ccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E12 compound treatment 0.393 -0.0115 -0.36 0.393 -0.0075 -0.22 -0.4128 -0.9727 3019849 ChemDiv3_000100 CC(C)(C)C(=O)C[n+]1cccc(c1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E13 compound treatment 0.411 0.0065 0.2 0.408 0.0075 0.22 0.3017 0.9991 1049039 ChemDiv3_000101 CC(=O)N(Nc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E14 compound treatment 0.376 -0.0285 -0.9 0.387 -0.0135 -0.4 -0.9165 -0.9339 3117593 ChemDiv3_000102 O/N=C/c1ccc[n+](CC(=O)NC2(CC3CC4CC(C3)C2)C4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E15 compound treatment 0.39 -0.0145 -0.46 0.384 -0.0165 -0.49 -0.6681 -0.9994 3019850 ChemDiv3_000103 CSc1ccc(cc1)c2ccc(SC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E16 compound treatment 0.382 -0.0225 -0.71 0.374 -0.0265 -0.79 -1.0555 -0.9986 3019851 ChemDiv3_000104 Nc1ccc(cc1)S(=O)(=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E17 compound treatment 0.391 -0.0135 -0.42 0.39 -0.0105 -0.31 -0.5202 -0.9883 1913805 ChemDiv3_000105 CC(C)(C)OC(=O)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E18 compound treatment 0.395 -0.0095 -0.3 0.392 -0.0085 -0.25 -0.3893 -0.9964 1334112 ChemDiv3_000106 Cc1ccc(NCn2c(=O)oc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E19 compound treatment 0.405 5.0E-4 0.02 0.405 0.0045 0.13 0.1054 0.785 1464160 ChemDiv3_000107 OCCNC(=O)c1cc2ccccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E20 compound treatment 0.385 -0.0195 -0.61 0.369 -0.0315 -0.93 -1.0936 -0.9792 1484925 ChemDiv3_000108 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E21 compound treatment 0.404 -5.0E-4 -0.02 0.399 -0.0015 -0.04 -0.0425 -0.9024 3117594 ChemDiv3_000109 [O-][S+]1NN([S+]([O-])NN1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E22 compound treatment 0.405 5.0E-4 0.02 0.392 -0.0085 -0.25 -0.167 -0.6617 1033254 ChemDiv3_000110 COc1cc(NCCCC(C)N)c2ncccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E23 mock treatment 0.387 -0.0175 -0.55 0.375 -0.0255 -0.76 -0.9234 -0.9879 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 E24 mock treatment 0.399 -0.0055 -0.17 0.406 0.0055 0.16 -0.007 -0.0297 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F01 compound treatment 0.396 -0.0085 -0.27 1.041 0.64 18.98 13.2312 0.6971 1915982 ChemDiv3_000111 O=C1NC(=O)/C(=C/c2ccccc2)/C(=O)N1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F02 compound treatment 0.415 0.0105 0.33 0.405 0.0045 0.13 0.3277 0.9205 1272580 ChemDiv3_000112 CC(=C)CN1c2ccccc2Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F03 compound treatment 0.418 0.0135 0.42 0.415 0.0145 0.43 0.604 1.0 1220799 ChemDiv3_000113 Cc1ccc(Nc2ccc3noc4-c5ccccc5C(=O)c2c43)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F04 compound treatment 0.403 -0.0015 -0.05 0.396 -0.0045 -0.13 -0.1276 -0.9024 1191611 ChemDiv3_000114 O=c1oc2ccccc2c(Nc3ccccc3)c1CN4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F05 compound treatment 0.392 -0.0125 -0.39 0.387 -0.0135 -0.4 -0.5608 -1.0 1052238 ChemDiv3_000115 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F06 compound treatment 0.418 0.0135 0.42 0.378 -0.0225 -0.67 -0.1713 -0.2167 1363766 ChemDiv3_000116 Cc1cccc(c1)N(CC(=O)O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F07 compound treatment 0.402 -0.0025 -0.08 0.402 0.0015 0.04 -0.0242 -0.2675 1561715 ChemDiv3_000117 O=C(Nc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F08 compound treatment 0.391 -0.0135 -0.42 0.396 -0.0045 -0.13 -0.3944 -0.8865 1160251 ChemDiv3_000118 CCCC1CCC(CC1)c2ccc(OC(=O)c3ccco3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F09 compound treatment 0.414 0.0095 0.3 0.412 0.0115 0.34 0.4522 0.9978 1185575 ChemDiv3_000119 Cc1cc(F)ccc1S(=O)(=O)NCC2CC3CCC2C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F10 compound treatment 0.385 -0.0195 -0.61 0.408 0.0075 0.22 -0.2764 -0.4238 1298807 ChemDiv3_000120 OCC(O)C1OC(Nc2ccc(Cl)cc2)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F11 compound treatment 0.383 -0.0215 -0.68 0.382 -0.0185 -0.55 -0.8657 -0.9946 1454827 ChemDiv3_000121 CC(C)(c1ccccc1)c2cc(CN3CCOCC3)c(O)c(CN4CCOCC4)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F12 compound treatment 0.405 5.0E-4 0.02 0.413 0.0125 0.37 0.273 0.7365 1403981 ChemDiv3_000122 COc1ccc2oc(=O)c(cc2c1)c3cnc(C)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F13 compound treatment 0.398 -0.0065 -0.2 0.392 -0.0085 -0.25 -0.3226 -0.9946 3117595 ChemDiv3_000123 O/N=C(\C(=O)c1ccccc1Cl)/n2cncn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F14 compound treatment 0.405 5.0E-4 0.02 0.401 5.0E-4 0.01 0.0216 0.9996 3117598 ChemDiv3_000124 CC1(C)COP(=S)(OC1)C(Nc2ccc(Cl)cc2)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F15 compound treatment 0.383 -0.0215 -0.68 0.388 -0.0125 -0.37 -0.7399 -0.9599 1605115 ChemDiv3_000125 Oc1ccccc1c2nsnc2C(=O)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F16 compound treatment 0.401 -0.0035 -0.11 0.413 0.0125 0.37 0.1841 0.4764 1419832 ChemDiv3_000126 O=C(Oc1ccc(cc1)S(=O)(=O)c2ccc(OC(=O)c3cccs3)cc2)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F17 compound treatment 0.437 0.0325 1.02 0.446 0.0455 1.35 1.6759 0.9907 1721700 ChemDiv3_000127 COc1cccc(c1)C2(CCCC2)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F18 compound treatment 0.39 -0.0145 -0.46 0.381 -0.0195 -0.58 -0.731 -0.9931 1321397 ChemDiv3_000128 Nc1ncn(CC(O)CO)c2nc(Br)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F19 compound treatment 0.389 -0.0155 -0.49 0.385 -0.0155 -0.46 -0.6694 -0.9996 3019915 ChemDiv3_000129 COc1ccc(cc1)C(=O)C[n+]2ccc3n(C)nnc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F20 compound treatment 0.38 -0.0245 -0.77 0.384 -0.0165 -0.49 -0.8904 -0.9759 1406847 ChemDiv3_000130 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccs3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F21 compound treatment 0.385 -0.0195 -0.61 0.388 -0.0125 -0.37 -0.6955 -0.9709 1504493 ChemDiv3_000131 CC(=O)N1C(NC(=S)N)C(=O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F22 compound treatment 0.413 0.0085 0.27 0.405 0.0045 0.13 0.2833 0.9484 1667131 ChemDiv3_000132 CCOc1ccc(OC(=O)c2cccnc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F23 mock treatment 0.399 -0.0055 -0.17 0.377 -0.0235 -0.7 -0.6147 -0.8567 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 F24 mock treatment 0.413 0.0085 0.27 0.411 0.0105 0.31 0.409 0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G01 compound treatment 0.415 0.0105 0.33 0.447 0.0465 1.38 1.2078 0.8524 1210291 ChemDiv3_000133 CN(C)CCOC(=O)c1ccc2[nH]c3CCSCc3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G02 compound treatment 0.379 -0.0255 -0.8 0.403 0.0025 0.07 -0.5146 -0.6391 1432983 ChemDiv3_000134 O=C(CC1(CC2CC3CC(C2)C1)C3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G03 compound treatment 0.396 -0.0085 -0.27 0.395 -0.0055 -0.16 -0.3042 -0.9719 3019916 ChemDiv3_000135 CC(Cc1ccccc1)[n+]2cc(N)on2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G04 compound treatment 0.437 0.0325 1.02 0.441 0.0405 1.2 1.5712 0.9968 1091968 ChemDiv3_000136 Nc1ccc(Br)cc1C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G05 compound treatment 0.474 0.0695 2.19 0.479 0.0785 2.33 3.19 0.9995 1446265 ChemDiv3_000137 CC(=O)Oc1ccc2ccc3ccc(OC(=O)C)c4ccc1c2c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G06 compound treatment 0.403 -0.0015 -0.05 0.394 -0.0065 -0.19 -0.1695 -0.855 3019918 ChemDiv3_000138 O/N=C/c1ccc[n+](CC(=O)NCc2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G07 compound treatment 0.405 5.0E-4 0.02 0.417 0.0165 0.49 0.3568 0.7295 3117599 ChemDiv3_000139 CC1CCC/C(=C/c2ccc(Cl)cc2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G08 compound treatment 0.382 -0.0225 -0.71 0.397 -0.0035 -0.1 -0.5736 -0.8022 1662647 ChemDiv3_000140 CCOC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G09 compound treatment 0.382 -0.0225 -0.71 0.4 -5.0E-4 -0.01 -0.5107 -0.7218 1320817 ChemDiv3_000141 CCN(CC)C(=O)N1CCN(CCC#N)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G10 compound treatment 0.384 -0.0205 -0.64 0.406 0.0055 0.16 -0.3406 -0.5122 1913999 ChemDiv3_000142 CC(Cc1c[nH]c2ccccc12)NC(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G11 compound treatment 0.394 -0.0105 -0.33 0.415 0.0145 0.43 0.0704 0.1298 3117600 ChemDiv3_000143 S=c1nc(oc2CCCCc21)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G12 compound treatment 0.402 -0.0025 -0.08 0.425 0.0245 0.73 0.4578 0.6269 3019921 ChemDiv3_000144 CC(C)(C)C(=O)C[n+]1ccc(cc1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G13 compound treatment 0.419 0.0145 0.46 0.426 0.0255 0.76 0.8567 0.9707 1032623 ChemDiv3_000145 O=C(N(Nc1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G14 compound treatment 0.396 -0.0085 -0.27 0.393 -0.0075 -0.22 -0.3461 -0.9958 3117601 ChemDiv3_000146 OC(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G15 compound treatment 0.42 0.0155 0.49 0.404 0.0035 0.1 0.418 0.8388 3117602 ChemDiv3_000147 CSc1ccc(Sc2ccc(SC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G16 compound treatment 0.396 -0.0085 -0.27 0.402 0.0015 0.04 -0.1576 -0.5815 1075919 ChemDiv3_000148 Clc1ccc(OCC(=O)NCCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G17 compound treatment 0.413 0.0085 0.27 0.414 0.0135 0.4 0.4718 0.9808 1146554 ChemDiv3_000149 OCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G18 compound treatment 0.381 -0.0235 -0.74 0.384 -0.0165 -0.49 -0.8682 -0.9799 1723737 ChemDiv3_000150 NC(=S)c1cc2ccccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G19 compound treatment 0.411 0.0065 0.2 0.403 0.0025 0.07 0.1969 0.9057 1601550 ChemDiv3_000151 COc1ccc(C2C(=O)c3ccccc3C2=O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G20 compound treatment 0.371 -0.0335 -1.05 0.378 -0.0225 -0.67 -1.2163 -0.9757 1302822 ChemDiv3_000152 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G21 compound treatment 0.403 -0.0015 -0.05 0.398 -0.0025 -0.07 -0.0857 -0.9762 3019795 ChemDiv3_000153 S=C1NN=C(C(N1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G22 compound treatment 0.393 -0.0115 -0.36 0.376 -0.0245 -0.73 -0.769 -0.9482 1416806 ChemDiv3_000154 Nc1ccc(cc1)C(=O)Nc2ccc(cc2N)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G23 mock treatment 0.389 -0.0155 -0.49 0.375 -0.0255 -0.76 -0.8789 -0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 G24 mock treatment 0.394 -0.0105 -0.33 0.385 -0.0155 -0.46 -0.5582 -0.9869 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H01 compound treatment 0.415 0.0105 0.33 0.42 0.0195 0.58 0.642 0.9648 1123126 ChemDiv3_000155 C(CN1CCOCC1)Sc2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H02 compound treatment 0.414 0.0095 0.3 0.405 0.0045 0.13 0.3055 0.9339 3019817 ChemDiv3_000156 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccc(cc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H03 compound treatment 0.38 -0.0245 -0.77 0.399 -0.0015 -0.04 -0.5762 -0.7467 3117603 ChemDiv3_000157 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H04 compound treatment 0.398 -0.0065 -0.2 0.412 0.0115 0.34 0.0964 0.2427 3019818 ChemDiv3_000158 COc1ccc(cc1)N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C3=CC4CCC(C3)N4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H05 compound treatment 0.436 0.0315 0.99 0.433 0.0325 0.96 1.3813 0.9999 1020750 ChemDiv3_000159 NC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H06 compound treatment 0.401 -0.0035 -0.11 0.401 5.0E-4 0.01 -0.0673 -0.6064 1221336 ChemDiv3_000160 Cc1ccc(OC(=O)c2ccccc2)c(c1)n3nc4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H07 compound treatment 0.408 0.0035 0.11 0.427 0.0265 0.79 0.6331 0.7984 1171342 ChemDiv3_000161 COC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H08 compound treatment 0.406 0.0015 0.05 0.409 0.0085 0.25 0.2114 0.8252 1054931 ChemDiv3_000162 O=C(Oc1ccc(cc1)c2ccccc2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H09 compound treatment 0.389 -0.0155 -0.49 0.395 -0.0055 -0.16 -0.4599 -0.8949 1080023 ChemDiv3_000163 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H10 compound treatment 0.393 -0.0115 -0.36 0.406 0.0055 0.16 -0.1405 -0.3541 1270809 ChemDiv3_000164 Cc1ccccc1C(=O)N2N=C(CC2c3nc4ccccc4[nH]3)c5ccc(Br)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H11 compound treatment 0.378 -0.0265 -0.83 0.382 -0.0185 -0.55 -0.9768 -0.9794 1111851 ChemDiv3_000165 OCc1nc2cc3ccccc3cc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H12 compound treatment 0.395 -0.0095 -0.3 0.409 0.0085 0.25 -0.0331 -0.0848 3117604 ChemDiv3_000166 O=C1N(C(=O)c2cc(ccc12)c3ncc(o3)c4ccccc4)c5ncn[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H13 compound treatment 0.475 0.0705 2.22 0.481 0.0805 2.39 3.2542 0.9993 3019820 ChemDiv3_000167 Oc1ccccc1/C=N/n2c3ccccc3c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H14 compound treatment 0.393 -0.0115 -0.36 0.4 -5.0E-4 -0.01 -0.2662 -0.7355 3117605 ChemDiv3_000168 C/N=C(\C)/c1c(O)c2ccccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H15 compound treatment 0.428 0.0235 0.74 0.428 0.0275 0.81 1.0987 0.9988 1279829 ChemDiv3_000169 Oc1ccccc1C2CCCCC2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H16 compound treatment 0.386 -0.0185 -0.58 0.393 -0.0075 -0.22 -0.5685 -0.9129 1311336 ChemDiv3_000170 Nc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3cccc(N)c3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H17 compound treatment 0.361 -0.0435 -1.37 0.372 -0.0285 -0.84 -1.5643 -0.9731 1341633 ChemDiv3_000171 Cc1cc(C)c2ccc(NN)nc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H18 compound treatment 0.389 -0.0155 -0.49 0.386 -0.0145 -0.43 -0.6484 -0.998 3117606 ChemDiv3_000172 CC(=O)Nc1c(C)nn(c1O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H19 compound treatment 0.412 0.0075 0.24 0.414 0.0135 0.4 0.4496 0.9682 3019822 ChemDiv3_000173 COc1ccc2nc(C)cc(S)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H20 compound treatment 0.341 -0.0635 -2.0 0.353 -0.0475 -1.41 -2.4071 -0.9854 1016095 ChemDiv3_000174 COC(=O)c1cccc(n1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H21 compound treatment 0.391 -0.0135 -0.42 0.388 -0.0125 -0.37 -0.5621 -0.9977 1229822 ChemDiv3_000175 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2ccc(I)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H22 compound treatment 0.391 -0.0135 -0.42 0.381 -0.0195 -0.58 -0.7087 -0.9885 1484239 ChemDiv3_000176 CC(C)OC(=O)c1cccc(n1)C(=O)Nc2ccc(NC(=O)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H23 mock treatment 0.391 -0.0135 -0.42 0.373 -0.0275 -0.81 -0.8764 -0.9538 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 H24 mock treatment 0.409 0.0045 0.14 0.409 0.0085 0.25 0.2782 0.9628 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I01 compound treatment 0.431 0.0265 0.83 0.437 0.0365 1.08 1.354 0.9917 1528297 ChemDiv3_000177 CCN(CC)C(=O)COc1ccc(C)nc1CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I02 compound treatment 0.388 -0.0165 -0.52 0.396 -0.0045 -0.13 -0.4611 -0.8609 1726229 ChemDiv3_000178 O=C(NC1CCCCC1)NC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I03 compound treatment 0.401 -0.0035 -0.11 0.402 0.0015 0.04 -0.0464 -0.3909 1695838 ChemDiv3_000179 OC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I04 compound treatment 0.387 -0.0175 -0.55 0.389 -0.0115 -0.34 -0.63 -0.9735 1706757 ChemDiv3_000180 CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I05 compound treatment 0.398 -0.0065 -0.2 0.396 -0.0045 -0.13 -0.2388 -0.9786 3019863 ChemDiv3_000181 OC(=O)c1ccc(cc1)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I06 compound treatment 0.382 -0.0225 -0.71 0.385 -0.0155 -0.46 -0.825 -0.9781 3117607 ChemDiv3_000182 C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2c(Br)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I07 compound treatment 0.396 -0.0085 -0.27 0.386 -0.0145 -0.43 -0.4928 -0.9739 1103446 ChemDiv3_000183 OC(=O)C(Cc1ccccc1)NC=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I08 compound treatment 0.378 -0.0265 -0.83 0.372 -0.0285 -0.84 -1.1864 -1.0 3019864 ChemDiv3_000184 NC(=S)/N=C/1\CCCCC1=C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I09 compound treatment 0.392 -0.0125 -0.39 0.404 0.0035 0.1 -0.2046 -0.5033 3117608 ChemDiv3_000185 Clc1ccc(cc1)S(=O)(=O)/N=C/2\SCCN2S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I10 compound treatment 0.389 -0.0155 -0.49 0.387 -0.0135 -0.4 -0.6275 -0.9952 3019865 ChemDiv3_000186 NC(=O)c1ccc[n+](CC(=O)N(CC=C)CC=C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I11 compound treatment 0.388 -0.0165 -0.52 0.402 0.0015 0.04 -0.3354 -0.6442 1008424 ChemDiv3_000187 Nc1ccc(Sc2ccc(N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I12 compound treatment 0.387 -0.0175 -0.55 0.391 -0.0095 -0.28 -0.5881 -0.9516 3117609 ChemDiv3_000188 CC(C)(C)OC(=O)C[n+]1ccc(cc1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I13 compound treatment 0.394 -0.0105 -0.33 0.4 -5.0E-4 -0.01 -0.2439 -0.7381 1590292 ChemDiv3_000189 Cc1ccc(cc1)C(=O)Oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I14 compound treatment 0.383 -0.0215 -0.68 0.393 -0.0075 -0.22 -0.6352 -0.8926 3019866 ChemDiv3_000190 Brc1ccc2[n+](C/C=C/c3ccccc3)cccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I15 compound treatment 0.402 -0.0025 -0.08 0.384 -0.0165 -0.49 -0.4013 -0.8104 2121292 ChemDiv3_000191 Clc1ccc(cc1Cl)S(=O)(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I16 compound treatment 0.382 -0.0225 -0.71 0.38 -0.0205 -0.61 -0.9298 -0.9971 1483300 ChemDiv3_000192 COc1ccc(Cl)c(NCCC(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I17 compound treatment 0.393 -0.0115 -0.36 0.399 -0.0015 -0.04 -0.2871 -0.7881 1243544 ChemDiv3_000193 CCOc1ccc(cc1OC)C2(CC(=O)Nc3ccccc3)C(=O)c4ccccc4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I18 compound treatment 0.389 -0.0155 -0.49 0.397 -0.0035 -0.1 -0.418 -0.8388 1632789 ChemDiv3_000194 O=C(Nc1cccc2ccccc12)c3cc4ccccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I19 compound treatment 0.402 -0.0025 -0.08 0.39 -0.0105 -0.31 -0.2756 -0.8588 1020326 ChemDiv3_000195 CCOC(=O)C1=C(O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I20 compound treatment 0.447 0.0425 1.34 0.418 0.0175 0.52 1.3116 0.915 1160580 ChemDiv3_000196 OC(=O)C(Cc1cnc[nH]1)N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I21 compound treatment 0.387 -0.0175 -0.55 0.382 -0.0185 -0.55 -0.7767 -1.0 1223725 ChemDiv3_000197 OC(=O)CC1(CC2CC3C1)CC(CC(=O)O)(C2)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I22 compound treatment 0.396 -0.0085 -0.27 0.398 -0.0025 -0.07 -0.2414 -0.8703 3019868 ChemDiv3_000198 OC(=O)c1ccc(C(=O)O)c(c1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I23 mock treatment 0.442 0.0375 1.18 0.389 -0.0115 -0.34 0.5928 0.483 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 I24 mock treatment 0.406 0.0015 0.05 0.405 0.0045 0.13 0.1276 0.9024 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J01 compound treatment 0.442 0.0375 1.18 0.442 0.0415 1.23 1.7033 0.9998 3117610 ChemDiv3_000199 N/N=C(\C(=O)O)/c1ccccc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J02 compound treatment 0.394 -0.0105 -0.33 0.408 0.0075 0.22 -0.0763 -0.1917 3019869 ChemDiv3_000200 O=C(C[n+]1ccc(C#N)cc1)c2ccc(NC(=O)c3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J03 compound treatment 0.399 -0.0055 -0.17 0.396 -0.0045 -0.13 -0.2166 -0.9917 3117612 ChemDiv3_000201 O=C(/C=C/c1c[nH]c2ccccc12)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J04 compound treatment 0.384 -0.0205 -0.64 0.395 -0.0055 -0.16 -0.571 -0.8589 1170304 ChemDiv3_000202 OC(=O)CCNc1cc(Cl)ccc1Oc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J05 compound treatment 0.404 -5.0E-4 -0.02 0.413 0.0125 0.37 0.2508 0.6765 3019870 ChemDiv3_000203 O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J06 compound treatment 0.397 -0.0075 -0.24 0.399 -0.0015 -0.04 -0.1982 -0.8258 1618034 ChemDiv3_000204 COc1ccc(cc1)N2C(=O)C3CC=CC(C)C3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J07 compound treatment 0.383 -0.0215 -0.68 0.39 -0.0105 -0.31 -0.698 -0.938 3117613 ChemDiv3_000205 CCn1c(C)[n+](CC)c2cc(ccc12)S(=O)(=O)NC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J08 compound treatment 0.429 0.0245 0.77 0.436 0.0355 1.05 1.2886 0.9883 1082227 ChemDiv3_000206 C(CSc1nc2ccccc2[nH]1)Sc3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J09 compound treatment 0.428 0.0235 0.74 0.417 0.0165 0.49 0.8682 0.9799 3019871 ChemDiv3_000207 Cc1ccc(cc1C)C(=O)c2ccc(C)c(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J10 compound treatment 0.414 0.0095 0.3 0.415 0.0145 0.43 0.515 0.9842 1921766 ChemDiv3_000208 CC(/N=C/c1ccccc1O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J11 compound treatment 0.392 -0.0125 -0.39 0.387 -0.0135 -0.4 -0.5608 -1.0 1340958 ChemDiv3_000209 CCN(CC)CCSc1nnc2c3ccccc3n(CC(=O)N)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J12 compound treatment 0.384 -0.0205 -0.64 0.391 -0.0095 -0.28 -0.6548 -0.931 1421356 ChemDiv3_000210 O=C(Nc1nc(cs1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J13 compound treatment 0.384 -0.0205 -0.64 0.387 -0.0135 -0.4 -0.7387 -0.9737 3019898 ChemDiv3_000211 Oc1ccccc1/C=N/c2cccc(\N=C\c3ccccc3O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J14 compound treatment 0.438 0.0335 1.05 0.431 0.0305 0.9 1.3839 0.9971 3117614 ChemDiv3_000212 Clc1ccc2[nH]c(=O)nc(c3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J15 compound treatment 0.427 0.0225 0.71 0.427 0.0265 0.79 1.0555 0.9986 1122932 ChemDiv3_000213 Oc1cc(cc(c1)C2CCCCC2)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J16 compound treatment 0.384 -0.0205 -0.64 0.377 -0.0235 -0.7 -0.9482 -0.9993 3117615 ChemDiv3_000214 CC(=O)NC1=NN(C(=O)C)C(C)(CS(=O)(=O)c2ccc(C)cc2)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J17 compound treatment 0.386 -0.0185 -0.58 0.402 0.0015 0.04 -0.3799 -0.6512 1730515 ChemDiv3_000215 CNc1ccc2cccc(Oc3ccc4cccc(O)c4n3)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J18 compound treatment 0.404 -5.0E-4 -0.02 0.398 -0.0025 -0.07 -0.0635 -0.8385 1591676 ChemDiv3_000216 Nc1cccc(NC(=O)CCC(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J19 compound treatment 0.397 -0.0075 -0.24 0.393 -0.0075 -0.22 -0.3239 -0.9996 3117616 ChemDiv3_000217 CC1(C)CC(CC(C)(C)N1)/N=C/c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J20 compound treatment 0.397 -0.0075 -0.24 0.39 -0.0105 -0.31 -0.3868 -0.9907 1528923 ChemDiv3_000218 CC(C)OC(=O)c1cccc(n1)C(=O)OC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J21 compound treatment 0.392 -0.0125 -0.39 0.381 -0.0195 -0.58 -0.6865 -0.9824 1320476 ChemDiv3_000219 OC(=O)CC(N1C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J22 compound treatment 0.411 0.0065 0.2 0.422 0.0215 0.64 0.595 0.8893 1009844 ChemDiv3_000220 Nc1cc(ccc1O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J23 mock treatment 0.38 -0.0245 -0.77 0.393 -0.0075 -0.22 -0.7019 -0.8754 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 J24 mock treatment 0.423 0.0185 0.58 0.465 0.0645 1.91 1.7628 0.8824 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K01 compound treatment 0.407 0.0025 0.08 0.416 0.0155 0.46 0.3804 0.8163 1273679 ChemDiv3_000221 CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K02 compound treatment 0.392 -0.0125 -0.39 0.4 -5.0E-4 -0.01 -0.2884 -0.7332 1202625 ChemDiv3_000222 OCCC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K03 compound treatment 0.404 -5.0E-4 -0.02 0.394 -0.0065 -0.19 -0.1473 -0.7623 1450413 ChemDiv3_000223 CS(=O)(=O)CS(=O)(=O)C1=C(C2CCN1CC2)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K04 compound treatment 0.381 -0.0235 -0.74 0.381 -0.0195 -0.58 -0.9311 -0.9926 1353143 ChemDiv3_000224 CC(C)N(C(C)C)C(=O)Cn1ccc(=N)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K05 compound treatment 0.396 -0.0085 -0.27 0.401 5.0E-4 0.01 -0.1785 -0.6669 3117617 ChemDiv3_000225 CCCCc1ccc(CC(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K06 compound treatment 0.442 0.0375 1.18 0.395 -0.0055 -0.16 0.7185 0.6036 3019901 ChemDiv3_000226 CC[n+]1cccc(c1)c2nc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K07 compound treatment 0.386 -0.0185 -0.58 0.39 -0.0105 -0.31 -0.6313 -0.957 1058991 ChemDiv3_000227 CCc1ccc(CC(=S)N2CCOCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K08 compound treatment 0.39 -0.0145 -0.46 0.39 -0.0105 -0.31 -0.5424 -0.9826 1049850 ChemDiv3_000228 C(N1CCN(CC1)c2ccccc2)N3CCN(CC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K09 compound treatment 0.4 -0.0045 -0.14 0.396 -0.0045 -0.13 -0.1943 -0.9996 1529951 ChemDiv3_000229 COc1ccc2N(C)C(=O)C(C)(CC#N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K10 compound treatment 0.388 -0.0165 -0.52 0.393 -0.0075 -0.22 -0.524 -0.9284 3117618 ChemDiv3_000230 NC(=O)c1cc[n+](CC(=O)N(CC=C)CC=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K11 compound treatment 0.42 0.0155 0.49 0.423 0.0225 0.67 0.8161 0.9881 1049796 ChemDiv3_000231 C[n+]1ccc(cc1)c2cc[n+](C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K12 compound treatment 0.39 -0.0145 -0.46 0.392 -0.0085 -0.25 -0.5005 -0.9609 3117619 ChemDiv3_000232 O/N=C/c1ccc[n+](C/C=C/c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K13 compound treatment 0.422 0.0175 0.55 0.424 0.0235 0.7 0.8815 0.9932 1377603 ChemDiv3_000233 Cc1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(C)c3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K14 compound treatment 0.398 -0.0065 -0.2 0.393 -0.0075 -0.22 -0.3017 -0.9991 3117620 ChemDiv3_000234 NC(=O)NC(=O)C[n+]1ccc(/C=N/O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K15 compound treatment 0.413 0.0085 0.27 0.393 -0.0075 -0.22 0.0318 0.0916 1086380 ChemDiv3_000235 Brc1ccc(cc1)S(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K16 compound treatment 0.461 0.0565 1.78 0.413 0.0125 0.37 1.5181 0.8365 3117621 ChemDiv3_000236 OC(=O)CN(CCc1ccccc1)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K17 compound treatment 0.437 0.0325 1.02 0.438 0.0375 1.11 1.5083 0.9991 1677145 ChemDiv3_000237 O=C1C(C(C2C(=O)c3ccccc3C2=O)c4ccccc4)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K18 compound treatment 0.47 0.0655 2.06 0.463 0.0625 1.85 2.7659 0.9986 1190677 ChemDiv3_000238 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K19 compound treatment 0.386 -0.0185 -0.58 0.378 -0.0225 -0.67 -0.8828 -0.9977 3019902 ChemDiv3_000239 CCC(=O)c1ccc2cc(OC)ccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K20 compound treatment 0.386 -0.0185 -0.58 0.379 -0.0215 -0.64 -0.8618 -0.999 1231229 ChemDiv3_000240 CCCCC(N1C(=O)c2ccccc2C1=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K21 compound treatment 0.435 0.0305 0.96 0.437 0.0365 1.08 1.4429 0.9982 1111942 ChemDiv3_000241 CN(C)CCC(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K22 compound treatment 0.405 5.0E-4 0.02 0.415 0.0145 0.43 0.3149 0.7325 3019922 ChemDiv3_000242 Cc1cc(NC(=O)c2ccc(N)cc2)c(N)cc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K23 mock treatment 0.379 -0.0255 -0.8 0.373 -0.0275 -0.81 -1.1432 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 K24 mock treatment 0.394 -0.0105 -0.33 0.397 -0.0035 -0.1 -0.3068 -0.8865 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L01 compound treatment 0.406 0.0015 0.05 0.405 0.0045 0.13 0.1276 0.9024 3117622 ChemDiv3_000243 CC(=O)Nc1ccc(NC(=O)/C=N/O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L02 compound treatment 0.435 0.0305 0.96 0.426 0.0255 0.76 1.2124 0.993 3117623 ChemDiv3_000244 O=C(C[n+]1cccc(c1)C(=O)Nc2ccccc2)c3ccc(cc3)N4C(=O)c5ccccc5C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L03 compound treatment 0.383 -0.0215 -0.68 0.376 -0.0245 -0.73 -0.9914 -0.9994 3019923 ChemDiv3_000245 CC1(C)CC(CC(C)(C)N1)NC(=O)/C=C/C(=O)NC2CC(C)(C)NC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L04 compound treatment 0.374 -0.0305 -0.96 0.39 -0.0105 -0.31 -0.8981 -0.8908 1260714 ChemDiv3_000246 CC(C)(C)c1ccc(O)c(CN2CCN(CC2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L05 compound treatment 0.399 -0.0055 -0.17 0.393 -0.0075 -0.22 -0.2794 -0.9923 3019924 ChemDiv3_000247 CC(C)N1C(=O)N(C(=CC1(C)C)C)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L06 compound treatment 0.417 0.0125 0.39 0.409 0.0085 0.25 0.456 0.9769 1635573 ChemDiv3_000248 COc1ccc(cc1CN2CCOCC2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L07 compound treatment 0.438 0.0335 1.05 0.432 0.0315 0.93 1.4048 0.9982 1417227 ChemDiv3_000249 C1CN(CCO1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L08 compound treatment 0.386 -0.0185 -0.58 0.387 -0.0135 -0.4 -0.6942 -0.9833 3019925 ChemDiv3_000250 Brc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L09 compound treatment 0.429 0.0245 0.77 0.4 -5.0E-4 -0.01 0.5343 0.6934 1196316 ChemDiv3_000251 COc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccnc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L10 compound treatment 0.407 0.0025 0.08 0.394 -0.0065 -0.19 -0.0806 -0.3875 1401655 ChemDiv3_000252 CCSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L11 compound treatment 0.375 -0.0295 -0.93 0.373 -0.0275 -0.81 -1.2321 -0.9979 1010418 ChemDiv3_000253 Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L12 compound treatment 0.396 -0.0085 -0.27 0.384 -0.0165 -0.49 -0.5347 -0.9596 1538510 ChemDiv3_000254 CCOC(=O)n1c(=O)oc2cc(Cl)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L13 compound treatment 0.405 5.0E-4 0.02 0.406 0.0055 0.16 0.1264 0.7717 1642025 ChemDiv3_000255 CCOC(=O)Nc1cc(=O)c2ccccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L14 compound treatment 0.371 -0.0335 -1.05 0.39 -0.0105 -0.31 -0.9648 -0.8784 1641183 ChemDiv3_000256 O=C(COC(=O)c1cc2ccccc2oc1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L15 compound treatment 0.388 -0.0165 -0.52 0.398 -0.0025 -0.07 -0.4192 -0.8 3019926 ChemDiv3_000257 O/N=C(\c1ccccc1)/C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L16 compound treatment 0.432 0.0275 0.86 0.406 0.0055 0.16 0.7267 0.8258 3117624 ChemDiv3_000258 CC[n+]1c(/C=C\2/CC(C)(C)CC(=C2)C)oc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L17 compound treatment 0.406 0.0015 0.05 0.419 0.0185 0.55 0.421 0.7651 1920076 ChemDiv3_000259 Cc1cc(C)c2ccc(/C=N/O)nc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L18 compound treatment 0.434 0.0295 0.93 0.399 -0.0015 -0.04 0.6245 0.6725 3117625 ChemDiv3_000260 CC[n+]1c(/C=C/2\CC(C)CC(=C2)C)sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L19 compound treatment 0.4 -0.0045 -0.14 0.396 -0.0045 -0.13 -0.1943 -0.9996 1315100 ChemDiv3_000261 CSc1nc2ccccc2n1CN(C)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L20 compound treatment 0.394 -0.0105 -0.33 0.389 -0.0115 -0.34 -0.4744 -0.9999 1305784 ChemDiv3_000262 COC(=O)c1cccc(n1)C(=O)Oc2ccc(OC(=O)c3cccc(n3)C(=O)OC)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L21 compound treatment 0.429 0.0245 0.77 0.424 0.0235 0.7 1.0371 0.9987 1433025 ChemDiv3_000263 Cc1cc(cc(C)c1N)C2(CCCCC2)c3cc(C)c(N)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L22 compound treatment 0.395 -0.0095 -0.3 0.392 -0.0085 -0.25 -0.3893 -0.9964 1464584 ChemDiv3_000264 CN(C)c1ccc(cc1)C(O)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L23 mock treatment 0.388 -0.0165 -0.52 0.39 -0.0105 -0.31 -0.5869 -0.9701 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 L24 mock treatment 0.415 0.0105 0.33 0.404 0.0035 0.1 0.3068 0.8865 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M01 compound treatment 0.43 0.0255 0.8 0.422 0.0215 0.64 1.0174 0.9935 1660133 ChemDiv3_000265 CC1=CC(=O)OC1Cc2ccc3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M02 compound treatment 0.394 -0.0105 -0.33 0.405 0.0045 0.13 -0.1392 -0.3909 1710588 ChemDiv3_000266 CC(=O)Nc1nc(cs1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M03 compound treatment 0.617 0.212 6.68 0.678 0.278 8.22 10.5391 0.9947 3117626 ChemDiv3_000267 C/N=C\1/S/C(=C\c2cn(CC(=O)O)c3ccccc23)/C(=O)N1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M04 compound treatment 0.405 5.0E-4 0.02 0.399 -0.0015 -0.04 -0.0203 -0.4308 3019928 ChemDiv3_000268 CC(C)(C)NC(=O)C[n+]1cccc(/C=N/O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M05 compound treatment 0.399 -0.0055 -0.17 0.397 -0.0035 -0.1 -0.1956 -0.9701 3117629 ChemDiv3_000269 CC(=O)OC1CCC(CC1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M06 compound treatment 0.434 0.0295 0.93 0.44 0.0395 1.17 1.4835 0.9934 3019929 ChemDiv3_000270 CC(=O)Nc1sc2CCCCc2c1SC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M07 compound treatment 0.377 -0.0275 -0.86 0.352 -0.0485 -1.44 -1.6276 -0.9704 3117630 ChemDiv3_000271 CCC1(CC)C(=[N+](C)c2ccccc21)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M08 compound treatment 0.396 -0.0085 -0.27 0.394 -0.0065 -0.19 -0.3252 -0.9871 1692026 ChemDiv3_000272 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccccc2C(=O)NC3CC(C)(C)NC(C)(C)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M09 compound treatment 0.365 -0.0395 -1.24 0.365 -0.0355 -1.05 -1.6221 -0.9966 3019876 ChemDiv3_000273 CC[n+]1c(C)sc(c1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M10 compound treatment 0.382 -0.0225 -0.71 0.389 -0.0115 -0.34 -0.7412 -0.9439 3117631 ChemDiv3_000274 NC(=O)c1ccc[n+](CC(=O)N2CCCCC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M11 compound treatment 0.403 -0.0015 -0.05 0.401 5.0E-4 0.01 -0.0229 -0.4627 1141301 ChemDiv3_000275 COC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M12 compound treatment 0.395 -0.0095 -0.3 0.401 5.0E-4 0.01 -0.2007 -0.6712 3117632 ChemDiv3_000276 O/N=C/c1cc[n+](CCC(=O)NCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M13 compound treatment 0.38 -0.0245 -0.77 0.389 -0.0115 -0.34 -0.7857 -0.9327 3019878 ChemDiv3_000277 Cc1cccc(NC(=O)/C=C/c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M14 compound treatment 0.39 -0.0145 -0.46 0.388 -0.0125 -0.37 -0.5843 -0.9947 3117633 ChemDiv3_000278 OC(=O)c1ccccc1NC(=O)C[n+]2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M15 compound treatment 0.39 -0.0145 -0.46 0.393 -0.0075 -0.22 -0.4795 -0.9454 1048436 ChemDiv3_000279 O=C(Nc1ccccc1)C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M16 compound treatment 0.416 0.0115 0.36 0.409 0.0085 0.25 0.4338 0.9844 1410422 ChemDiv3_000280 CCNc1c(N)c(=O)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M17 compound treatment 0.386 -0.0185 -0.58 0.376 -0.0245 -0.73 -0.9247 -0.994 3019903 ChemDiv3_000281 Nc1nonc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M18 compound treatment 0.434 0.0295 0.93 0.432 0.0315 0.93 1.3159 1.0 3019904 ChemDiv3_000282 CC(C)C1=CCC(C)/C(=C\c2ccc(Cl)cc2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M19 compound treatment 0.438 0.0335 1.05 0.442 0.0415 1.23 1.6144 0.997 1010017 ChemDiv3_000283 O=C1C=CC(=O)N1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M20 compound treatment 0.414 0.0095 0.3 0.397 -0.0035 -0.1 0.1379 0.4361 1922526 ChemDiv3_000284 Brc1ccccc1c2nc3ccccc3c4nc5ccccc5n24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M21 compound treatment 0.411 0.0065 0.2 0.38 -0.0205 -0.61 -0.285 -0.4447 1409537 ChemDiv3_000285 Nc1ccc(cc1)C(=O)CC(=O)Nc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M22 compound treatment 0.413 0.0085 0.27 0.42 0.0195 0.58 0.5976 0.9386 1104285 ChemDiv3_000286 OC(=O)c1cc2ccc3cccc4ccc(c1)c2c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M23 mock treatment 0.413 0.0085 0.27 0.403 0.0025 0.07 0.2414 0.8703 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 M24 mock treatment 0.417 0.0125 0.39 0.406 0.0055 0.16 0.3932 0.924 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N01 compound treatment 0.406 0.0015 0.05 0.418 0.0175 0.52 0.4 0.7683 3019905 ChemDiv3_000287 C/C(=C/C(=O)O)/C=C/c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N02 compound treatment 0.394 -0.0105 -0.33 0.388 -0.0125 -0.37 -0.4954 -0.9984 1113098 ChemDiv3_000288 O=C(Oc1ccccc1OC(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N03 compound treatment 0.386 -0.0185 -0.58 0.404 0.0035 0.1 -0.338 -0.572 1455237 ChemDiv3_000289 S=C1NCN(CN1)C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N04 compound treatment 0.373 -0.0315 -0.99 0.387 -0.0135 -0.4 -0.9832 -0.9205 1652365 ChemDiv3_000290 CC(C)c1cc(CN2CCN(CC2)c3ccccc3)c(O)c(CN4CCN(CC4)c5ccccc5)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N05 compound treatment 0.437 0.0325 1.02 0.412 0.0115 0.34 0.9636 0.8945 3019907 ChemDiv3_000291 CN(C)C/C(=N/O)/C(=O)Nc1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N06 compound treatment 0.394 -0.0105 -0.33 0.397 -0.0035 -0.1 -0.3068 -0.8865 1498499 ChemDiv3_000292 COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc(OC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N07 compound treatment 0.397 -0.0075 -0.24 0.387 -0.0135 -0.4 -0.4496 -0.9682 1034347 ChemDiv3_000293 N#CCCn1nnc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N08 compound treatment 0.366 -0.0385 -1.21 0.372 -0.0285 -0.84 -1.4532 -0.9845 3117634 ChemDiv3_000294 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N09 compound treatment 0.399 -0.0055 -0.17 0.398 -0.0025 -0.07 -0.1747 -0.9284 1051930 ChemDiv3_000295 C(c1ccccc1)n2ccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N10 compound treatment 0.408 0.0035 0.11 0.409 0.0085 0.25 0.2559 0.9311 1022496 ChemDiv3_000296 OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N11 compound treatment 0.376 -0.0285 -0.9 0.376 -0.0245 -0.73 -1.147 -0.9945 1579194 ChemDiv3_000297 CN(C)C(=O)c1ccc(Oc2ccc(cc2)C(=O)N(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N12 compound treatment 0.398 -0.0065 -0.2 0.397 -0.0035 -0.1 -0.2179 -0.9505 1676465 ChemDiv3_000298 Clc1ccc(cc1)C(=O)n2c(=O)oc3cc(Cl)ccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N13 compound treatment 0.424 0.0195 0.61 0.432 0.0315 0.93 1.0936 0.9792 1542255 ChemDiv3_000299 CCOC(=O)c1c(O)cc(C)cc1Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N14 compound treatment 0.398 -0.0065 -0.2 0.405 0.0045 0.13 -0.0502 -0.2058 3117635 ChemDiv3_000300 O=C(C[n+]1ccccc1)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N15 compound treatment 0.437 0.0325 1.02 0.438 0.0375 1.11 1.5083 0.9991 1382153 ChemDiv3_000301 O=C1N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N16 compound treatment 0.435 0.0305 0.96 0.436 0.0355 1.05 1.422 0.9989 1667966 ChemDiv3_000302 O=C(Nc1ccc(cc1)c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)C5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N17 compound treatment 0.413 0.0085 0.27 0.396 -0.0045 -0.13 0.0947 0.3171 3019932 ChemDiv3_000303 COC(=O)c1cc2cc(Br)ccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N18 compound treatment 0.402 -0.0025 -0.08 0.397 -0.0035 -0.1 -0.1289 -0.9907 1508788 ChemDiv3_000304 CC(=O)Nc1ccc2oc3ccccc3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N19 compound treatment 0.393 -0.0115 -0.36 0.408 0.0075 0.22 -0.0985 -0.2322 3019933 ChemDiv3_000305 NC(=O)CSc1nc2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N20 compound treatment 0.391 -0.0135 -0.42 0.395 -0.0055 -0.16 -0.4154 -0.9136 1682374 ChemDiv3_000306 COC(=O)c1cccc(n1)C(=O)Nc2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N21 compound treatment 0.418 0.0135 0.42 0.416 0.0155 0.46 0.6249 0.9992 1467868 ChemDiv3_000307 Cc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N22 compound treatment 0.39 -0.0145 -0.46 0.398 -0.0025 -0.07 -0.3748 -0.8114 3019936 ChemDiv3_000308 O=C/1OC(=N\C1=C/c2ccco2)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N23 mock treatment 0.394 -0.0105 -0.33 0.388 -0.0125 -0.37 -0.4954 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 N24 mock treatment 0.414 0.0095 0.3 0.409 0.0085 0.25 0.3893 0.9964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O01 compound treatment 0.433 0.0285 0.9 0.428 0.0275 0.81 1.2099 0.9989 3117636 ChemDiv3_000309 NNc1nc(cc(n1)c2ccccc2O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O02 compound treatment 0.424 0.0195 0.61 0.421 0.0205 0.61 0.8631 1.0 3019937 ChemDiv3_000310 CCCc1[nH]c(Br)nc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O03 compound treatment 0.401 -0.0035 -0.11 0.407 0.0065 0.19 0.0584 0.2631 1573334 ChemDiv3_000311 COc1nsnc1N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O04 compound treatment 0.399 -0.0055 -0.17 0.408 0.0075 0.22 0.0349 0.1238 3117637 ChemDiv3_000312 CN(C)C(=O)C[n+]1cccc(/C=N/O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O05 compound treatment 0.398 -0.0065 -0.2 0.427 0.0265 0.79 0.4107 0.5062 1280359 ChemDiv3_000313 CCCCC1CCC(CC1)c2ccc(cc2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O06 compound treatment 0.353 -0.0515 -1.62 0.36 -0.0405 -1.2 -1.9936 -0.9891 3019939 ChemDiv3_000314 C[n+]1ccccc1c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O07 compound treatment 0.405 5.0E-4 0.02 0.416 0.0155 0.46 0.3359 0.7309 1372721 ChemDiv3_000315 CCCCC1CCC(CC1)C(=O)Oc2ccc(OCC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O08 compound treatment 0.455 0.0505 1.59 0.447 0.0465 1.38 2.0971 0.9975 1559693 ChemDiv3_000316 CCOC(=O)c1[nH]c2ccc(OCC)cc2c1CCCN3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O09 compound treatment 0.415 0.0105 0.33 0.418 0.0175 0.52 0.6001 0.9762 1672292 ChemDiv3_000317 COC(=O)c1ccc2n(CCO)c(C)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O10 compound treatment 0.396 -0.0085 -0.27 0.406 0.0055 0.16 -0.0737 -0.2356 3117638 ChemDiv3_000318 CC(C)(C)CC[n+]1ccc(cc1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O11 compound treatment 0.399 -0.0055 -0.17 0.398 -0.0025 -0.07 -0.1747 -0.9284 3019783 ChemDiv3_000319 CN1C(N(C)c2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O12 compound treatment 0.398 -0.0065 -0.2 0.386 -0.0145 -0.43 -0.4483 -0.9423 3019784 ChemDiv3_000320 CC(C)(C)CC[n+]1ccc(/C=N/O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O13 compound treatment 0.389 -0.0155 -0.49 0.38 -0.0205 -0.61 -0.7742 -0.994 1564111 ChemDiv3_000321 Cc1ccc(cc1)C(=O)c2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O14 compound treatment 0.412 0.0075 0.24 0.415 0.0145 0.43 0.4706 0.9601 1011033 ChemDiv3_000322 Cc1nc(N)c(nc1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O15 compound treatment 0.468 0.0635 2.0 0.471 0.0705 2.09 2.889 0.9997 1628748 ChemDiv3_000323 CN(CC(=O)C1=C(C(=O)c2ccccc2C1=O)c3ccc(Br)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O16 compound treatment 0.42 0.0155 0.49 0.43 0.0295 0.87 0.9627 0.9619 1540210 ChemDiv3_000324 Nc1c(N2CCOCC2)c3ccccc3oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O17 compound treatment 0.45 0.0455 1.43 0.46 0.0595 1.76 2.2583 0.9946 1072203 ChemDiv3_000325 CCCn1c2ccccc2c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O18 compound treatment 0.415 0.0105 0.33 0.437 0.0365 1.08 0.9982 0.8827 3019785 ChemDiv3_000326 COc1ccc(/C=C/2\C(C)CC=C(C(C)C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O19 compound treatment 0.411 0.0065 0.2 0.416 0.0155 0.46 0.4693 0.9335 1084080 ChemDiv3_000327 CC[n+]1ccc(C)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O20 compound treatment 0.41 0.0055 0.17 0.414 0.0135 0.4 0.4051 0.9296 1594899 ChemDiv3_000328 COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O21 compound treatment 0.426 0.0215 0.68 0.441 0.0405 1.2 1.3266 0.9631 1181132 ChemDiv3_000329 O=C(NCC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O22 compound treatment 0.416 0.0115 0.36 0.435 0.0345 1.02 0.9786 0.9024 1124218 ChemDiv3_000330 CCc1nc(C)ccc1OCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O23 mock treatment 0.425 0.0205 0.64 0.428 0.0275 0.81 1.032 0.9933 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 O24 mock treatment 0.424 0.0195 0.61 0.418 0.0175 0.52 0.8002 0.9965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P01 compound treatment 0.436 0.0315 0.99 0.438 0.0375 1.11 1.4861 0.9984 1003174 ChemDiv3_000331 CC(O)c1ccc(Oc2ccc(cc2)C(C)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P02 compound treatment 0.424 0.0195 0.61 0.417 0.0165 0.49 0.7793 0.9937 3019787 ChemDiv3_000332 CN(C)c1ccc(/C=N/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P03 compound treatment 0.419 0.0145 0.46 0.44 0.0395 1.17 1.15 0.9155 1340347 ChemDiv3_000333 CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(c1O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P04 compound treatment 0.422 0.0175 0.55 0.443 0.0425 1.26 1.2796 0.9311 3019803 ChemDiv3_000334 COc1cccc2s/c(=N/C(=O)CC3(CC4CC5CC(C4)C3)C5)/n(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P05 compound treatment 0.425 0.0205 0.64 0.464 0.0635 1.88 1.7863 0.8981 1922875 ChemDiv3_000335 CCN(CC)C(=O)C1(CC2CC3C1)CC(C2)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P06 compound treatment 0.413 0.0085 0.27 0.409 0.0085 0.25 0.3671 0.9996 3117639 ChemDiv3_000336 O/N=C/c1cccc[n+]1CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P07 compound treatment 0.42 0.0155 0.49 0.426 0.0255 0.76 0.8789 0.9775 1035295 ChemDiv3_000337 CC(C)(C)N1C(=O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P08 compound treatment 0.431 0.0265 0.83 0.446 0.0455 1.35 1.5425 0.9732 1005478 ChemDiv3_000338 Nc1ccc(Oc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P09 compound treatment 0.437 0.0325 1.02 0.423 0.0225 0.67 1.194 0.9786 1734538 ChemDiv3_000339 OC(=O)CCNC(=O)c1ccco1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P10 compound treatment 0.526 0.122 3.82 0.523 0.123 3.63 5.2681 0.9997 3117642 ChemDiv3_000340 CN(C)c1ccc(/C=C/2\CCC/C(=C\c3ccccc3)/C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P11 compound treatment 0.407 0.0025 0.08 0.412 0.0115 0.34 0.2965 0.848 1511725 ChemDiv3_000341 COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P12 compound treatment 0.42 0.0155 0.49 0.419 0.0185 0.55 0.7323 0.9983 1287341 ChemDiv3_000342 O=S(=O)(N1CCOCC1)c2cccc(c2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P13 compound treatment 0.446 0.0415 1.3 0.449 0.0485 1.44 1.9389 0.9988 1166133 ChemDiv3_000343 CN(C)CCOC(=O)c1ccc2n(CCN(C)C)c(C)c(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P14 compound treatment 0.419 0.0145 0.46 0.43 0.0295 0.87 0.9405 0.954 1920545 ChemDiv3_000344 O=c1cc([nH]c(=S)[nH]1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P15 compound treatment 0.43 0.0255 0.8 0.437 0.0365 1.08 1.3317 0.9891 3117643 ChemDiv3_000345 Oc1ccc(Br)cc1/C=N\CC2(CC3CC4CC(C3)CC2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P16 compound treatment 0.427 0.0225 0.71 0.431 0.0305 0.9 1.1393 0.9927 1350693 ChemDiv3_000346 Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P17 compound treatment 0.418 0.0135 0.42 0.431 0.0305 0.9 0.9392 0.9406 1509469 ChemDiv3_000347 CCN(CC)C(=O)c1cc(nc2ccccc12)c3cc(C(=O)N(CC)CC)c4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P18 compound treatment 0.428 0.0235 0.74 0.433 0.0325 0.96 1.2035 0.9914 3019852 ChemDiv3_000348 O/N=C(\Cn1cncn1)/c2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P19 compound treatment 0.417 0.0125 0.39 0.427 0.0265 0.79 0.8332 0.9488 1127886 ChemDiv3_000349 C(Cc1nc2ccccc2o1)Cc3nc4ccccc4o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P20 compound treatment 0.457 0.0525 1.65 0.451 0.0505 1.5 2.2254 0.9988 1524725 ChemDiv3_000350 COC(=O)c1cccc(n1)C(=O)Nc2cnc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P21 compound treatment 0.452 0.0475 1.49 0.451 0.0505 1.5 2.1142 1.0 1740437 ChemDiv3_000351 OC(CNCc1ccccc1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P22 compound treatment 0.423 0.0185 0.58 0.442 0.0415 1.23 1.2809 0.9416 3019853 ChemDiv3_000352 Brc1ccc(cc1)S(=O)(=O)/N=C(\Oc2ccccc2)/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P23 mock treatment 0.416 0.0115 0.36 0.409 0.0085 0.25 0.4338 0.9844 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2001 P24 mock treatment 0.457 0.0525 1.65 0.464 0.0635 1.88 2.4978 0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A01 compound treatment 0.438 0.0326 1.03 0.444 0.034 1.01 1.4382 1.0 3117644 ChemDiv3_000353 Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A02 compound treatment 0.465 0.0596 1.87 0.47 0.06 1.78 2.5833 0.9997 1625003 ChemDiv3_000354 NS(=O)(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A03 compound treatment 0.427 0.0216 0.68 0.406 -0.00397 -0.12 0.3974 0.5762 1914243 ChemDiv3_000355 O=C(Oc1ccc2ccccc2c1)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A04 compound treatment 0.912 0.507 15.93 0.851 0.441 13.07 20.5048 0.9952 1922486 ChemDiv3_000356 O=C/1NC(=S)S\C1=C\Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A05 compound treatment 0.459 0.0536 1.69 0.453 0.043 1.28 2.0937 0.9905 1148913 ChemDiv3_000357 CC(C)(C)NC(=O)c1ccc2C(=O)c3ccccc3-c4onc1c42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A06 compound treatment 0.417 0.0116 0.37 0.433 0.023 0.68 0.7408 0.9571 1082370 ChemDiv3_000358 NCCSC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A07 compound treatment 0.444 0.0386 1.21 0.447 0.037 1.1 1.6344 0.9987 1561720 ChemDiv3_000359 Cc1ccc2nc(cc(C(=O)Nc3ccccc3)c2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A08 compound treatment 0.396 -0.00939 -0.3 0.437 0.027 0.8 0.3577 0.419 1739494 ChemDiv3_000360 CC(=O)Nc1c(N)c2ccccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A09 compound treatment 0.456 0.0506 1.59 0.476 0.066 1.96 2.5089 0.9947 1726014 ChemDiv3_000361 C(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Cc4c[nH]c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A10 compound treatment 0.43 0.0246 0.77 0.424 0.014 0.42 0.8413 0.9576 1003179 ChemDiv3_000362 COc1ccc(cc1)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A11 compound treatment 0.421 0.0156 0.49 0.417 0.00703 0.21 0.4945 0.9272 1574213 ChemDiv3_000363 COc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A12 compound treatment 0.425 0.0196 0.62 0.431 0.021 0.62 0.8768 1.0 3117645 ChemDiv3_000364 COc1ccc(/C=N/c2ccc(cc2)C(=O)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A13 compound treatment 0.41 0.00461 0.15 0.408 -0.00197 -0.06 0.0613 0.3923 3019887 ChemDiv3_000365 O/N=C(/c1ccccc1)\c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A14 compound treatment 0.427 0.0216 0.68 0.445 0.035 1.04 1.2146 0.9789 1478079 ChemDiv3_000366 Fc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A15 compound treatment 0.416 0.0106 0.33 0.425 0.015 0.45 0.5509 0.9899 3117646 ChemDiv3_000367 Cn1c2ccc(/N=C/c3ccccc3O)cc2c4nc5ccccc5nc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A16 compound treatment 0.433 0.0276 0.87 0.472 0.062 1.84 1.9137 0.9414 1190781 ChemDiv3_000368 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A17 compound treatment 0.431 0.0256 0.81 0.435 0.025 0.74 1.094 0.9992 3019890 ChemDiv3_000369 CCOC(=O)n1c(=S)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A18 compound treatment 0.408 0.00261 0.08 0.413 0.00303 0.09 0.1216 0.999 1644186 ChemDiv3_000370 CCOC(=O)COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A19 compound treatment 0.387 -0.0184 -0.58 0.409 -9.68E-4 -0.03 -0.4291 -0.7413 3117647 ChemDiv3_000371 COc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A20 compound treatment 0.383 -0.0224 -0.7 0.383 -0.027 -0.8 -1.0628 -0.998 1428551 ChemDiv3_000372 CCCC1(CCC2(CC1)c3ccc(C#N)cc3)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A21 compound treatment 0.349 -0.0564 -1.77 0.349 -0.061 -1.81 -2.5311 -1.0 3019912 ChemDiv3_000373 CC(C(=O)c1ccccc1)[n+]2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A22 compound treatment 0.387 -0.0184 -0.58 0.403 -0.00697 -0.21 -0.5548 -0.9037 3117648 ChemDiv3_000374 Cc1cccc(NC(=O)CN2C(=O)/C(=N\N)/c3ccccc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A23 mock treatment 0.395 -0.0104 -0.33 0.402 -0.00797 -0.24 -0.3979 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 A24 mock treatment 0.374 -0.0314 -0.99 0.405 -0.00497 -0.15 -0.8019 -0.8037 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B01 compound treatment 0.405 -3.87E-4 -0.01 0.422 0.012 0.36 0.2435 0.6826 3117649 ChemDiv3_000375 CCOC(=O)c1ccc(/N=C/c2ccc3OCOc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B02 compound treatment 0.393 -0.0124 -0.39 0.404 -0.00597 -0.18 -0.4005 -0.9362 1617961 ChemDiv3_000376 CC(C)OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(=O)OC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B03 compound treatment 0.396 -0.00939 -0.3 0.389 -0.021 -0.62 -0.648 -0.9421 1656957 ChemDiv3_000377 CC1(CN2CN3C1)C(=O)C(C2)(C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B04 compound treatment 0.394 -0.0114 -0.36 0.385 -0.025 -0.74 -0.7763 -0.9445 3117650 ChemDiv3_000378 COc1ccc(/C=C/2\C(C)CCC(C)(C(C)C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B05 compound treatment 0.412 0.00661 0.21 0.414 0.00403 0.12 0.2315 0.9654 1688345 ChemDiv3_000379 Oc1nc2SCCCn2c(=O)c1Cc3cc(Cl)cc(Cl)c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B06 compound treatment 0.395 -0.0104 -0.33 0.383 -0.027 -0.8 -0.796 -0.9221 3020471 ChemDiv3_000380 COc1ccc(cc1)c2c(C)s/c(=N\c3ccc(C)cc3)/n2CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B07 compound treatment 0.397 -0.00839 -0.26 0.4 -0.00997 -0.3 -0.3953 -0.9984 1735047 ChemDiv3_000381 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B08 compound treatment 0.426 0.0206 0.65 0.433 0.023 0.68 0.9409 0.9997 3020472 ChemDiv3_000382 COc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B09 compound treatment 0.405 -3.87E-4 -0.01 0.405 -0.00497 -0.15 -0.1127 -0.763 3020473 ChemDiv3_000383 CN(C)c1ccc(/C=N/c2cc(Br)c3OCCOc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B10 compound treatment 0.447 0.0416 1.31 0.447 0.037 1.1 1.7011 0.9962 3020474 ChemDiv3_000384 O=C1NC(=O)C(=Cc2ccc(o2)c3ccccc3)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B11 compound treatment 0.37 -0.0354 -1.11 0.378 -0.032 -0.95 -1.4566 -0.9968 3117651 ChemDiv3_000385 C(CSc1nc2ccccc2n1CCOc3ccccc3)Oc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B12 compound treatment 0.412 0.00661 0.21 0.419 0.00903 0.27 0.3363 0.9922 3020475 ChemDiv3_000386 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B13 compound treatment 0.405 -3.87E-4 -0.01 0.405 -0.00497 -0.15 -0.1127 -0.763 3117652 ChemDiv3_000387 CN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B14 compound treatment 0.392 -0.0134 -0.42 0.386 -0.024 -0.71 -0.7998 -0.9688 1709090 ChemDiv3_000388 CC(C)(C)NC(=S)NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B15 compound treatment 0.409 0.00361 0.11 0.391 -0.019 -0.56 -0.3171 -0.553 1222580 ChemDiv3_000389 C(n1ccc2ccccc12)C3(OCCO3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B16 compound treatment 0.4 -0.00539 -0.17 0.393 -0.017 -0.5 -0.4753 -0.8959 3020476 ChemDiv3_000390 Cn1c[n+](C)cc1C(O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B17 compound treatment 0.416 0.0106 0.33 0.418 0.00803 0.24 0.4043 0.9863 3117653 ChemDiv3_000391 C(=N/c1ccc2ccccc2c1)\c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B18 compound treatment 0.413 0.00761 0.24 0.445 0.035 1.04 0.9033 0.8479 3117654 ChemDiv3_000392 CC1(C)Cc2ccccc2/C(=N/c3nc(cs3)c4ccccc4)/N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B19 compound treatment 0.402 -0.00339 -0.11 0.396 -0.014 -0.41 -0.368 -0.861 1338386 ChemDiv3_000393 CCC1(CC2CC3(O)CC(O)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B20 compound treatment 0.417 0.0116 0.37 0.435 0.025 0.74 0.7827 0.9467 1917487 ChemDiv3_000394 CC(/N=C/c1c(O)ccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B21 compound treatment 0.423 0.0176 0.55 0.429 0.019 0.56 0.7904 1.0 3117655 ChemDiv3_000395 S=C/1OC(=C\C1=C/N2CCCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B22 compound treatment 0.413 0.00761 0.24 0.402 -0.00797 -0.24 0.0023 0.0069 3020477 ChemDiv3_000396 Cc1c(/N=C/2\SCC(=O)N2/N=C\c3ccc(Br)cc3)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B23 mock treatment 0.394 -0.0114 -0.36 0.402 -0.00797 -0.24 -0.4201 -0.9796 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 B24 mock treatment 0.413 0.00761 0.24 0.448 0.038 1.13 0.9661 0.8386 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C01 compound treatment 0.445 0.0396 1.25 0.443 0.033 0.98 1.5729 0.9929 3117656 ChemDiv3_000397 O/N=C\1/C(=O)N(CC(=O)Nc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C02 compound treatment 0.425 0.0196 0.62 0.429 0.019 0.56 0.8348 0.999 1329935 ChemDiv3_000398 O=C1N(CCC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C03 compound treatment 0.419 0.0136 0.43 0.411 0.00103 0.03 0.3243 0.7557 3020478 ChemDiv3_000399 Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C04 compound treatment 0.436 0.0306 0.96 0.427 0.017 0.5 1.0375 0.9546 3117657 ChemDiv3_000400 Cc1cc(C)c2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C05 compound treatment 0.399 -0.00639 -0.2 0.389 -0.021 -0.62 -0.5813 -0.8903 1721945 ChemDiv3_000401 Cc1ccc2c(=O)c(coc2c1)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C06 compound treatment 0.394 -0.0114 -0.36 0.393 -0.017 -0.5 -0.6087 -0.9862 1169311 ChemDiv3_000402 OC(=O)CSC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C07 compound treatment 0.426 0.0206 0.65 0.427 0.017 0.5 0.8152 0.9923 3117658 ChemDiv3_000403 COc1ccc(/C=C/2\CCCC3=C2NC(=S)NC3c4ccc(OC)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C08 compound treatment 0.407 0.00161 0.05 0.383 -0.027 -0.8 -0.5292 -0.6609 1345307 ChemDiv3_000404 Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C09 compound treatment 0.408 0.00261 0.08 0.462 0.052 1.54 1.1483 0.7437 3117659 ChemDiv3_000405 Cc1sc(/N=C/c2ccccc2O)c(C#N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C10 compound treatment 0.398 -0.00739 -0.23 0.405 -0.00497 -0.15 -0.2683 -0.9758 1625198 ChemDiv3_000406 COc1ccc(cc1OC)c2cnn(c2N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C11 compound treatment 0.371 -0.0344 -1.08 0.37 -0.04 -1.18 -1.602 -0.999 1460903 ChemDiv3_000407 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C12 compound treatment 0.416 0.0106 0.33 0.417 0.00703 0.21 0.3833 0.9743 3020479 ChemDiv3_000408 Fc1ccccc1/C=N/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C13 compound treatment 0.408 0.00261 0.08 0.411 0.00103 0.03 0.0797 0.9094 1489098 ChemDiv3_000409 CN1C2CCC1CC(C2)OC(=O)CCN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C14 compound treatment 0.401 -0.00439 -0.14 0.398 -0.012 -0.35 -0.3483 -0.9154 3117660 ChemDiv3_000410 CC(=O)NC1C(O)C(O)C(CO)OC1OCCOc2ccc(Cl)cc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C15 compound treatment 0.367 -0.0384 -1.21 0.392 -0.018 -0.53 -1.23 -0.9323 3020480 ChemDiv3_000411 Fc1ccccc1/C=C\2/SC(=O)N(CN3CCCCC3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C16 compound treatment 0.354 -0.0514 -1.62 0.357 -0.053 -1.57 -2.2524 -0.9999 3117661 ChemDiv3_000412 Cc1cs/c(=N\c2ccccc2)/n1CC(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C17 compound treatment 0.396 -0.00939 -0.3 0.399 -0.011 -0.32 -0.4385 -0.9988 1338722 ChemDiv3_000413 O=c1oc2ccccc2n1CNc3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C18 compound treatment 0.364 -0.0414 -1.3 0.346 -0.064 -1.9 -2.2605 -0.9832 3117662 ChemDiv3_000414 CCOc1ccc(cc1)[n+]2c(cn3CCCc32)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C19 compound treatment 0.384 -0.0214 -0.67 0.383 -0.027 -0.8 -1.0406 -0.9963 3117663 ChemDiv3_000415 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C20 compound treatment 0.445 0.0396 1.25 0.399 -0.011 -0.32 0.6509 0.5057 3020481 ChemDiv3_000416 CC(=C)C(=O)Nc1ccc(O)c(c1)c2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C21 compound treatment 0.372 -0.0334 -1.05 0.374 -0.036 -1.07 -1.4959 -1.0 3117664 ChemDiv3_000417 CC(C(=O)c1ccccc1)[n+]2cccc(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C22 compound treatment 0.371 -0.0344 -1.08 0.377 -0.033 -0.98 -1.4553 -0.9987 3020482 ChemDiv3_000418 N/C(=N\O)/C[n+]1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C23 mock treatment 0.383 -0.0224 -0.7 0.384 -0.026 -0.77 -1.0418 -0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 C24 mock treatment 0.404 -0.00139 -0.04 0.415 0.00503 0.15 0.0746 0.4802 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D01 compound treatment 0.406 6.13E-4 0.02 0.409 -9.68E-4 -0.03 -0.0066 -0.1925 3117665 ChemDiv3_000419 Brc1ccc(/C=N\C2C3CC4CC(C3)CC2C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D02 compound treatment 0.399 -0.00639 -0.2 0.409 -9.68E-4 -0.03 -0.1623 -0.8 1642252 ChemDiv3_000420 CC(C(CC(=O)O)C(=O)O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D03 compound treatment 0.388 -0.0174 -0.55 0.382 -0.028 -0.83 -0.9726 -0.9796 1348263 ChemDiv3_000421 CC(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D04 compound treatment 0.397 -0.00839 -0.26 0.398 -0.012 -0.35 -0.4372 -0.9894 1509351 ChemDiv3_000422 COc1ccc(cc1OC)C(=O)Nc2ccc3C(=O)N(C)C(=O)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D05 compound treatment 0.396 -0.00939 -0.3 0.401 -0.00897 -0.27 -0.3966 -0.9986 3020483 ChemDiv3_000423 CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)N(CC)C1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D06 compound treatment 0.418 0.0126 0.4 0.409 -9.68E-4 -0.03 0.2602 0.6543 3117666 ChemDiv3_000424 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(o2)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D07 compound treatment 0.406 6.13E-4 0.02 0.395 -0.015 -0.44 -0.3 -0.6757 1529711 ChemDiv3_000425 Oc1cc2ccccc2cc1C(=O)Nc3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D08 compound treatment 0.454 0.0486 1.53 0.456 0.046 1.36 2.0454 0.9984 3117667 ChemDiv3_000426 CN(C)c1ccc(cc1)c2cccc([o+]2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D09 compound treatment 0.405 -3.87E-4 -0.01 0.404 -0.00597 -0.18 -0.1336 -0.754 3020484 ChemDiv3_000427 Nc1nc2ccc(cc2s1)c3nc4ccccc4o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D10 compound treatment 0.426 0.0206 0.65 0.427 0.017 0.5 0.8152 0.9923 3117668 ChemDiv3_000428 Cn1c(c(/C=C\2/C(=O)Oc3ccccc3C2=O)c4ccccc14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D11 compound treatment 0.4 -0.00539 -0.17 0.403 -0.00697 -0.21 -0.2658 -0.9952 3020485 ChemDiv3_000429 CCC1SC2=NCN(CN2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D12 compound treatment 0.446 0.0406 1.28 0.464 0.054 1.6 2.0351 0.9937 1918348 ChemDiv3_000430 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D13 compound treatment 0.506 0.101 3.16 0.44 0.03 0.89 2.8663 0.8722 3117669 ChemDiv3_000431 CCN1/C(=C\2/SC(=S)NC2=O)/Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D14 compound treatment 0.417 0.0116 0.37 0.408 -0.00197 -0.06 0.217 0.5868 1556840 ChemDiv3_000432 Cc1ccc(NC(=S)NC(=O)C2(CC3CC4C2)CC(C3)CC4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D15 compound treatment 0.386 -0.0194 -0.61 0.396 -0.014 -0.41 -0.7237 -0.9822 1257795 ChemDiv3_000433 O=C1CSC(N1CCc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D16 compound treatment 0.4 -0.00539 -0.17 0.391 -0.019 -0.56 -0.5172 -0.8811 3020486 ChemDiv3_000434 C[n+]1cc(ccc1/C=N/O)C(=O)NCCC[N+]2(C)CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D17 compound treatment 0.461 0.0556 1.75 0.456 0.046 1.36 2.201 0.9925 1486295 ChemDiv3_000435 C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5cccnc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D18 compound treatment 0.391 -0.0144 -0.45 0.388 -0.022 -0.65 -0.7802 -0.9842 3117670 ChemDiv3_000436 Cc1cc2CC(C)(C)N/C(=N\c3ccccc3)/c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D19 compound treatment 0.378 -0.0274 -0.86 0.379 -0.031 -0.92 -1.2578 -0.9995 1377733 ChemDiv3_000437 OC(=O)C1(CC2CC3C1)CC(C2)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D20 compound treatment 0.393 -0.0124 -0.39 0.392 -0.018 -0.53 -0.6519 -0.9882 1712241 ChemDiv3_000438 CCOc1ccc(Nc2nc3cc(C)ccc3cc2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D21 compound treatment 0.427 0.0216 0.68 0.41 3.23E-5 0.0 0.4812 0.7081 3020487 ChemDiv3_000439 N/C=C/1\C=C(OC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D22 compound treatment 0.429 0.0236 0.74 0.422 0.012 0.36 0.7771 0.9435 3117671 ChemDiv3_000440 Cc1cccc(Nc2nc3ccccn3c(=O)c2/C=N/c4cccc(C)c4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D23 mock treatment 0.38 -0.0254 -0.8 0.393 -0.017 -0.5 -0.92 -0.9752 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 D24 mock treatment 0.413 0.00761 0.24 0.41 3.23E-5 0.0 0.1699 0.7099 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E01 compound treatment 0.417 0.0116 0.37 0.416 0.00603 0.18 0.3846 0.946 3020488 ChemDiv3_000441 O=C/1NC(=S)N\C1=C/c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E02 compound treatment 0.433 0.0276 0.87 0.432 0.022 0.65 1.0756 0.9901 1159657 ChemDiv3_000442 CC1SC(=NC1(O)C2(CC3CC4CC(C3)C2)C4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E03 compound treatment 0.38 -0.0254 -0.8 0.378 -0.032 -0.95 -1.2343 -0.9964 1407431 ChemDiv3_000443 Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E04 compound treatment 0.39 -0.0154 -0.48 0.396 -0.014 -0.41 -0.6348 -0.997 1509204 ChemDiv3_000444 COC(=O)C(C)Nc1cccc(Br)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E05 compound treatment 0.435 0.0296 0.93 0.427 0.017 0.5 1.0153 0.9586 3117672 ChemDiv3_000445 O=C(/C=C/c1ccco1)/C=C/c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E06 compound treatment 0.399 -0.00639 -0.2 0.402 -0.00797 -0.24 -0.309 -0.9968 1168228 ChemDiv3_000446 CNC1(CC2CC3CC(S)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E07 compound treatment 0.404 -0.00139 -0.04 0.402 -0.00797 -0.24 -0.1978 -0.8238 3117673 ChemDiv3_000447 OC(=O)CCC(=O)N1N=C/2C(CCC\C2=C/c3ccc(F)cc3)C1c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E08 compound treatment 0.438 0.0326 1.03 0.439 0.029 0.86 1.3334 0.9962 1139169 ChemDiv3_000448 C1CCN(CC1)Sc2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E09 compound treatment 0.421 0.0156 0.49 0.417 0.00703 0.21 0.4945 0.9272 1916119 ChemDiv3_000449 Brc1ccc(cc1)C(=O)COC(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E10 compound treatment 0.403 -0.00239 -0.08 0.404 -0.00597 -0.18 -0.1781 -0.9272 3020489 ChemDiv3_000450 Oc1ccc(Br)cc1/C=N/c2cc3OCCOc3cc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E11 compound treatment 0.409 0.00361 0.11 0.409 -9.68E-4 -0.03 0.0601 0.5125 3117674 ChemDiv3_000451 NC(=S)NC(=O)/C=C/c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E12 compound treatment 0.414 0.00861 0.27 0.408 -0.00197 -0.06 0.1503 0.5424 3020490 ChemDiv3_000452 Fc1ccc(/N=C/c2ccccc2F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E13 compound treatment 0.382 -0.0234 -0.74 0.393 -0.017 -0.5 -0.8755 -0.9828 1516214 ChemDiv3_000453 CN(Cc1ccccc1)C(=O)CN2CCCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E14 compound treatment 0.384 -0.0214 -0.67 0.388 -0.022 -0.65 -0.9358 -0.9999 1022614 ChemDiv3_000454 OCCNC(=O)COc1ccc(Cl)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E15 compound treatment 0.394 -0.0114 -0.36 0.387 -0.023 -0.68 -0.7344 -0.955 3117675 ChemDiv3_000455 Cc1ccc(cc1)c2cs/c(=N/C(=O)Nc3ccccc3)/[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E16 compound treatment 0.412 0.00661 0.21 0.398 -0.012 -0.35 -0.1037 -0.2523 3020491 ChemDiv3_000456 Clc1ccc(cc1Cl)c2cnc3CCCn23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E17 compound treatment 0.433 0.0276 0.87 0.428 0.018 0.53 0.9918 0.9728 3117676 ChemDiv3_000457 CCSc1nnc(NC(=O)/C=C/c2ccccc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E18 compound treatment 0.383 -0.0224 -0.7 0.397 -0.013 -0.38 -0.7695 -0.9595 1523604 ChemDiv3_000458 CC(C)C1CCC(C)CC1OCC(O)C[N+]2(C)CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E19 compound treatment 0.456 0.0506 1.59 0.474 0.064 1.9 2.467 0.9962 3020492 ChemDiv3_000459 O=C(/C=C\1/Nc2ccccc2NC1=O)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E20 compound treatment 0.392 -0.0134 -0.42 0.402 -0.00797 -0.24 -0.4646 -0.9626 3117677 ChemDiv3_000460 c1ccc2[nH]c(nc2c1)c3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E21 compound treatment 0.379 -0.0264 -0.83 0.382 -0.028 -0.83 -1.1727 -1.0 3020493 ChemDiv3_000461 O=C1N(C(=O)C(=Cc2ccccc2)C(=O)N1c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E22 compound treatment 0.404 -0.00139 -0.04 0.396 -0.014 -0.41 -0.3235 -0.7773 1013141 ChemDiv3_000462 C[n+]1cccc(c1)C(=O)NO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E23 mock treatment 0.396 -0.00939 -0.3 0.379 -0.031 -0.92 -0.8576 -0.8897 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 E24 mock treatment 0.39 -0.0154 -0.48 0.396 -0.014 -0.41 -0.6348 -0.997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F01 compound treatment 0.429 0.0236 0.74 0.433 0.023 0.68 1.0076 0.9991 1512742 ChemDiv3_000463 CN(C)CCNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F02 compound treatment 0.403 -0.00239 -0.08 0.39 -0.02 -0.59 -0.4715 -0.7905 1734477 ChemDiv3_000464 O=c1n(Cc2ccccc2)c3ccccc3n1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F03 compound treatment 0.437 0.0316 0.99 0.438 0.028 0.83 1.2902 0.996 3117678 ChemDiv3_000465 CCN(CC)C(=S)Sc1ncnc2sc3CCCCc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F04 compound treatment 0.406 6.13E-4 0.02 0.401 -0.00897 -0.27 -0.1743 -0.6541 3020494 ChemDiv3_000466 COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F05 compound treatment 0.427 0.0216 0.68 0.426 0.016 0.48 0.8165 0.9847 3020545 ChemDiv3_000467 C=CCN1C(=O)NC(=O)/C(=C/c2ccco2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F06 compound treatment 0.432 0.0266 0.84 0.424 0.014 0.42 0.8857 0.9479 1529101 ChemDiv3_000468 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F07 compound treatment 0.438 0.0326 1.03 0.423 0.013 0.39 0.9982 0.9109 1408295 ChemDiv3_000469 Clc1ccc(OCC(=O)CC(=O)c2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F08 compound treatment 0.403 -0.00239 -0.08 0.416 0.00603 0.18 0.0733 0.3782 1428920 ChemDiv3_000470 Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F09 compound treatment 0.395 -0.0104 -0.33 0.387 -0.023 -0.68 -0.7122 -0.9434 1291361 ChemDiv3_000471 Nc1ccc(cc1)C(=O)OCc2nc3cc4ccccc4cc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F10 compound treatment 0.411 0.00561 0.18 0.394 -0.016 -0.47 -0.2098 -0.4154 1234670 ChemDiv3_000472 CCOC(=O)c1oc2ccccc2c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F11 compound treatment 0.429 0.0236 0.74 0.419 0.00903 0.27 0.7143 0.905 1627155 ChemDiv3_000473 CN1C(=O)C(O)N(C1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F12 compound treatment 0.423 0.0176 0.55 0.399 -0.011 -0.32 0.1618 0.252 3020546 ChemDiv3_000474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F13 compound treatment 0.495 0.0896 2.82 0.46 0.05 1.48 3.0408 0.955 3117679 ChemDiv3_000475 CCN1/C(=C\2/SC(=S)N(CC=C)C2=O)/Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F14 compound treatment 0.391 -0.0144 -0.45 0.391 -0.019 -0.56 -0.7173 -0.9942 3117681 ChemDiv3_000476 Cc1ccc(cc1)C2(CC3CC4CC(C3)(C2)C(=O)NC5=NCCS5)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F15 compound treatment 0.395 -0.0104 -0.33 0.393 -0.017 -0.5 -0.5865 -0.9782 1673178 ChemDiv3_000477 COc1cc(cc(OC)c1OC)C2SC(C)C(=O)N2CCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F16 compound treatment 0.437 0.0316 0.99 0.444 0.034 1.01 1.4159 1.0 3117682 ChemDiv3_000478 COC(=O)/C=C/S(=O)(=O)c1ccc(NC(=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F17 compound treatment 0.423 0.0176 0.55 0.415 0.00503 0.15 0.497 0.8666 1500308 ChemDiv3_000479 Cc1ccc2c(=O)cc(oc2c1)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F18 compound treatment 0.416 0.0106 0.33 0.408 -0.00197 -0.06 0.1947 0.5748 3020547 ChemDiv3_000480 CC(=C1C(=NN(C1=O)c2ccccc2)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F19 compound treatment 0.388 -0.0174 -0.55 0.397 -0.013 -0.38 -0.6583 -0.9851 1047176 ChemDiv3_000481 CCOC(=O)c1cc[nH]c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F20 compound treatment 0.452 0.0466 1.47 0.464 0.054 1.6 2.1685 0.999 3117683 ChemDiv3_000482 O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F21 compound treatment 0.397 -0.00839 -0.26 0.403 -0.00697 -0.21 -0.3325 -0.9927 3020548 ChemDiv3_000483 c1cc2cc(oc2s1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F22 compound treatment 0.432 0.0266 0.84 0.426 0.016 0.48 0.9276 0.964 1488230 ChemDiv3_000484 COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F23 mock treatment 0.387 -0.0184 -0.58 0.372 -0.038 -1.13 -1.2043 -0.9521 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 F24 mock treatment 0.419 0.0136 0.43 0.414 0.00403 0.12 0.3872 0.8712 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G01 compound treatment 0.426 0.0206 0.65 0.433 0.023 0.68 0.9409 0.9997 1360606 ChemDiv3_000485 CC(C)C(=O)Oc1cc(OC(=O)C(C)C)c2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G02 compound treatment 0.427 0.0216 0.68 0.423 0.013 0.39 0.7536 0.9641 1922577 ChemDiv3_000486 Cc1[nH]c(=S)[nH]c1C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G03 compound treatment 0.411 0.00561 0.18 0.407 -0.00297 -0.09 0.0626 0.3175 1463550 ChemDiv3_000487 Fc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G04 compound treatment 0.394 -0.0114 -0.36 0.396 -0.014 -0.41 -0.5458 -0.9974 3020549 ChemDiv3_000488 COc1ccc(/C=C\2/SC(=S)N(C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G05 compound treatment 0.435 0.0296 0.93 0.439 0.029 0.86 1.2667 0.9992 3117684 ChemDiv3_000489 O=C/1/C(=C/c2ccccn2)/CC\C1=C/c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G06 compound treatment 0.42 0.0146 0.46 0.397 -0.013 -0.38 0.0532 0.0888 1021484 ChemDiv3_000490 O=C1CSC(N1Cc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G07 compound treatment 0.44 0.0346 1.09 0.426 0.016 0.48 1.1055 0.9309 1308794 ChemDiv3_000491 Nc1ncc(s1)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G08 compound treatment 0.405 -3.87E-4 -0.01 0.398 -0.012 -0.35 -0.2594 -0.7309 1604550 ChemDiv3_000492 CCN1CCCC1CNC(=O)c2cc(NC(=O)C)c(cc2OC)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G09 compound treatment 0.379 -0.0264 -0.83 0.344 -0.066 -1.95 -1.9689 -0.9272 3020550 ChemDiv3_000493 Cn/1cccc\c1=N\c2cccc[n+]2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G10 compound treatment 0.415 0.00961 0.3 0.391 -0.019 -0.56 -0.1837 -0.2878 3020551 ChemDiv3_000494 Cc1ccc(/C=N/c2cccc(Cl)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G11 compound treatment 0.473 0.0676 2.13 0.447 0.037 1.1 2.2792 0.9527 1452502 ChemDiv3_000495 Cc1cc(Nc2ccc(Cl)cc2)n3c4ccccc4nc3c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G12 compound treatment 0.438 0.0326 1.03 0.416 0.00603 0.18 0.8515 0.818 1609352 ChemDiv3_000496 Nc1ccc2[nH]c(nc2c1)c3ccccc3c4nc5cc(N)ccc5[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G13 compound treatment 0.428 0.0226 0.71 0.416 0.00603 0.18 0.6292 0.8582 3117685 ChemDiv3_000497 Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G14 compound treatment 0.46 0.0546 1.72 0.434 0.024 0.71 1.7178 0.924 1253750 ChemDiv3_000498 COc1ccc(cc1)N(C2SC(=O)N(C2=O)c3ccccc3)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G15 compound treatment 0.419 0.0136 0.43 0.412 0.00203 0.06 0.3452 0.7987 3020552 ChemDiv3_000499 Cc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G16 compound treatment 0.372 -0.0334 -1.05 0.358 -0.052 -1.54 -1.8312 -0.9826 3117686 ChemDiv3_000500 CCOc1ccc(cc1)[n+]2c(cn3CCCCCc32)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G17 compound treatment 0.419 0.0136 0.43 0.419 0.00903 0.27 0.4919 0.9744 1162912 ChemDiv3_000501 CCc1ccc(cc1)c2nc3ccccc3c(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G18 compound treatment 0.405 -3.87E-4 -0.01 0.411 0.00103 0.03 0.013 0.3956 1671355 ChemDiv3_000502 O=C(Oc1ccc2cc(OC(=O)c3ccccc3)ccc2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G19 compound treatment 0.398 -0.00739 -0.23 0.413 0.00303 0.09 -0.1007 -0.4044 1168078 ChemDiv3_000503 COC(=O)C1=C(C)NC(=O)NC1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G20 compound treatment 0.401 -0.00439 -0.14 0.397 -0.013 -0.38 -0.3693 -0.9044 1591511 ChemDiv3_000504 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G21 compound treatment 0.401 -0.00439 -0.14 0.408 -0.00197 -0.06 -0.1388 -0.9266 1660119 ChemDiv3_000505 CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G22 compound treatment 0.432 0.0266 0.84 0.416 0.00603 0.18 0.7181 0.8392 1447109 ChemDiv3_000506 CC(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G23 mock treatment 0.392 -0.0134 -0.42 0.382 -0.028 -0.83 -0.8836 -0.9507 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 G24 mock treatment 0.408 0.00261 0.08 0.4 -0.00997 -0.3 -0.1508 -0.4917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H01 compound treatment 0.438 0.0326 1.03 0.54 0.13 3.85 3.4496 0.8652 1421806 ChemDiv3_000507 Nc1sc(c(Cc2ccccc2)c1C(=O)O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H02 compound treatment 0.413 0.00761 0.24 0.403 -0.00697 -0.21 0.0233 0.0736 3020553 ChemDiv3_000508 Cc1ccc2n(CC=C)c(=O)n(CC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H03 compound treatment 0.461 0.0556 1.75 0.42 0.01 0.3 1.4467 0.8156 3117687 ChemDiv3_000509 Clc1ccccc1/C=C/C=N/c2ccc(cc2)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H04 compound treatment 0.432 0.0266 0.84 0.411 0.00103 0.03 0.6133 0.7325 1282292 ChemDiv3_000510 CC(C)CNP(=O)(OC1CC(C)CCC1C(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H05 compound treatment 0.48 0.0746 2.35 0.388 -0.022 -0.65 1.1987 0.4923 3020554 ChemDiv3_000511 CN1C(=O)N(C)C(=O)C(=CNC2(CC3CC4CC(C3)C2)C4)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H06 compound treatment 0.451 0.0456 1.43 0.396 -0.014 -0.41 0.7215 0.4833 1916294 ChemDiv3_000512 O=C(NC(Sc1ncccn1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H07 compound treatment 0.519 0.114 3.57 0.469 0.059 1.75 3.7629 0.946 1433778 ChemDiv3_000513 OC(=O)CSc1nc2ccccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H08 compound treatment 0.57 0.165 5.18 0.419 0.00903 0.27 3.8492 0.7427 1920143 ChemDiv3_000514 Sc1n[n+]2c(cc(nc2s1)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H09 compound treatment 0.489 0.0836 2.63 0.396 -0.014 -0.41 1.5664 0.5885 3020555 ChemDiv3_000515 Nc1cc(N)cc(c1)C(=O)OCN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H10 compound treatment 0.51 0.105 3.29 0.408 -0.00197 -0.06 2.2847 0.6945 3117688 ChemDiv3_000516 O=C(NCc1ccccc1)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H11 compound treatment 0.461 0.0556 1.75 0.399 -0.011 -0.32 1.0067 0.566 3117689 ChemDiv3_000517 CCN1/C(=C\2/N(C(=S)N(C)C2=O)c3ccccc3)/C=Cc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H12 compound treatment 0.429 0.0236 0.74 0.398 -0.012 -0.35 0.2743 0.3333 1591023 ChemDiv3_000518 CC(=O)Nc1ccc(NS(=O)(=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H13 compound treatment 0.438 0.0326 1.03 0.389 -0.021 -0.62 0.2858 0.2384 3020556 ChemDiv3_000519 CC/C(=C\c1sc2ccc(OC)cc2[n+]1CC)/SCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H14 compound treatment 0.453 0.0476 1.5 0.431 0.021 0.62 1.4993 0.9246 1680898 ChemDiv3_000520 S=C(NC1CCCCC1)C2(CC3CC4CC(C3)CC2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H15 compound treatment 0.441 0.0356 1.12 0.405 -0.00497 -0.15 0.6877 0.6089 1183680 ChemDiv3_000521 Clc1ccccc1NC(=O)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H16 compound treatment 0.496 0.0906 2.85 0.387 -0.023 -0.68 1.5334 0.5235 1868581 ChemDiv3_000522 Nc1cc(=O)[nH]c(SCC=C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H17 compound treatment 0.476 0.0706 2.22 0.399 -0.011 -0.32 1.3402 0.5972 1530765 ChemDiv3_000523 CC(C)(O)C1(CC2CC3C1)CC(C2)(C3)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H18 compound treatment 0.513 0.108 3.38 0.399 -0.011 -0.32 2.1629 0.6363 1142850 ChemDiv3_000524 CC1(C)CC(C)(O)P(=O)(O1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H19 compound treatment 0.544 0.139 4.36 0.387 -0.023 -0.68 2.6007 0.5895 1258965 ChemDiv3_000525 COC(OC)(C(=O)c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H20 compound treatment 0.567 0.162 5.08 0.431 0.021 0.62 4.034 0.7879 1712075 ChemDiv3_000526 Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H21 compound treatment 0.488 0.0826 2.6 0.421 0.011 0.33 2.068 0.7899 3020557 ChemDiv3_000527 CC(C)(C)N/C=C\1/C=C(SC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H22 compound treatment 0.442 0.0366 1.15 0.381 -0.029 -0.86 0.2071 0.1442 1374190 ChemDiv3_000528 COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H23 mock treatment 0.406 6.13E-4 0.02 0.511 0.101 2.99 2.1305 0.7116 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 H24 mock treatment 0.424 0.0186 0.59 0.411 0.00103 0.03 0.4355 0.743 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I01 compound treatment 0.448 0.0426 1.34 0.445 0.035 1.04 1.6815 0.992 1677573 ChemDiv3_000529 CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I02 compound treatment 0.437 0.0316 0.99 0.435 0.025 0.74 1.2274 0.9896 1561089 ChemDiv3_000530 C1C2CC3CC1CC(C2)(C3)c4coc(n4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I03 compound treatment 0.425 0.0196 0.62 0.43 0.02 0.59 0.8558 0.9998 1284188 ChemDiv3_000531 CN(C)c1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I04 compound treatment 0.362 -0.0434 -1.36 0.372 -0.038 -1.13 -1.7602 -0.9954 3020558 ChemDiv3_000532 O=C/1N(CNc2ccccc2)C(=S)S\C1=C\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I05 compound treatment 0.422 0.0166 0.52 0.406 -0.00397 -0.12 0.2862 0.5346 3117690 ChemDiv3_000533 O=C/1/C(=C/c2cc3ccccc3o2)/CC\C1=C/c4cc5ccccc5o4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I06 compound treatment 0.428 0.0226 0.71 0.438 0.028 0.83 1.0901 0.997 1740048 ChemDiv3_000534 Cc1ccc(cc1C)C2(CC3CC4CC(CN)(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I07 compound treatment 0.449 0.0436 1.37 0.418 0.00803 0.24 1.138 0.8176 3117691 ChemDiv3_000535 CC(C)C1CCC(C)/C(=C\c2ccc(N)cc2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I08 compound treatment 0.419 0.0136 0.43 0.412 0.00203 0.06 0.3452 0.7987 3020559 ChemDiv3_000536 Cc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I09 compound treatment 0.384 -0.0214 -0.67 0.373 -0.037 -1.1 -1.2501 -0.9726 3117692 ChemDiv3_000537 Cn1c(c2ccc3ccccc3n2)[n+](C)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I10 compound treatment 0.412 0.00661 0.21 0.409 -9.68E-4 -0.03 0.1268 0.6039 3020560 ChemDiv3_000538 Cc1ccc(/C=N/c2cccc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I11 compound treatment 0.442 0.0366 1.15 0.42 0.01 0.3 1.0243 0.8614 3117694 ChemDiv3_000539 CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I12 compound treatment 0.393 -0.0124 -0.39 0.4 -0.00997 -0.3 -0.4843 -0.9907 1294664 ChemDiv3_000540 O=S(=O)(N1CCCc2ccccc12)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I13 compound treatment 0.407 0.00161 0.05 0.394 -0.016 -0.47 -0.2987 -0.6277 3020561 ChemDiv3_000541 CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c3ccc(N)cc3)cc1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I14 compound treatment 0.398 -0.00739 -0.23 0.386 -0.024 -0.71 -0.6664 -0.8919 1029333 ChemDiv3_000542 COc1ccc(cc1)S(=O)(=O)c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I15 compound treatment 0.388 -0.0174 -0.55 0.371 -0.039 -1.15 -1.2031 -0.9417 3117695 ChemDiv3_000543 Cc1ccc(cc1)N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I16 compound treatment 0.356 -0.0494 -1.55 0.353 -0.057 -1.69 -2.2917 -0.9991 3020562 ChemDiv3_000544 COc1ccc(cc1)C(=O)C[n+]2cc(c3ccc(OC)cc3)n4CCCCCc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I17 compound treatment 0.417 0.0116 0.37 0.414 0.00403 0.12 0.3427 0.8919 1434553 ChemDiv3_000545 CCc1ccc(cc1)C(=O)Nc2ccc(Br)cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I18 compound treatment 0.462 0.0566 1.78 0.473 0.063 1.87 2.5794 0.9997 3117696 ChemDiv3_000546 OC1=C(C(N(C1=O)c2ccccc2)c3ccccc3)C(=O)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I19 compound treatment 0.398 -0.00739 -0.23 0.384 -0.026 -0.77 -0.7083 -0.8813 1267294 ChemDiv3_000547 COc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I20 compound treatment 0.392 -0.0134 -0.42 0.396 -0.014 -0.41 -0.5903 -1.0 1626144 ChemDiv3_000548 CC(C)C1CCC(=C(Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I21 compound treatment 0.419 0.0136 0.43 0.415 0.00503 0.15 0.4081 0.9004 3020563 ChemDiv3_000549 Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I22 compound treatment 0.399 -0.00639 -0.2 0.396 -0.014 -0.41 -0.4347 -0.9449 1738105 ChemDiv3_000550 CNC(=O)C1OC(C)(OC1C(=O)NC)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I23 mock treatment 0.636 0.231 7.25 0.452 0.042 1.25 6.0081 0.8166 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 I24 mock treatment 0.4 -0.00539 -0.17 0.4 -0.00997 -0.3 -0.3286 -0.9652 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J01 compound treatment 0.481 0.0756 2.38 0.479 0.069 2.05 3.1276 0.9972 3020564 ChemDiv3_000551 COc1ccccc1NC(=O)c2c(/N=C/c3c(O)ccc4ccccc34)cnn2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J02 compound treatment 0.396 -0.00939 -0.3 0.39 -0.02 -0.59 -0.6271 -0.9484 3117697 ChemDiv3_000552 FC(F)(F)c1nc2cc(Cl)ccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J03 compound treatment 0.406 6.13E-4 0.02 0.413 0.00303 0.09 0.0772 0.8397 1921072 ChemDiv3_000553 Clc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J04 compound treatment 0.403 -0.00239 -0.08 0.399 -0.011 -0.32 -0.2829 -0.8481 1215794 ChemDiv3_000554 Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J05 compound treatment 0.391 -0.0144 -0.45 0.407 -0.00297 -0.09 -0.3821 -0.829 3020627 ChemDiv3_000555 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J06 compound treatment 0.395 -0.0104 -0.33 0.387 -0.023 -0.68 -0.7122 -0.9434 1612444 ChemDiv3_000556 O=C(NCn1ccc(=O)[nH]c1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J07 compound treatment 0.418 0.0126 0.4 0.417 0.00703 0.21 0.4278 0.9549 1318279 ChemDiv3_000557 S=C(N1CCOCC1)c2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J08 compound treatment 0.398 -0.00739 -0.23 0.374 -0.036 -1.07 -0.9179 -0.8415 1916211 ChemDiv3_000558 CC(=O)N[N+]1=C(N)c2ccccc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J09 compound treatment 0.459 0.0536 1.69 0.416 0.00603 0.18 1.3184 0.7777 3020628 ChemDiv3_000559 Cc1c(/C=C/2\SC(=NC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J10 compound treatment 0.408 0.00261 0.08 0.404 -0.00597 -0.18 -0.0669 -0.3433 1181384 ChemDiv3_000560 CCN(CC)Cn1c(=S)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J11 compound treatment 0.361 -0.0444 -1.4 0.364 -0.046 -1.36 -1.95 -0.9999 1918939 ChemDiv3_000561 CCn1c(C)nc2cc(ccc12)S(=O)(=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J12 compound treatment 0.399 -0.00639 -0.2 0.392 -0.018 -0.53 -0.5185 -0.9112 1013703 ChemDiv3_000562 OC(=O)CNc1ccc(cc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J13 compound treatment 0.415 0.00961 0.3 0.423 0.013 0.39 0.4868 0.9927 3117698 ChemDiv3_000563 COc1ccc2cc(C(=O)NC(=O)C)/c(=N/c3ccccc3)/oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J14 compound treatment 0.435 0.0296 0.93 0.419 0.00903 0.27 0.8477 0.8749 1005380 ChemDiv3_000564 O=C(Oc1cccc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J15 compound treatment 0.395 -0.0104 -0.33 0.392 -0.018 -0.53 -0.6074 -0.9725 1320959 ChemDiv3_000565 Cc1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J16 compound treatment 0.403 -0.00239 -0.08 0.398 -0.012 -0.35 -0.3038 -0.8382 3117699 ChemDiv3_000566 Cc1cccc(/C=N/c2ccc(cc2)c3nc4cc(C)c(C)cc4o3)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J17 compound treatment 0.407 0.00161 0.05 0.41 3.23E-5 0.0 0.0365 0.7203 1212050 ChemDiv3_000567 OC1(C2CC3CC(C2)CC1C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J18 compound treatment 0.405 -3.87E-4 -0.01 0.403 -0.00697 -0.21 -0.1546 -0.7475 1521008 ChemDiv3_000568 CCN(CC)P1(=O)OC(C)(C)CC1(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J19 compound treatment 0.411 0.00561 0.18 0.413 0.00303 0.09 0.1883 0.951 1778430 ChemDiv3_000569 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J20 compound treatment 0.41 0.00461 0.15 0.415 0.00503 0.15 0.208 0.9999 1147350 ChemDiv3_000570 Clc1cccc(NCN2C(=O)CCC2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J21 compound treatment 0.427 0.0216 0.68 0.446 0.036 1.07 1.2355 0.9762 3020629 ChemDiv3_000571 CN(C)/C=C\1/C=C(SC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J22 compound treatment 0.374 -0.0314 -0.99 0.38 -0.03 -0.89 -1.3258 -0.9986 3117701 ChemDiv3_000572 CC(CC(=O)Nc1ccccc1I)Cc2cc(C)cc(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J23 mock treatment 0.389 -0.0164 -0.52 0.405 -0.00497 -0.15 -0.4684 -0.8741 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 J24 mock treatment 0.419 0.0136 0.43 0.406 -0.00397 -0.12 0.2195 0.4946 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K01 compound treatment 0.442 0.0366 1.15 0.443 0.033 0.98 1.5062 0.9967 3020630 ChemDiv3_000573 Brc1ccc(/C=N/c2nnc(NC(=O)/C=C/c3ccccc3)s2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K02 compound treatment 0.438 0.0326 1.03 0.449 0.039 1.16 1.5429 0.9982 1679209 ChemDiv3_000574 O=C(CSC#N)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K03 compound treatment 0.404 -0.00139 -0.04 0.415 0.00503 0.15 0.0746 0.4802 1307245 ChemDiv3_000575 CCN(CC)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K04 compound treatment 0.404 -0.00139 -0.04 0.389 -0.021 -0.62 -0.4702 -0.7549 3020631 ChemDiv3_000576 FC(F)(F)C(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K05 compound treatment 0.4 -0.00539 -0.17 0.389 -0.021 -0.62 -0.5591 -0.8682 3117702 ChemDiv3_000577 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2/N=C/c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K06 compound treatment 0.394 -0.0114 -0.36 0.414 0.00403 0.12 -0.1687 -0.4469 3020632 ChemDiv3_000578 CC(=C)C(=O)Nc1ccc2C(=O)NC(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K07 compound treatment 0.435 0.0296 0.93 0.425 0.015 0.45 0.9734 0.943 3117703 ChemDiv3_000579 CC(C)C1CCC(C)/C(=C\c2ccc(cc2)N(C)C)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K08 compound treatment 0.396 -0.00939 -0.3 0.396 -0.014 -0.41 -0.5014 -0.9863 3020633 ChemDiv3_000580 COc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K09 compound treatment 0.411 0.00561 0.18 0.394 -0.016 -0.47 -0.2098 -0.4154 3020634 ChemDiv3_000581 C[n+]1cc(cc2ccccc12)c3ccc4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K10 compound treatment 0.398 -0.00739 -0.23 0.392 -0.018 -0.53 -0.5407 -0.9309 3117704 ChemDiv3_000582 CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K11 compound treatment 0.388 -0.0174 -0.55 0.386 -0.024 -0.71 -0.8888 -0.9916 1317973 ChemDiv3_000583 CC(=O)NS(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K12 compound treatment 0.394 -0.0114 -0.36 0.391 -0.019 -0.56 -0.6506 -0.9763 1685696 ChemDiv3_000584 COCc1cc(C)nc(N2CCOCC2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K13 compound treatment 0.467 0.0616 1.94 0.455 0.045 1.33 2.3134 0.9834 1680270 ChemDiv3_000585 CCCCN1CCN(CC1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K14 compound treatment 0.409 0.00361 0.11 0.406 -0.00397 -0.12 -0.0028 -0.0172 3020635 ChemDiv3_000586 COC(=O)Oc1cc2oc(=O)sc2cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K15 compound treatment 0.391 -0.0144 -0.45 0.401 -0.00897 -0.27 -0.5078 -0.9678 3117705 ChemDiv3_000587 COc1ccc(cc1)C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K16 compound treatment 0.388 -0.0174 -0.55 0.398 -0.012 -0.35 -0.6373 -0.978 1915086 ChemDiv3_000588 OCCNC(=S)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K17 compound treatment 0.387 -0.0184 -0.58 0.402 -0.00797 -0.24 -0.5758 -0.922 3020636 ChemDiv3_000589 CCc1ccc(cc1)C(=O)Nc2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K18 compound treatment 0.386 -0.0194 -0.61 0.387 -0.023 -0.68 -0.9123 -0.9985 1362496 ChemDiv3_000590 O=C(Nn1cnc2ccccc2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K19 compound treatment 0.389 -0.0164 -0.52 0.387 -0.023 -0.68 -0.8456 -0.9906 3117706 ChemDiv3_000591 NC(=O)C[n+]1cccc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K20 compound treatment 0.406 6.13E-4 0.02 0.405 -0.00497 -0.15 -0.0905 -0.6093 3117707 ChemDiv3_000592 C/C(=N\N)/c1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K21 compound treatment 0.392 -0.0134 -0.42 0.392 -0.018 -0.53 -0.6741 -0.9932 1318329 ChemDiv3_000593 OCC1(CC2CC3C1)CC(CO)(C2)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K22 compound treatment 0.391 -0.0144 -0.45 0.387 -0.023 -0.68 -0.8011 -0.9803 1110839 ChemDiv3_000594 OC(=O)c1ccccc1C(=O)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K23 mock treatment 0.402 -0.00339 -0.11 0.401 -0.00897 -0.27 -0.2632 -0.9194 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 K24 mock treatment 0.404 -0.00139 -0.04 0.41 3.23E-5 0.0 -0.0302 -0.6914 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L01 compound treatment 0.412 0.00661 0.21 0.423 0.013 0.39 0.4201 0.9578 1272387 ChemDiv3_000595 CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L02 compound treatment 0.387 -0.0184 -0.58 0.377 -0.033 -0.98 -1.0996 -0.9687 3020637 ChemDiv3_000596 C(Sc1nnc(o1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L03 compound treatment 0.387 -0.0184 -0.58 0.378 -0.032 -0.95 -1.0786 -0.972 3117708 ChemDiv3_000597 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4cccc(OC)c4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L04 compound treatment 0.393 -0.0124 -0.39 0.391 -0.019 -0.56 -0.6728 -0.984 3020638 ChemDiv3_000598 Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L05 compound treatment 0.416 0.0106 0.33 0.41 3.23E-5 0.0 0.2366 0.7091 3117709 ChemDiv3_000599 CC(=O)NC(=O)c/1cc2ccccc2o\c1=N/c3ccc(cc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L06 compound treatment 0.415 0.00961 0.3 0.394 -0.016 -0.47 -0.1208 -0.2152 3020639 ChemDiv3_000600 S=c1cc[nH]c(=S)n1c2nc(sc2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L07 compound treatment 0.393 -0.0124 -0.39 0.39 -0.02 -0.59 -0.6938 -0.9794 3117710 ChemDiv3_000601 CC(=O)N1CCc2cc(/N=C/c3ccc(Cl)cc3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L08 compound treatment 0.398 -0.00739 -0.23 0.399 -0.011 -0.32 -0.394 -0.9864 3020640 ChemDiv3_000602 Cc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L09 compound treatment 0.43 0.0246 0.77 0.431 0.021 0.62 0.9879 0.9942 3117711 ChemDiv3_000603 Cc1n[nH]c(C)c1Sc2ccccc2/N=C/c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L10 compound treatment 0.398 -0.00739 -0.23 0.407 -0.00297 -0.09 -0.2264 -0.9117 1663127 ChemDiv3_000604 CC(C)OC(=O)C1=C(C)NC(=S)NC1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L11 compound treatment 0.448 0.0426 1.34 0.435 0.025 0.74 1.4719 0.9611 1238798 ChemDiv3_000605 CC[N+]1=C(C)C(C)(C)c2cc(ccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L12 compound treatment 0.457 0.0516 1.62 0.462 0.052 1.54 2.2378 0.9997 3117713 ChemDiv3_000606 Brc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L13 compound treatment 0.478 0.0726 2.28 0.469 0.059 1.75 2.8514 0.9913 1507618 ChemDiv3_000607 COc1ccc2oc(=N)c(cc2c1)c3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L14 compound treatment 0.399 -0.00639 -0.2 0.4 -0.00997 -0.3 -0.3509 -0.9823 3020641 ChemDiv3_000608 CNc1ncnc(S)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L15 compound treatment 0.403 -0.00239 -0.08 0.399 -0.011 -0.32 -0.2829 -0.8481 1703537 ChemDiv3_000609 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L16 compound treatment 0.366 -0.0394 -1.24 0.405 -0.00497 -0.15 -0.9798 -0.7856 3117714 ChemDiv3_000610 Oc1ccc(Cl)cc1/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L17 compound treatment 0.397 -0.00839 -0.26 0.405 -0.00497 -0.15 -0.2906 -0.9621 1529335 ChemDiv3_000611 OC(=O)C=C1C2CC3CC(C2)CC1C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L18 compound treatment 0.406 6.13E-4 0.02 0.414 0.00403 0.12 0.0981 0.8107 3117715 ChemDiv3_000612 Clc1ccccc1/C=C\2/SC(=O)N(C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L19 compound treatment 0.408 0.00261 0.08 0.397 -0.013 -0.38 -0.2136 -0.5436 3117716 ChemDiv3_000613 CCOc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NC)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L20 compound treatment 0.401 -0.00439 -0.14 0.392 -0.018 -0.53 -0.474 -0.8619 3020642 ChemDiv3_000614 COc1cccc2ccc(Cl)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L21 compound treatment 0.416 0.0106 0.33 0.418 0.00803 0.24 0.4043 0.9863 3020643 ChemDiv3_000615 CN/C=C\1/C=C(SC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L22 compound treatment 0.401 -0.00439 -0.14 0.395 -0.015 -0.44 -0.4112 -0.8852 3117717 ChemDiv3_000616 N#CCC(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L23 mock treatment 0.387 -0.0184 -0.58 0.394 -0.016 -0.47 -0.7434 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 L24 mock treatment 0.436 0.0306 0.96 0.416 0.00603 0.18 0.807 0.8243 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M01 compound treatment 0.461 0.0556 1.75 0.471 0.061 1.81 2.5153 0.9999 1490670 ChemDiv3_000617 O=C(Oc1ccccc1)Oc2ccc3oc(=O)sc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M02 compound treatment 0.417 0.0116 0.37 0.424 0.014 0.42 0.5522 0.9979 3117718 ChemDiv3_000618 Cc1ccc(Oc2ccc(C)c(C)c2)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M03 compound treatment 0.416 0.0106 0.33 0.423 0.013 0.39 0.509 0.9974 1380597 ChemDiv3_000619 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M04 compound treatment 0.412 0.00661 0.21 0.404 -0.00597 -0.18 0.022 0.0806 3020644 ChemDiv3_000620 FC(F)(F)C(=O)N(CN1C(=O)CCC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M05 compound treatment 0.403 -0.00239 -0.08 0.401 -0.00897 -0.27 -0.241 -0.8727 1629777 ChemDiv3_000621 Nc1ccc(Br)cc1C(O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M06 compound treatment 0.433 0.0276 0.87 0.415 0.00503 0.15 0.7194 0.8166 3117719 ChemDiv3_000622 CNc1cc(NC)c2ncnc3-c4ccccc4C(=O)c1c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M07 compound treatment 0.393 -0.0124 -0.39 0.39 -0.02 -0.59 -0.6938 -0.9794 3020645 ChemDiv3_000623 CC(C)C1CCC(C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M08 compound treatment 0.398 -0.00739 -0.23 0.414 0.00403 0.12 -0.0798 -0.3053 1472960 ChemDiv3_000624 COc1ccc2CN(C(=O)c2c1OC)c3nnc[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M09 compound treatment 0.415 0.00961 0.3 0.434 0.024 0.71 0.7173 0.9272 3020646 ChemDiv3_000625 CC(=O)n1c2ccccc2c3cc(Br)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M10 compound treatment 0.41 0.00461 0.15 0.395 -0.015 -0.44 -0.2111 -0.4523 3117720 ChemDiv3_000626 COc1ccc(/C=N/c2cccc(Cl)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M11 compound treatment 0.398 -0.00739 -0.23 0.39 -0.02 -0.59 -0.5826 -0.9166 1922766 ChemDiv3_000627 Oc1ccccc1/C=N/c2ccc(cc2)c3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M12 compound treatment 0.495 0.0896 2.82 0.5 0.09 2.67 3.8789 0.9996 3020648 ChemDiv3_000628 CCN1C(=C(C#N)C#N)C=Cc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M13 compound treatment 0.418 0.0126 0.4 0.406 -0.00397 -0.12 0.1973 0.477 1708776 ChemDiv3_000629 C1CC[N+]2(C1)CCN(CC2)c3ncccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M14 compound treatment 0.431 0.0256 0.81 0.431 0.021 0.62 1.0102 0.992 1728722 ChemDiv3_000630 COc1ccc(cc1)N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M15 compound treatment 1.386 0.981 30.83 1.356 0.946 28.03 41.6248 0.9989 3020649 ChemDiv3_000631 COc1cccc(/N=C\c2c[nH]c3ccccc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M16 compound treatment 0.418 0.0126 0.4 0.423 0.013 0.39 0.5535 0.9999 3117721 ChemDiv3_000632 Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M17 compound treatment 0.396 -0.00939 -0.3 0.405 -0.00497 -0.15 -0.3128 -0.9484 1294702 ChemDiv3_000633 C1CCCN(CC1)c2nc(nc(n2)N3CCCCCC3)N4CCCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M18 compound treatment 0.367 -0.0384 -1.21 0.373 -0.037 -1.1 -1.6281 -0.9988 3117722 ChemDiv3_000634 Brc1ccc(NC(=O)Nc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M19 compound treatment 0.404 -0.00139 -0.04 0.409 -9.68E-4 -0.03 -0.0511 -0.9793 1311944 ChemDiv3_000635 c1c(nc2ccccn12)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M20 compound treatment 0.402 -0.00339 -0.11 0.418 0.00803 0.24 0.093 0.3566 1216291 ChemDiv3_000636 OCCNC(=S)NC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M21 compound treatment 0.401 -0.00439 -0.14 0.401 -0.00897 -0.27 -0.2854 -0.9534 1664260 ChemDiv3_000637 OC(=O)c1cc(ccc1O)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M22 compound treatment 0.4 -0.00539 -0.17 0.411 0.00103 0.03 -0.0981 -0.5702 3020650 ChemDiv3_000638 Fc1ccccc1C(=O)Nc2cc(ccc2Br)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M23 mock treatment 0.395 -0.0104 -0.33 0.401 -0.00897 -0.27 -0.4188 -0.9948 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 M24 mock treatment 0.423 0.0176 0.55 0.406 -0.00397 -0.12 0.3085 0.5449 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N01 compound treatment 0.416 0.0106 0.33 0.437 0.027 0.8 0.8024 0.9247 3020651 ChemDiv3_000639 Cn1nccc1C(=O)Nc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N02 compound treatment 0.379 -0.0264 -0.83 0.384 -0.026 -0.77 -1.1308 -0.9993 3117723 ChemDiv3_000640 COC(=O)CSc1nnc(o1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N03 compound treatment 0.424 0.0186 0.59 0.41 3.23E-5 0.0 0.4145 0.7083 3117724 ChemDiv3_000641 COc1cc(Br)cc(/C=N/c2cccc(c2)c3nc4ccccc4o3)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N04 compound treatment 0.393 -0.0124 -0.39 0.394 -0.016 -0.47 -0.61 -0.9953 1628862 ChemDiv3_000642 CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N05 compound treatment 0.407 0.00161 0.05 0.402 -0.00797 -0.24 -0.1311 -0.5428 1290427 ChemDiv3_000643 CC(=O)Oc1ccccc1N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N06 compound treatment 0.403 -0.00239 -0.08 0.392 -0.018 -0.53 -0.4295 -0.7989 1570356 ChemDiv3_000644 CC(C)(C)C(=O)Nc1c(Cl)sc2nccc(=O)n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N07 compound treatment 0.397 -0.00839 -0.26 0.419 0.00903 0.27 0.0028 0.0074 3020698 ChemDiv3_000645 CC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N08 compound treatment 0.517 0.112 3.51 0.516 0.106 3.14 4.7033 0.9985 3020699 ChemDiv3_000646 CN(C)/C=C/c1cc(=S)c2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N09 compound treatment 0.384 -0.0214 -0.67 0.365 -0.045 -1.33 -1.4177 -0.9499 1598396 ChemDiv3_000647 CSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N10 compound treatment 0.48 0.0746 2.35 0.473 0.063 1.87 2.9796 0.9936 3020700 ChemDiv3_000648 Oc1ccc(/C=C/2\SC(=S)N(CCc3ccccc3)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N11 compound treatment 0.407 0.00161 0.05 0.419 0.00903 0.27 0.2251 0.8264 3020701 ChemDiv3_000649 CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)/Oc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N12 compound treatment 0.405 -3.87E-4 -0.01 0.422 0.012 0.36 0.2435 0.6826 3117725 ChemDiv3_000650 Clc1ccc(/C=N/C(=O)CC#N)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N13 compound treatment 0.491 0.0856 2.69 0.472 0.062 1.84 3.2033 0.9827 1340722 ChemDiv3_000651 N=c1oc2ccc3ccccc3c2cc1C(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N14 compound treatment 0.433 0.0276 0.87 0.41 3.23E-5 0.0 0.6146 0.7079 3117726 ChemDiv3_000652 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1OC(=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N15 compound treatment 0.425 0.0196 0.62 0.428 0.018 0.53 0.8139 0.9974 3020702 ChemDiv3_000653 CC1=N/C(=C/c2cccnc2)/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N16 compound treatment 0.347 -0.0584 -1.84 0.367 -0.043 -1.27 -2.1985 -0.984 3117727 ChemDiv3_000654 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)/Sc4cc(NC(=O)C)ccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N17 compound treatment 0.398 -0.00739 -0.23 0.396 -0.014 -0.41 -0.4569 -0.9627 1208186 ChemDiv3_000655 OC(=O)c1cc(nc2ccc(Br)cc12)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N18 compound treatment 0.415 0.00961 0.3 0.419 0.00903 0.27 0.403 0.9982 3020703 ChemDiv3_000656 CCN1C(=O)/C(=C\C(=C\c2ccccc2)\C)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N19 compound treatment 0.428 0.0226 0.71 0.441 0.031 0.92 1.153 0.9919 3020704 ChemDiv3_000657 CN1C(=O)/C(=C\Nc2ccccc2)/C=C1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N20 compound treatment 0.432 0.0266 0.84 0.425 0.015 0.45 0.9067 0.9564 3117728 ChemDiv3_000658 Cc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N21 compound treatment 0.393 -0.0124 -0.39 0.391 -0.019 -0.56 -0.6728 -0.984 1544837 ChemDiv3_000659 Cc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N22 compound treatment 0.389 -0.0164 -0.52 0.403 -0.00697 -0.21 -0.5103 -0.9194 1021435 ChemDiv3_000660 Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N23 mock treatment 0.386 -0.0194 -0.61 0.438 0.028 0.83 0.1563 0.1517 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 N24 mock treatment 0.43 0.0246 0.77 0.433 0.023 0.68 1.0298 0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O01 compound treatment 0.425 0.0196 0.62 0.429 0.019 0.56 0.8348 0.999 1913320 ChemDiv3_000661 O=C(Oc1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O02 compound treatment 0.413 0.00761 0.24 0.422 0.012 0.36 0.4214 0.9812 3020705 ChemDiv3_000662 Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O03 compound treatment 0.382 -0.0234 -0.74 0.393 -0.017 -0.5 -0.8755 -0.9828 3117729 ChemDiv3_000663 CCOc1ccc(N/C=N/c2ccc(OCC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O04 compound treatment 0.414 0.00861 0.27 0.414 0.00403 0.12 0.276 0.9324 1253491 ChemDiv3_000664 N#CCCN(Cn1c2ccccc2c3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O05 compound treatment 0.419 0.0136 0.43 0.418 0.00803 0.24 0.471 0.9616 1678987 ChemDiv3_000665 Cc1ccc2nc(cc(C(=O)NCc3ccccc3)c2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O06 compound treatment 0.417 0.0116 0.37 0.403 -0.00697 -0.21 0.1122 0.2675 1464157 ChemDiv3_000666 Cc1cc(C)c(cc1C(=O)c2ccccc2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O07 compound treatment 0.415 0.00961 0.3 0.413 0.00303 0.09 0.2773 0.8793 1645442 ChemDiv3_000667 CCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O08 compound treatment 0.46 0.0546 1.72 0.453 0.043 1.28 2.1159 0.9893 1026640 ChemDiv3_000668 Nc1ccccc1CC(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O09 compound treatment 0.425 0.0196 0.62 0.416 0.00603 0.18 0.5625 0.876 1267081 ChemDiv3_000669 CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)Nc2ccccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O10 compound treatment 0.415 0.00961 0.3 0.408 -0.00197 -0.06 0.1725 0.5604 3117730 ChemDiv3_000670 CCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O11 compound treatment 0.435 0.0296 0.93 0.434 0.024 0.71 1.162 0.9912 3020706 ChemDiv3_000671 CC(C)(C)c1cc(c2OCN(CC(=O)O)Cc2c1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O12 compound treatment 0.612 0.207 6.5 0.563 0.153 4.53 7.8002 0.9845 3117731 ChemDiv3_000672 CCN(CC)c1ccc2cc(C(=O)N)/c(=N/c3ccc(F)cc3)/oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O13 compound treatment 0.458 0.0526 1.65 0.428 0.018 0.53 1.5476 0.8902 3020707 ChemDiv3_000673 Clc1ccc2nc(Cl)cc(c3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O14 compound treatment 0.436 0.0306 0.96 0.423 0.013 0.39 0.9537 0.9195 3117732 ChemDiv3_000674 Cc1cccc(C)c1OC(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O15 compound treatment 0.463 0.0576 1.81 0.46 0.05 1.48 2.3293 0.995 3020708 ChemDiv3_000675 C(=N/c1cccc2ccccc12)/c3c[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O16 compound treatment 0.42 0.0146 0.46 0.429 0.019 0.56 0.7237 0.9948 1675948 ChemDiv3_000676 OC(=O)C(NC(=O)c1ccc(F)cc1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O17 compound treatment 0.453 0.0476 1.5 0.445 0.035 1.04 1.7926 0.984 1019063 ChemDiv3_000677 CC(C)(C)c1ccc(O)c(N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O18 compound treatment 0.413 0.00761 0.24 0.421 0.011 0.33 0.4004 0.9883 1676074 ChemDiv3_000678 OC(=O)C1CCC(CC1)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O19 compound treatment 0.401 -0.00439 -0.14 0.421 0.011 0.33 0.1336 0.3766 3020709 ChemDiv3_000679 CC(C(=O)c1ccccc1)[n+]2cccc(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O20 compound treatment 0.376 -0.0294 -0.92 0.388 -0.022 -0.65 -1.1137 -0.9853 1276194 ChemDiv3_000680 CC1(CC2CC3C1)CC(C2)(C3)NC(=O)c4ccc(Cl)cc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O21 compound treatment 0.411 0.00561 0.18 0.413 0.00303 0.09 0.1883 0.951 1695393 ChemDiv3_000681 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)(C4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O22 compound treatment 0.415 0.00961 0.3 0.427 0.017 0.5 0.5706 0.9699 1315761 ChemDiv3_000682 CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O23 mock treatment 0.422 0.0166 0.52 0.421 0.011 0.33 0.6005 0.9745 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 O24 mock treatment 0.414 0.00861 0.27 0.427 0.017 0.5 0.5484 0.9574 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P01 compound treatment 0.445 0.0396 1.25 0.443 0.033 0.98 1.5729 0.9929 1316678 ChemDiv3_000683 O=C(c1ccccc1)C2(CN3CN4CN(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P02 compound treatment 0.429 0.0236 0.74 0.412 0.00203 0.06 0.5676 0.762 3117733 ChemDiv3_000684 CC(C)OC(=O)CSc1nnc(o1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P03 compound treatment 0.422 0.0166 0.52 0.423 0.013 0.39 0.6424 0.9889 1919584 ChemDiv3_000685 Oc1ccccc1/C=N/c2ccc3oc(nc3c2)c4cccc(I)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P04 compound treatment 0.415 0.00961 0.3 0.405 -0.00497 -0.15 0.1096 0.3261 3020710 ChemDiv3_000686 OCCNC(=O)c1cc[n+](CC(=O)c2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P05 compound treatment 0.41 0.00461 0.15 0.412 0.00203 0.06 0.1451 0.9242 1512305 ChemDiv3_000687 O=C(Oc1ccccc1N(C(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P06 compound treatment 0.44 0.0346 1.09 0.429 0.019 0.56 1.1684 0.9531 3020711 ChemDiv3_000688 Cc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P07 compound treatment 0.409 0.00361 0.11 0.411 0.00103 0.03 0.102 0.8666 1010956 ChemDiv3_000689 FC(F)(F)C(=O)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P08 compound treatment 0.392 -0.0134 -0.42 0.392 -0.018 -0.53 -0.6741 -0.9932 3117734 ChemDiv3_000690 CC(C)C1CCC(C)CC1OC(=O)Cn2c[n+](C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P09 compound treatment 0.421 0.0156 0.49 0.415 0.00503 0.15 0.4526 0.8821 3020712 ChemDiv3_000691 OC(=O)CCn1c(SCCOc2ccccc2)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P10 compound treatment 0.474 0.0686 2.16 0.477 0.067 1.99 2.93 0.9991 3117735 ChemDiv3_000692 Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P11 compound treatment 0.442 0.0366 1.15 0.456 0.046 1.36 1.7785 0.9964 3020713 ChemDiv3_000693 COc1cc2sc(C)nc2c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P12 compound treatment 0.441 0.0356 1.12 0.449 0.039 1.16 1.6096 0.9999 3117736 ChemDiv3_000694 CC1(CCC2(CC(=O)c3ccccc3)CC1)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P13 compound treatment 0.468 0.0626 1.97 0.465 0.055 1.63 2.5452 0.9956 3020714 ChemDiv3_000695 Nc1c(C#N)c(C(=O)c2ccc(Br)cc2)n3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P14 compound treatment 0.414 0.00861 0.27 0.423 0.013 0.39 0.4646 0.9849 3117737 ChemDiv3_000696 CCNc1nc(F)cc(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P15 compound treatment 0.468 0.0626 1.97 0.456 0.046 1.36 2.3566 0.9839 1476541 ChemDiv3_000697 OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P16 compound treatment 0.424 0.0186 0.59 0.419 0.00903 0.27 0.6031 0.9371 1722951 ChemDiv3_000698 C1CCC2(C1)Cc3ccccc3-c4nnc(c5ccccc5)n42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P17 compound treatment 0.415 0.00961 0.3 0.423 0.013 0.39 0.4868 0.9927 3117738 ChemDiv3_000699 CCC(O)(CC)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P18 compound treatment 0.424 0.0186 0.59 0.434 0.024 0.71 0.9174 0.9953 1912570 ChemDiv3_000700 Cc1ccc(CCS(=O)(=O)c2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P19 compound treatment 0.486 0.0806 2.53 0.479 0.069 2.05 3.2388 0.9943 3020715 ChemDiv3_000701 CN/C=C\1/C=C(N(C)C1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P20 compound treatment 0.436 0.0306 0.96 0.453 0.043 1.28 1.5823 0.9904 3117739 ChemDiv3_000702 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P21 compound treatment 0.42 0.0146 0.46 0.429 0.019 0.56 0.7237 0.9948 3020716 ChemDiv3_000703 COc1ccc(OCCSc2ncnc3[nH]cnc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P22 compound treatment 0.449 0.0436 1.37 0.467 0.057 1.69 2.1647 0.9946 1343334 ChemDiv3_000704 COC(=O)C1=C(C)NC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P23 mock treatment 0.437 0.0316 0.99 0.429 0.019 0.56 1.1017 0.9639 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2002 P24 mock treatment 0.445 0.0396 1.25 0.457 0.047 1.39 1.8662 0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A01 compound treatment 0.467 0.0415 1.31 0.459 0.0415 1.23 1.7929 0.9996 1702421 ChemDiv3_001057 CCc1nccn1C(=O)CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A02 compound treatment 0.464 0.0385 1.21 0.456 0.0385 1.14 1.6634 0.9996 1479194 ChemDiv3_001058 Clc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A03 compound treatment 0.479 0.0535 1.68 0.466 0.0485 1.44 2.2064 0.9969 1673755 ChemDiv3_001059 Cc1ccc(cc1NC(=O)c2ccccc2)c3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A04 compound treatment 0.499 0.0735 2.31 0.498 0.0805 2.39 3.3216 0.9999 3118598 ChemDiv3_001060 CC1=Nc2ccc(cc2C1(C)C)C(F)(F)F.[O-][N+](=O)c1cc([N+](=O)[O-])c([O-])c(c1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A05 compound treatment 0.436 0.0105 0.33 0.442 0.0245 0.73 0.7475 0.9365 1545532 ChemDiv3_001061 Cc1ccccc1NC(=O)CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A06 compound treatment 0.421 -0.00448 -0.14 0.434 0.0165 0.49 0.2464 0.4837 1235446 ChemDiv3_001062 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)Oc3ccccc3)S(=O)(=O)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A07 compound treatment 0.442 0.0165 0.52 0.441 0.0235 0.7 0.8599 0.9895 3118599 ChemDiv3_001063 CC1C(Cc2ccc(C)cc2)C(=O)N(C1=O)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A08 compound treatment 0.415 -0.0105 -0.33 0.428 0.0105 0.31 -0.0128 -0.0281 1351878 ChemDiv3_001064 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A09 compound treatment 0.466 0.0405 1.27 0.485 0.0675 2.0 2.3155 0.9763 1662979 ChemDiv3_001065 CCCc1cc2c(=O)c(c(C)oc2cc1OC(=O)C)c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A10 compound treatment 0.445 0.0195 0.61 0.455 0.0375 1.11 1.22 0.9608 1457143 ChemDiv3_001066 Cc1ccc(cc1)S(=O)(=O)N2C(C3CC2C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A11 compound treatment 0.473 0.0475 1.49 0.477 0.0595 1.76 2.3035 0.9966 3020384 ChemDiv3_001067 O=C/1OC(=N\C1=C/C=C/c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A12 compound treatment 0.43 0.00452 0.14 0.423 0.00552 0.16 0.216 0.9975 3118600 ChemDiv3_001068 Clc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A13 compound treatment 0.434 0.00852 0.27 0.442 0.0245 0.73 0.703 0.908 3020385 ChemDiv3_001069 CC(C)n1c(nc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A14 compound treatment 0.466 0.0405 1.27 0.462 0.0445 1.32 1.8336 0.9998 1226119 ChemDiv3_001070 Brc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A15 compound treatment 0.458 0.0325 1.02 0.457 0.0395 1.17 1.5509 0.9977 3020386 ChemDiv3_001071 N#Cc1c(/N=C/c2ccccc2)sc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A16 compound treatment 0.418 -0.00748 -0.24 0.428 0.0105 0.31 0.0539 0.1382 3118601 ChemDiv3_001072 CCC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A17 compound treatment 0.45 0.0245 0.77 0.443 0.0255 0.76 1.0797 1.0 1259740 ChemDiv3_001073 COc1ccc(cc1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A18 compound treatment 0.664 0.239 7.5 0.678 0.261 7.72 10.7617 0.9999 3020387 ChemDiv3_001074 CC[n+]1c(/C=C/N(C)c2ccccc2)sc3ccc(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A19 compound treatment 0.434 0.00852 0.27 0.434 0.0165 0.49 0.5354 0.9597 1267587 ChemDiv3_001075 CCOc1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A20 compound treatment 0.503 0.0775 2.44 0.485 0.0675 2.0 3.1381 0.9952 3020388 ChemDiv3_001076 CCN1/C(=C/C2=CC(=O)CC(C)(C)C2)/Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A21 compound treatment 0.296 -0.129 -4.07 0.364 -0.0535 -1.58 -3.9996 -0.9154 3118602 ChemDiv3_001077 Cc1n[nH]c(=S)n(/N=C/c2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A22 compound treatment 0.423 -0.00248 -0.08 0.419 0.00152 0.04 -0.0235 -0.2604 1512849 ChemDiv3_001078 COc1ccccc1OC(C)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A23 mock treatment 0.417 -0.00848 -0.27 0.416 -0.00148 -0.04 -0.2197 -0.8127 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 A24 mock treatment 0.418 -0.00748 -0.24 0.416 -0.00148 -0.04 -0.1975 -0.825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B01 compound treatment 0.468 0.0425 1.34 0.46 0.0425 1.26 1.8361 0.9996 3118603 ChemDiv3_001079 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCCO)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B02 compound treatment 0.445 0.0195 0.61 0.438 0.0205 0.61 0.8638 1.0 1487953 ChemDiv3_001080 COC(=O)c1c(NC(=O)C(C)C)sc2CCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B03 compound treatment 0.446 0.0205 0.65 0.449 0.0315 0.93 1.1165 0.9837 1608654 ChemDiv3_001081 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B04 compound treatment 0.426 5.16E-4 0.02 0.412 -0.00548 -0.16 -0.1034 -0.6333 1203988 ChemDiv3_001082 Cc1ccc(C)n1c2cccc(N)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B05 compound treatment 0.411 -0.0145 -0.46 0.418 5.16E-4 0.02 -0.3112 -0.683 1593401 ChemDiv3_001083 CCCCn1c(S)nc2n(C)c(=O)[nH]c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B06 compound treatment 0.413 -0.0125 -0.39 0.413 -0.00448 -0.13 -0.3715 -0.8965 3020389 ChemDiv3_001084 OC(=O)c1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B07 compound treatment 0.475 0.0495 1.56 0.46 0.0425 1.26 1.9918 0.9945 1483637 ChemDiv3_001085 COc1cc(cc(OC)c1OC)C(=O)N=C2C(=CC(=O)C=C2C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B08 compound treatment 0.428 0.00252 0.08 0.439 0.0215 0.64 0.5068 0.7888 1211323 ChemDiv3_001086 COc1ccc(CNc2ccc(F)cc2C)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B09 compound treatment 0.493 0.0675 2.12 0.477 0.0595 1.76 2.7482 0.9958 1504008 ChemDiv3_001087 OC(=O)c1cccc(Nc2nc(c3ccccc3)c4ccccc4n2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B10 compound treatment 0.428 0.00252 0.08 0.422 0.00452 0.13 0.1506 0.9685 1495584 ChemDiv3_001088 CC1(C)Cc2c(C#N)c(NC(=O)C(c3ccccc3)c4ccccc4)sc2CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B11 compound treatment 0.468 0.0425 1.34 0.463 0.0455 1.35 1.899 1.0 1679056 ChemDiv3_001089 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCCc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B12 compound treatment 0.476 0.0505 1.59 0.486 0.0685 2.03 2.5588 0.9926 3118604 ChemDiv3_001090 CC(C)(C)/N=c\1/cccccc1NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B13 compound treatment 0.453 0.0275 0.87 0.459 0.0415 1.23 1.4817 0.9852 3020431 ChemDiv3_001091 CC1=C/C(=C/c2ccco2)/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B14 compound treatment 0.444 0.0185 0.58 0.436 0.0185 0.55 0.7996 0.9996 1567047 ChemDiv3_001092 COc1cc(cc(OC)c1OC)C2NCCS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B15 compound treatment 0.422 -0.00348 -0.11 0.433 0.0155 0.46 0.2476 0.524 3118605 ChemDiv3_001093 Cn1c(=O)n(C)c2ncn(C=C)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B16 compound treatment 0.474 0.0485 1.53 0.476 0.0585 1.73 2.3048 0.998 1521623 ChemDiv3_001094 Cc1ccccc1OCC(O)Cn2c3ccccc3c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B17 compound treatment 0.428 0.00252 0.08 0.435 0.0175 0.52 0.423 0.8056 3020432 ChemDiv3_001095 Oc1ccccc1c2cc(cc(n2)c3ccccc3)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B18 compound treatment 0.447 0.0215 0.68 0.46 0.0425 1.26 1.3692 0.9575 1643074 ChemDiv3_001096 CN(C)c1ccc(cc1)C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c5ccc(C)c(Cl)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B19 compound treatment 0.461 0.0355 1.12 0.454 0.0365 1.08 1.5548 0.9999 1726140 ChemDiv3_001097 CC1(C)Cc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C(C)(C)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B20 compound treatment 0.398 -0.0275 -0.86 0.376 -0.0415 -1.23 -1.4803 -0.9851 1237367 ChemDiv3_001098 O=C(C1c2ccccc2Oc3ccccc13)N4CCc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B21 compound treatment 0.484 0.0585 1.84 0.374 -0.0435 -1.29 0.3899 0.1736 3020434 ChemDiv3_001099 CC(C)(C)OC(=O)NC(=N)n1cccn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B22 compound treatment 0.408 -0.0175 -0.55 0.423 0.00552 0.16 -0.2732 -0.4763 1449384 ChemDiv3_001100 COc1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B23 mock treatment 0.404 -0.0215 -0.68 0.357 -0.0605 -1.79 -1.745 -0.9111 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 B24 mock treatment 0.441 0.0155 0.49 0.44 0.0225 0.67 0.8168 0.9882 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C01 compound treatment 0.435 0.00952 0.3 0.452 0.0345 1.02 0.9348 0.8772 1056652 ChemDiv3_001101 CC(C)(C)NC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C02 compound treatment 0.417 -0.00848 -0.27 0.429 0.0115 0.34 0.0527 0.1216 1434405 ChemDiv3_001102 O=C(COc1ccc2ccccc2c1)Oc3ccc(cc3)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C03 compound treatment 0.461 0.0355 1.12 0.456 0.0385 1.14 1.5967 0.9999 1247192 ChemDiv3_001103 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C04 compound treatment 0.439 0.0135 0.42 0.43 0.0125 0.37 0.5628 0.9977 3020435 ChemDiv3_001104 COc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2CCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C05 compound treatment 0.42 -0.00548 -0.17 0.411 -0.00648 -0.19 -0.2578 -0.9985 1348473 ChemDiv3_001105 O=C(Nc1cccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C06 compound treatment 0.427 0.00152 0.05 0.426 0.00852 0.25 0.2121 0.8261 1500590 ChemDiv3_001106 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C07 compound treatment 0.421 -0.00448 -0.14 0.401 -0.0165 -0.49 -0.4451 -0.8755 1484356 ChemDiv3_001107 CCN(CC)C(=S)SCc1cn2cccc(C)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C08 compound treatment 0.424 -0.00148 -0.05 0.422 0.00452 0.13 0.0616 0.4349 3020436 ChemDiv3_001108 O=C(Nc1ccc(C#N)cc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C09 compound treatment 0.421 -0.00448 -0.14 0.419 0.00152 0.04 -0.0679 -0.459 1425597 ChemDiv3_001109 CCOC(=O)c1ccc(o1)c2coc3cc(OC(=O)C)c(CC)cc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C10 compound treatment 0.43 0.00452 0.14 0.421 0.00352 0.1 0.1741 0.9884 3118606 ChemDiv3_001110 O=C(Nc1ccccc1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C11 compound treatment 0.456 0.0305 0.96 0.431 0.0135 0.4 0.9617 0.9249 3020437 ChemDiv3_001111 COc1ccccc1/C=C/C/2=N/C(=C\c3ccc4OCOc4c3)/C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C12 compound treatment 0.417 -0.00848 -0.27 0.411 -0.00648 -0.19 -0.3245 -0.987 3118607 ChemDiv3_001112 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccccc3)/C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C13 compound treatment 0.45 0.0245 0.77 0.441 0.0235 0.7 1.0378 0.9987 1917708 ChemDiv3_001113 Sc1nc2ccccc2n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C14 compound treatment 0.437 0.0115 0.36 0.434 0.0165 0.49 0.6021 0.989 1591681 ChemDiv3_001114 Cc1cc(C)c2C3C=CCC3C(N4CC5CC=CC5c1c42)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C15 compound treatment 0.532 0.107 3.35 0.485 0.0675 2.0 3.7829 0.9697 3118901 ChemDiv3_001115 Cc1sc(/N=C/c2cn(Cc3ccccc3)c4ccccc24)c(C#N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C16 compound treatment 0.372 -0.0535 -1.68 0.368 -0.0495 -1.47 -2.226 -0.9977 3118746 ChemDiv3_001116 CSc1ccc(/C=N/N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C17 compound treatment 0.42 -0.00548 -0.17 0.414 -0.00348 -0.1 -0.1949 -0.9699 1358774 ChemDiv3_001117 Clc1ccc(cc1)C(=O)COC(=O)C2CC=CCC2C(=O)OCC(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C18 compound treatment 0.553 0.128 4.01 0.55 0.133 3.93 5.6118 0.9999 3118747 ChemDiv3_001118 CC[n+]1ccccc1/C=C/N(C(=O)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C19 compound treatment 0.441 0.0155 0.49 0.427 0.00952 0.28 0.5444 0.966 1915904 ChemDiv3_001119 O=C1NC(=O)/C(=C\c2ccco2)/C(=O)N1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C20 compound treatment 0.415 -0.0105 -0.33 0.447 0.0295 0.87 0.3853 0.4123 3118748 ChemDiv3_001120 Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)no1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C21 compound treatment 0.306 -0.119 -3.76 0.349 -0.0685 -2.03 -4.0915 -0.9582 3020438 ChemDiv3_001121 Cc1n[nH]c(=S)n(/N=C/C=C/c2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C22 compound treatment 0.413 -0.0125 -0.39 0.392 -0.0255 -0.76 -0.8115 -0.9535 1314862 ChemDiv3_001122 CC(Oc1ccc2ccccc2c1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C23 mock treatment 0.405 -0.0205 -0.64 0.462 0.0445 1.32 0.4773 0.3251 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 C24 mock treatment 0.421 -0.00448 -0.14 0.42 0.00252 0.07 -0.047 -0.2945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D01 compound treatment 0.451 0.0255 0.8 0.459 0.0415 1.23 1.4372 0.9786 3020439 ChemDiv3_001123 Clc1ccc(cc1)c2ncc3ccccn23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D02 compound treatment 0.418 -0.00748 -0.24 0.432 0.0145 0.43 0.1378 0.281 1146210 ChemDiv3_001124 CN(C)CCNc1cnn(c2ccccc2)c(=O)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D03 compound treatment 0.413 -0.0125 -0.39 0.425 0.00752 0.22 -0.1201 -0.2661 1432100 ChemDiv3_001125 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D04 compound treatment 0.406 -0.0195 -0.61 0.414 -0.00348 -0.1 -0.5062 -0.8148 1339626 ChemDiv3_001126 OC(=O)CCC(=O)Nc1sc2CCCCc2c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D05 compound treatment 0.4 -0.0255 -0.8 0.408 -0.00948 -0.28 -0.7653 -0.9013 1228834 ChemDiv3_001127 CCCCc1c(O)nc(SCCN(C)C)n(c2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D06 compound treatment 0.404 -0.0215 -0.68 0.405 -0.0125 -0.37 -0.7392 -0.9598 3020440 ChemDiv3_001128 OC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D07 compound treatment 0.422 -0.00348 -0.11 0.424 0.00652 0.19 0.0591 0.2661 1175621 ChemDiv3_001129 Cc1c(Cl)c(O)c(Cl)c(C)c1N(S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D08 compound treatment 0.435 0.00952 0.3 0.438 0.0205 0.61 0.6414 0.9467 1419799 ChemDiv3_001130 COc1ccc(CNCc2cccc(OC)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D09 compound treatment 0.423 -0.00248 -0.08 0.414 -0.00348 -0.1 -0.1282 -0.9905 1117976 ChemDiv3_001131 CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D10 compound treatment 0.403 -0.0225 -0.71 0.414 -0.00348 -0.1 -0.5729 -0.8019 1501667 ChemDiv3_001132 COC(=O)c1ccc(Oc2nc(OC)nc(n2)N(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D11 compound treatment 0.417 -0.00848 -0.27 0.408 -0.00948 -0.28 -0.3873 -0.9997 3118749 ChemDiv3_001133 COc1ccc(cc1)C(=O)N2N3ON=C(N3c4ccccc24)c5c(C)cc(C)cc5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D12 compound treatment 0.423 -0.00248 -0.08 0.416 -0.00148 -0.04 -0.0863 -0.9631 1634877 ChemDiv3_001134 Cc1nc(=O)c(c(C)n1c2ccc(cc2)C(=O)O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D13 compound treatment 0.432 0.00652 0.2 0.417 -4.84E-4 -0.01 0.1347 0.656 3118750 ChemDiv3_001135 COc1ccc(OC)c(c1)c2cc(on2)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D14 compound treatment 0.41 -0.0155 -0.49 0.413 -0.00448 -0.13 -0.4382 -0.8683 1149659 ChemDiv3_001136 Cc1cc(nn1C(CC(=O)O)C(=O)O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D15 compound treatment 0.39 -0.0355 -1.12 0.404 -0.0135 -0.4 -1.0715 -0.9041 3020658 ChemDiv3_001137 Cn1c(=O)n(Cc2ccccc2)c(=O)c3n(Cc4ccccc4)c(Cl)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D16 compound treatment 0.424 -0.00148 -0.05 0.417 -4.84E-4 -0.01 -0.0431 -0.8836 1680766 ChemDiv3_001138 NS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N3CCOCC3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D17 compound treatment 0.396 -0.0295 -0.93 0.398 -0.0195 -0.58 -1.0638 -0.974 1707287 ChemDiv3_001139 COc1ccc(cc1)c2nc(=O)c3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D18 compound treatment 0.416 -0.00948 -0.3 0.416 -0.00148 -0.04 -0.242 -0.8027 3118751 ChemDiv3_001140 Cc1nc2ccccc2c(=O)n1NC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D19 compound treatment 0.44 0.0145 0.46 0.436 0.0185 0.55 0.7107 0.9958 1655686 ChemDiv3_001141 C(Oc1ccccc1)c2nc3c4c5CCCCc5sc4ncn3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D20 compound treatment 0.397 -0.0285 -0.9 0.381 -0.0365 -1.08 -1.3977 -0.9956 1270051 ChemDiv3_001142 CCN(C(=O)C1c2ccccc2Oc3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D21 compound treatment 0.431 0.00552 0.17 0.423 0.00552 0.16 0.2382 0.9996 3020662 ChemDiv3_001143 CC(C)(C)N1Sc2ccccc2NC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D22 compound treatment 0.383 -0.0425 -1.34 0.391 -0.0265 -0.78 -1.4995 -0.9679 1371498 ChemDiv3_001144 Clc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCCC3)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D23 mock treatment 0.4 -0.0255 -0.8 0.397 -0.0205 -0.61 -0.9958 -0.9906 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 D24 mock treatment 0.434 0.00852 0.27 0.416 -0.00148 -0.04 0.1583 0.5832 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E01 compound treatment 0.425 -4.84E-4 -0.02 0.439 0.0215 0.64 0.4401 0.69 3020664 ChemDiv3_001145 NN(CCC#N)C1=NS(=O)(=O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E02 compound treatment 0.413 -0.0125 -0.39 0.433 0.0155 0.46 0.0475 0.0786 1565298 ChemDiv3_001146 Cc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E03 compound treatment 0.444 0.0185 0.58 0.446 0.0285 0.84 1.0092 0.9835 1023964 ChemDiv3_001147 O=c1cc(ss1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E04 compound treatment 0.406 -0.0195 -0.61 0.403 -0.0145 -0.43 -0.7367 -0.9848 1128679 ChemDiv3_001148 OC(=O)C1CCCN(C1)S(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E05 compound treatment 0.42 -0.00548 -0.17 0.407 -0.0105 -0.31 -0.3416 -0.9614 3020666 ChemDiv3_001149 NC(=O)c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E06 compound treatment 0.445 0.0195 0.61 0.436 0.0185 0.55 0.8219 0.9984 1433984 ChemDiv3_001150 COC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)CC(C2)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E07 compound treatment 0.46 0.0345 1.09 0.452 0.0345 1.02 1.4906 0.9996 1622867 ChemDiv3_001151 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E08 compound treatment 0.46 0.0345 1.09 0.453 0.0355 1.05 1.5116 0.9999 3118752 ChemDiv3_001152 CC(C)c1cc(C(C)C)c(N)c(c1)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E09 compound treatment 0.433 0.00752 0.24 0.421 0.00352 0.1 0.2408 0.9323 3020668 ChemDiv3_001153 CC(C)OC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E10 compound treatment 0.423 -0.00248 -0.08 0.414 -0.00348 -0.1 -0.1282 -0.9905 1484844 ChemDiv3_001154 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E11 compound treatment 0.413 -0.0125 -0.39 0.407 -0.0105 -0.31 -0.4972 -0.9933 1314682 ChemDiv3_001155 O=C(Nc1nccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E12 compound treatment 0.463 0.0375 1.18 0.452 0.0345 1.02 1.5573 0.9975 3020722 ChemDiv3_001156 COc1cc(/C=C\2/S/C(=N\c3cc(C)cc(C)c3)/NC2=O)cc(Br)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E13 compound treatment 0.463 0.0375 1.18 0.433 0.0155 0.46 1.1592 0.9156 1326481 ChemDiv3_001157 Sc1nnc(CCn2c3ccccc3c4ccccc24)n1CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E14 compound treatment 0.398 -0.0275 -0.86 0.402 -0.0155 -0.46 -0.9355 -0.9561 3020724 ChemDiv3_001158 Cc1ccc(cc1)c2nnc(SCC=C)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E15 compound treatment 0.433 0.00752 0.24 0.427 0.00952 0.28 0.3665 0.9961 1337418 ChemDiv3_001159 O=S(=O)(N1CCCCC1)c2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E16 compound treatment 0.383 -0.0425 -1.34 0.385 -0.0325 -0.96 -1.6252 -0.9871 3020725 ChemDiv3_001160 CN(/N=C/c1cccc(Br)c1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E17 compound treatment 0.429 0.00352 0.11 0.445 0.0275 0.82 0.6547 0.7957 1502789 ChemDiv3_001161 Cc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E18 compound treatment 0.45 0.0245 0.77 0.41 -0.00748 -0.22 0.3883 0.4841 1562439 ChemDiv3_001162 OCCc1c(c2ccccc2)n(Cc3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E19 compound treatment 0.449 0.0235 0.74 0.431 0.0135 0.4 0.8061 0.9585 1347662 ChemDiv3_001163 CC(NC(=O)COc1ccccc1C(C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E20 compound treatment 0.445 0.0195 0.61 0.435 0.0175 0.52 0.8009 0.9965 3118753 ChemDiv3_001164 OC(=O)/C=C/C(=O)Nc1sc2CCCc2c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E21 compound treatment 0.437 0.0115 0.36 0.439 0.0215 0.64 0.7069 0.9641 1411190 ChemDiv3_001165 COC(=O)C1=C(C)NC(=C(C1c2ccc(cc2)C(C)C)C(=O)OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E22 compound treatment 0.429 0.00352 0.11 0.417 -4.84E-4 -0.01 0.068 0.6103 3118754 ChemDiv3_001166 COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E23 mock treatment 0.406 -0.0195 -0.61 0.413 -0.00448 -0.13 -0.5272 -0.8409 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 E24 mock treatment 0.414 -0.0115 -0.36 0.416 -0.00148 -0.04 -0.2864 -0.7874 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F01 compound treatment 0.455 0.0295 0.93 0.469 0.0515 1.53 1.7357 0.9715 1523805 ChemDiv3_001167 Clc1ccc(cc1Cl)c2csc(NC(=O)C3CC3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F02 compound treatment 0.435 0.00952 0.3 0.43 0.0125 0.37 0.4738 0.9943 1457223 ChemDiv3_001168 COc1ccccc1NC(=O)CSc2nc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F03 compound treatment 0.422 -0.00348 -0.11 0.425 0.00752 0.22 0.08 0.3224 1694096 ChemDiv3_001169 Cc1nc2cc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)ccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F04 compound treatment 0.453 0.0275 0.87 0.455 0.0375 1.11 1.3979 0.9923 1719103 ChemDiv3_001170 CCC1(CC)Cc2ccccc2-c3nc4SCCn4c(=O)c31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F05 compound treatment 0.426 5.16E-4 0.02 0.408 -0.00948 -0.28 -0.1872 -0.6652 1784397 ChemDiv3_001171 CCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F06 compound treatment 0.416 -0.00948 -0.3 0.423 0.00552 0.16 -0.0953 -0.2802 3118755 ChemDiv3_001172 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F07 compound treatment 0.532 0.107 3.35 0.497 0.0795 2.36 4.0343 0.9852 1922655 ChemDiv3_001173 Cc1ccc(cc1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F08 compound treatment 0.434 0.00852 0.27 0.434 0.0165 0.49 0.5354 0.9597 1328915 ChemDiv3_001174 COc1cccc(c1)N2C(=O)CC(SCC(=O)Nc3ccc4ccccc4c3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F09 compound treatment 0.409 -0.0165 -0.52 0.409 -0.00848 -0.25 -0.5443 -0.9448 1522826 ChemDiv3_001175 Cc1ccc2n(C)cc(C(=O)O)c(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F10 compound treatment 0.415 -0.0105 -0.33 0.412 -0.00548 -0.16 -0.348 -0.9469 3118902 ChemDiv3_001176 O=C(COC(=O)c1cccs1)c2ccc3OCCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F11 compound treatment 0.41 -0.0155 -0.49 0.412 -0.00548 -0.16 -0.4592 -0.8946 3118903 ChemDiv3_001177 Cc1cc(C)c(C2=NON3N(C(=O)c4cccs4)c5ccccc5N32)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F12 compound treatment 0.425 -4.84E-4 -0.02 0.411 -0.00648 -0.19 -0.1466 -0.7607 1311807 ChemDiv3_001178 Cc1noc(n1)c2ccccc2OC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F13 compound treatment 0.447 0.0215 0.68 0.433 0.0155 0.46 0.8035 0.9823 3020393 ChemDiv3_001179 CCOC(=O)c1cc(no1)c2cc(OC)ccc2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F14 compound treatment 0.416 -0.00948 -0.3 0.429 0.0115 0.34 0.0304 0.0671 1637396 ChemDiv3_001180 COc1nc(C)nc(NCC=C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F15 compound treatment 0.576 0.151 4.73 0.463 0.0455 1.35 4.3002 0.8738 3118904 ChemDiv3_001181 Cc1ccc(cc1)C2C(=C(Oc3ccccc23)c4cccs4)C=C5C(=O)NC(=O)NC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F16 compound treatment 0.421 -0.00448 -0.14 0.429 0.0115 0.34 0.1416 0.3835 1442359 ChemDiv3_001182 COc1ccc(OCC(O)Cn2nc(C)cc2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F17 compound treatment 0.559 0.134 4.2 0.557 0.14 4.13 5.8918 1.0 3118905 ChemDiv3_001183 CN(C)c1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F18 compound treatment 0.418 -0.00748 -0.24 0.424 0.00652 0.19 -0.0299 -0.0981 1362058 ChemDiv3_001184 COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F19 compound treatment 0.405 -0.0205 -0.64 0.411 -0.00648 -0.19 -0.5913 -0.8797 3118906 ChemDiv3_001185 C1CCc2c(C1)sc3ncn4nc(nc4c23)c5cccnc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F20 compound treatment 0.435 0.00952 0.3 0.432 0.0145 0.43 0.5157 0.9843 1616159 ChemDiv3_001186 Cc1ccc(CNC(=O)C2c3ccccc3Oc4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F21 compound treatment 0.403 -0.0225 -0.71 0.392 -0.0255 -0.76 -1.0339 -0.9995 1782607 ChemDiv3_001187 CCC(CC(C)(C)O)c1n[nH]c(=S)n1CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F22 compound treatment 0.423 -0.00248 -0.08 0.394 -0.0235 -0.7 -0.5473 -0.7816 3118907 ChemDiv3_001188 O=C(CSC1=NC(=O)C(C(=O)N1)c2ccccc2)NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F23 mock treatment 0.43 0.00452 0.14 0.396 -0.0215 -0.64 -0.3497 -0.5362 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 F24 mock treatment 0.437 0.0115 0.36 0.432 0.0145 0.43 0.5602 0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G01 compound treatment 0.445 0.0195 0.61 0.442 0.0245 0.73 0.9476 0.9965 3020400 ChemDiv3_001189 C=CCn1c(n[nH]c1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G02 compound treatment 0.489 0.0635 2.0 0.51 0.0925 2.74 3.3507 0.9879 1285595 ChemDiv3_001190 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc-3c(CCc4ccccc34)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G03 compound treatment 0.424 -0.00148 -0.05 0.435 0.0175 0.52 0.334 0.641 1230309 ChemDiv3_001191 C[N+]1(CCC2CC1)C(=C)C2(O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G04 compound treatment 0.449 0.0235 0.74 0.414 -0.00348 -0.1 0.4499 0.6025 3118908 ChemDiv3_001192 COc1ccc2c(C)cc(Sc3nnnn3c4ccccc4)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G05 compound treatment 0.452 0.0265 0.83 0.445 0.0275 0.82 1.1661 0.9999 3020403 ChemDiv3_001193 Cc1ccc(/N=C\2/C(=O)Nc3ccccc23)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G06 compound treatment 0.466 0.0405 1.27 0.453 0.0355 1.05 1.645 0.9955 1391577 ChemDiv3_001194 COC(=O)C1=C(C)NC2=C(C1c3ccccc3OC(C)C)C(=O)CC(C2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G07 compound treatment 0.44 0.0145 0.46 0.44 0.0225 0.67 0.7945 0.9829 1779181 ChemDiv3_001195 Cc1cc(=O)[nH]c(SC(C(=O)O)c2ccccc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G08 compound treatment 0.426 5.16E-4 0.02 0.422 0.00452 0.13 0.1061 0.7871 1705952 ChemDiv3_001196 O=C(C(Sc1nc2ccccc2[nH]1)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G09 compound treatment 0.403 -0.0225 -0.71 0.43 0.0125 0.37 -0.2377 -0.2977 3020442 ChemDiv3_001197 COc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G10 compound treatment 0.428 0.00252 0.08 0.425 0.00752 0.22 0.2134 0.903 1503189 ChemDiv3_001198 CNC(=O)c1ccc2nc(N)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G11 compound treatment 0.425 -4.84E-4 -0.02 0.433 0.0155 0.46 0.3143 0.6833 1316072 ChemDiv3_001199 O=S(=O)(N1CCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G12 compound treatment 0.436 0.0105 0.33 0.428 0.0105 0.31 0.4542 0.9996 3118909 ChemDiv3_001200 Cc1cc(/C=C/2\SC(=O)NC2=O)c(C)n1c3cc(C)cc(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G13 compound treatment 0.451 0.0255 0.8 0.437 0.0195 0.58 0.9762 0.9871 3020445 ChemDiv3_001201 CC(=C)Cn1c(SCC(=O)O)nnc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G14 compound treatment 0.425 -4.84E-4 -0.02 0.407 -0.0105 -0.31 -0.2304 -0.7409 3118910 ChemDiv3_001202 Cc1ccc(cc1)c2nnc(SC(=O)OCc3ccccc3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G15 compound treatment 0.424 -0.00148 -0.05 0.431 0.0135 0.4 0.2502 0.6205 3118911 ChemDiv3_001203 COc1ccc(cc1)n2cnc3cc(/N=C/c4nc5ccccc5n4C)ccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G16 compound treatment 0.389 -0.0365 -1.15 0.363 -0.0545 -1.61 -1.9528 -0.986 3020449 ChemDiv3_001204 CN(/N=C/c1ccc(C)cc1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G17 compound treatment 0.471 0.0455 1.43 0.465 0.0475 1.41 2.0076 1.0 3118912 ChemDiv3_001205 CCCCC(=O)/C=C/n1c(=S)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G18 compound treatment 0.455 0.0295 0.93 0.445 0.0275 0.82 1.2328 0.9979 3020450 ChemDiv3_001206 CNCCc1c(c2ccccc2)n(c3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G19 compound treatment 0.464 0.0385 1.21 0.422 0.00452 0.13 0.951 0.7805 1598116 ChemDiv3_001207 CC(C)(C)c1ccccc1OCC(=O)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G20 compound treatment 0.407 -0.0185 -0.58 0.403 -0.0145 -0.43 -0.7144 -0.9889 1411248 ChemDiv3_001208 CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C31C(=O)Nc4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G21 compound treatment 0.416 -0.00948 -0.3 0.411 -0.00648 -0.19 -0.3467 -0.9774 1864191 ChemDiv3_001209 CCC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G22 compound treatment 0.509 0.0835 2.63 0.456 0.0385 1.14 2.6639 0.9304 3020455 ChemDiv3_001210 O=C/1N(Cc2ccccc2)C(=S)S\C1=C/c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G23 mock treatment 0.415 -0.0105 -0.33 0.398 -0.0195 -0.58 -0.6413 -0.9647 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 G24 mock treatment 0.42 -0.00548 -0.17 0.416 -0.00148 -0.04 -0.153 -0.8599 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H01 compound treatment 0.565 0.14 4.39 0.579 0.162 4.79 6.4862 0.9991 3118913 ChemDiv3_001211 O=C(/C(=C/1\Nc2ccccc2S1)/C#N)c3ccc(cc3)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H02 compound treatment 0.419 -0.00648 -0.2 0.426 0.00852 0.25 0.0343 0.1056 3020457 ChemDiv3_001212 FC(F)(F)c1cccc(c1)N2C(=O)CC(C3CCCO3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H03 compound treatment 0.403 -0.0225 -0.71 0.389 -0.0285 -0.84 -1.0967 -0.9961 1133915 ChemDiv3_001213 CC1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H04 compound treatment 0.414 -0.0115 -0.36 0.425 0.00752 0.22 -0.0978 -0.2306 1679724 ChemDiv3_001214 OC(=O)CCSc1nc2ccccc2n1C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H05 compound treatment 0.434 0.00852 0.27 0.433 0.0155 0.46 0.5145 0.9669 3118914 ChemDiv3_001215 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H06 compound treatment 0.417 -0.00848 -0.27 0.415 -0.00248 -0.07 -0.2407 -0.8697 3020524 ChemDiv3_001216 Clc1ccc(SCCc2nc3ccccc3o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H07 compound treatment 0.314 -0.111 -3.51 0.351 -0.0665 -1.97 -3.8717 -0.9629 1413360 ChemDiv3_001217 Clc1ccc(SCC2=NN(C(=O)C2)c3nc4ccccc4s3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H08 compound treatment 0.472 0.0465 1.46 0.479 0.0615 1.82 2.3232 0.994 1533668 ChemDiv3_001218 Cc1ccc(SC2=NS(=O)(=O)c3ccccc23)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H09 compound treatment 0.417 -0.00848 -0.27 0.396 -0.0215 -0.64 -0.6388 -0.9254 3118915 ChemDiv3_001219 COc1ccc(OCCSc2nc3ccccc3s2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H10 compound treatment 0.41 -0.0155 -0.49 0.413 -0.00448 -0.13 -0.4382 -0.8683 1368307 ChemDiv3_001220 COc1ccc(cc1)C(=O)CSc2nc3cc(OC)ccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H11 compound treatment 0.433 0.00752 0.24 0.417 -4.84E-4 -0.01 0.157 0.663 1480108 ChemDiv3_001221 COc1cc(cc(OC)c1OC)C(=O)NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H12 compound treatment 0.42 -0.00548 -0.17 0.417 -4.84E-4 -0.01 -0.1321 -0.7633 1571229 ChemDiv3_001222 COc1ccc(cc1)C(=O)CC(CC(=O)c2ccc(OC)cc2)C#Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H13 compound treatment 0.433 0.00752 0.24 0.425 0.00752 0.22 0.3246 0.9996 1449253 ChemDiv3_001223 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H14 compound treatment 0.434 0.00852 0.27 0.435 0.0175 0.52 0.5564 0.9526 3020527 ChemDiv3_001224 COc1nc(nc(C)c1Br)N(CC=C)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H15 compound treatment 0.423 -0.00248 -0.08 0.418 5.16E-4 0.02 -0.0444 -0.558 1303506 ChemDiv3_001225 COc1ccc(CCn2c(C)nc(=O)c(c2C)c3ccccc3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H16 compound treatment 0.42 -0.00548 -0.17 0.411 -0.00648 -0.19 -0.2578 -0.9985 1333831 ChemDiv3_001226 NS(=O)(=O)c1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H17 compound treatment 0.439 0.0135 0.42 0.42 0.00252 0.07 0.3532 0.8187 3020529 ChemDiv3_001227 CCc1cc2c(=O)oc(nc2s1)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H18 compound treatment 0.417 -0.00848 -0.27 0.406 -0.0115 -0.34 -0.4292 -0.9927 1332696 ChemDiv3_001228 CCC(C)NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H19 compound treatment 0.418 -0.00748 -0.24 0.401 -0.0165 -0.49 -0.5118 -0.9439 1174891 ChemDiv3_001229 OC(=O)C1CC(=C(CC1C(=O)c2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H20 compound treatment 0.425 -4.84E-4 -0.02 0.407 -0.0105 -0.31 -0.2304 -0.7409 1219244 ChemDiv3_001230 CCCNC(=O)N(C)c1nncnc1C(=O)NC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H21 compound treatment 0.415 -0.0105 -0.33 0.406 -0.0115 -0.34 -0.4737 -0.9999 1493398 ChemDiv3_001231 O=C1N(CC2OCc3ccccc3CO2)C(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H22 compound treatment 0.469 0.0435 1.37 0.424 0.00652 0.19 1.1041 0.799 1293274 ChemDiv3_001232 Nc1nc(CSc2nnc3c4ccccc4[nH]c3n2)cs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H23 mock treatment 0.415 -0.0105 -0.33 0.397 -0.0205 -0.61 -0.6623 -0.9589 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 H24 mock treatment 0.437 0.0115 0.36 0.441 0.0235 0.7 0.7488 0.9535 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I01 compound treatment 0.441 0.0155 0.49 0.437 0.0195 0.58 0.7539 0.9964 3119049 ChemDiv3_001233 CCn1c(n[nH]c1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I02 compound treatment 0.431 0.00552 0.17 0.442 0.0245 0.73 0.6363 0.852 3020534 ChemDiv3_001234 Cc1nc(SCC(=O)O)c2c3CCCCc3sc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I03 compound treatment 0.427 0.00152 0.05 0.419 0.00152 0.04 0.0655 0.9996 1118354 ChemDiv3_001235 Cc1ccc(cc1)C(=O)Nc2ccc3OCCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I04 compound treatment 0.415 -0.0105 -0.33 0.409 -0.00848 -0.25 -0.4109 -0.9911 1277083 ChemDiv3_001236 CCOC(=O)c1[nH]cnc1C(=O)Nc2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I05 compound treatment 0.423 -0.00248 -0.08 0.425 0.00752 0.22 0.1023 0.4333 3119050 ChemDiv3_001237 COc1ccc(/C=N/n2cnc3n(C)c(=O)n(\N=C\c4ccc(OC)cc4)c(=O)c23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I06 compound treatment 0.44 0.0145 0.46 0.428 0.0105 0.31 0.5431 0.9827 3020597 ChemDiv3_001238 COC(=O)Sc1nnc(o1)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I07 compound treatment 0.432 0.00652 0.2 0.42 0.00252 0.07 0.1976 0.9063 3020599 ChemDiv3_001239 Cc1cc(=O)[nH]c(SCC(=O)N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I08 compound treatment 0.444 0.0185 0.58 0.413 -0.00448 -0.13 0.3177 0.5321 3119051 ChemDiv3_001240 Cc1ccc(/N=C(\NC(=S)N)/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I09 compound treatment 0.396 -0.0295 -0.93 0.39 -0.0275 -0.81 -1.2314 -0.9979 3020601 ChemDiv3_001241 CN1CCN(CC1)NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I10 compound treatment 0.427 0.00152 0.05 0.404 -0.0135 -0.4 -0.2488 -0.6184 3119052 ChemDiv3_001242 CN(C)c1cc[n+](cc1)C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I11 compound treatment 0.469 0.0435 1.37 0.473 0.0555 1.65 2.1307 0.9958 3119053 ChemDiv3_001243 COc1ccccc1NC(=O)c/2cc3ccccc3o\c2=N/c4ccccc4F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I12 compound treatment 0.424 -0.00148 -0.05 0.411 -0.00648 -0.19 -0.1688 -0.854 1781772 ChemDiv3_001244 Cc1cc(/C=C(\C#N)/c2ccccc2)c(C)n1c3cc(C)cc(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I13 compound treatment 0.433 0.00752 0.24 0.433 0.0155 0.46 0.4922 0.9522 1709347 ChemDiv3_001245 COc1ccc(cc1OC)c2nnc(S)n2c3ccccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I14 compound treatment 0.453 0.0275 0.87 0.452 0.0345 1.02 1.335 0.9965 1417740 ChemDiv3_001246 OC(COc1cccc2cccnc12)Cn3c4ccccc4c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I15 compound treatment 0.423 -0.00248 -0.08 0.413 -0.00448 -0.13 -0.1492 -0.9679 1639763 ChemDiv3_001247 CC(C)(C)c1ccc(Cn2c(=N)n(CC(=O)O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I16 compound treatment 0.373 -0.0525 -1.65 0.373 -0.0445 -1.32 -2.099 -0.9938 3119054 ChemDiv3_001248 COc1ccc(CC/N=C/2\SCC(=O)N2Cc3ccccc3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I17 compound treatment 0.428 0.00252 0.08 0.402 -0.0155 -0.46 -0.2685 -0.5767 3020607 ChemDiv3_001249 Oc1ccccc1/C=N/N2C(=O)C3C4CC(C=C4)C3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I18 compound treatment 0.432 0.00652 0.2 0.415 -0.00248 -0.07 0.0928 0.4264 1913826 ChemDiv3_001250 COc1ccc(cc1)n2ccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I19 compound treatment 0.442 0.0165 0.52 0.439 0.0215 0.64 0.818 0.9948 3119055 ChemDiv3_001251 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(Cl)c3)/c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I20 compound treatment 0.406 -0.0195 -0.61 0.402 -0.0155 -0.46 -0.7576 -0.9899 1707679 ChemDiv3_001252 Cc1ccc(Oc2ccccc2)c(NC(=O)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I21 compound treatment 0.415 -0.0105 -0.33 0.395 -0.0225 -0.67 -0.7042 -0.9474 1775109 ChemDiv3_001253 CC(C)n1c(=S)[nH]c2n(C)c(=O)[nH]c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I22 compound treatment 0.193 -0.232 -7.31 0.365 -0.0525 -1.56 -6.2687 -0.8388 3020611 ChemDiv3_001254 Oc1ccc(CN2CCCC2)c3cccnc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I23 mock treatment 0.419 -0.00648 -0.2 0.398 -0.0195 -0.58 -0.5524 -0.9022 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 I24 mock treatment 0.424 -0.00148 -0.05 0.413 -0.00448 -0.13 -0.1269 -0.9015 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J01 compound treatment 0.445 0.0195 0.61 0.454 0.0365 1.08 1.199 0.9639 3119056 ChemDiv3_001255 CN1/C(=C(\C#N)/C(=O)c2ccc(F)cc2)/Nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J02 compound treatment 0.419 -0.00648 -0.2 0.436 0.0185 0.55 0.2438 0.4165 3020669 ChemDiv3_001256 COc1ccc(Br)cc1/C=C/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J03 compound treatment 0.465 0.0395 1.24 0.463 0.0455 1.35 1.8323 0.9992 3119057 ChemDiv3_001257 CC1=C(C(c2ccccc2)n3c(=O)/c(=C/c4cccs4)/sc3=N1)C(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J04 compound treatment 0.402 -0.0235 -0.74 0.399 -0.0185 -0.55 -0.9094 -0.9892 3020672 ChemDiv3_001258 Fc1ccccc1OCCSc2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J05 compound treatment 0.478 0.0525 1.65 0.475 0.0575 1.7 2.3728 0.9999 3119058 ChemDiv3_001259 FC(F)(F)c1cccc(N/C=C(/C#N)\c2nc(cs2)c3ccc4OCOc4c3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J06 compound treatment 0.453 0.0275 0.87 0.456 0.0385 1.14 1.4188 0.9907 3020674 ChemDiv3_001260 O=C/1N\C(=N/S(=O)(=O)c2ccccc2)\S\C1=C\c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J07 compound treatment 0.423 -0.00248 -0.08 0.403 -0.0145 -0.43 -0.3587 -0.8223 3119059 ChemDiv3_001261 CC1(C)CC(=O)C(=CNC2CCCC2)C(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J08 compound treatment 0.428 0.00252 0.08 0.416 -0.00148 -0.04 0.0249 0.2746 1223136 ChemDiv3_001262 OC(=O)CCC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J09 compound treatment 0.429 0.00352 0.11 0.416 -0.00148 -0.04 0.0471 0.3957 1160808 ChemDiv3_001263 CC(=O)Oc1ccccc1C(=O)N2CCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J10 compound treatment 0.411 -0.0145 -0.46 0.433 0.0155 0.46 0.0031 0.0047 1127019 ChemDiv3_001264 N=c1n(CC(=O)c2ccco2)c3ccccc3n1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J11 compound treatment 0.433 0.00752 0.24 0.419 0.00152 0.04 0.1989 0.8267 3020678 ChemDiv3_001265 O=C(CSc1nc2ccccc2s1)OCN3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J12 compound treatment 0.439 0.0135 0.42 0.448 0.0305 0.9 0.9399 0.9407 3119060 ChemDiv3_001266 C1C(=CC(=NN=C1c2cccs2)c3cccs3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J13 compound treatment 0.422 -0.00348 -0.11 0.415 -0.00248 -0.07 -0.1295 -0.9813 1124209 ChemDiv3_001267 O=C(CCN1C(=O)c2ccccc2C1=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J14 compound treatment 0.424 -0.00148 -0.05 0.426 0.00852 0.25 0.1454 0.5668 3020681 ChemDiv3_001268 CCNc1nc(NCC)nc(OCCOC(=O)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J15 compound treatment 0.428 0.00252 0.08 0.407 -0.0105 -0.31 -0.1637 -0.5107 1222243 ChemDiv3_001269 COc1ccc(cc1OC)C2=CC(c3ccccc3)c4ccccc4O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J16 compound treatment 0.403 -0.0225 -0.71 0.387 -0.0305 -0.9 -1.1386 -0.9927 1443019 ChemDiv3_001270 O=C(Nc1ccc(cc1)N2CCCCC2)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J17 compound treatment 0.439 0.0135 0.42 0.418 5.16E-4 0.02 0.3113 0.7321 1518842 ChemDiv3_001271 CCOC(=O)c1cc2c3c4CCCCc4oc3cc(I)c2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J18 compound treatment 0.449 0.0235 0.74 0.424 0.00652 0.19 0.6594 0.8628 3020684 ChemDiv3_001272 FC(F)(F)c1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J19 compound treatment 0.468 0.0425 1.34 0.456 0.0385 1.14 1.7523 0.9969 3119061 ChemDiv3_001273 Fc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccccc3)C(=O)NCCc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J20 compound treatment 0.43 0.00452 0.14 0.426 0.00852 0.25 0.2788 0.963 1484388 ChemDiv3_001274 Cc1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N3CCCC3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J21 compound treatment 0.473 0.0475 1.49 0.431 0.0135 0.4 1.3397 0.8661 3020364 ChemDiv3_001275 CN(C)c1ccc(/C=C(\C#N)/C(=C(C#N)C#N)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J22 compound treatment 0.436 0.0105 0.33 0.412 -0.00548 -0.16 0.1189 0.3228 1381241 ChemDiv3_001276 Nc1ccccc1Nc2c(N)c(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J23 mock treatment 0.415 -0.0105 -0.33 0.399 -0.0185 -0.55 -0.6204 -0.9705 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 J24 mock treatment 0.447 0.0215 0.68 0.433 0.0155 0.46 0.8035 0.9823 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K01 compound treatment 0.521 0.0955 3.0 0.504 0.0865 2.56 3.9364 0.9969 3020366 ChemDiv3_001277 Oc1ccccc1N2C(=O)/C(=C/c3ccc(Br)cc3)/C=C2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K02 compound treatment 0.416 -0.00948 -0.3 0.428 0.0105 0.31 0.0095 0.022 3119062 ChemDiv3_001278 CCOC(=O)c1cnn(c1N)c2nc(C)cc(C)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K03 compound treatment 0.423 -0.00248 -0.08 0.425 0.00752 0.22 0.1023 0.4333 1164643 ChemDiv3_001279 Cc1nn(c(C)c1Sc2n[nH]c(=O)[nH]c2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K04 compound treatment 0.468 0.0425 1.34 0.457 0.0395 1.17 1.7733 0.9978 3119063 ChemDiv3_001280 Cc1ccc2nc(Nc3ccccc3)nc(c4ccccc4)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K05 compound treatment 0.425 -4.84E-4 -0.02 0.422 0.00452 0.13 0.0839 0.6227 1371214 ChemDiv3_001281 CCOC(=O)c1cnn(c1NC(=O)c2ccccc2F)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K06 compound treatment 0.43 0.00452 0.14 0.413 -0.00448 -0.13 0.0065 0.0332 3020371 ChemDiv3_001282 COC(=O)C(C)Sc1nnc(o1)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K07 compound treatment 0.43 0.00452 0.14 0.433 0.0155 0.46 0.4255 0.8843 3119064 ChemDiv3_001283 Cc1nc(cs1)c2c(oc3cc(O)ccc3c2=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K08 compound treatment 0.432 0.00652 0.2 0.43 0.0125 0.37 0.4071 0.9609 3020374 ChemDiv3_001284 Brc1ccc(cc1)n2c(nc(=S)c3CCCCc32)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K09 compound treatment 0.437 0.0115 0.36 0.456 0.0385 1.14 1.0631 0.8878 3119065 ChemDiv3_001285 CSc1nnc(c(=O)n1/N=C/c2c(O)ccc3ccccc23)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K10 compound treatment 0.451 0.0255 0.8 0.433 0.0155 0.46 0.8924 0.9651 3020376 ChemDiv3_001286 CCN(CC)C(=O)[n+]1ccc(OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K11 compound treatment 0.421 -0.00448 -0.14 0.432 0.0145 0.43 0.2045 0.4517 1516068 ChemDiv3_001287 CCCOC(=O)C1=C(C)N(CC)C(=O)NC1c2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K12 compound treatment 0.432 0.00652 0.2 0.432 0.0145 0.43 0.449 0.9425 3119198 ChemDiv3_001288 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K13 compound treatment 0.427 0.00152 0.05 0.429 0.0115 0.34 0.275 0.7981 3119199 ChemDiv3_001289 Cc1ccc(/C=N/c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K14 compound treatment 0.432 0.00652 0.2 0.434 0.0165 0.49 0.4909 0.9253 3020408 ChemDiv3_001290 COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)/c(=O)n2C1c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K15 compound treatment 0.408 -0.0175 -0.55 0.406 -0.0115 -0.34 -0.6294 -0.9734 1548396 ChemDiv3_001291 CC(C)(C)C(O)Cn1c(=N)n(CCN2CCCCC2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K16 compound treatment 0.42 -0.00548 -0.17 0.423 0.00552 0.16 -0.0064 -0.0267 3020412 ChemDiv3_001292 CC1=NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K17 compound treatment 0.446 0.0205 0.65 0.443 0.0255 0.76 0.9908 0.9969 3119200 ChemDiv3_001293 Brc1cccc(c1)C2CC(=O)c3c(N2)ccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K18 compound treatment 0.423 -0.00248 -0.08 0.396 -0.0215 -0.64 -0.5054 -0.788 1559376 ChemDiv3_001294 CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K19 compound treatment 0.471 0.0455 1.43 0.455 0.0375 1.11 1.7981 0.9922 3119201 ChemDiv3_001295 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(OC)cc3)/c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K20 compound treatment 0.474 0.0485 1.53 0.424 0.00652 0.19 1.2152 0.7903 1381466 ChemDiv3_001296 COc1ccc(cc1)n2c(nc3cc4OCOc4cc23)c5ccc(Br)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K21 compound treatment 0.412 -0.0135 -0.42 0.411 -0.00648 -0.19 -0.4357 -0.9359 1048818 ChemDiv3_001297 O=C(Oc1ccccc1)C(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K22 compound treatment 0.43 0.00452 0.14 0.401 -0.0165 -0.49 -0.245 -0.4816 1302006 ChemDiv3_001298 CCc1nc(C)cn1S(=O)(=O)c2cc(OC)ccc2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K23 mock treatment 0.423 -0.00248 -0.08 0.404 -0.0135 -0.4 -0.3377 -0.8296 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 K24 mock treatment 0.422 -0.00348 -0.11 0.424 0.00652 0.19 0.0591 0.2661 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L01 compound treatment 0.456 0.0305 0.96 0.452 0.0345 1.02 1.4017 0.9995 3119202 ChemDiv3_001299 CN1/C(=C(\C#N)/C(=O)c2ccccc2NS(=O)(=O)c3ccc(C)cc3)/Nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L02 compound treatment 0.429 0.00352 0.11 0.438 0.0205 0.61 0.508 0.8222 1913204 ChemDiv3_001300 OC(=O)/C=C/c1ccc(o1)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L03 compound treatment 0.4 -0.0255 -0.8 0.396 -0.0215 -0.64 -1.0168 -0.9935 1267306 ChemDiv3_001301 Clc1ccc(OCC(=O)NCc2n[nH]c(=S)n2c3cccc(Cl)c3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L04 compound treatment 0.414 -0.0115 -0.36 0.417 -4.84E-4 -0.01 -0.2655 -0.7346 1204085 ChemDiv3_001302 O=C1CC(CC(=C1)NC2CCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L05 compound treatment 0.444 0.0185 0.58 0.478 0.0605 1.79 1.6797 0.8909 3119203 ChemDiv3_001303 Fc1ccccc1N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L06 compound treatment 0.498 0.0725 2.28 0.482 0.0645 1.91 2.9641 0.9962 3119204 ChemDiv3_001304 O=C/1N\C(=N\S(=O)(=O)c2ccccc2)\S\C1=C/3\C(=O)Nc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L07 compound treatment 0.419 -0.00648 -0.2 0.421 0.00352 0.1 -0.0705 -0.3079 3020464 ChemDiv3_001305 CC1(C)CC(=O)C(=CNCc2ccc(F)cc2)C(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L08 compound treatment 0.422 -0.00348 -0.11 0.414 -0.00348 -0.1 -0.1505 -0.9996 1301856 ChemDiv3_001306 OC(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L09 compound treatment 0.423 -0.00248 -0.08 0.423 0.00552 0.16 0.0604 0.3332 1358651 ChemDiv3_001307 OC1(N(CCc2ccccc2)C(=O)c3ccccc31)c4ncc[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L10 compound treatment 0.412 -0.0135 -0.42 0.42 0.00252 0.07 -0.2471 -0.574 3119205 ChemDiv3_001308 O=C(CN1C2=NCCCN2c3ccccc13)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L11 compound treatment 0.423 -0.00248 -0.08 0.43 0.0125 0.37 0.207 0.5462 1633574 ChemDiv3_001309 CC1=C(C)CC(C(C1)C(=O)O)C(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L12 compound treatment 0.462 0.0365 1.15 0.458 0.0405 1.2 1.6608 0.9998 1136469 ChemDiv3_001310 Sc1nc2sc3CCCc3c2c(=O)n1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L13 compound treatment 0.43 0.00452 0.14 0.415 -0.00248 -0.07 0.0484 0.3024 1155907 ChemDiv3_001311 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L14 compound treatment 0.394 -0.0315 -0.99 0.389 -0.0285 -0.84 -1.2968 -0.9968 1677666 ChemDiv3_001312 CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L15 compound treatment 0.446 0.0205 0.65 0.45 0.0325 0.96 1.1375 0.981 3119206 ChemDiv3_001313 COc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L16 compound treatment 0.421 -0.00448 -0.14 0.433 0.0155 0.46 0.2254 0.4687 3020469 ChemDiv3_001314 CCCOC(=O)Nc1cccc(c1)C(=O)OCCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L17 compound treatment 0.457 0.0315 0.99 0.447 0.0295 0.87 1.3192 0.9981 3119207 ChemDiv3_001315 Cc1ccc(cc1)c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L18 compound treatment 0.449 0.0235 0.74 0.435 0.0175 0.52 0.8899 0.985 1128259 ChemDiv3_001316 CCOc1ccc(NC(=O)C2c3ccccc3Oc4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L19 compound treatment 0.426 5.16E-4 0.02 0.409 -0.00848 -0.25 -0.1663 -0.6601 3119208 ChemDiv3_001317 CN/1C(=O)CC(S\C1=N\c2ccc(I)cc2)C(=O)NCCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L20 compound treatment 0.427 0.00152 0.05 0.409 -0.00848 -0.25 -0.1441 -0.563 1229602 ChemDiv3_001318 Cc1ccc(cc1C(=O)Oc2cccc3cccnc23)S(=O)(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L21 compound treatment 0.403 -0.0225 -0.71 0.405 -0.0125 -0.37 -0.7615 -0.9543 1681096 ChemDiv3_001319 COc1cccc(C(O)c2nccn2C)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L22 compound treatment 0.423 -0.00248 -0.08 0.411 -0.00648 -0.19 -0.1911 -0.9213 1212845 ChemDiv3_001320 CCn1c(C)nc2c(=O)oc3ccccc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L23 mock treatment 0.409 -0.0165 -0.52 0.415 -0.00248 -0.07 -0.4185 -0.7995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 L24 mock treatment 0.431 0.00552 0.17 0.428 0.0105 0.31 0.343 0.9617 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M01 compound treatment 0.491 0.0655 2.06 0.509 0.0915 2.71 3.3742 0.9908 3119209 ChemDiv3_001321 O=C/1N(C2CCCCC2)C(=S)S\C1=C/c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M02 compound treatment 0.434 0.00852 0.27 0.432 0.0145 0.43 0.4935 0.974 3119210 ChemDiv3_001322 COC(=O)CN1C(c2ccccc2)c3cc(C)ccc3N=C1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M03 compound treatment 0.453 0.0275 0.87 0.463 0.0455 1.35 1.5655 0.977 3020541 ChemDiv3_001323 Clc1ccc(/C=C/2\SC(=O)N(Cc3ccccc3)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M04 compound treatment 0.377 -0.0485 -1.52 0.371 -0.0465 -1.38 -2.0519 -0.9987 3119211 ChemDiv3_001324 NNc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M05 compound treatment 0.433 0.00752 0.24 0.433 0.0155 0.46 0.4922 0.9522 3020543 ChemDiv3_001325 CC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M06 compound treatment 0.423 -0.00248 -0.08 0.428 0.0105 0.31 0.1651 0.514 1584812 ChemDiv3_001326 CC(C(Cc1cc(C)cc(C)c1)C(=O)O)C(=O)NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M07 compound treatment 0.427 0.00152 0.05 0.415 -0.00248 -0.07 -0.0183 -0.2091 1680758 ChemDiv3_001327 CCOC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3csc(C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M08 compound treatment 0.442 0.0165 0.52 0.438 0.0205 0.61 0.7971 0.9969 3020614 ChemDiv3_001328 Cn1/c(=N/C(=O)c2ccc(F)cc2)/sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M09 compound treatment 0.432 0.00652 0.2 0.423 0.00552 0.16 0.2605 0.9937 1701030 ChemDiv3_001329 C1OC(OCC12COC(OC2)c3cccnc3)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M10 compound treatment 0.462 0.0365 1.15 0.452 0.0345 1.02 1.5351 0.9983 1243322 ChemDiv3_001330 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C4OC(C)(C=C4)C3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M11 compound treatment 0.439 0.0135 0.42 0.424 0.00652 0.19 0.437 0.9363 3119212 ChemDiv3_001331 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2cccc(C#N)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M12 compound treatment 0.423 -0.00248 -0.08 0.418 5.16E-4 0.02 -0.0444 -0.558 1297939 ChemDiv3_001332 OC(=O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M13 compound treatment 0.436 0.0105 0.33 0.433 0.0155 0.46 0.5589 0.9869 1112646 ChemDiv3_001333 Clc1ccc(cc1)C(=O)Nc2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M14 compound treatment 0.423 -0.00248 -0.08 0.429 0.0115 0.34 0.1861 0.5315 1527595 ChemDiv3_001334 O=C1CSC(N1C2CCCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M15 compound treatment 0.567 0.142 4.45 0.514 0.0965 2.86 5.1687 0.9772 1359293 ChemDiv3_001335 CCCn1c(=N)n(CC(O)c2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M16 compound treatment 0.408 -0.0175 -0.55 0.406 -0.0115 -0.34 -0.6294 -0.9734 1703127 ChemDiv3_001336 Cc1nn(C(CC(=O)O)C(=O)O)c(C)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M17 compound treatment 0.476 0.0505 1.59 0.476 0.0585 1.73 2.3492 0.999 3119213 ChemDiv3_001337 Cc1ccccc1C2CC(=O)c3c(N2)ccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M18 compound treatment 0.433 0.00752 0.24 0.442 0.0245 0.73 0.6808 0.8912 3020623 ChemDiv3_001338 CCCCN1C(=O)/C(=C\2/Sc3ccc(OC)cc3N2C)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M19 compound treatment 0.428 0.00252 0.08 0.414 -0.00348 -0.1 -0.0171 -0.1311 1127450 ChemDiv3_001339 COC(=O)c1c(NC(=O)c2c(C)onc2c3ccccc3Cl)sc4CCCCc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M20 compound treatment 0.426 5.16E-4 0.02 0.419 0.00152 0.04 0.0432 0.9053 1635195 ChemDiv3_001340 COc1ccc(NC(=O)Nc2c(SC)nsc2SC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M21 compound treatment 0.424 -0.00148 -0.05 0.411 -0.00648 -0.19 -0.1688 -0.854 3119214 ChemDiv3_001341 Nc1ccc(cc1)C(=O)OCCCc2nc3cc4ccccc4cc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M22 compound treatment 0.421 -0.00448 -0.14 0.417 -4.84E-4 -0.01 -0.1098 -0.775 1632781 ChemDiv3_001342 Cc1ccc(c(C)c1)S(=O)(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M23 mock treatment 0.431 0.00552 0.17 0.421 0.00352 0.1 0.1963 0.9703 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 M24 mock treatment 0.433 0.00752 0.24 0.425 0.00752 0.22 0.3246 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N01 compound treatment 0.456 0.0305 0.96 0.474 0.0565 1.67 1.8627 0.9651 1638529 ChemDiv3_001343 COC(=O)C1=C(CCS1)NC(=O)c2ccccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N02 compound treatment 0.421 -0.00448 -0.14 0.411 -0.00648 -0.19 -0.2355 -0.9884 1175429 ChemDiv3_001344 Cc1c(oc2ccccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N03 compound treatment 0.423 -0.00248 -0.08 0.428 0.0105 0.31 0.1651 0.514 3119343 ChemDiv3_001345 CCOc1cccc(c1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N04 compound treatment 0.406 -0.0195 -0.61 0.412 -0.00548 -0.16 -0.5481 -0.8648 3020687 ChemDiv3_001346 N/C(=N\O)/CSc1nc2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N05 compound treatment 0.422 -0.00348 -0.11 0.432 0.0145 0.43 0.2267 0.5107 1691239 ChemDiv3_001347 CCOC(=O)C1CCCN(Cc2ccccc2)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N06 compound treatment 0.412 -0.0135 -0.42 0.418 5.16E-4 0.02 -0.289 -0.6812 1225871 ChemDiv3_001348 COc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c3ccc(OC)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N07 compound treatment 0.457 0.0315 0.99 0.455 0.0375 1.11 1.4868 0.9984 3119344 ChemDiv3_001349 CCOC(=O)c1sc2nc[nH]c(=O)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N08 compound treatment 0.417 -0.00848 -0.27 0.424 0.00652 0.19 -0.0521 -0.1582 1528087 ChemDiv3_001350 Cc1cc(C)nc(Nc2ncc(O)n2c3ccc(Cl)c(Cl)c3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N09 compound treatment 0.4 -0.0255 -0.8 0.41 -0.00748 -0.22 -0.7234 -0.8701 1141041 ChemDiv3_001351 OC(=O)CCP(=O)(O)CN1CCCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N10 compound treatment 0.468 0.0425 1.34 0.46 0.0425 1.26 1.8361 0.9996 1699621 ChemDiv3_001352 Clc1ccc(cc1Cl)C(=O)Cn2c(=N)n(Cc3ccccc3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N11 compound treatment 0.368 -0.0575 -1.81 0.383 -0.0345 -1.02 -2.0006 -0.9635 3020690 ChemDiv3_001353 CCC1C(=O)NC(=NC1=O)SCC(=O)Nc2ccc(Br)cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N12 compound treatment 0.424 -0.00148 -0.05 0.444 0.0265 0.79 0.5226 0.6639 1287141 ChemDiv3_001354 CC(=O)Nc1ccc(cc1)C(=O)CSc2nc(C)cc(O)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N13 compound treatment 0.433 0.00752 0.24 0.422 0.00452 0.13 0.2617 0.9637 1716124 ChemDiv3_001355 Cc1cc(OC(=O)C2COc3ccccc3O2)cc(C)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N14 compound treatment 0.424 -0.00148 -0.05 0.419 0.00152 0.04 -0.0012 -0.0189 3119345 ChemDiv3_001356 CCN1OCN(C1=N)c2nc(nc(n2)N(C)C)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N15 compound treatment 0.428 0.00252 0.08 0.434 0.0165 0.49 0.402 0.8109 3119346 ChemDiv3_001357 COc1ccc(cc1)c2cc3cc(OC)c(OC)cc3c(Cc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N16 compound treatment 0.412 -0.0135 -0.42 0.415 -0.00248 -0.07 -0.3518 -0.8176 1442772 ChemDiv3_001358 CCOC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N17 compound treatment 0.427 0.00152 0.05 0.436 0.0185 0.55 0.4217 0.7657 3119347 ChemDiv3_001359 Cc1cc(C)c2cccc(NC(=S)NC(=O)/C=C/c3ccccc3)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N18 compound treatment 0.467 0.0415 1.31 0.428 0.0105 0.31 1.1434 0.852 1476763 ChemDiv3_001360 CC1CC(C)CN(C1)C(=O)C2c3ccccc3Oc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N19 compound treatment 0.41 -0.0155 -0.49 0.41 -0.00748 -0.22 -0.5011 -0.9366 1211865 ChemDiv3_001361 COc1ccc(cc1)N2C(=O)CC(SCC(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N20 compound treatment 0.416 -0.00948 -0.3 0.423 0.00552 0.16 -0.0953 -0.2802 1518987 ChemDiv3_001362 O=C(N1CCCc2ccccc12)c3cccc(c3)S(=O)(=O)NC4CCCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N21 compound treatment 0.415 -0.0105 -0.33 0.413 -0.00448 -0.13 -0.327 -0.9202 1331290 ChemDiv3_001363 CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N22 compound treatment 0.42 -0.00548 -0.17 0.431 0.0135 0.4 0.1613 0.3698 1486835 ChemDiv3_001364 Cc1nc2c(=O)oc3ccccc3c2n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N23 mock treatment 0.426 5.16E-4 0.02 0.407 -0.0105 -0.31 -0.2082 -0.6693 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 N24 mock treatment 0.446 0.0205 0.65 0.425 0.00752 0.22 0.6136 0.8992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O01 compound treatment 0.511 0.0855 2.69 0.502 0.0845 2.5 3.6722 0.9994 1423808 ChemDiv3_001365 CCOc1ccc(cc1Br)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O02 compound treatment 0.514 0.0885 2.78 0.498 0.0805 2.39 3.6551 0.9971 3119348 ChemDiv3_001366 CCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccccc4)ccc1c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O03 compound treatment 0.494 0.0685 2.15 0.506 0.0885 2.62 3.378 0.9952 3020430 ChemDiv3_001367 Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O04 compound treatment 0.434 0.00852 0.27 0.42 0.00252 0.07 0.2421 0.8709 1324540 ChemDiv3_001368 CCOc1ccc(NC(=O)NC2(CC3CC4CC(C3)C2)C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O05 compound treatment 0.427 0.00152 0.05 0.439 0.0215 0.64 0.4845 0.7579 1278554 ChemDiv3_001369 Clc1cccc(c1)C(=O)NCC(=O)Nc2ccc(Br)cc2C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O06 compound treatment 0.448 0.0225 0.71 0.43 0.0125 0.37 0.7629 0.9545 1711492 ChemDiv3_001370 CN1N=C(C(NC(=O)C)C1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O07 compound treatment 0.408 -0.0175 -0.55 0.413 -0.00448 -0.13 -0.4827 -0.8534 1278126 ChemDiv3_001371 CC(C)Oc1ccc2c(=O)c(c(C)oc2c1)c3ccc4OCCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O08 compound treatment 0.51 0.0845 2.66 0.503 0.0855 2.53 3.6709 0.9997 3021156 ChemDiv3_001372 N(=c/1\scc(c2cccs2)n1c3ccccc3)\c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O09 compound treatment 0.491 0.0655 2.06 0.488 0.0705 2.09 2.9342 1.0 3021157 ChemDiv3_001373 FC(F)(F)c1ccccc1/C=C/2\N=C(OC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O10 compound treatment 0.486 0.0605 1.9 0.478 0.0605 1.79 2.6135 0.9996 3021158 ChemDiv3_001374 COc1ccccc1NC(=O)/C=C\c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O11 compound treatment 0.44 0.0145 0.46 0.446 0.0285 0.84 0.9202 0.9582 3119349 ChemDiv3_001375 CCCCn1c(Cc2ccccc2)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O12 compound treatment 0.443 0.0175 0.55 0.427 0.00952 0.28 0.5888 0.9517 1533954 ChemDiv3_001376 OC(=O)c1cc(NC(=O)c2cccs2)cc(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O13 compound treatment 0.437 0.0115 0.36 0.437 0.0195 0.58 0.665 0.9746 1377349 ChemDiv3_001377 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O14 compound treatment 0.461 0.0355 1.12 0.46 0.0425 1.26 1.6805 0.9982 3119350 ChemDiv3_001378 CCOC(=O)CC/1=NN(C(=O)\C1=C/c2cc(OC)c(OC)cc2OC)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O15 compound treatment 0.456 0.0305 0.96 0.452 0.0345 1.02 1.4017 0.9995 3021159 ChemDiv3_001379 CCn1c(/C=N/c2ccccc2)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O16 compound treatment 0.407 -0.0185 -0.58 0.395 -0.0225 -0.67 -0.8821 -0.9977 1912932 ChemDiv3_001380 CCOC(=O)C1CNN=C1C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O17 compound treatment 0.448 0.0225 0.71 0.456 0.0385 1.14 1.3076 0.9736 1144944 ChemDiv3_001381 CCOC(=O)c1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O18 compound treatment 0.497 0.0715 2.25 0.473 0.0555 1.65 2.7533 0.9882 3021160 ChemDiv3_001382 CCN1/C(=C\C(=S)CC)/Sc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O19 compound treatment 0.439 0.0135 0.42 0.427 0.00952 0.28 0.4999 0.9801 1434944 ChemDiv3_001383 Brc1ccc(OCC(=O)NCC2CCCO2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O20 compound treatment 0.43 0.00452 0.14 0.423 0.00552 0.16 0.216 0.9975 1002861 ChemDiv3_001384 CC(Oc1ccccc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O21 compound treatment 0.448 0.0225 0.71 0.436 0.0185 0.55 0.8886 0.9921 3119351 ChemDiv3_001385 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O22 compound treatment 0.463 0.0375 1.18 0.448 0.0305 0.9 1.4735 0.9914 3021161 ChemDiv3_001386 CCOC(=O)/C=C(\C)/Nc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O23 mock treatment 0.449 0.0235 0.74 0.426 0.00852 0.25 0.7013 0.8976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 O24 mock treatment 0.453 0.0275 0.87 0.444 0.0265 0.79 1.1674 0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P01 compound treatment 0.501 0.0755 2.37 0.502 0.0845 2.5 3.4499 0.9996 1607061 ChemDiv3_001387 COC(=O)C1=C(CCS1)NC(=O)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P02 compound treatment 0.452 0.0265 0.83 0.448 0.0305 0.9 1.229 0.9992 3021162 ChemDiv3_001388 CN1CNC(=NS(=O)(=O)c2ccc(NC(=O)C)cc2)NC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P03 compound treatment 0.456 0.0305 0.96 0.458 0.0405 1.2 1.5274 0.9938 1145842 ChemDiv3_001389 CCCCn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P04 compound treatment 0.465 0.0395 1.24 0.464 0.0465 1.38 1.8532 0.9987 1326168 ChemDiv3_001390 CCOC(=O)c1[nH]c(C(=O)O)c(CC)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P05 compound treatment 0.504 0.0785 2.47 0.496 0.0785 2.33 3.3908 0.9996 3119352 ChemDiv3_001391 CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P06 compound treatment 0.477 0.0515 1.62 0.475 0.0575 1.7 2.3505 0.9997 1659137 ChemDiv3_001392 CC(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P07 compound treatment 0.463 0.0375 1.18 0.444 0.0265 0.79 1.3897 0.9805 1602384 ChemDiv3_001393 COc1cccc(c1)C(=O)NCCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P08 compound treatment 0.464 0.0385 1.21 0.465 0.0475 1.41 1.852 0.9972 3119353 ChemDiv3_001394 CC1CCc2sc(NC(=O)C(Cc3ccccc3)Cc4ccccc4)c(C#N)c2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P09 compound treatment 0.523 0.0975 3.07 0.509 0.0915 2.71 4.0857 0.9981 3021163 ChemDiv3_001395 CCOC(=O)c1c(oc2ccc(O)c(CSCC(=O)Nc3ccccc3)c12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P10 compound treatment 0.478 0.0525 1.65 0.471 0.0535 1.59 2.2889 0.9998 3119354 ChemDiv3_001396 Cc1cccc(c1)C(=O)Sc2cccccc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P11 compound treatment 0.433 0.00752 0.24 0.426 0.00852 0.25 0.3455 0.9995 1345562 ChemDiv3_001397 Cc1ccc(o1)c2c(C#N)c(SCC=C)nc3CCCCc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P12 compound treatment 0.45 0.0245 0.77 0.444 0.0265 0.79 1.1007 1.0 1469960 ChemDiv3_001398 CN1CCN(CCCN2C(SCC2=O)c3ccc(F)cc3)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P13 compound treatment 0.449 0.0235 0.74 0.443 0.0255 0.76 1.0575 0.9999 1737932 ChemDiv3_001399 COC(=O)COc1ccc2c(=O)c(coc2c1)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P14 compound treatment 0.445 0.0195 0.61 0.446 0.0285 0.84 1.0314 0.9877 1405560 ChemDiv3_001400 Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P15 compound treatment 0.487 0.0615 1.93 0.482 0.0645 1.91 2.7195 1.0 1711766 ChemDiv3_001401 CCc1nc(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P16 compound treatment 0.444 0.0185 0.58 0.44 0.0225 0.67 0.8835 0.9977 3021164 ChemDiv3_001402 Cc1ccc(cc1C)S(=O)(=O)N2CCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P17 compound treatment 0.504 0.0785 2.47 0.487 0.0695 2.06 3.2023 0.9959 1435290 ChemDiv3_001403 CC1(C)Cc2c(sc3ncn4nc(nc4c23)c5ccccc5)C(C)(C)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P18 compound treatment 0.489 0.0635 2.0 0.499 0.0815 2.42 3.1202 0.9955 1603940 ChemDiv3_001404 COc1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P19 compound treatment 0.432 0.00652 0.2 0.44 0.0225 0.67 0.6167 0.8835 3119355 ChemDiv3_001405 CC(C)Oc1ccc(cc1)C2CC(=O)NNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P20 compound treatment 0.42 -0.00548 -0.17 0.423 0.00552 0.16 -0.0064 -0.0267 1788078 ChemDiv3_001406 Cc1ccc(cc1S(=O)(=O)N2CCCC2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P21 compound treatment 0.431 0.00552 0.17 0.439 0.0215 0.64 0.5735 0.8679 3021165 ChemDiv3_001407 O=C(NN1C(=O)/C(=C\c2cccnc2)/SC1=S)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P22 compound treatment 0.472 0.0465 1.46 0.452 0.0345 1.02 1.7574 0.9847 1314274 ChemDiv3_001408 COc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc(cc4)c5ccccc5)cc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P23 mock treatment 0.448 0.0225 0.71 0.447 0.0295 0.87 1.1191 0.9945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2004 P24 mock treatment 0.503 0.0775 2.44 0.496 0.0785 2.33 3.3686 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A01 compound treatment 0.468 0.0456 1.43 0.452 0.0278 0.82 1.5962 0.9655 3118959 ChemDiv3_003873 COC(=O)C(CC(C)C)N1C=C(C(C(=C1)C(=O)OC)c2ccc(Br)cc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A02 compound treatment 0.439 0.0166 0.52 0.435 0.0108 0.32 0.5952 0.9727 3023755 ChemDiv3_003874 CN(C)c1ccc(cc1)n2cccc2C=C3C(=O)N(C)C(=S)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A03 compound treatment 0.44 0.0176 0.55 0.432 0.00781 0.23 0.5546 0.9254 1344150 ChemDiv3_003875 CSc1nnc-2c(OC(C)Nc3ccccc32)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A04 compound treatment 0.423 5.81E-4 0.02 0.418 -0.00619 -0.18 -0.1167 -0.6336 3118960 ChemDiv3_003876 O=C(CSc1nnc(COc2ccccc2)o1)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A05 compound treatment 0.466 0.0436 1.37 0.47 0.0458 1.36 1.9289 1.0 3023867 ChemDiv3_003877 CCc1ccc2NC(=O)/C(=C/3\SC(=N)NC3=O)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A06 compound treatment 0.463 0.0406 1.28 0.463 0.0388 1.15 1.7155 0.9987 1867181 ChemDiv3_003878 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CNC(C)(C)C)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A07 compound treatment 0.439 0.0166 0.52 0.438 0.0138 0.41 0.6581 0.9928 3118961 ChemDiv3_003879 CCc1ccc(/C=N/n2c(C)nnc2n3nc(C)cc3C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A08 compound treatment 0.433 0.0106 0.33 0.429 0.00481 0.14 0.3361 0.9285 1292139 ChemDiv3_003880 O=C(N1c2ccccc2Sc3ccccc13)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A09 compound treatment 0.439 0.0166 0.52 0.444 0.0198 0.59 0.7838 0.9982 3119097 ChemDiv3_003881 CN1C(=O)/C(=C/2\S\C(=N/c3ccc(F)cc3)\NC2=O)/c4cc(Br)cc(C)c14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A10 compound treatment 0.438 0.0156 0.49 0.428 0.00381 0.11 0.4263 0.8479 3023868 ChemDiv3_003882 CCCn1c(C)cc(C)c(C#N)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A11 compound treatment 0.433 0.0106 0.33 0.44 0.0158 0.47 0.5666 0.9859 3023869 ChemDiv3_003883 CC(Cc1ccccc1)[n+]2[cH-]/c(=N\C(=O)N)/on2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A12 compound treatment 0.462 0.0396 1.24 0.444 0.0198 0.59 1.2952 0.9412 1249817 ChemDiv3_003884 COc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A13 compound treatment 0.472 0.0496 1.56 0.473 0.0488 1.45 2.1251 0.9993 3119098 ChemDiv3_003885 Cc1ccc(Nc2nnc(c3ccc(C)c(c3)S(=O)(=O)NCC4CCCO4)c5ccccc25)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A14 compound treatment 0.477 0.0546 1.72 0.458 0.0338 1.0 1.922 0.9672 3023870 ChemDiv3_003886 C(Cc1c[nH]c2ccccc12)NCc3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A15 compound treatment 0.425 0.00258 0.08 0.412 -0.0122 -0.36 -0.198 -0.5349 1549146 ChemDiv3_003887 Clc1ccc(SCC(=O)Nc2ccc(cc2)c3nc4ncccc4o3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A16 compound treatment 0.463 0.0406 1.28 0.454 0.0298 0.88 1.5269 0.9839 3023871 ChemDiv3_003888 CCCN(CCC)C1=C(N(CC(=O)N)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A17 compound treatment 0.438 0.0156 0.49 0.444 0.0198 0.59 0.7615 0.996 1118860 ChemDiv3_003889 CCN(CC)CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A18 compound treatment 0.443 0.0206 0.65 0.442 0.0178 0.53 0.8308 0.9949 1173412 ChemDiv3_003890 Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A19 compound treatment 0.426 0.00358 0.11 0.435 0.0108 0.32 0.3062 0.9015 1387978 ChemDiv3_003891 CN(C)C1CS(=O)(=O)CC1N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A20 compound treatment 0.411 -0.0114 -0.36 0.4 -0.0242 -0.72 -0.7607 -0.9489 1867723 ChemDiv3_003892 COc1ccccc1COc2ccc3c4CCCCCc4c(=O)oc3c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A21 compound treatment 0.419 -0.00342 -0.11 0.414 -0.0102 -0.3 -0.2895 -0.9034 1361724 ChemDiv3_003893 O=C(NCc1ccccc1)NC2CCS(=O)(=O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A22 compound treatment 0.452 0.0296 0.93 0.446 0.0218 0.65 1.1147 0.9842 1233165 ChemDiv3_003894 Cc1oc(cc1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A23 mock treatment 0.419 -0.00342 -0.11 0.432 0.00781 0.23 0.0877 0.3435 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 A24 mock treatment 0.412 -0.0104 -0.33 0.415 -0.00919 -0.27 -0.4242 -0.9958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B01 compound treatment 0.443 0.0206 0.65 0.437 0.0128 0.38 0.726 0.9677 3119099 ChemDiv3_003895 CN(/N=C/c1ccccc1)C2=NS(=O)(=O)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B02 compound treatment 0.451 0.0286 0.9 0.462 0.0378 1.12 1.4277 0.994 3119100 ChemDiv3_003896 COC(=O)C1=C(C)N/C(=C/c2cc(C)n(c2C)c3ccc(OC)c(Cl)c3)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B03 compound treatment 0.449 0.0266 0.84 0.446 0.0218 0.65 1.048 0.9919 3023872 ChemDiv3_003897 COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B04 compound treatment 0.41 -0.0124 -0.39 0.416 -0.00819 -0.24 -0.4477 -0.9738 3023873 ChemDiv3_003898 Cc1ccc(cc1)c2c[n+]([O-])c3CCCc3[n+]2[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B05 compound treatment 0.424 0.00158 0.05 0.427 0.00281 0.08 0.0941 0.9695 3119101 ChemDiv3_003899 O=c1[nH]c2ccccc2n1CCCSc3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B06 compound treatment 0.426 0.00358 0.11 0.424 -1.88E-4 -0.01 0.0757 0.6714 1401658 ChemDiv3_003900 CCOC(=O)c1c(oc2ccc(OCC(=O)OC)cc12)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B07 compound treatment 0.46 0.0376 1.18 0.463 0.0388 1.15 1.6488 0.9999 1210771 ChemDiv3_003901 CC(C)Cn1c(=O)c2cc3c(=O)n(CC(C)C)c(=O)c3c(C(=O)c4ccc(Cl)cc4)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B08 compound treatment 0.428 0.00558 0.18 0.42 -0.00419 -0.12 0.0363 0.1691 1511593 ChemDiv3_003902 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B09 compound treatment 0.444 0.0216 0.68 0.456 0.0318 0.94 1.1464 0.987 1487762 ChemDiv3_003903 O=S(=O)(NCCC1(CC2CC3CC(C2)C1)C3)c4cccc5nsnc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B10 compound treatment 0.447 0.0246 0.77 0.445 0.0208 0.62 0.9826 0.9937 3023874 ChemDiv3_003904 COc1cc(/C=C\2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc4ccc(C)c(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B11 compound treatment 0.431 0.00858 0.27 0.414 -0.0102 -0.3 -0.0227 -0.056 3119102 ChemDiv3_003905 CN(C)/C=N/c1c(C#N)cnn1c2ncnc3sc4CCCc4c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B12 compound treatment 0.445 0.0226 0.71 0.435 0.0108 0.32 0.7286 0.9354 3023875 ChemDiv3_003906 COc1ccc2N3C(=NC(=O)C(Cc4ccccc4)C3=O)Sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B13 compound treatment 0.432 0.00958 0.3 0.412 -0.0122 -0.36 -0.0423 -0.09 1072961 ChemDiv3_003907 O=c1n(Cc2ccccc2)nc(c3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B14 compound treatment 0.414 -0.00842 -0.26 0.421 -0.00319 -0.09 -0.254 -0.9036 1739914 ChemDiv3_003908 Clc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2NCCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B15 compound treatment 0.378 -0.0444 -1.4 0.391 -0.0332 -0.98 -1.683 -0.9853 3023876 ChemDiv3_003909 C(Sc1nc2ccccc2[nH]1)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B16 compound treatment 0.47 0.0476 1.5 0.468 0.0438 1.3 1.9759 0.9975 1325550 ChemDiv3_003910 NC1=C(C#N)C(c2sc3ccccc3c2O1)c4ccccc4OC(=O)c5ccccc5Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B17 compound treatment 0.44 0.0176 0.55 0.431 0.00681 0.2 0.5336 0.9068 3023877 ChemDiv3_003911 CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)/c(=O)n2C(=C(C#N)C1c4cccnc4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B18 compound treatment 0.421 -0.00142 -0.04 0.424 -1.88E-4 -0.01 -0.0355 -0.789 3119103 ChemDiv3_003912 COc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B19 compound treatment 0.572 0.15 4.7 0.469 0.0448 1.33 4.2647 0.8726 1408601 ChemDiv3_003913 COc1ccc(CCNc2ncnc3sc4CCCCc4c23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B20 compound treatment 0.383 -0.0394 -1.24 0.444 0.0198 0.59 -0.4613 -0.3364 3023878 ChemDiv3_003914 N=C1NC(=O)/C(=C\c2cc3ccccc3nc2N4CCCCC4)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B21 compound treatment 0.409 -0.0134 -0.42 0.421 -0.00319 -0.09 -0.3652 -0.8445 1543973 ChemDiv3_003915 COc1ccc2CNCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B22 compound treatment 0.402 -0.0204 -0.64 0.423 -0.00119 -0.04 -0.4789 -0.7447 3119104 ChemDiv3_003916 CC1CCN(CN2CC(COc3ccccc3C)OC2=O)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B23 mock treatment 0.416 -0.00642 -0.2 0.416 -0.00819 -0.24 -0.3143 -0.9958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 B24 mock treatment 0.444 0.0216 0.68 0.445 0.0208 0.62 0.9159 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C01 compound treatment 0.429 0.00658 0.21 0.425 8.12E-4 0.02 0.1633 0.7841 3119105 ChemDiv3_003917 COC(=O)C1=CN(C=C(C1c2ccsc2)C(=O)OC)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C02 compound treatment 0.42 -0.00242 -0.08 0.417 -0.00719 -0.21 -0.2044 -0.9038 3023910 ChemDiv3_003918 Cn1c(=O)n(C)c2cc(/C=C/3\C(=O)NC(=S)N(CC=C)C3=O)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C03 compound treatment 0.473 0.0506 1.59 0.48 0.0558 1.65 2.294 0.9998 3119106 ChemDiv3_003919 CSC1=N/C(=C\c2ccccc2C)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C04 compound treatment 0.411 -0.0114 -0.36 0.416 -0.00819 -0.24 -0.4254 -0.9818 3119107 ChemDiv3_003920 COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C05 compound treatment 0.458 0.0356 1.12 0.458 0.0338 1.0 1.4996 0.9985 3023911 ChemDiv3_003921 C=CCN1C(=O)/C(=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)/c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C06 compound treatment 0.434 0.0116 0.36 0.431 0.00681 0.2 0.4002 0.9613 1871099 ChemDiv3_003922 Cc1cccc(c1)N2C(=O)CC(Sc3nccc(C)n3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C07 compound treatment 0.523 0.101 3.16 0.542 0.118 3.49 4.7048 0.9988 3023912 ChemDiv3_003923 CSC1=N/C(=C\C=C\c2cccs2)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C08 compound treatment 0.408 -0.0144 -0.45 0.414 -0.0102 -0.3 -0.5341 -0.9805 1871152 ChemDiv3_003924 O=C(Cc1cccs1)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C09 compound treatment 0.47 0.0476 1.5 0.46 0.0358 1.06 1.8083 0.9858 3023913 ChemDiv3_003925 CCSC1=N/C(=C\c2ccc(C)s2)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C10 compound treatment 0.406 -0.0164 -0.52 0.41 -0.0142 -0.42 -0.6623 -0.9948 3119108 ChemDiv3_003926 CCCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C11 compound treatment 0.407 -0.0154 -0.48 0.405 -0.0192 -0.57 -0.7449 -0.9969 3023914 ChemDiv3_003927 N=c1[cH-][n+](CCc2ccccc2)no1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C12 compound treatment 0.426 0.00358 0.11 0.42 -0.00419 -0.12 -0.0081 -0.0485 1216628 ChemDiv3_003928 CCOc1cc(CN2CCN(CC2)C(=O)COc3ccc(C)cc3)ccc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C13 compound treatment 0.427 0.00458 0.14 0.409 -0.0152 -0.45 -0.2164 -0.4579 3023915 ChemDiv3_003929 COc1ccc(cc1)c2nnc(Nc3cccc(c3)C(F)(F)F)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C14 compound treatment 0.446 0.0236 0.74 0.437 0.0128 0.38 0.7927 0.9517 3119109 ChemDiv3_003930 COc1cccc(CNCCc2c[nH]c3ccccc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C15 compound treatment 0.28 -0.142 -4.48 0.242 -0.182 -5.4 -6.9839 -0.9957 1485768 ChemDiv3_003931 CCC(=O)NC(c1ccco1)c2cc(Cl)c3cccnc3c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C16 compound treatment 0.415 -0.00742 -0.23 0.415 -0.00919 -0.27 -0.3575 -0.997 1522564 ChemDiv3_003932 Cc1nc(NCCN2CCOCC2)c3sc4nc5CC(C)(C)OCc5cc4c3n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C17 compound treatment 0.414 -0.00842 -0.26 0.418 -0.00619 -0.18 -0.3168 -0.9839 3119239 ChemDiv3_003933 COc1ccc(cc1)C2CC(=NN2C(=O)CCN3CCOCC3)c4ccc(Br)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C18 compound treatment 0.434 0.0116 0.36 0.421 -0.00319 -0.09 0.1907 0.5069 1139781 ChemDiv3_003934 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C19 compound treatment 0.407 -0.0154 -0.48 0.413 -0.0112 -0.33 -0.5772 -0.9828 1505314 ChemDiv3_003935 O=S1(=O)CCC(C1)N2C(=S)SC3CS(=O)(=O)C=C32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C20 compound treatment 0.459 0.0366 1.15 0.401 -0.0232 -0.69 0.3275 0.2444 1867708 ChemDiv3_003936 COc1cc(COc2ccc3c4CCCc4c(=O)oc3c2)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C21 compound treatment 0.401 -0.0214 -0.67 0.415 -0.00919 -0.27 -0.6687 -0.9206 1172275 ChemDiv3_003937 CC1(CCS(=O)(=O)C1)NC(=S)Nc2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C22 compound treatment 0.392 -0.0304 -0.96 0.397 -0.0272 -0.81 -1.246 -0.9964 1132860 ChemDiv3_003938 CN(C)C(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C23 mock treatment 0.404 -0.0184 -0.58 0.409 -0.0152 -0.45 -0.7278 -0.9922 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 C24 mock treatment 0.437 0.0146 0.46 0.412 -0.0122 -0.36 0.0688 0.1179 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D01 compound treatment 0.436 0.0136 0.43 0.432 0.00781 0.23 0.4656 0.9586 3023916 ChemDiv3_003939 O=S1(=O)N=C(N(CCC#N)/N=C/c2ccccc2)c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D02 compound treatment 0.451 0.0286 0.9 0.443 0.0188 0.56 1.0296 0.9736 3119240 ChemDiv3_003940 COC(=O)C/1=C(C)NC(=O)\C1=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D03 compound treatment 0.459 0.0366 1.15 0.44 0.0158 0.47 1.1446 0.9216 3023917 ChemDiv3_003941 CCC(C)N1C(=O)S/C(=C/c2ccc3n(C)c(=O)n(C)c3c2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D04 compound treatment 0.402 -0.0204 -0.64 0.394 -0.0302 -0.89 -1.0865 -0.9868 3119241 ChemDiv3_003942 [O-][n+]1cc(c2ccc(F)cc2)[n+]([O-])c3CCCc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D05 compound treatment 0.405 -0.0174 -0.55 0.405 -0.0192 -0.57 -0.7893 -0.9998 3119242 ChemDiv3_003943 CCC(Sc1nnnn1c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D06 compound treatment 0.418 -0.00442 -0.14 0.393 -0.0312 -0.92 -0.7517 -0.8044 3023918 ChemDiv3_003944 CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D07 compound treatment 0.437 0.0146 0.46 0.443 0.0188 0.56 0.7184 0.9953 3119243 ChemDiv3_003945 COc1ccccc1CC(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D08 compound treatment 0.431 0.00858 0.27 0.424 -1.88E-4 -0.01 0.1869 0.6924 3023919 ChemDiv3_003946 OC(Cn1c2ccccc2c3ccccc13)C[n+]4cccc5cccc(O)c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D09 compound treatment 0.409 -0.0134 -0.42 0.413 -0.0112 -0.33 -0.5328 -0.9929 3119244 ChemDiv3_003947 Nc1nc(SCC(=O)NCc2ccco2)c(C#N)cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D10 compound treatment 0.418 -0.00442 -0.14 0.418 -0.00619 -0.18 -0.2279 -0.9907 3119245 ChemDiv3_003948 COc1ccccc1N(C(=O)NCc2ccccc2)C3=NCC(C)S3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D11 compound treatment 0.443 0.0206 0.65 0.42 -0.00419 -0.12 0.3698 0.5613 1494926 ChemDiv3_003949 Cc1ccc(cc1)c2nnc(n3cnc4cc(C)c(C)cc34)c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D12 compound treatment 0.457 0.0346 1.09 0.443 0.0188 0.56 1.163 0.9518 1647264 ChemDiv3_003950 CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c4CC(C)(C)OCc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D13 compound treatment 0.451 0.0286 0.9 0.446 0.0218 0.65 1.0925 0.9869 1516394 ChemDiv3_003951 Cc1nc(Oc2ccc(NC(=O)c3ccccc3)cc2)c4c5CCCc5sc4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D14 compound treatment 0.376 -0.0464 -1.46 0.377 -0.0472 -1.4 -2.0208 -0.9998 1736266 ChemDiv3_003952 CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(C)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D15 compound treatment 0.415 -0.00742 -0.23 0.41 -0.0142 -0.42 -0.4622 -0.9614 1623664 ChemDiv3_003953 C(N1CCc2ccccc2C1)n3cnc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D16 compound treatment 0.446 0.0236 0.74 0.427 0.00281 0.08 0.5832 0.7817 1684726 ChemDiv3_003954 COc1ccccc1NC(=O)COc2ccc3oc4CCCCc4c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D17 compound treatment 0.414 -0.00842 -0.26 0.413 -0.0112 -0.33 -0.4216 -0.9938 1574911 ChemDiv3_003955 NC1=C(C#N)C2(C(=O)N(CC=C)c3ccccc32)c4c(O1)c5ccccc5oc4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D18 compound treatment 0.402 -0.0204 -0.64 0.397 -0.0272 -0.81 -1.0237 -0.9937 1249386 ChemDiv3_003956 O=C1CC(Cc2ccccc2)C(=O)N1c3nccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D19 compound treatment 0.41 -0.0124 -0.39 0.399 -0.0252 -0.75 -0.8039 -0.9543 1153670 ChemDiv3_003957 Cc1sc2nc3c4ccccc4c(NCC5CCCO5)nn3c(=O)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D20 compound treatment 0.416 -0.00642 -0.2 0.41 -0.0142 -0.42 -0.44 -0.9435 3119246 ChemDiv3_003958 CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc4ccccc4)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D21 compound treatment 0.366 -0.0564 -1.77 0.37 -0.0542 -1.61 -2.3898 -0.9988 1736305 ChemDiv3_003959 CC(C)COc1ccc2c3CCCCc3c(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D22 compound treatment 0.408 -0.0144 -0.45 0.411 -0.0132 -0.39 -0.5969 -0.9973 3023957 ChemDiv3_003960 CC1CCN(CN2CC(Cn3c4ccccc4c5ccccc35)OC2=O)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D23 mock treatment 0.402 -0.0204 -0.64 0.392 -0.0322 -0.95 -1.1284 -0.9815 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 D24 mock treatment 0.426 0.00358 0.11 0.428 0.00381 0.11 0.1595 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E01 compound treatment 0.466 0.0436 1.37 0.476 0.0518 1.54 2.0546 0.9984 3119247 ChemDiv3_003961 COC(=O)CN1C=C(C(C(=C1)C(=O)OC)c2ccc(O)cc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E02 compound treatment 0.453 0.0306 0.96 0.463 0.0388 1.15 1.4932 0.996 3119248 ChemDiv3_003962 CCC(C)n1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E03 compound treatment 0.437 0.0146 0.46 0.424 -1.88E-4 -0.01 0.3203 0.6985 3023958 ChemDiv3_003963 O=C/1N=C(S\C1=C/c2cccs2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E04 compound treatment 0.414 -0.00842 -0.26 0.396 -0.0282 -0.84 -0.7778 -0.8877 3023959 ChemDiv3_003964 O=C(CSc1nnc(COc2ccccc2)o1)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E05 compound treatment 0.386 -0.0364 -1.15 0.378 -0.0462 -1.37 -1.7775 -0.9961 3119249 ChemDiv3_003965 CN/1C(=N)NC(=O)\C1=C\c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E06 compound treatment 0.428 0.00558 0.18 0.406 -0.0182 -0.54 -0.257 -0.4534 1871115 ChemDiv3_003966 CC(C)(CO)NC(=O)c1sc2ccccc2c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E07 compound treatment 0.423 5.81E-4 0.02 0.42 -0.00419 -0.12 -0.0748 -0.5966 3023960 ChemDiv3_003967 C(Sc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E08 compound treatment 0.443 0.0206 0.65 0.42 -0.00419 -0.12 0.3698 0.5613 3119250 ChemDiv3_003968 Cc1ccc(SCc2cc(O)nc(SCC(=O)n3c4ccccc4c5ccccc35)n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E09 compound treatment 0.454 0.0316 0.99 0.444 0.0198 0.59 1.1173 0.9685 3023961 ChemDiv3_003969 CCSC1=N/C(=C\c2cccc(F)c2)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E10 compound treatment 0.406 -0.0164 -0.52 0.404 -0.0202 -0.6 -0.788 -0.9973 1156555 ChemDiv3_003970 CC1CCN(CC1)C(=O)CNS(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E11 compound treatment 0.457 0.0346 1.09 0.451 0.0268 0.79 1.3307 0.9881 1664682 ChemDiv3_003971 Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(N)ccc(C2=O)c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E12 compound treatment 0.444 0.0216 0.68 0.439 0.0148 0.44 0.7902 0.9778 1473240 ChemDiv3_003972 O=C(N1CCN(Cc2cccnc2)CC1)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E13 compound treatment 0.443 0.0206 0.65 0.435 0.0108 0.32 0.6841 0.9474 3119251 ChemDiv3_003973 CNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc4OCOc4c3)c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E14 compound treatment 0.396 -0.0264 -0.83 0.402 -0.0222 -0.66 -1.0523 -0.9933 1668191 ChemDiv3_003974 CCOc1ccc(CN(CCc2ccc3OCOc3c2)Cc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E15 compound treatment 0.451 0.0286 0.9 0.434 0.00981 0.29 0.8411 0.8904 1243341 ChemDiv3_003975 COc1ccc2cc(C3CC(=NN3C(=O)c4ccco4)c5ccc(OC)c(OC)c5)c(Cl)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E16 compound treatment 0.473 0.0506 1.59 0.467 0.0428 1.27 2.0216 0.9937 3023962 ChemDiv3_003976 Fc1ccc(Nc2nc3ccccc3nc2Nc4ccc(F)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E17 compound treatment 0.43 0.00758 0.24 0.429 0.00481 0.14 0.2694 0.9698 1173393 ChemDiv3_003977 CC(C)N(C(=O)Cn1c2ccccc2c3nc4ccccc4nc13)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E18 compound treatment 0.407 -0.0154 -0.48 0.414 -0.0102 -0.3 -0.5563 -0.974 3023963 ChemDiv3_003978 OC(C#CCN1CCOCC1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E19 compound treatment 0.413 -0.00942 -0.3 0.401 -0.0232 -0.69 -0.6953 -0.9293 3119252 ChemDiv3_003979 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E20 compound treatment 0.334 -0.0884 -2.78 0.334 -0.0902 -2.67 -3.8556 -0.9998 1158512 ChemDiv3_003980 COc1ccc2c(c1)c(=O)oc3cc(OC(C)C)ccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E21 compound treatment 0.405 -0.0174 -0.55 0.407 -0.0172 -0.51 -0.7474 -0.9993 3119253 ChemDiv3_003981 CC12CS(=O)(=O)CC2SC(=S)N1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E22 compound treatment 0.422 -4.19E-4 -0.01 0.426 0.00181 0.05 0.0287 0.5181 1357925 ChemDiv3_003982 CN(C)C(=O)COc1cc(C)cc2oc(=O)c3CCCCc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E23 mock treatment 0.406 -0.0164 -0.52 0.401 -0.0232 -0.69 -0.8509 -0.9901 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 E24 mock treatment 0.429 0.00658 0.21 0.423 -0.00119 -0.04 0.1214 0.5786 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F01 compound treatment 0.421 -0.00142 -0.04 0.429 0.00481 0.14 0.0693 0.4636 3023964 ChemDiv3_003983 CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F02 compound treatment 0.41 -0.0124 -0.39 0.41 -0.0142 -0.42 -0.5734 -0.9993 3119382 ChemDiv3_003984 O=C(NC1=NCCS1)c2cc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F03 compound treatment 0.433 0.0106 0.33 0.423 -0.00119 -0.04 0.2104 0.6288 1627858 ChemDiv3_003985 CN(C)c1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F04 compound treatment 0.423 5.81E-4 0.02 0.408 -0.0162 -0.48 -0.3263 -0.6797 3119383 ChemDiv3_003986 CC1=[N+]([O-])C(C)(C)[N+](=C1c2ccc(C)cc2)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F05 compound treatment 0.456 0.0336 1.06 0.45 0.0258 0.76 1.2875 0.9875 3119384 ChemDiv3_003987 COC(=O)c1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F06 compound treatment 0.42 -0.00242 -0.08 0.401 -0.0232 -0.69 -0.5396 -0.7806 3023965 ChemDiv3_003988 CC(C)Cc1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F07 compound treatment 0.451 0.0286 0.9 0.437 0.0128 0.38 0.9039 0.9265 3119385 ChemDiv3_003989 Cc1ccccc1OCC(=O)Nc2cccc(c2)c3nnc(o3)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F08 compound treatment 0.434 0.0116 0.36 0.437 0.0128 0.38 0.5259 0.9998 3023966 ChemDiv3_003990 COC(=O)c1c(C)c(=O)[nH]c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F09 compound treatment 0.44 0.0176 0.55 0.425 8.12E-4 0.02 0.4079 0.7372 1509397 ChemDiv3_003991 Fc1ccc(cc1)C(=O)Nc2ncnc3sc4CCCCCc4c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F10 compound treatment 0.409 -0.0134 -0.42 0.41 -0.0142 -0.42 -0.5956 -1.0 3023967 ChemDiv3_003992 FC(F)(F)C1(N=C(OC(=N1)c2ccccc2)N3CCCCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F11 compound treatment 0.422 -4.19E-4 -0.01 0.411 -0.0132 -0.39 -0.2856 -0.7306 1229183 ChemDiv3_003993 Cc1sc2nc3c4ccccc4c(NCCO)nn3c(=O)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F12 compound treatment 0.438 0.0156 0.49 0.429 0.00481 0.14 0.4473 0.8766 1299234 ChemDiv3_003994 COC(=O)c1c(N)n(CCc2ccccc2)c3nc4ccccc4nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F13 compound treatment 0.43 0.00758 0.24 0.418 -0.00619 -0.18 0.0389 0.1294 1319064 ChemDiv3_003995 Cc1ccc(Oc2nnc(c3cccs3)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F14 compound treatment 0.544 0.122 3.82 0.565 0.141 4.17 5.6536 0.999 3119386 ChemDiv3_003996 Cc1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F15 compound treatment 0.383 -0.0394 -1.24 0.375 -0.0492 -1.46 -1.9071 -0.9967 3023968 ChemDiv3_003997 Cn1nc(CC(=O)Nc2nc(cs2)c3ccccc3)c4ccccc4c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F16 compound treatment 0.43 0.00758 0.24 0.419 -0.00519 -0.15 0.0599 0.211 3119387 ChemDiv3_003998 COc1ccc(/N=C/c2c(O)ccc3oc4CCCCc4c23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F17 compound treatment 0.418 -0.00442 -0.14 0.415 -0.00919 -0.27 -0.2908 -0.9513 1229320 ChemDiv3_003999 CCOC(=O)CN1C(=O)C2(C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C(=O)OCC)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F18 compound treatment 0.37 -0.0524 -1.65 0.373 -0.0512 -1.52 -2.238 -0.9991 1796400 ChemDiv3_004000 COc1ccc(CCn2cnc3sc4CCCCc4c3c2=N)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F19 compound treatment 0.421 -0.00142 -0.04 0.419 -0.00519 -0.15 -0.1402 -0.8762 1598055 ChemDiv3_004001 Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)n1Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F20 compound treatment 0.483 0.0606 1.9 0.474 0.0498 1.48 2.3906 0.9921 3024019 ChemDiv3_004002 CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F21 compound treatment 0.406 -0.0164 -0.52 0.408 -0.0162 -0.48 -0.7042 -0.9993 1409929 ChemDiv3_004003 Cn1nc(C(=O)O)c2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F22 compound treatment 0.392 -0.0304 -0.96 0.406 -0.0182 -0.54 -1.0574 -0.9632 1387840 ChemDiv3_004004 CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)nc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F23 mock treatment 0.403 -0.0194 -0.61 0.405 -0.0192 -0.57 -0.8338 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 F24 mock treatment 0.432 0.00958 0.3 0.439 0.0148 0.44 0.5234 0.9831 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G01 compound treatment 0.468 0.0456 1.43 0.477 0.0528 1.56 2.12 0.999 3119388 ChemDiv3_004005 COC(=O)C1=CN(C=C(C1c2ccccc2)C(=O)OC)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G02 compound treatment 0.454 0.0316 0.99 0.438 0.0138 0.41 0.9916 0.9232 3024021 ChemDiv3_004006 Cc1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c(C)n1c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G03 compound treatment 0.413 -0.00942 -0.3 0.398 -0.0262 -0.78 -0.7581 -0.9128 3119389 ChemDiv3_004007 c1ccc2sc(nc2c1)c3cccc(n3)c4nc5ccccc5s4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G04 compound treatment 0.419 -0.00342 -0.11 0.396 -0.0282 -0.84 -0.6666 -0.7916 3119390 ChemDiv3_004008 COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G05 compound treatment 0.434 0.0116 0.36 0.411 -0.0132 -0.39 -0.0188 -0.0353 3024022 ChemDiv3_004009 COc1ccc(/C=C/C=N/n2c(SC)nnc2c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G06 compound treatment 0.423 5.81E-4 0.02 0.397 -0.0272 -0.81 -0.5567 -0.6909 1871125 ChemDiv3_004010 Cc1c(C)c2ccccc2n1C(=O)CSc3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G07 compound treatment 0.453 0.0306 0.96 0.422 -0.00219 -0.06 0.6341 0.6579 1673764 ChemDiv3_004011 CC(=O)N1C(Oc2nc(SCC=C)nnc2-c3ccccc13)c4ccc(o4)c5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G08 compound treatment 0.431 0.00858 0.27 0.399 -0.0252 -0.75 -0.337 -0.4246 3119391 ChemDiv3_004012 COc1ccc(NC(=O)C2CC(=O)N=C(Nc3ccccc3)S2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G09 compound treatment 0.413 -0.00942 -0.3 0.406 -0.0182 -0.54 -0.5905 -0.9603 1613829 ChemDiv3_004013 CCSc1nnc(c(O)n1)c2ccccc2NC(=O)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G10 compound treatment 0.409 -0.0134 -0.42 0.397 -0.0272 -0.81 -0.868 -0.9545 1558726 ChemDiv3_004014 CC(C)(C)NC(=O)N1c2ccccc2Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G11 compound treatment 0.412 -0.0104 -0.33 0.412 -0.0122 -0.36 -0.487 -0.9988 3119392 ChemDiv3_004015 Cc1nn(C)c(C)c1NC(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G12 compound treatment 0.442 0.0196 0.62 0.43 0.00581 0.17 0.5571 0.8715 1465103 ChemDiv3_004016 CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G13 compound treatment 0.463 0.0406 1.28 0.437 0.0128 0.38 1.1707 0.8794 3119393 ChemDiv3_004017 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc(F)cc3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G14 compound treatment 0.502 0.0796 2.5 0.456 0.0318 0.94 2.4359 0.911 1303056 ChemDiv3_004018 CC(C)(C)NC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G15 compound treatment 0.425 0.00258 0.08 0.413 -0.0112 -0.33 -0.177 -0.5187 1692964 ChemDiv3_004019 CCC(=O)N1N=C(CC1c2cc3cc(OC)ccc3nc2Cl)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G16 compound treatment 0.411 -0.0114 -0.36 0.408 -0.0162 -0.48 -0.5931 -0.9898 1699942 ChemDiv3_004020 Brc1ccc(cc1)C2NC(=O)c3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G17 compound treatment 0.411 -0.0114 -0.36 0.398 -0.0262 -0.78 -0.8026 -0.9387 3024023 ChemDiv3_004021 CC(=O)OC1CCS(=O)(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G18 compound treatment 0.423 5.81E-4 0.02 0.419 -0.00519 -0.15 -0.0958 -0.6188 3119394 ChemDiv3_004022 CCCc1n[nH]c2OC(=C(C#N)C(CCc3ccccc3)c12)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G19 compound treatment 0.412 -0.0104 -0.33 0.416 -0.00819 -0.24 -0.4032 -0.9891 3024024 ChemDiv3_004023 CC1(CCS(=O)(=O)C1)NC(=S)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G20 compound treatment 0.418 -0.00442 -0.14 0.43 0.00581 0.17 0.0235 0.1063 1713974 ChemDiv3_004024 Oc1cc(OCC(=O)c2ccccc2)cc3oc(cc(=O)c13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G21 compound treatment 0.41 -0.0124 -0.39 0.412 -0.0122 -0.36 -0.5315 -0.9992 1338699 ChemDiv3_004025 CCCCN(C1CCS(=O)(=O)C1)C(=O)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G22 compound treatment 0.4 -0.0224 -0.7 0.398 -0.0262 -0.78 -1.0472 -0.9989 1306939 ChemDiv3_004026 Cc1c(OC(=O)c2ccco2)ccc3c4CCCc4c(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G23 mock treatment 0.406 -0.0164 -0.52 0.409 -0.0152 -0.45 -0.6833 -0.9977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 G24 mock treatment 0.412 -0.0104 -0.33 0.42 -0.00419 -0.12 -0.3194 -0.9117 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H01 compound treatment 0.502 0.0796 2.5 0.469 0.0448 1.33 2.7083 0.9561 3119395 ChemDiv3_004027 CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H02 compound treatment 0.419 -0.00342 -0.11 0.421 -0.00319 -0.09 -0.1428 -0.9979 3024025 ChemDiv3_004028 Cc1c(c2ccco2)[n+]([O-])c(c(C)[n+]1[O-])c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H03 compound treatment 0.453 0.0306 0.96 0.452 0.0278 0.82 1.2627 0.9971 3119396 ChemDiv3_004029 C/C(=N\O)/CCc1oc2ccccc2c1c3ccc(C)o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H04 compound treatment 0.406 -0.0164 -0.52 0.395 -0.0292 -0.86 -0.9766 -0.9696 3024026 ChemDiv3_004030 CC1N(O)C(C)(C)[N+](=C1c2ccccc2)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H05 compound treatment 0.412 -0.0104 -0.33 0.4 -0.0242 -0.72 -0.7385 -0.9371 3024027 ChemDiv3_004031 CC(=O)N/C(=C\c1cccs1)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H06 compound treatment 0.418 -0.00442 -0.14 0.411 -0.0132 -0.39 -0.3746 -0.9032 3119397 ChemDiv3_004032 CCSc1nc(O)c(C(C)CC)c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H07 compound treatment 0.402 -0.0204 -0.64 0.407 -0.0172 -0.51 -0.8141 -0.9934 1130593 ChemDiv3_004033 O=C(Cc1ccccc1)Nc2cccc(c2)S(=O)(=O)c3cccc(NC(=O)Cc4ccccc4)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H08 compound treatment 0.608 0.186 5.84 0.428 0.00381 0.11 4.2061 0.7207 3024028 ChemDiv3_004034 CCOC(=O)c1nn(c(C#N)c1NC(=O)c2nn(CC)cc2Br)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H09 compound treatment 0.46 0.0376 1.18 0.473 0.0488 1.45 1.8583 0.995 1423488 ChemDiv3_004035 COc1cc2c(cc1NP(=O)(C)Oc3ccccc3)oc4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H10 compound treatment 0.437 0.0146 0.46 0.422 -0.00219 -0.06 0.2784 0.6012 3024029 ChemDiv3_004036 COc1ccc(Cl)cc1NC2=NCC(C)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H11 compound treatment 0.444 0.0216 0.68 0.418 -0.00619 -0.18 0.3502 0.4982 1247540 ChemDiv3_004037 CC1CCN(CC1)c2nn3c(=O)c4c(C)c(C)sc4nc3c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H12 compound treatment 0.443 0.0206 0.65 0.435 0.0108 0.32 0.6841 0.9474 1685422 ChemDiv3_004038 CCOC(=O)c1c(N)n(C2CCCCC2)c3nc4ccccc4nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H13 compound treatment 0.51 0.0876 2.75 0.451 0.0268 0.79 2.5091 0.8754 1241398 ChemDiv3_004039 C1CCCN(CC1)c2nnc(c3cccs3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H14 compound treatment 0.496 0.0736 2.31 0.49 0.0658 1.95 3.0149 0.9964 3119548 ChemDiv3_004040 CCc1ccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H15 compound treatment 0.417 -0.00542 -0.17 0.419 -0.00519 -0.15 -0.2292 -0.9987 3024030 ChemDiv3_004041 O=C(Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H16 compound treatment 0.432 0.00958 0.3 0.432 0.00781 0.23 0.3767 0.9915 3119549 ChemDiv3_004042 Oc1ccc2oc3CCCCc3c2c1/C=N/N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H17 compound treatment 0.426 0.00358 0.11 0.41 -0.0142 -0.42 -0.2177 -0.5001 1705908 ChemDiv3_004043 CCOC(=O)CN1C(=O)C2(C(=C(N)Oc3[nH]nc(C)c32)C#N)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H18 compound treatment 0.448 0.0256 0.8 0.455 0.0308 0.91 1.2144 0.998 3024031 ChemDiv3_004044 COc1ccc(CCn2cnc3oc(c(c4ccccc4)c3c2=N)c5ccccc5)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H19 compound treatment 0.412 -0.0104 -0.33 0.415 -0.00919 -0.27 -0.4242 -0.9958 3119550 ChemDiv3_004045 Cc1nc(SC2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)c4c5CCCCc5sc4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H20 compound treatment 0.424 0.00158 0.05 0.409 -0.0152 -0.45 -0.2831 -0.6252 3442340 ChemDiv3_004046 CC(C)CC(Nc1ncnc2sc3CCCc3c12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H21 compound treatment 0.402 -0.0204 -0.64 0.396 -0.0282 -0.84 -1.0446 -0.9916 3024084 ChemDiv3_004047 COC(=O)/C=c/1\sc2ncnn2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H22 compound treatment 0.41 -0.0124 -0.39 0.404 -0.0202 -0.6 -0.6991 -0.9786 1470170 ChemDiv3_004048 Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H23 mock treatment 0.415 -0.00742 -0.23 0.397 -0.0272 -0.81 -0.7346 -0.8759 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 H24 mock treatment 0.425 0.00258 0.08 0.426 0.00181 0.05 0.0954 0.9799 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I01 compound treatment 0.447 0.0246 0.77 0.433 0.00881 0.26 0.7312 0.8962 3024085 ChemDiv3_004049 Cc1[n+](CC=C)n(C)c2cc(Cl)c(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I02 compound treatment 0.438 0.0156 0.49 0.418 -0.00619 -0.18 0.2168 0.4144 3119551 ChemDiv3_004050 COCCn1c(C)cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I03 compound treatment 0.395 -0.0274 -0.86 0.41 -0.0142 -0.42 -0.9069 -0.9455 1185967 ChemDiv3_004051 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I04 compound treatment 0.433 0.0106 0.33 0.43 0.00581 0.17 0.357 0.953 3119552 ChemDiv3_004052 COc1ccc(Cl)c(NC2=NC(=O)/C(=C\c3cccnc3)/S2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I05 compound treatment 0.421 -0.00142 -0.04 0.422 -0.00219 -0.06 -0.0774 -0.9834 1528287 ChemDiv3_004053 CSc1nnc-2c(OC(C)N(C(=O)C)c3ccccc32)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I06 compound treatment 0.355 -0.0674 -2.12 0.378 -0.0462 -1.37 -2.4667 -0.9776 1788578 ChemDiv3_004054 O=C(CSc1nnc(o1)c2ccccc2)N3c4ccccc4CCc5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I07 compound treatment 0.419 -0.00342 -0.11 0.433 0.00881 0.26 0.1086 0.3846 3024086 ChemDiv3_004055 COC(=O)C1=C(C)NC(=S)NC1c2cc3OCOc3cc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I08 compound treatment 0.439 0.0166 0.52 0.435 0.0108 0.32 0.5952 0.9727 3119553 ChemDiv3_004056 FC(F)(F)c1cccc(c1)n2c(=O)oc3ccc(Cl)cc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I09 compound treatment 0.506 0.0836 2.63 0.492 0.0678 2.01 3.2792 0.9912 3119554 ChemDiv3_004057 CCc1ccc2NC(=O)/C(=C/3\S\C(=N/c4cccc(Cl)c4C)\NC3=O)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I10 compound treatment 0.432 0.00958 0.3 0.411 -0.0132 -0.39 -0.0633 -0.1283 1437793 ChemDiv3_004058 O=C(NCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I11 compound treatment 0.448 0.0256 0.8 0.438 0.0138 0.41 0.8582 0.9509 3119555 ChemDiv3_004059 COC(=O)c1cc2c(C)nn(c3ccccc3)c2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I12 compound treatment 0.448 0.0256 0.8 0.439 0.0148 0.44 0.8791 0.9594 1679546 ChemDiv3_004060 CCc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I13 compound treatment 0.431 0.00858 0.27 0.425 8.12E-4 0.02 0.2078 0.7672 3119556 ChemDiv3_004061 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(OC)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I14 compound treatment 0.472 0.0496 1.56 0.479 0.0548 1.62 2.2508 0.9998 3024087 ChemDiv3_004062 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I15 compound treatment 0.433 0.0106 0.33 0.418 -0.00619 -0.18 0.1056 0.278 1737307 ChemDiv3_004063 O=C(N1N=C(CC1c2ccc3nccnc3c2)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I16 compound treatment 0.428 0.00558 0.18 0.428 0.00381 0.11 0.204 0.9773 3024088 ChemDiv3_004064 NC(=N)SCC1CN=C(S1)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I17 compound treatment 0.425 0.00258 0.08 0.415 -0.00919 -0.27 -0.1351 -0.4757 1449842 ChemDiv3_004065 CNC(=S)NC1CCS(=O)(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I18 compound treatment 0.408 -0.0144 -0.45 0.407 -0.0172 -0.51 -0.6807 -0.9983 3119557 ChemDiv3_004066 CCCOc1ccc(cc1OCC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I19 compound treatment 0.402 -0.0204 -0.64 0.401 -0.0232 -0.69 -0.9398 -0.9994 3024089 ChemDiv3_004067 CCCC(NC1CCS(=O)(=O)C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I20 compound treatment 0.413 -0.00942 -0.3 0.412 -0.0122 -0.36 -0.4648 -0.9952 1874878 ChemDiv3_004068 COc1ccc2c(c1)c(=O)oc3c(C)c(OC(C(=O)O)c4ccccc4)ccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I21 compound treatment 0.42 -0.00242 -0.08 0.422 -0.00219 -0.06 -0.0996 -0.9968 1557945 ChemDiv3_004069 CCc1ccccc1NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccccc3CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I22 compound treatment 0.431 0.00858 0.27 0.426 0.00181 0.05 0.2288 0.8315 3024090 ChemDiv3_004070 Cc1cc(OC(=O)c2cccs2)c3c4CCCc4c(=O)oc3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I23 mock treatment 0.405 -0.0174 -0.55 0.403 -0.0212 -0.63 -0.8312 -0.9977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 I24 mock treatment 0.432 0.00958 0.3 0.424 -1.88E-4 -0.01 0.2091 0.6939 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J01 compound treatment 0.495 0.0726 2.28 0.514 0.0898 2.66 3.4956 0.9971 3024091 ChemDiv3_004071 CC(C)N1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccncc3)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J02 compound treatment 0.401 -0.0214 -0.67 0.425 8.12E-4 0.02 -0.4592 -0.6814 3119558 ChemDiv3_004072 CC(=O)OC1CCC(OC(=O)C)c2c1[n+]([O-])c(C)c(C)[n+]2[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J03 compound treatment 0.481 0.0586 1.84 0.481 0.0568 1.68 2.4929 0.999 3024092 ChemDiv3_004073 S=c1cc(oc(c1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J04 compound treatment 0.425 0.00258 0.08 0.407 -0.0172 -0.51 -0.3027 -0.587 3119559 ChemDiv3_004074 Cc1c(c2ccccc2)[n+]([O-])c(c(C)[n+]1[O-])c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J05 compound treatment 0.442 0.0196 0.62 0.437 0.0128 0.38 0.7038 0.973 1128591 ChemDiv3_004075 COc1ccc(CC(=O)Nc2cccc(c2)c3nc4cc5ccccc5cc4[nH]3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J06 compound treatment 0.446 0.0236 0.74 0.426 0.00181 0.05 0.5623 0.7563 1255030 ChemDiv3_004076 COc1ccc(cc1OC)C2C(c3cc(OC)c(OC)cc3C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J07 compound treatment 0.425 0.00258 0.08 0.416 -0.00819 -0.24 -0.1142 -0.4463 3119560 ChemDiv3_004077 O=C(Nc1cccc(c1)c2nc3ccccc3c(=O)o2)C4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J08 compound treatment 0.437 0.0146 0.46 0.429 0.00481 0.14 0.425 0.8852 3024093 ChemDiv3_004078 CCOC(=O)c1nn(c(C(=O)OCC)c1NC(=O)C2CCCCC2)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J09 compound treatment 0.428 0.00558 0.18 0.418 -0.00619 -0.18 -0.0056 -0.0219 1215988 ChemDiv3_004079 OC(=O)c1c2CC(CCc2nc3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J10 compound treatment 0.451 0.0286 0.9 0.432 0.00781 0.23 0.7992 0.8611 3119561 ChemDiv3_004080 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J11 compound treatment 0.434 0.0116 0.36 0.408 -0.0162 -0.48 -0.0817 -0.1356 1549011 ChemDiv3_004081 Cc1ccc(cc1)c2nn3c(=O)c4ccccc4nc3c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J12 compound treatment 0.469 0.0466 1.46 0.449 0.0248 0.74 1.5556 0.9492 1317257 ChemDiv3_004082 CCc1ccc(cc1)n2c(N)c(C(=O)OC)c3nc4ccccc4nc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J13 compound treatment 0.445 0.0226 0.71 0.427 0.00281 0.08 0.561 0.7847 3024094 ChemDiv3_004083 O=C(CSc1ncnc2sc(cc12)c3ccccc3)c4ccc5OCCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J14 compound treatment 0.486 0.0636 2.0 0.477 0.0528 1.56 2.5202 0.9927 3119562 ChemDiv3_004084 FC(F)(F)c1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J15 compound treatment 0.451 0.0286 0.9 0.429 0.00481 0.14 0.7363 0.8092 1305983 ChemDiv3_004085 CCCN1CC=C2C(C1)C3(C(=O)Nc4ccccc43)C(C#N)(C#N)C(=C2C#N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J16 compound treatment 0.439 0.0166 0.52 0.424 -1.88E-4 -0.01 0.3647 0.6995 1458619 ChemDiv3_004086 CC(C)(C)c1nc2scc(c3ccccc3)c2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J17 compound treatment 0.438 0.0156 0.49 0.431 0.00681 0.2 0.4892 0.9232 1274153 ChemDiv3_004087 CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C41C(=O)N(CC(=O)OC)c5ccccc54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J18 compound treatment 0.472 0.0496 1.56 0.469 0.0448 1.33 2.0413 0.9968 1393431 ChemDiv3_004088 CCn1c(=O)c2c(-c3ccccc3CC42CCCCC4)n5c(SCC(=O)N)nnc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J19 compound treatment 0.462 0.0396 1.24 0.459 0.0348 1.03 1.6094 0.9956 3119696 ChemDiv3_004089 CCN(CC)C(=O)O[n+]1cccc(CC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J20 compound treatment 0.472 0.0496 1.56 0.461 0.0368 1.09 1.8737 0.9847 3119697 ChemDiv3_004090 C=CCN1C(=C(OC(=O)c2ccccc2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J21 compound treatment 0.418 -0.00442 -0.14 0.405 -0.0192 -0.57 -0.5003 -0.8548 1423420 ChemDiv3_004091 Cc1cc(C)n(n1)c2nnc(C)n2NC(=S)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J22 compound treatment 0.435 0.0126 0.4 0.429 0.00481 0.14 0.3806 0.905 3119698 ChemDiv3_004092 COC(=O)/C=C/1\N(C(=NC1=O)Nc2nc(C)cc(C)n2)c3cccc(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J23 mock treatment 0.418 -0.00442 -0.14 0.42 -0.00419 -0.12 -0.186 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 J24 mock treatment 0.449 0.0266 0.84 0.441 0.0168 0.5 0.9433 0.9694 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K01 compound treatment 0.428 0.00558 0.18 0.451 0.0268 0.79 0.6859 0.843 3023297 ChemDiv3_004093 Oc1cc(C2C(=O)c3ccccc3C2=O)c4ccc5ccccc5c4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K02 compound treatment 0.425 0.00258 0.08 0.416 -0.00819 -0.24 -0.1142 -0.4463 3119699 ChemDiv3_004094 COCCn1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K03 compound treatment 0.429 0.00658 0.21 0.412 -0.0122 -0.36 -0.109 -0.262 1169810 ChemDiv3_004095 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K04 compound treatment 0.679 0.257 8.07 0.598 0.174 5.15 9.3466 0.9765 3119700 ChemDiv3_004096 OC(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=NC3=O)Nc4cccc(c4)C(=O)O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K05 compound treatment 0.428 0.00558 0.18 0.414 -0.0102 -0.3 -0.0894 -0.256 3119701 ChemDiv3_004097 CC/1=NN(C(=O)\C1=C/Nc2cc(C)ccn2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K06 compound treatment 0.427 0.00458 0.14 0.404 -0.0202 -0.6 -0.3211 -0.5219 1871177 ChemDiv3_004098 COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K07 compound treatment 0.446 0.0236 0.74 0.435 0.0108 0.32 0.7508 0.9296 3119702 ChemDiv3_004099 CN/1C(=N)NC(=O)\C1=C\c2ccc(C)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K08 compound treatment 0.421 -0.00142 -0.04 0.412 -0.0122 -0.36 -0.2869 -0.7885 3023298 ChemDiv3_004100 COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K09 compound treatment 0.455 0.0326 1.02 0.439 0.0148 0.44 1.0348 0.9284 3119703 ChemDiv3_004101 CCOc1cc(/C=C/2\C(=O)Nc3ccc(Br)cc23)ccc1OCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K10 compound treatment 0.411 -0.0114 -0.36 0.405 -0.0192 -0.57 -0.6559 -0.9754 1400389 ChemDiv3_004102 CCOC(=O)C1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K11 compound treatment 0.43 0.00758 0.24 0.423 -0.00119 -0.04 0.1437 0.5963 1679244 ChemDiv3_004103 Cc1ccc(Nc2nc(C)cc(C)c2C(=O)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K12 compound treatment 0.428 0.00558 0.18 0.424 -1.88E-4 -0.01 0.1202 0.6844 1721188 ChemDiv3_004104 CCCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K13 compound treatment 0.44 0.0176 0.55 0.441 0.0168 0.5 0.7432 0.9987 1612458 ChemDiv3_004105 CCn1c2ccccc2c3cc(NS(=O)(=O)c4ccccc4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K14 compound treatment 0.479 0.0566 1.78 0.446 0.0218 0.65 1.715 0.9061 1300482 ChemDiv3_004106 CN1C(=C(N2CCOCC2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K15 compound treatment 0.402 -0.0204 -0.64 0.385 -0.0392 -1.16 -1.2751 -0.961 3023329 ChemDiv3_004107 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3OC)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K16 compound treatment 0.426 0.00358 0.11 0.413 -0.0112 -0.33 -0.1548 -0.4421 3119704 ChemDiv3_004108 NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K17 compound treatment 0.426 0.00358 0.11 0.422 -0.00219 -0.06 0.0338 0.26 1697884 ChemDiv3_004109 CCOC(=O)NC1CS(=O)(=O)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K18 compound treatment 0.477 0.0546 1.72 0.463 0.0388 1.15 2.0268 0.981 3119705 ChemDiv3_004110 CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4ccc(OC)cc4)C(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K19 compound treatment 0.424 0.00158 0.05 0.411 -0.0132 -0.39 -0.2412 -0.6122 1179086 ChemDiv3_004111 O=S1(=O)CCC(C1)NC(=S)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K20 compound treatment 0.395 -0.0274 -0.86 0.382 -0.0422 -1.25 -1.4936 -0.9836 3119706 ChemDiv3_004112 CCCN1Cc2cccc(C(=O)N)c2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K21 compound treatment 0.463 0.0406 1.28 0.442 0.0178 0.53 1.2755 0.9237 1541504 ChemDiv3_004113 CC(C)NC(=S)SC1CS(=O)(=O)C=C1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K22 compound treatment 0.434 0.0116 0.36 0.435 0.0108 0.32 0.484 0.998 1280043 ChemDiv3_004114 Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K23 mock treatment 0.418 -0.00442 -0.14 0.409 -0.0152 -0.45 -0.4165 -0.8843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 K24 mock treatment 0.422 -4.19E-4 -0.01 0.426 0.00181 0.05 0.0287 0.5181 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L01 compound treatment 0.435 0.0126 0.4 0.44 0.0158 0.47 0.611 0.9965 3119707 ChemDiv3_004115 COCCN1C(=O)N(C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)/C1=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L02 compound treatment 0.43 0.00758 0.24 0.436 0.0118 0.35 0.4161 0.9825 3023337 ChemDiv3_004116 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(C)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L03 compound treatment 0.45 0.0276 0.87 0.445 0.0208 0.62 1.0493 0.986 3119708 ChemDiv3_004117 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L04 compound treatment 0.416 -0.00642 -0.2 0.391 -0.0332 -0.98 -0.8381 -0.8348 3023341 ChemDiv3_004118 [O-][n+]1cc(c2ccccc2)[n+]([O-])c3CCCCc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L05 compound treatment 0.425 0.00258 0.08 0.402 -0.0222 -0.66 -0.4075 -0.6152 3023342 ChemDiv3_004119 CC(C)C(=O)Nc1cccc(c1)c2nc3ccccc3c(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L06 compound treatment 0.529 0.107 3.35 0.512 0.0878 2.6 4.2096 0.9922 3119709 ChemDiv3_004120 CCc1ccc(OCCCn2cc(/C=C\3/C(=N)N4C=CSC4=NC3=O)c5ccccc25)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L07 compound treatment 0.436 0.0136 0.43 0.422 -0.00219 -0.06 0.2561 0.593 3023344 ChemDiv3_004121 CCSc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L08 compound treatment 0.42 -0.00242 -0.08 0.419 -0.00519 -0.15 -0.1625 -0.9474 1713113 ChemDiv3_004122 O=S1(=O)C=C(SCCN2CCOCC2)c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L09 compound treatment 0.437 0.0146 0.46 0.441 0.0168 0.5 0.6765 0.9991 3023346 ChemDiv3_004123 CN(C)c1oc(nc1C#N)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L10 compound treatment 0.389 -0.0334 -1.05 0.388 -0.0362 -1.07 -1.5013 -0.9999 3119710 ChemDiv3_004124 CCC1(COC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)COC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L11 compound treatment 0.462 0.0396 1.24 0.455 0.0308 0.91 1.5256 0.9884 1380020 ChemDiv3_004125 CCC1CCc2c(C1)sc3ncnc(N4CCOCC4)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L12 compound treatment 0.376 -0.0464 -1.46 0.379 -0.0452 -1.34 -1.9789 -0.9991 1709855 ChemDiv3_004126 CCOc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L13 compound treatment 0.426 0.00358 0.11 0.423 -0.00119 -0.04 0.0547 0.464 1688543 ChemDiv3_004127 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N2CCN(CC2)c3ncnc4sc5CCCCc5c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L14 compound treatment 0.429 0.00658 0.21 0.418 -0.00619 -0.18 0.0167 0.0603 1554741 ChemDiv3_004128 COc1ccc2n(CCc3ccc(OC)c(OC)c3)c(C)c(C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L15 compound treatment 0.436 0.0136 0.43 0.441 0.0168 0.5 0.6542 0.9971 1579821 ChemDiv3_004129 COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L16 compound treatment 0.439 0.0166 0.52 0.44 0.0158 0.47 0.7 0.9986 3119711 ChemDiv3_004130 O/N=C/c1c(O)c(Br)cc2oc3CCCCc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L17 compound treatment 0.42 -0.00242 -0.08 0.408 -0.0162 -0.48 -0.393 -0.8091 1421908 ChemDiv3_004131 O=c1n(CN2CCCCC2)nnc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L18 compound treatment 0.416 -0.00642 -0.2 0.405 -0.0192 -0.57 -0.5448 -0.9029 1535030 ChemDiv3_004132 COc1ccc(cc1)C(=O)n2nc3CC(C)(C)OCc3c2c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L19 compound treatment 0.405 -0.0174 -0.55 0.387 -0.0372 -1.1 -1.1665 -0.9479 3119712 ChemDiv3_004133 Cc1ccc(cc1)S(=O)(=O)N/2C(=O)C(C)(C)S\C2=N/CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L20 compound treatment 0.43 0.00758 0.24 0.426 0.00181 0.05 0.2065 0.8452 1346941 ChemDiv3_004134 CN1CCN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L21 compound treatment 0.395 -0.0274 -0.86 0.388 -0.0362 -1.07 -1.3679 -0.9942 3119713 ChemDiv3_004135 Cc1nnc(SCc2cccc(c2)C(=O)c3ccccc3)nc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L22 compound treatment 0.406 -0.0164 -0.52 0.412 -0.0122 -0.36 -0.6204 -0.9847 3119714 ChemDiv3_004136 CC1CCN(CC1)/C(=N\S(=O)(=O)c2ccc(Br)cc2)/Nc3nc(C)cc(C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L23 mock treatment 0.411 -0.0114 -0.36 0.408 -0.0162 -0.48 -0.5931 -0.9898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 L24 mock treatment 0.419 -0.00342 -0.11 0.434 0.00981 0.29 0.1296 0.418 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M01 compound treatment 0.531 0.109 3.41 0.533 0.109 3.22 4.6941 0.9996 3119869 ChemDiv3_004137 CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c4ccccc24)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M02 compound treatment 0.442 0.0196 0.62 0.432 0.00781 0.23 0.599 0.9107 3023448 ChemDiv3_004138 CN1C(=O)C(=Cc2cn(CC=C)c3ccccc23)C(=O)N(C)C1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M03 compound treatment 0.433 0.0106 0.33 0.427 0.00281 0.08 0.2942 0.8577 3023450 ChemDiv3_004139 CCc1cccc2c1NC(=O)C32OCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M04 compound treatment 0.499 0.0766 2.41 0.474 0.0498 1.48 2.7464 0.9724 1912757 ChemDiv3_004140 Cc1cc2/C(=C/c3ccco3)/OC(=O)c2c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M05 compound treatment 0.551 0.129 4.04 0.588 0.164 4.85 6.2912 0.9959 3119870 ChemDiv3_004141 CCSC1=N/C(=C\c2ccc(cc2)C(=O)O)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M06 compound treatment 0.419 -0.00342 -0.11 0.419 -0.00519 -0.15 -0.1847 -0.9847 3023453 ChemDiv3_004142 O=C(COc1ccccc1)N2CCN=C2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M07 compound treatment 0.457 0.0346 1.09 0.437 0.0128 0.38 1.0373 0.9007 1181595 ChemDiv3_004143 CCC(=O)N1C(Oc2nc(SC)nnc2-c3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M08 compound treatment 0.441 0.0186 0.58 0.434 0.00981 0.29 0.6187 0.9481 1618375 ChemDiv3_004144 S=C1NC(C2=C(N1)c3ccccc3CC2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M09 compound treatment 0.468 0.0456 1.43 0.463 0.0388 1.15 1.8267 0.994 3023457 ChemDiv3_004145 CCCCN1C(=O)/C(=C/2\S/C(=N\c3ccc(Cl)cc3)/N(C)C2=O)/c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M10 compound treatment 0.433 0.0106 0.33 0.443 0.0188 0.56 0.6294 0.9696 3119871 ChemDiv3_004146 O=C(NCCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M11 compound treatment 0.432 0.00958 0.3 0.451 0.0268 0.79 0.7748 0.9119 1406185 ChemDiv3_004147 Cc1cc(C)c2c(N=NN3CCCCCC3)n[nH]c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M12 compound treatment 0.433 0.0106 0.33 0.391 -0.0332 -0.98 -0.4601 -0.4432 3119872 ChemDiv3_004148 Cc1cc(Br)ccc1NCc2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M13 compound treatment 0.437 0.0146 0.46 0.414 -0.0102 -0.3 0.1107 0.2017 1438334 ChemDiv3_004149 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCCc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M14 compound treatment 0.516 0.0936 2.94 0.44 0.0158 0.47 2.412 0.8095 3023462 ChemDiv3_004150 CN1C(=C(Nc2ccccc2C)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M15 compound treatment 0.461 0.0386 1.21 0.455 0.0308 0.91 1.5034 0.9902 1567678 ChemDiv3_004151 COc1ccc(cc1)C2=NN(C(C2)c3ccc(C)cc3)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M16 compound treatment 0.429 0.00658 0.21 0.418 -0.00619 -0.18 0.0167 0.0603 3023506 ChemDiv3_004152 OC(=O)CP(=S)(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M17 compound treatment 0.477 0.0546 1.72 0.48 0.0558 1.65 2.383 0.9998 1339249 ChemDiv3_004153 CCSC(=S)NC1CCS(=O)(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M18 compound treatment 0.503 0.0806 2.53 0.504 0.0798 2.36 3.4639 0.9994 3119873 ChemDiv3_004154 CCN1C2=C(C(C3=C1CCCC3=O)c4cccc(O)c4)C(=O)CCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M19 compound treatment 0.427 0.00458 0.14 0.417 -0.00719 -0.21 -0.0488 -0.1896 1468946 ChemDiv3_004155 CN(C1CCS(=O)(=O)C1)C(=S)SC2CS(=O)(=O)C=C2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M20 compound treatment 0.427 0.00458 0.14 0.424 -1.88E-4 -0.01 0.0979 0.6793 1541732 ChemDiv3_004156 COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2C)c4ccccc4)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M21 compound treatment 0.412 -0.0104 -0.33 0.41 -0.0142 -0.42 -0.5289 -0.9924 1306134 ChemDiv3_004157 CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M22 compound treatment 0.426 0.00358 0.11 0.422 -0.00219 -0.06 0.0338 0.26 3119874 ChemDiv3_004158 CC1CN(CC(C)O1)C2=NC(=O)/C(=C/c3ccccc3)/S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M23 mock treatment 0.431 0.00858 0.27 0.432 0.00781 0.23 0.3545 0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 M24 mock treatment 0.421 -0.00142 -0.04 0.44 0.0158 0.47 0.2998 0.6369 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N01 compound treatment 0.508 0.0856 2.69 0.516 0.0918 2.72 3.8265 1.0 3023511 ChemDiv3_004159 O=C1S/C(=C\c2ccc(o2)N3CCOCC3)/C(=O)N1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N02 compound treatment 0.421 -0.00142 -0.04 0.424 -1.88E-4 -0.01 -0.0355 -0.789 3119875 ChemDiv3_004160 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N03 compound treatment 0.414 -0.00842 -0.26 0.426 0.00181 0.05 -0.1492 -0.5524 3023512 ChemDiv3_004161 C1CCC2=C(C1)SC3=C(CCCC3)C2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N04 compound treatment 0.436 0.0136 0.43 0.424 -1.88E-4 -0.01 0.298 0.6978 1863423 ChemDiv3_004162 CSc1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N05 compound treatment 0.449 0.0266 0.84 0.445 0.0208 0.62 1.0271 0.9888 3023514 ChemDiv3_004163 O=C(ON1C(=O)c2ccccc2C1=O)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N06 compound treatment 0.442 0.0196 0.62 0.424 -1.88E-4 -0.01 0.4314 0.7007 1713635 ChemDiv3_004164 COC(=O)C1=C(C)Nc2c(C1c3cccc(OCc4ccccc4)c3)c(=O)n(C)c(=O)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N07 compound treatment 0.417 -0.00542 -0.17 0.414 -0.0102 -0.3 -0.3339 -0.9634 3023519 ChemDiv3_004165 CCCCS(=O)(=O)N=C1NCN(CCO)CN1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N08 compound treatment 0.416 -0.00642 -0.2 0.404 -0.0202 -0.6 -0.5657 -0.8961 3119876 ChemDiv3_004166 CC(C)(C)C1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N09 compound treatment 0.443 0.0206 0.65 0.437 0.0128 0.38 0.726 0.9677 3119877 ChemDiv3_004167 CCOC(=O)c1c(NC(=O)CC2S/C(=N\CC)/N(CC)C2=O)sc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N10 compound treatment 0.38 -0.0424 -1.33 0.382 -0.0422 -1.25 -1.8271 -0.9995 3023583 ChemDiv3_004168 COc1ccc(CNC(=N)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N11 compound treatment 0.475 0.0526 1.65 0.459 0.0348 1.03 1.8985 0.9742 1550858 ChemDiv3_004169 CC1CCN(CC1)c2nnc(c3cccs3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N12 compound treatment 0.435 0.0126 0.4 0.417 -0.00719 -0.21 0.1291 0.2874 1484112 ChemDiv3_004170 O=S(=O)(Nc1nc2ccccc2nc1NCCC3=CCCCC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N13 compound treatment 0.441 0.0186 0.58 0.434 0.00981 0.29 0.6187 0.9481 1570344 ChemDiv3_004171 CCc1nc(n2nnc3cc(C)c(C)cc23)c4c5CCCCc5sc4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N14 compound treatment 0.426 0.00358 0.11 0.425 8.12E-4 0.02 0.0966 0.8393 1352096 ChemDiv3_004172 CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N15 compound treatment 0.424 0.00158 0.05 0.422 -0.00219 -0.06 -0.0107 -0.1309 1652261 ChemDiv3_004173 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)N(CO)c4ccccc43)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N16 compound treatment 0.465 0.0426 1.34 0.457 0.0328 0.97 1.6342 0.9877 3023589 ChemDiv3_004174 CC(C)(C)c1cc2oc3CCCCc3c2c(/C=N/Cc4ccncc4)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N17 compound treatment 0.43 0.00758 0.24 0.428 0.00381 0.11 0.2484 0.9418 1176412 ChemDiv3_004175 Cc1onc(c1C(=O)NC(=S)NCc2ccco2)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N18 compound treatment 0.41 -0.0124 -0.39 0.43 0.00581 0.17 -0.1543 -0.3616 1286690 ChemDiv3_004176 CC1(C)CC(CC(=O)N2CCOCC2)(CCO1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N19 compound treatment 0.439 0.0166 0.52 0.459 0.0348 1.03 1.0981 0.95 1350975 ChemDiv3_004177 Cc1nn(C(=O)c2cccnc2)c(c1Sc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N20 compound treatment 0.426 0.00358 0.11 0.436 0.0118 0.35 0.3271 0.8897 3119878 ChemDiv3_004178 CCCN(CCC)CN1CC(Cn2c3ccccc3c4ccccc24)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N21 compound treatment 0.412 -0.0104 -0.33 0.396 -0.0282 -0.84 -0.8223 -0.9165 1867988 ChemDiv3_004179 CC1CC(c2ccccc2)c3cc(C)ccc3N1S(=O)(=O)c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N22 compound treatment 0.404 -0.0184 -0.58 0.409 -0.0152 -0.45 -0.7278 -0.9922 3119879 ChemDiv3_004180 Clc1ccc(cc1)C(=O)NC(=N)NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N23 mock treatment 0.421 -0.00142 -0.04 0.42 -0.00419 -0.12 -0.1193 -0.9047 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 N24 mock treatment 0.434 0.0116 0.36 0.438 0.0138 0.41 0.5469 0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O01 compound treatment 0.467 0.0446 1.4 0.46 0.0358 1.06 1.7416 0.9906 3023594 ChemDiv3_004181 CSc1nnc(c(O)n1)c2ccccc2N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O02 compound treatment 0.446 0.0236 0.74 0.441 0.0168 0.5 0.8766 0.9813 3119880 ChemDiv3_004182 NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O03 compound treatment 0.543 0.121 3.79 0.531 0.107 3.17 4.919 0.996 3023659 ChemDiv3_004183 CCc1ccc2NC(=O)/C(=C/3\NC(=S)NC3=O)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O04 compound treatment 0.429 0.00658 0.21 0.432 0.00781 0.23 0.31 0.9984 1537162 ChemDiv3_004184 COCc1cc(C)nc2sc(C(=O)N)c(N)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O05 compound treatment 0.475 0.0526 1.65 0.475 0.0508 1.51 2.2337 0.9989 3023662 ChemDiv3_004185 COc1cccc(/C=C/2\N=C(SC)SC2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O06 compound treatment 0.419 -0.00342 -0.11 0.411 -0.0132 -0.39 -0.3523 -0.8694 3119881 ChemDiv3_004186 COc1cc(OC)cc(c1)C(=O)N2CCN=C2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O07 compound treatment 0.564 0.142 4.45 0.66 0.236 6.99 8.0888 0.9763 3023663 ChemDiv3_004187 CCN(CC)c1ccc(/C=C/2\N(C)C(=N)NC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O08 compound treatment 0.47 0.0476 1.5 0.472 0.0478 1.42 2.0597 0.9996 3119882 ChemDiv3_004188 CC(O)CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Br)cc3)/C(=C(C#N)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O09 compound treatment 0.496 0.0736 2.31 0.492 0.0678 2.01 3.0568 0.9975 3023665 ChemDiv3_004189 CSC1=N/C(=C\c2ccc(Br)cc2)/C(=O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O10 compound treatment 0.431 0.00858 0.27 0.424 -1.88E-4 -0.01 0.1869 0.6924 1520777 ChemDiv3_004190 CN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)NC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O11 compound treatment 0.322 -0.1 -3.16 0.319 -0.105 -3.12 -4.4367 -1.0 1527053 ChemDiv3_004191 O=C(CN1CC(=O)Oc2ccccc12)OCC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O12 compound treatment 0.491 0.0686 2.16 0.484 0.0598 1.77 2.778 0.9953 3120033 ChemDiv3_004192 CCn1c2ccccc2c3cc(CNCCc4ccc(Cl)cc4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O13 compound treatment 0.411 -0.0114 -0.36 0.425 8.12E-4 0.02 -0.2369 -0.6582 1472912 ChemDiv3_004193 O=C(NC1(CCCCC1)C#N)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O14 compound treatment 0.48 0.0576 1.81 0.471 0.0468 1.39 2.2611 0.9913 3120034 ChemDiv3_004194 CCCN(CCC)C1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O15 compound treatment 0.455 0.0326 1.02 0.444 0.0198 0.59 1.1395 0.9651 3120035 ChemDiv3_004195 CS(=O)(=O)N1N=C(CC1c2cc3ccccc3nc2Cl)c4ccc(Br)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O16 compound treatment 0.475 0.0526 1.65 0.481 0.0568 1.68 2.3594 1.0 1484690 ChemDiv3_004196 OC(=O)CCNc1ncnc2sc3CCCCc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O17 compound treatment 0.439 0.0166 0.52 0.432 0.00781 0.23 0.5323 0.9332 3120036 ChemDiv3_004197 C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O18 compound treatment 0.457 0.0346 1.09 0.481 0.0568 1.68 1.9592 0.9776 1564957 ChemDiv3_004198 CCOc1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O19 compound treatment 0.433 0.0106 0.33 0.427 0.00281 0.08 0.2942 0.8577 3023723 ChemDiv3_004199 CC1=CS(=O)(=O)CC1Sc2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O20 compound treatment 0.441 0.0186 0.58 0.45 0.0258 0.76 0.954 0.9912 1479636 ChemDiv3_004200 Cc1oc(cc1COc2ccc3c4CCCCc4c(=O)oc3c2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O21 compound treatment 0.439 0.0166 0.52 0.452 0.0278 0.82 0.9514 0.9756 3023725 ChemDiv3_004201 Cc1nc2sc3CCCCc3c2c4nnc(SCC(=O)c5ccccc5)n14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O22 compound treatment 0.432 0.00958 0.3 0.44 0.0158 0.47 0.5443 0.9772 3120037 ChemDiv3_004202 CC1CCC2(CC1)NN(C(=S)N2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O23 mock treatment 0.449 0.0266 0.84 0.444 0.0198 0.59 1.0061 0.9851 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 O24 mock treatment 0.446 0.0236 0.74 0.448 0.0238 0.71 1.0232 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P01 compound treatment 0.463 0.0406 1.28 0.447 0.0228 0.68 1.3802 0.9559 3120038 ChemDiv3_004203 COCCN1C(=O)N(C(=O)/C(=C\c2cc(C)n(c2C)c3ccncc3)/C1=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P02 compound treatment 0.428 0.00558 0.18 0.425 8.12E-4 0.02 0.1411 0.7967 3023728 ChemDiv3_004204 CCc1c(C)[n+]([O-])c2CCCCCc2[n+]1[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P03 compound treatment 0.433 0.0106 0.33 0.427 0.00281 0.08 0.2942 0.8577 3023729 ChemDiv3_004205 COC(=O)c1ccc(OCC(O)Cn2c(C)[n+](C)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P04 compound treatment 0.442 0.0196 0.62 0.43 0.00581 0.17 0.5571 0.8715 3120039 ChemDiv3_004206 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P05 compound treatment 0.482 0.0596 1.87 0.471 0.0468 1.39 2.3056 0.9891 3023733 ChemDiv3_004207 O=C(ON1C(=O)c2ccccc2C1=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P06 compound treatment 0.441 0.0186 0.58 0.44 0.0158 0.47 0.7444 0.994 1192417 ChemDiv3_004208 COc1cc(cc(OC)c1OC)C2C3=C(CCCC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P07 compound treatment 0.424 0.00158 0.05 0.437 0.0128 0.38 0.3036 0.7929 3120040 ChemDiv3_004209 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C2NCN(CCOC(=O)c3ccccc3)CN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P08 compound treatment 0.417 -0.00542 -0.17 0.432 0.00781 0.23 0.0432 0.1503 3023735 ChemDiv3_004210 COC(=O)c1c(C)nn(c1NC(=O)C(C)Oc2ccc(Cl)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P09 compound treatment 0.473 0.0506 1.59 0.48 0.0558 1.65 2.294 0.9998 1521251 ChemDiv3_004211 Cc1cc2nnn(c3nc(C)nc4sc5CCCCc5c34)c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P10 compound treatment 0.466 0.0436 1.37 0.446 0.0218 0.65 1.426 0.9412 3023737 ChemDiv3_004212 CSc1nc(C)cc(NC(=O)N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P11 compound treatment 0.42 -0.00242 -0.08 0.434 0.00981 0.29 0.1518 0.5051 1165643 ChemDiv3_004213 CC(C)(C)c1ccc(cc1)c2cc3ccccn3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P12 compound treatment 0.431 0.00858 0.27 0.433 0.00881 0.26 0.3754 0.9999 1379043 ChemDiv3_004214 Fc1ccccc1Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P13 compound treatment 0.486 0.0636 2.0 0.488 0.0638 1.89 2.7507 0.9996 3120041 ChemDiv3_004215 Cc1cc(C(=O)CSc2ncnc3sc4CCCCc4c23)c(C)n1Cc5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P14 compound treatment 0.571 0.149 4.67 0.572 0.148 4.38 6.4006 0.9995 3024070 ChemDiv3_004216 CN1C(=O)/C(=C/Nc2cccc(Cl)c2)/c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P15 compound treatment 0.443 0.0206 0.65 0.45 0.0258 0.76 0.9984 0.9965 1257595 ChemDiv3_004217 OC(=O)CSc1nnc-2c(OC3(CCCC3)Nc4ccccc42)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P16 compound treatment 0.529 0.107 3.35 0.545 0.121 3.58 4.9011 0.9995 3024074 ChemDiv3_004218 CN1C(=O)/C(=C\Nc2cccc(CO)c2)/c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P17 compound treatment 0.472 0.0496 1.56 0.461 0.0368 1.09 1.8737 0.9847 3120042 ChemDiv3_004219 Cc1ccc(Oc2ncnc3sccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P18 compound treatment 0.45 0.0276 0.87 0.445 0.0208 0.62 1.0493 0.986 3024079 ChemDiv3_004220 CC1=N/C(=C/c2cc3ccccc3nc2Sc4ccc(C)cc4)/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P19 compound treatment 0.443 0.0206 0.65 0.444 0.0198 0.59 0.8727 0.9988 1244804 ChemDiv3_004221 COc1ccc(cc1OC)C(=O)Nn2c(C)nnc2n3nc(C)cc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P20 compound treatment 0.449 0.0266 0.84 0.444 0.0198 0.59 1.0061 0.9851 3120043 ChemDiv3_004222 CC(C)CN(CC(C)C)CN1CC(COc2ccccc2C)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P21 compound treatment 0.446 0.0236 0.74 0.451 0.0268 0.79 1.0861 0.9994 3023284 ChemDiv3_004223 COC(=O)C1=CN(C=C(C1c2cccc(OC)c2)C(=O)OC)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P22 compound treatment 0.459 0.0366 1.15 0.466 0.0418 1.24 1.6894 0.9993 1820755 ChemDiv3_004224 O=C(CSc1nnnn1c2ccccc2)N3c4ccccc4CCc5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P23 mock treatment 0.431 0.00858 0.27 0.435 0.0108 0.32 0.4173 0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2012 P24 mock treatment 0.492 0.0696 2.19 0.483 0.0588 1.74 2.7793 0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A01 compound treatment 0.45 0.0288 0.91 0.429 0.0146 0.43 0.9467 0.9425 3027680 ChemDiv3_007041 FC(F)(F)c1cc(nc(SCCCC(=O)NC2CCCC2)n1)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A02 compound treatment 0.453 0.0318 1.0 0.426 0.0116 0.34 0.9505 0.8982 3118293 ChemDiv3_007042 CC(C)CCNC(=O)c1c(C)oc2C(=O)c3ccccc3C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A03 compound treatment 0.416 -0.00516 -0.16 0.385 -0.0294 -0.87 -0.7312 -0.8246 1788862 ChemDiv3_007043 O=C(Nc1cccnc1)c2nc3ncccn3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A04 compound treatment 0.418 -0.00316 -0.1 0.395 -0.0194 -0.58 -0.4772 -0.8172 1875739 ChemDiv3_007044 OC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)NC(=O)c4cccc(c2)c43)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A05 compound treatment 0.457 0.0358 1.13 0.445 0.0306 0.91 1.4376 0.9942 3027681 ChemDiv3_007045 COC(=O)CSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A06 compound treatment 0.416 -0.00516 -0.16 0.385 -0.0294 -0.87 -0.7312 -0.8246 3118294 ChemDiv3_007046 COc1ccc2[nH]c(SCc3cnc(C)nc3N)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A07 compound treatment 0.437 0.0158 0.5 0.415 5.81E-4 0.02 0.3643 0.7311 3027682 ChemDiv3_007047 CCSC1=C(C#N)C(=O)NC(CO)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A08 compound treatment 0.479 0.0578 1.82 0.45 0.0356 1.05 2.0315 0.9664 3118295 ChemDiv3_007048 Clc1ccc(cc1)C2C3=C(Nc4ccccc4S2(=O)=O)c5ccccc5C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A09 compound treatment 0.44 0.0188 0.59 0.414 -4.19E-4 -0.01 0.4101 0.6921 3118296 ChemDiv3_007049 CC1(C)OC[C@H](O1)[C@H](O)P(=O)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A10 compound treatment 0.434 0.0128 0.4 0.4 -0.0144 -0.43 -0.0167 -0.0284 3027683 ChemDiv3_007050 CC(C)N1CNC(=NC1)Nc2nc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A11 compound treatment 0.444 0.0228 0.72 0.445 0.0306 0.91 1.1485 0.9934 3118297 ChemDiv3_007051 CCOc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)N4C(C)CCCC4C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A12 compound treatment 0.425 0.00384 0.12 0.45 0.0356 1.05 0.8309 0.7829 3027684 ChemDiv3_007052 CC(C)CCN1C(=O)c2ccc(cc2C1=O)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A13 compound treatment 0.432 0.0108 0.34 0.428 0.0136 0.4 0.5255 0.9966 3118298 ChemDiv3_007053 CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A14 compound treatment 0.43 0.00884 0.28 0.402 -0.0124 -0.37 -0.0637 -0.1381 1748461 ChemDiv3_007054 CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc23)nc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A15 compound treatment 0.456 0.0348 1.1 0.453 0.0386 1.14 1.583 0.9998 3027685 ChemDiv3_007055 COc1ccc(cc1)N2CCc3c2n4c5ccccc5nc4c(C#N)c3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A16 compound treatment 0.424 0.00284 0.09 0.43 0.0156 0.46 0.3896 0.8285 3118299 ChemDiv3_007056 O=C(CSc1nc2ccccc2nc1N3CCOCC3)NCc4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A17 compound treatment 0.426 0.00484 0.15 0.432 0.0176 0.52 0.4759 0.877 3027686 ChemDiv3_007057 Cn1c(=O)[nH]c(=O)c2n(CC=C)cnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A18 compound treatment 0.432 0.0108 0.34 0.441 0.0266 0.79 0.7979 0.9298 3118300 ChemDiv3_007058 Oc1ccc2c(CSc3cccc4cccnc34)cc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A19 compound treatment 0.424 0.00284 0.09 0.426 0.0116 0.34 0.3058 0.8623 1612422 ChemDiv3_007059 Cc1cc(O)nc(SCc2cn3c(C)cc(C)nc3n2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A20 compound treatment 0.407 -0.0142 -0.45 0.406 -0.00842 -0.25 -0.4913 -0.9625 3027740 ChemDiv3_007060 CN(C)C1=NC(N=C(O1)c2ccccc2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A21 compound treatment 0.428 0.00684 0.22 0.441 0.0266 0.79 0.709 0.8684 3118301 ChemDiv3_007061 S1C(C(=Nc2ccccc12)c3ccccc3)c4nc5ccccc5[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A22 compound treatment 0.415 -0.00616 -0.19 0.414 -4.19E-4 -0.01 -0.1458 -0.7509 3027741 ChemDiv3_007062 CN(C)C1=NC(c2c(C)nn(c2O1)c3ccccc3)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A23 mock treatment 0.413 -0.00816 -0.26 0.414 -4.19E-4 -0.01 -0.1902 -0.7405 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 A24 mock treatment 0.42 -0.00116 -0.04 0.398 -0.0164 -0.49 -0.3698 -0.758 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B01 compound treatment 0.122 -0.299 -9.41 0.124 -0.29 -8.61 -12.7366 -0.999 1198210 ChemDiv3_007063 Oc1c(ccc2cccnc12)C(N3CCCC3)c4ccncc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B02 compound treatment 0.411 -0.0102 -0.32 0.419 0.00458 0.14 -0.1299 -0.3743 1284982 ChemDiv3_007064 OCCNC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B03 compound treatment 0.464 0.0428 1.35 0.459 0.0446 1.32 1.8866 1.0 1247906 ChemDiv3_007065 CC(C)C(c1c(C)[nH]c2ccccc12)c3c(C)[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B04 compound treatment 0.406 -0.0152 -0.48 0.423 0.00858 0.25 -0.1573 -0.2912 3027742 ChemDiv3_007066 Cc1ccc(NC(=O)CSC(=N)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B05 compound treatment 0.445 0.0238 0.75 0.452 0.0376 1.11 1.3174 0.9814 3118302 ChemDiv3_007067 COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B06 compound treatment 0.401 -0.0202 -0.63 0.398 -0.0164 -0.49 -0.7923 -0.9915 1627380 ChemDiv3_007068 CCN(CC)Cn1cnc2c(SC)ncnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B07 compound treatment 0.402 -0.0192 -0.6 0.396 -0.0184 -0.55 -0.812 -0.9988 3118303 ChemDiv3_007069 CC1(C)C2(C)CCC1(C(=O)O)c3nc4ccc5ncccc5c4nc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B08 compound treatment 0.421 -1.61E-4 -0.01 0.431 0.0166 0.49 0.3438 0.6998 3027743 ChemDiv3_007070 Clc1ccc(CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B09 compound treatment 0.421 -1.61E-4 -0.01 0.421 0.00658 0.19 0.1343 0.6885 3118304 ChemDiv3_007071 Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N3CCc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B10 compound treatment 0.437 0.0158 0.5 0.44 0.0256 0.76 0.8881 0.9792 1618272 ChemDiv3_007072 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3OC(C)(C)Oc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B11 compound treatment 0.414 -0.00716 -0.23 0.409 -0.00542 -0.16 -0.2728 -0.9863 3027744 ChemDiv3_007073 Cc1ccc(cc1)S(=O)(=O)c2nc(c(NCc3ccco3)s2)S(=O)(=O)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B12 compound treatment 0.433 0.0118 0.37 0.436 0.0216 0.64 0.7154 0.9668 3118305 ChemDiv3_007074 COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B13 compound treatment 0.426 0.00484 0.15 0.431 0.0166 0.49 0.455 0.8846 3118306 ChemDiv3_007075 COc1ccc(cc1)C2C(=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B14 compound treatment 0.435 0.0138 0.44 0.433 0.0186 0.55 0.697 0.9932 1516177 ChemDiv3_007076 O=C(NCc1ccc2OCOc2c1)c3ccc4c(=O)n(Cc5ccccc5)c(=S)[nH]c4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B15 compound treatment 0.409 -0.0122 -0.38 0.406 -0.00842 -0.25 -0.4468 -0.9786 3118307 ChemDiv3_007077 CN(C)CCn1c(C)cc2OC(=C(C#N)C(c3ccncc3)c2c1=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B16 compound treatment 0.424 0.00284 0.09 0.429 0.0146 0.43 0.3686 0.8355 3027745 ChemDiv3_007078 CCOc1ccc(NC(=O)CCNC(=O)c2cn(c3cccc(OC)c3)c(=O)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B17 compound treatment 0.406 -0.0152 -0.48 0.413 -0.00142 -0.04 -0.3668 -0.7665 3118308 ChemDiv3_007079 Fc1ccc(NP2(=O)COc3ccccc3OC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B18 compound treatment 0.428 0.00684 0.22 0.426 0.0116 0.34 0.3947 0.9747 3118309 ChemDiv3_007080 CC1(C)CC(=O)C2=C(C1)N(CCN3CCOCC3)C4=C(C2c5cccc(Cl)c5)C(=O)CC(C)(C)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B19 compound treatment 0.434 0.0128 0.4 0.423 0.00858 0.25 0.4652 0.9752 3027746 ChemDiv3_007081 CC[n+]1c(/C=C/2\SC=CN2C)cc(C)c3cc(OC)c4ccccc4c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B20 compound treatment 0.464 0.0428 1.35 0.454 0.0396 1.17 1.7818 0.9976 3118310 ChemDiv3_007082 CCOC(=O)c1cnc2c(OC)cccc2c1N3CC(C)CC(C)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B21 compound treatment 0.465 0.0438 1.38 0.451 0.0366 1.08 1.7412 0.9929 3027747 ChemDiv3_007083 S(c1ccc(/C=N/c2cccc3ccccc23)o1)c4nnnn4c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B22 compound treatment 0.409 -0.0122 -0.38 0.399 -0.0154 -0.46 -0.5935 -0.9961 3118432 ChemDiv3_007084 CCOc1ccc2n(CC)/c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B23 mock treatment 0.415 -0.00616 -0.19 0.423 0.00858 0.25 0.0428 0.1339 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 B24 mock treatment 0.429 0.00784 0.25 0.433 0.0186 0.55 0.5636 0.9343 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C01 compound treatment 0.425 0.00384 0.12 0.405 -0.00942 -0.28 -0.112 -0.3683 3027748 ChemDiv3_007085 FC(F)(F)c1cc(nc(OCC(=O)NCC=C)n1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C02 compound treatment 0.427 0.00584 0.18 0.42 0.00558 0.17 0.2467 0.9986 3118433 ChemDiv3_007086 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C03 compound treatment 0.411 -0.0102 -0.32 0.375 -0.0394 -1.17 -1.0519 -0.8686 1788886 ChemDiv3_007087 CCOC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc4CC(CC)CCc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C04 compound treatment 0.405 -0.0162 -0.51 0.377 -0.0374 -1.11 -1.1434 -0.9374 3027749 ChemDiv3_007088 OC(=O)CCC(=O)N(Cc1cn(nc1c2cccnc2)c3ccccc3)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C05 compound treatment 0.389 -0.0322 -1.01 0.364 -0.0504 -1.49 -1.7715 -0.9819 3118434 ChemDiv3_007089 COC(=O)CSC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C06 compound treatment 0.44 0.0188 0.59 0.412 -0.00242 -0.07 0.3682 0.617 3027750 ChemDiv3_007090 Cc1ccc(cc1)n2sc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C07 compound treatment 0.436 0.0148 0.47 0.412 -0.00242 -0.07 0.2792 0.5915 3118435 ChemDiv3_007091 Oc1ccccc1C2NC(=O)C(=C(SCc3ccccc3)S2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C08 compound treatment 0.395 -0.0262 -0.82 0.367 -0.0474 -1.41 -1.5752 -0.9675 3027751 ChemDiv3_007092 Cn1c2NCN(Cc2c(=O)n(C)c1=O)C3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C09 compound treatment 0.423 0.00184 0.06 0.385 -0.0294 -0.87 -0.5755 -0.6588 1528851 ChemDiv3_007093 CCOc1cccc2cc(c3nc4ccccc4s3)c(=O)oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C10 compound treatment 0.41 -0.0112 -0.35 0.387 -0.0274 -0.81 -0.8227 -0.9295 3118436 ChemDiv3_007094 C1NC(=NCN1C2CCCCCC2)Nc3nc4ccccc4s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C11 compound treatment 0.408 -0.0132 -0.41 0.382 -0.0324 -0.96 -0.9719 -0.9292 3027752 ChemDiv3_007095 CCN(CC)C(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C12 compound treatment 0.413 -0.00816 -0.26 0.393 -0.0214 -0.63 -0.6303 -0.9206 3118437 ChemDiv3_007096 CCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C13 compound treatment 0.418 -0.00316 -0.1 0.409 -0.00542 -0.16 -0.1838 -0.9734 3118438 ChemDiv3_007097 COc1ccc(cc1)N2C(=O)CC(C2=O)c3cn(Cc4ccccc4)c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C14 compound treatment 0.404 -0.0172 -0.54 0.388 -0.0264 -0.78 -0.9351 -0.9835 3027753 ChemDiv3_007098 Nc1c(C#N)cnc2c(c(COc3ccccc3)nn12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C15 compound treatment 0.4 -0.0212 -0.67 0.387 -0.0274 -0.81 -1.045 -0.9951 3027754 ChemDiv3_007099 CC1=NNC(=O)C1CCc2ccncc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C16 compound treatment 0.411 -0.0102 -0.32 0.402 -0.0124 -0.37 -0.4861 -0.9975 3118439 ChemDiv3_007100 O=C(CSc1nc2ccccc2nc1N3CCOCC3)N4CCC5(CC4)OCCO5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C17 compound treatment 0.412 -0.00916 -0.29 0.409 -0.00542 -0.16 -0.3172 -0.9619 3027755 ChemDiv3_007101 CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C18 compound treatment 0.428 0.00684 0.22 0.42 0.00558 0.17 0.269 0.9916 3118440 ChemDiv3_007102 CCCOc1ccc(cc1)/C(=N\O)/C(C)(C)NO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C19 compound treatment 0.436 0.0148 0.47 0.432 0.0176 0.52 0.6983 0.9985 3118441 ChemDiv3_007103 CCS(=O)(=O)Nc1cccc(c1)C(=O)CC2(O)C(=O)Nc3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C20 compound treatment 0.406 -0.0152 -0.48 0.391 -0.0234 -0.69 -0.8278 -0.9832 3026802 ChemDiv3_007104 CC1=CC2=NC(NC(=O)N2C=C1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C21 compound treatment 0.405 -0.0162 -0.51 0.393 -0.0214 -0.63 -0.8081 -0.9939 3026803 ChemDiv3_007105 CCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C22 compound treatment 0.413 -0.00816 -0.26 0.403 -0.0114 -0.34 -0.4207 -0.9907 3118442 ChemDiv3_007106 CCC1=NC(C2=C(CC(C)(C)CC2=O)N1Cc3ccccc3)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C23 mock treatment 0.404 -0.0172 -0.54 0.396 -0.0184 -0.55 -0.7675 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 C24 mock treatment 0.429 0.00784 0.25 0.419 0.00458 0.14 0.2703 0.9605 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D01 compound treatment 0.451 0.0298 0.94 0.453 0.0386 1.14 1.4718 0.9952 1621903 ChemDiv3_007107 CN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D02 compound treatment 0.487 0.0658 2.07 0.47 0.0556 1.65 2.6284 0.9936 3026804 ChemDiv3_007108 Cc1ccsc1/C=N/c2ccc(Cl)cc2C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D03 compound treatment 0.388 -0.0332 -1.04 0.376 -0.0384 -1.14 -1.5423 -0.999 1681432 ChemDiv3_007109 Cc1ccc(cc1)C(=O)OC(c2ccccc2)c3nccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D04 compound treatment 0.396 -0.0252 -0.79 0.393 -0.0214 -0.63 -1.0082 -0.994 1346036 ChemDiv3_007110 CCOc1nc(NC2CCCC2)nc(n1)N3CCC(C)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D05 compound treatment 0.407 -0.0142 -0.45 0.392 -0.0224 -0.66 -0.7846 -0.9811 3118443 ChemDiv3_007111 Cc1sc2N(CN(Cc2c1C)C(C)(C)C)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D06 compound treatment 0.41 -0.0112 -0.35 0.395 -0.0194 -0.58 -0.655 -0.9719 1643537 ChemDiv3_007112 CCOC(=O)N1N=C(C)CC1(O)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D07 compound treatment 0.412 -0.00916 -0.29 0.405 -0.00942 -0.28 -0.4011 -0.9999 3118444 ChemDiv3_007113 O(c1ccc2nccnc2c1)c3ccc4nccnc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D08 compound treatment 0.485 0.0638 2.01 0.476 0.0616 1.82 2.7097 0.9989 3026805 ChemDiv3_007114 CN(C)c1ccc(cc1)c2nc(S)[nH]c(=O)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D09 compound treatment 0.398 -0.0232 -0.73 0.4 -0.0144 -0.43 -0.8171 -0.9677 3118445 ChemDiv3_007115 CN1CCN(CC1)C(=O)c2oc3CC(C)(C)CC(=O)c3c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D10 compound treatment 0.405 -0.0162 -0.51 0.395 -0.0194 -0.58 -0.7662 -0.9981 1345726 ChemDiv3_007116 CC(C)(C)N1NC2(CCCCC2)NC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D11 compound treatment 0.455 0.0338 1.06 0.452 0.0376 1.11 1.5398 0.9997 1384630 ChemDiv3_007117 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCOCC2)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D12 compound treatment 0.417 -0.00416 -0.13 0.416 0.00158 0.05 -0.0594 -0.4274 3118446 ChemDiv3_007118 Cc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D13 compound treatment 0.403 -0.0182 -0.57 0.411 -0.00342 -0.1 -0.4754 -0.8198 1444379 ChemDiv3_007119 COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D14 compound treatment 0.426 0.00484 0.15 0.408 -0.00642 -0.19 -0.0269 -0.1105 1441733 ChemDiv3_007120 COc1ccc(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D15 compound treatment 0.4 -0.0212 -0.67 0.402 -0.0124 -0.37 -0.7307 -0.961 3026806 ChemDiv3_007121 COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c4ccncc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D16 compound treatment 0.415 -0.00616 -0.19 0.415 5.81E-4 0.02 -0.1248 -0.6418 3118447 ChemDiv3_007122 COc1ccccc1n2cc(C(=O)NCC(=O)NCC3COc4ccccc4O3)c5ccccc5c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D17 compound treatment 0.394 -0.0272 -0.85 0.396 -0.0184 -0.55 -0.9898 -0.9766 3026807 ChemDiv3_007123 Clc1ccc(cc1)N2CCN(CC2)P3(=O)COc4ccccc4OC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D18 compound treatment 0.424 0.00284 0.09 0.409 -0.00542 -0.16 -0.0504 -0.2745 3118448 ChemDiv3_007124 Nc1cc(OC(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D19 compound treatment 0.373 -0.0482 -1.51 0.375 -0.0394 -1.17 -1.8968 -0.9918 3026808 ChemDiv3_007125 COc1ccc2N(C)/C(=C/c3sc4ccccc4[n+]3C)/C=Cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D20 compound treatment 0.42 -0.00116 -0.04 0.403 -0.0114 -0.34 -0.2651 -0.7789 3118449 ChemDiv3_007126 CCOC(=O)c1cnc2ccc(OCC)cc2c1NC(C)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D21 compound treatment 0.4 -0.0212 -0.67 0.387 -0.0274 -0.81 -1.045 -0.9951 1344877 ChemDiv3_007127 O=C(C1CN(C(=O)C1)c2ccccc2)N(Cc3ccccc3)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D22 compound treatment 0.396 -0.0252 -0.79 0.389 -0.0254 -0.75 -1.092 -0.9997 3026809 ChemDiv3_007128 CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)/sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D23 mock treatment 0.407 -0.0142 -0.45 0.398 -0.0164 -0.49 -0.6589 -0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 D24 mock treatment 0.435 0.0138 0.44 0.427 0.0126 0.37 0.5713 0.997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E01 compound treatment 0.406 -0.0152 -0.48 0.398 -0.0164 -0.49 -0.6811 -0.9999 3118450 ChemDiv3_007129 CC1CCN(C(C)C1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E02 compound treatment 0.432 0.0108 0.34 0.402 -0.0124 -0.37 -0.0192 -0.0383 3026810 ChemDiv3_007130 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NC4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E03 compound treatment 0.397 -0.0242 -0.76 0.374 -0.0404 -1.2 -1.3841 -0.9759 3118451 ChemDiv3_007131 CN(C1CCCCC1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E04 compound treatment 0.392 -0.0292 -0.92 0.357 -0.0574 -1.7 -1.8515 -0.9579 3118452 ChemDiv3_007132 CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E05 compound treatment 0.411 -0.0102 -0.32 0.372 -0.0424 -1.26 -1.1147 -0.8595 3026811 ChemDiv3_007133 CCSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E06 compound treatment 0.401 -0.0202 -0.63 0.372 -0.0424 -1.26 -1.3371 -0.9498 3118573 ChemDiv3_007134 OC(=O)c1ccn(Cn2cnc3ccccc23)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E07 compound treatment 0.43 0.00884 0.28 0.397 -0.0174 -0.52 -0.1685 -0.2874 3026812 ChemDiv3_007135 CC1NC(=O)C(=C(SCc2ccccc2)S1)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E08 compound treatment 0.411 -0.0102 -0.32 0.382 -0.0324 -0.96 -0.9052 -0.8941 3118574 ChemDiv3_007136 Clc1cccc(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E09 compound treatment 0.408 -0.0132 -0.41 0.384 -0.0304 -0.9 -0.93 -0.9377 3118575 ChemDiv3_007137 COc1ccc(cc1Cl)C2Nn3c(C)nnc3SC2C(=O)NCc4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E10 compound treatment 0.41 -0.0112 -0.35 0.388 -0.0264 -0.78 -0.8017 -0.9345 3026813 ChemDiv3_007138 Clc1ccc(SCc2cc(=O)[nH]c(n2)N3CCN(Cc4ccc5OCOc5c4)CC3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E11 compound treatment 0.412 -0.00916 -0.29 0.385 -0.0294 -0.87 -0.8201 -0.8933 3118576 ChemDiv3_007139 Cc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCC4CCCO4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E12 compound treatment 0.418 -0.00316 -0.1 0.394 -0.0204 -0.61 -0.4981 -0.8124 3026814 ChemDiv3_007140 CCOC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E13 compound treatment 0.415 -0.00616 -0.19 0.389 -0.0254 -0.75 -0.6696 -0.861 3118577 ChemDiv3_007141 CC(C)CN1CC(CC1=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E14 compound treatment 0.411 -0.0102 -0.32 0.384 -0.0304 -0.9 -0.8633 -0.9027 3026815 ChemDiv3_007142 Clc1ccc2OCC(=O)N(CC(=O)N3CCCC3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E15 compound treatment 0.412 -0.00916 -0.29 0.406 -0.00842 -0.25 -0.3801 -0.9974 1116771 ChemDiv3_007143 OC(=O)Cc1nc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E16 compound treatment 0.423 0.00184 0.06 0.431 0.0166 0.49 0.3883 0.7849 3118578 ChemDiv3_007144 Clc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E17 compound treatment 0.413 -0.00816 -0.26 0.396 -0.0184 -0.55 -0.5674 -0.9408 1549546 ChemDiv3_007145 Cn1c(NCc2ccco2)nc3n(C)c(=O)n(C)c(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E18 compound treatment 0.405 -0.0162 -0.51 0.403 -0.0114 -0.34 -0.5986 -0.9805 3118579 ChemDiv3_007146 Cc1ccc2c(C)nc(NC(=N)NS(=O)(=O)c3ccccc3)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E19 compound treatment 0.431 0.00984 0.31 0.423 0.00858 0.25 0.3985 0.9953 3026816 ChemDiv3_007147 COc1ccc(NC(=O)C(C)C2SC(=O)NC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E20 compound treatment 0.359 -0.0622 -1.95 0.367 -0.0474 -1.41 -2.3757 -0.9869 3118580 ChemDiv3_007148 Cc1cccc(c1)C2=NC(c3c(N2)n(C)c(=O)n(C)c3=O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E21 compound treatment 0.412 -0.00916 -0.29 0.412 -0.00242 -0.07 -0.2544 -0.8569 3026817 ChemDiv3_007149 CCC1=C(C(c2ccc(Br)cc2)n3ncnc3N1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E22 compound treatment 0.416 -0.00516 -0.16 0.401 -0.0134 -0.4 -0.3959 -0.9219 3118581 ChemDiv3_007150 CC1(C)CC(=O)C2=C(C1)N(Cc3ccco3)C(=O)NC2(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E23 mock treatment 0.403 -0.0182 -0.57 0.389 -0.0254 -0.75 -0.9364 -0.9907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 E24 mock treatment 0.415 -0.00616 -0.19 0.431 0.0166 0.49 0.2104 0.3984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F01 compound treatment 0.13 -0.291 -9.16 0.119 -0.295 -8.75 -12.6635 -0.9997 1293985 ChemDiv3_007151 Oc1c(ccc2cccnc12)C(Nc3cccc(Cl)c3)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F02 compound treatment 0.417 -0.00416 -0.13 0.413 -0.00142 -0.04 -0.1223 -0.8896 3118582 ChemDiv3_007152 CC(NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F03 compound treatment 0.415 -0.00616 -0.19 0.411 -0.00342 -0.1 -0.2086 -0.9543 1225945 ChemDiv3_007153 OC1(CCN(CC1C(=O)c2ccccc2)C3CCS(=O)(=O)C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F04 compound treatment 0.41 -0.0112 -0.35 0.391 -0.0234 -0.69 -0.7389 -0.9501 3118583 ChemDiv3_007154 O=C(CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F05 compound treatment 0.403 -0.0182 -0.57 0.407 -0.00742 -0.22 -0.5593 -0.9139 3026871 ChemDiv3_007155 CCN(CC)CCN1CN(C(=O)c2ccccc2)c3sc(C)c(C)c3C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F06 compound treatment 0.44 0.0188 0.59 0.438 0.0236 0.7 0.9129 0.9966 3118584 ChemDiv3_007156 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cccs3)/C(=O)N(C2=S)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F07 compound treatment 0.415 -0.00616 -0.19 0.409 -0.00542 -0.16 -0.2505 -0.9957 1868012 ChemDiv3_007157 CNC(=O)Cc1coc2ccc3ccccc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F08 compound treatment 0.413 -0.00816 -0.26 0.42 0.00558 0.17 -0.0645 -0.2114 3118585 ChemDiv3_007158 O=C(CSc1ncccn1)Nc2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F09 compound treatment 0.369 -0.0522 -1.64 0.375 -0.0394 -1.17 -1.9857 -0.9862 3026872 ChemDiv3_007159 Cc1ccc2cc3CCN(Cc4ccco4)c3nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F10 compound treatment 0.415 -0.00616 -0.19 0.431 0.0166 0.49 0.2104 0.3984 3118586 ChemDiv3_007160 CCOc1cccc(NC(=O)C2CC(=O)N(/N=C(\C)/c3ccc(Br)s3)C(=N)S2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F11 compound treatment 0.421 -1.61E-4 -0.01 0.403 -0.0114 -0.34 -0.2429 -0.7176 3118587 ChemDiv3_007161 CCOC(=O)c1ccc2nc(nc(NCCCc3ccccc3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F12 compound treatment 0.42 -0.00116 -0.04 0.437 0.0226 0.67 0.4473 0.6675 1635368 ChemDiv3_007162 O=C(NCc1ccccc1)c2ccc3c(=O)n(CCc4ccccc4)c(SCC#N)nc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F13 compound treatment 0.421 -1.61E-4 -0.01 0.444 0.0296 0.88 0.6162 0.703 3118588 ChemDiv3_007163 Cc1cc2OC(=C(C#N)C(c3cccc(F)c3)c2c(=O)n1CCN4CCOCC4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F14 compound treatment 0.411 -0.0102 -0.32 0.425 0.0106 0.31 -0.0042 -0.0095 1650732 ChemDiv3_007164 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F15 compound treatment 0.417 -0.00416 -0.13 0.419 0.00458 0.14 0.0035 0.0183 3026873 ChemDiv3_007165 CC(C)c1ccc(cc1)C2C(=C(N)Oc3cc(C)[nH]c(=O)c23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F16 compound treatment 0.417 -0.00416 -0.13 0.431 0.0166 0.49 0.2549 0.5013 1236286 ChemDiv3_007166 O=C(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)c4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F17 compound treatment 0.416 -0.00516 -0.16 0.419 0.00458 0.14 -0.0188 -0.0888 3026874 ChemDiv3_007167 O=P1(COc2ccccc2OC1)Nc3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F18 compound treatment 0.42 -0.00116 -0.04 0.423 0.00858 0.25 0.154 0.5994 3026875 ChemDiv3_007168 COc1ccc(cc1)S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F19 compound treatment 0.403 -0.0182 -0.57 0.4 -0.0144 -0.43 -0.7059 -0.9898 3118589 ChemDiv3_007169 COc1cccc(c1)C(=O)NC(NCC2CCCO2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F20 compound treatment 0.414 -0.00716 -0.23 0.413 -0.00142 -0.04 -0.189 -0.8249 1723594 ChemDiv3_007170 CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F21 compound treatment 0.396 -0.0252 -0.79 0.396 -0.0184 -0.55 -0.9454 -0.9836 1579177 ChemDiv3_007171 OP(=O)(CN1CCCCC1)CN2CCCCCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F22 compound treatment 0.413 -0.00816 -0.26 0.406 -0.00842 -0.25 -0.3579 -0.9999 3118590 ChemDiv3_007172 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)/N=c\3/sc4cccc(Cl)c4n3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F23 mock treatment 0.397 -0.0242 -0.76 0.406 -0.00842 -0.25 -0.7136 -0.8924 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 F24 mock treatment 0.448 0.0268 0.84 0.415 5.81E-4 0.02 0.6089 0.7214 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G01 compound treatment 0.411 -0.0102 -0.32 0.402 -0.0124 -0.37 -0.4861 -0.9975 3026876 ChemDiv3_007173 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCCCCC3)n2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G02 compound treatment 0.438 0.0168 0.53 0.417 0.00258 0.08 0.4285 0.8009 3118591 ChemDiv3_007174 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G03 compound treatment 0.42 -0.00116 -0.04 0.412 -0.00242 -0.07 -0.0765 -0.951 3026877 ChemDiv3_007175 CSc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G04 compound treatment 0.405 -0.0162 -0.51 0.384 -0.0304 -0.9 -0.9967 -0.9632 3118592 ChemDiv3_007176 CC1(C)CC(CCO1)N(Cc2cccs2)C(=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G05 compound treatment 0.436 0.0148 0.47 0.4 -0.0144 -0.43 0.0278 0.0439 3118593 ChemDiv3_007177 CCSC1=C(C#N)C(=O)NC(S1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G06 compound treatment 0.528 0.107 3.36 0.484 0.0696 2.06 3.8333 0.9725 3026878 ChemDiv3_007178 OC(=O)/C=C/c1ccc2c(onc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G07 compound treatment 0.415 -0.00616 -0.19 0.369 -0.0454 -1.35 -1.0886 -0.8006 3118594 ChemDiv3_007179 Cc1csc2nc(=O)c(nn12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G08 compound treatment 0.424 0.00284 0.09 0.396 -0.0184 -0.55 -0.3228 -0.5837 3026879 ChemDiv3_007180 CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G09 compound treatment 0.412 -0.00916 -0.29 0.384 -0.0304 -0.9 -0.8411 -0.8888 3118595 ChemDiv3_007181 Cc1cccc(NC(=O)C2Sc3nnc(c4ccccc4)n3NC2c5ccccc5)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G10 compound treatment 0.417 -0.00416 -0.13 0.384 -0.0304 -0.9 -0.7299 -0.8014 3118596 ChemDiv3_007182 CCC(=O)N1CCNC(=O)C1CC(=O)Nc2ccc(C)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G11 compound treatment 0.423 0.00184 0.06 0.391 -0.0234 -0.69 -0.4498 -0.646 1170868 ChemDiv3_007183 Cn1c(=O)c(Nc2ccccc2)c3-c4ccccc4C(=O)c5cccc1c53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G12 compound treatment 0.436 0.0148 0.47 0.421 0.00658 0.19 0.4678 0.9251 3026880 ChemDiv3_007184 CCc1nnc2sc(nn12)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G13 compound treatment 0.437 0.0158 0.5 0.432 0.0176 0.52 0.7205 0.9997 3118721 ChemDiv3_007185 CC(C)(CO)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G14 compound treatment 0.437 0.0158 0.5 0.419 0.00458 0.14 0.4481 0.8682 3118722 ChemDiv3_007186 Cn1cccc1CNCCc2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G15 compound treatment 0.424 0.00284 0.09 0.413 -0.00142 -0.04 0.0334 0.3383 3026881 ChemDiv3_007187 Oc1cccnc1NC(=O)CCC2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G16 compound treatment 0.435 0.0138 0.44 0.42 0.00558 0.17 0.4246 0.9122 3118723 ChemDiv3_007188 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCc4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G17 compound treatment 0.423 0.00184 0.06 0.41 -0.00442 -0.13 -0.0517 -0.3613 3118724 ChemDiv3_007189 Cc1ccc(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G18 compound treatment 0.415 -0.00616 -0.19 0.4 -0.0144 -0.43 -0.4391 -0.936 3026882 ChemDiv3_007190 CCOC(=O)c1cnc(Nc2nc3ccccc3s2)nc1CSc4ncccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G19 compound treatment 0.403 -0.0182 -0.57 0.412 -0.00242 -0.07 -0.4545 -0.7897 3118725 ChemDiv3_007191 CC(C1SC(=O)NC1=O)C(=O)Nc2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G20 compound treatment 0.394 -0.0272 -0.85 0.391 -0.0234 -0.69 -1.0946 -0.9947 3026883 ChemDiv3_007192 FC(F)(F)C1(N=C(NC(=N1)c2ccccc2)c3ccccc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G21 compound treatment 0.415 -0.00616 -0.19 0.421 0.00658 0.19 9.0E-4 0.0032 3026933 ChemDiv3_007193 NC(=O)c1cc(C(=O)Nc2ccccc2)c(N)nc1SCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G22 compound treatment 0.429 0.00784 0.25 0.4 -0.0144 -0.43 -0.1278 -0.2592 3118726 ChemDiv3_007194 CC1=C(C#N)C(N=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G23 mock treatment 0.408 -0.0132 -0.41 0.389 -0.0254 -0.75 -0.8252 -0.9602 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 G24 mock treatment 0.419 -0.00216 -0.07 0.398 -0.0164 -0.49 -0.3921 -0.7981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H01 compound treatment 0.47 0.0488 1.54 0.473 0.0586 1.74 2.3133 0.9981 1322971 ChemDiv3_007195 CC(C)c1ccc(cc1)C(Nc2nccs2)c3c(C)[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H02 compound treatment 0.415 -0.00616 -0.19 0.421 0.00658 0.19 9.0E-4 0.0032 3118727 ChemDiv3_007196 Cc1ccc(cc1)N(CC(=O)NCc2ccco2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H03 compound treatment 0.422 8.39E-4 0.03 0.472 0.0576 1.71 1.2251 0.718 1679882 ChemDiv3_007197 Cc1[nH]c2ccccc2c1C(O)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H04 compound treatment 0.409 -0.0122 -0.38 0.469 0.0546 1.62 0.8732 0.5254 3118728 ChemDiv3_007198 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)NC3=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H05 compound treatment 0.406 -0.0152 -0.48 0.417 0.00258 0.08 -0.283 -0.5862 3118729 ChemDiv3_007199 Cc1sc2N(CN(Cc3ccco3)Cc2c1C)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H06 compound treatment 0.412 -0.00916 -0.29 0.471 0.0566 1.68 0.9818 0.5772 3026934 ChemDiv3_007200 CCN1C(=O)/C(=C\C=C\2/Sc3ccc(Cl)cc3N2C)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H07 compound treatment 0.423 0.00184 0.06 0.462 0.0476 1.41 1.0378 0.7355 3118730 ChemDiv3_007201 Cc1ccc2cc3CCN(c3nc2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H08 compound treatment 0.408 -0.0132 -0.41 0.475 0.0606 1.8 0.9767 0.5302 1574479 ChemDiv3_007202 O=C(CCSc1ccccc1)NC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H09 compound treatment 0.425 0.00384 0.12 0.526 0.112 3.31 2.4233 0.7324 3118731 ChemDiv3_007203 Cc1ccc2cc3CCN(c3nc2c1)c4ccc(cc4)C(=O)NCc5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H10 compound treatment 0.425 0.00384 0.12 0.495 0.0806 2.39 1.7737 0.7419 1738369 ChemDiv3_007204 CCC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H11 compound treatment 0.419 -0.00216 -0.07 0.481 0.0666 1.97 1.347 0.6823 3026935 ChemDiv3_007205 CCOC(=O)c1ccc2nc(nc(N3CC(C)OC(C)C3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H12 compound treatment 0.422 8.39E-4 0.03 0.503 0.0886 2.62 1.8747 0.7142 1558178 ChemDiv3_007206 CCCCn1c(SCC(=O)OCC)nc2n(CCc3ccccc3)c(=S)sc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H13 compound treatment 0.411 -0.0102 -0.32 0.462 0.0476 1.41 0.771 0.5333 3118732 ChemDiv3_007207 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1CCCn4ccnc4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H14 compound treatment 0.427 0.00584 0.18 0.471 0.0566 1.68 1.3153 0.7799 1230528 ChemDiv3_007208 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)Nc4ccc(C)c(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H15 compound treatment 0.409 -0.0122 -0.38 0.442 0.0276 0.82 0.3075 0.3408 3118733 ChemDiv3_007209 N(c1ccccc1)c2ccc(nn2)n3ccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H16 compound treatment 0.428 0.00684 0.22 0.484 0.0696 2.06 1.61 0.7766 3026936 ChemDiv3_007210 CC(C)c1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H17 compound treatment 0.432 0.0108 0.34 0.475 0.0606 1.8 1.5103 0.8266 3118734 ChemDiv3_007211 CC(C)c1ccc(C)c(OP2(=O)COc3ccccc3OC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H18 compound treatment 0.416 -0.00516 -0.16 0.454 0.0396 1.17 0.7146 0.6035 3026937 ChemDiv3_007212 CCOC(=O)c1cnc2cc(ccc2c1N(C)Cc3ccccc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H19 compound treatment 0.436 0.0148 0.47 0.489 0.0746 2.21 1.8926 0.8379 3118735 ChemDiv3_007213 Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H20 compound treatment 0.438 0.0168 0.53 0.508 0.0936 2.77 2.3352 0.8272 3118736 ChemDiv3_007214 CCOC(=O)c1cnc2ccc(OCC)cc2c1N3CCN(CC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H21 compound treatment 0.438 0.0168 0.53 0.507 0.0926 2.74 2.3142 0.8283 3026938 ChemDiv3_007215 Cc1ccccc1/N=C/c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H22 compound treatment 0.393 -0.0282 -0.89 0.425 0.0106 0.31 -0.4044 -0.4306 3118737 ChemDiv3_007216 CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)/sc4c1ccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H23 mock treatment 0.412 -0.00916 -0.29 0.42 0.00558 0.17 -0.0868 -0.2612 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 H24 mock treatment 0.424 0.00284 0.09 0.417 0.00258 0.08 0.1172 0.997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I01 compound treatment 0.444 0.0228 0.72 0.413 -0.00142 -0.04 0.4781 0.6646 3026939 ChemDiv3_007217 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCc4ccccc34)n2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I02 compound treatment 0.449 0.0278 0.88 0.42 0.00558 0.17 0.7359 0.8261 3118738 ChemDiv3_007218 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCCn4ccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I03 compound treatment 0.423 0.00184 0.06 0.389 -0.0254 -0.75 -0.4917 -0.6509 3026940 ChemDiv3_007219 Cc1cc(nc(SCc2ccc(o2)C(=O)O)n1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I04 compound treatment 0.379 -0.0422 -1.33 0.344 -0.0704 -2.09 -2.4129 -0.976 3118739 ChemDiv3_007220 COc1ccc(Br)cc1C(=O)N2Cc3cc(OC)c(OC)cc3C4(CCCC4)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I05 compound treatment 0.431 0.00984 0.31 0.394 -0.0204 -0.61 -0.2091 -0.3077 3026941 ChemDiv3_007221 CCSC1=C(C#N)C(=O)NC(S1)c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I06 compound treatment 0.417 -0.00416 -0.13 0.414 -4.19E-4 -0.01 -0.1013 -0.7708 3118740 ChemDiv3_007222 Clc1ccc(cc1)c2onc3cc(ccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I07 compound treatment 0.549 0.128 4.02 0.535 0.121 3.57 5.3688 0.9983 3026942 ChemDiv3_007223 O=C/1Nc2ccccc2\C1=C\C=C\c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I08 compound treatment 0.42 -0.00116 -0.04 0.37 -0.0444 -1.32 -0.9565 -0.7264 3118741 ChemDiv3_007224 CCCn1c2ccc(C)cc2c3nnc(SCCN4CCOCC4)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I09 compound treatment 0.405 -0.0162 -0.51 0.387 -0.0274 -0.81 -0.9338 -0.9745 3118742 ChemDiv3_007225 O=C(C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4)N5CCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I10 compound treatment 0.415 -0.00616 -0.19 0.37 -0.0444 -1.32 -1.0677 -0.8025 3026943 ChemDiv3_007226 CCC(=O)N1C(CC(=O)Nc2ccc(F)cc2)C(=O)NC3CCCCC31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I11 compound treatment 0.479 0.0578 1.82 0.456 0.0416 1.23 2.1572 0.982 1866671 ChemDiv3_007227 O=C1c2ccccc2-c3c(NCCc4ccccc4)c(=O)[nH]c5cccc1c35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I12 compound treatment 0.427 0.00584 0.18 0.409 -0.00542 -0.16 0.0163 0.0667 3118743 ChemDiv3_007228 COC(=O)C1=C(C)OC(=C(C#N)C1c2cc(C)cc(Cn3ccc(n3)C(F)(F)F)c2C)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I13 compound treatment 0.419 -0.00216 -0.07 0.415 5.81E-4 0.02 -0.0359 -0.5119 3026944 ChemDiv3_007229 Nc1cccc(c1)c2ccc(CO)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I14 compound treatment 0.456 0.0348 1.1 0.413 -0.00142 -0.04 0.7449 0.6795 3118744 ChemDiv3_007230 COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I15 compound treatment 0.411 -0.0102 -0.32 0.384 -0.0304 -0.9 -0.8633 -0.9027 3026945 ChemDiv3_007231 NS(=O)(=O)c1ccc(NC(=O)CCC2COc3ccccc3O2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I16 compound treatment 0.421 -1.61E-4 -0.01 0.394 -0.0204 -0.61 -0.4314 -0.713 1398603 ChemDiv3_007232 Nc1nonc1N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I17 compound treatment 0.405 -0.0162 -0.51 0.407 -0.00742 -0.22 -0.5148 -0.9297 3118745 ChemDiv3_007233 COc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I18 compound treatment 0.412 -0.00916 -0.29 0.4 -0.0144 -0.43 -0.5058 -0.9816 3026838 ChemDiv3_007234 CC1CC(=O)c2cnc(nc2C1)N3CCc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I19 compound treatment 0.422 8.39E-4 0.03 0.388 -0.0264 -0.78 -0.5349 -0.6829 3118881 ChemDiv3_007235 COC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)c3cccs3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I20 compound treatment 0.398 -0.0232 -0.73 0.385 -0.0294 -0.87 -1.1314 -0.996 3026840 ChemDiv3_007236 NC1=C(C#N)C(N=C2SCCN21)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I21 compound treatment 0.468 0.0468 1.47 0.459 0.0446 1.32 1.9755 0.9985 3118882 ChemDiv3_007237 CCc1cc(C(N2CCN(CCO)CC2)c3ccc(Cl)cc3)c(NC(=O)c4ccccc4)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I22 compound treatment 0.407 -0.0142 -0.45 0.396 -0.0184 -0.55 -0.7008 -0.9949 3026842 ChemDiv3_007238 CCCCN1C(=NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I23 mock treatment 0.408 -0.0132 -0.41 0.413 -0.00142 -0.04 -0.3224 -0.775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 I24 mock treatment 0.415 -0.00616 -0.19 0.407 -0.00742 -0.22 -0.2924 -0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J01 compound treatment 0.19 -0.231 -7.27 0.188 -0.226 -6.71 -9.8837 -0.9992 3026843 ChemDiv3_007239 Oc1ccc(CNc2cccc(c2)C(F)(F)F)c3cccnc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J02 compound treatment 0.416 -0.00516 -0.16 0.415 5.81E-4 0.02 -0.1026 -0.6286 3118883 ChemDiv3_007240 Oc1ccc(Cl)cc1/C=N/c2ccc3nc(SCC=C)sc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J03 compound treatment 0.119 -0.302 -9.5 0.123 -0.291 -8.64 -12.8242 -0.9989 1273454 ChemDiv3_007241 COc1ccc(cc1)C(N2CCOCC2)c3ccc4cccnc4c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J04 compound treatment 0.425 0.00384 0.12 0.427 0.0126 0.37 0.3489 0.8905 3026846 ChemDiv3_007242 O=C1CCCC(=O)C1=CNc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J05 compound treatment 0.418 -0.00316 -0.1 0.409 -0.00542 -0.16 -0.1838 -0.9734 3118884 ChemDiv3_007243 Cc1cccc(C)c1OCc2nnc(CCc3ccccc3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J06 compound treatment 0.413 -0.00816 -0.26 0.409 -0.00542 -0.16 -0.295 -0.9745 1651075 ChemDiv3_007244 O=C1N(N=C2CCCCCC2)C(Nc3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J07 compound treatment 0.411 -0.0102 -0.32 0.42 0.00558 0.17 -0.109 -0.303 3118885 ChemDiv3_007245 FC(F)(F)c1c(C#N)c(SCc2ccccc2Cl)nc3-c4ccoc4CCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J08 compound treatment 0.41 -0.0112 -0.35 0.395 -0.0194 -0.58 -0.655 -0.9719 1275637 ChemDiv3_007246 Fc1ccccc1C(=O)NCC(=O)NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J09 compound treatment 0.427 0.00584 0.18 0.41 -0.00442 -0.13 0.0372 0.165 3026850 ChemDiv3_007247 CC12CNC3(CO)CC2CCC13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J10 compound treatment 0.399 -0.0222 -0.7 0.414 -4.19E-4 -0.01 -0.5015 -0.7196 3118886 ChemDiv3_007248 O=C(CSc1nnc(c2cccnc2)n1c3ccccc3)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J11 compound treatment 0.424 0.00284 0.09 0.413 -0.00142 -0.04 0.0334 0.3383 3026852 ChemDiv3_007249 CCOC(=O)c1ccc2nc(nc(N3CCCCC3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J12 compound treatment 0.445 0.0238 0.75 0.435 0.0206 0.61 0.9612 0.9948 1632505 ChemDiv3_007250 COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J13 compound treatment 0.414 -0.00716 -0.23 0.394 -0.0204 -0.61 -0.5871 -0.9093 3118887 ChemDiv3_007251 Cc1cc2OC(=C(C#N)C(c3cccs3)c2c(=O)n1CC4CCCO4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J14 compound treatment 0.424 0.00284 0.09 0.409 -0.00542 -0.16 -0.0504 -0.2745 1147245 ChemDiv3_007252 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCC(CC4)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J15 compound treatment 0.446 0.0248 0.78 0.42 0.00558 0.17 0.6692 0.8382 3026904 ChemDiv3_007253 Oc1ccc(Nc2nc(N3CCOCC3)c4ccccc4n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J16 compound treatment 0.438 0.0168 0.53 0.432 0.0176 0.52 0.7428 1.0 3118888 ChemDiv3_007254 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCNC(=O)Cn3cnc4sc5CCCCc5c4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J17 compound treatment 0.426 0.00484 0.15 0.414 -4.19E-4 -0.01 0.0988 0.6472 3026906 ChemDiv3_007255 COC(=O)c1ccc(OP2(=O)COc3ccccc3OC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J18 compound treatment 0.459 0.0378 1.19 0.451 0.0366 1.08 1.6078 0.9989 3026908 ChemDiv3_007256 CCOC(=O)c1cnc2cc(ccc2c1N3CCCCCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J19 compound treatment 0.436 0.0148 0.47 0.418 0.00358 0.11 0.4049 0.8463 3118889 ChemDiv3_007257 Oc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J20 compound treatment 0.427 0.00584 0.18 0.411 -0.00342 -0.1 0.0582 0.2774 1384020 ChemDiv3_007258 O=C(N(C1CCCCC1)c2ccccc2)c3cnc4SCCn4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J21 compound treatment 0.413 -0.00816 -0.26 0.392 -0.0224 -0.66 -0.6512 -0.9144 3026911 ChemDiv3_007259 CSc1nc(=O)c(Cc2ccccc2)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J22 compound treatment 0.416 -0.00516 -0.16 0.418 0.00358 0.11 -0.0397 -0.2049 1518725 ChemDiv3_007260 COc1ccc(cc1)C(=O)NCCn2cc(SC(C)c3ccccc3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J23 mock treatment 0.416 -0.00516 -0.16 0.41 -0.00442 -0.13 -0.2074 -0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 J24 mock treatment 0.455 0.0338 1.06 0.417 0.00258 0.08 0.8064 0.756 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K01 compound treatment 0.425 0.00384 0.12 0.413 -0.00142 -0.04 0.0556 0.4351 1788828 ChemDiv3_007261 O=C(N1CCc2ccccc2C1)c3nc4ncccn4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K02 compound treatment 0.422 8.39E-4 0.03 0.399 -0.0154 -0.46 -0.3044 -0.6652 3118890 ChemDiv3_007262 CC(=O)Oc1cc2c(C(=O)N3CCCC3)c(C)oc2c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K03 compound treatment 0.408 -0.0132 -0.41 0.377 -0.0374 -1.11 -1.0767 -0.9097 3026914 ChemDiv3_007263 CCOC(=O)c1cnn2c(cc(C)nc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K04 compound treatment 0.45 0.0288 0.91 0.397 -0.0174 -0.52 0.2762 0.2647 3118891 ChemDiv3_007264 Nc1ccc2[nH]c(CCC(=O)O)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K05 compound treatment 0.431 0.00984 0.31 0.394 -0.0204 -0.61 -0.2091 -0.3077 1026774 ChemDiv3_007265 COc1ccc(cc1)[n+]2cc(O)on2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K06 compound treatment 0.425 0.00384 0.12 0.391 -0.0234 -0.69 -0.4053 -0.5755 3118892 ChemDiv3_007266 Cc1cc2C(=O)C(=C(C(=O)c2cc1C)c3ccccc3)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K07 compound treatment 0.467 0.0458 1.44 0.432 0.0176 0.52 1.3875 0.9054 3026917 ChemDiv3_007267 CCc1cccc2c(c[nH]c12)C(C(=O)c3ccccc3)c4c[nH]c5c(CC)cccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K08 compound treatment 0.407 -0.0142 -0.45 0.386 -0.0284 -0.84 -0.9103 -0.9556 3118893 ChemDiv3_007268 OCC1CCCN1CC2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K09 compound treatment 0.422 8.39E-4 0.03 0.388 -0.0264 -0.78 -0.5349 -0.6829 3118894 ChemDiv3_007269 CC(C)CNC(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K10 compound treatment 0.413 -0.00816 -0.26 0.382 -0.0324 -0.96 -0.8607 -0.8656 3026967 ChemDiv3_007270 Cn1c(=O)n(C)c2nc(ncc2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K11 compound treatment 0.457 0.0358 1.13 0.438 0.0236 0.7 1.2909 0.9736 1131768 ChemDiv3_007271 CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c5cccc([nH]c2=O)c53)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K12 compound treatment 0.453 0.0318 1.0 0.43 0.0156 0.46 1.0344 0.9382 3026969 ChemDiv3_007272 CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)NC1c3cc(C)ccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K13 compound treatment 0.423 0.00184 0.06 0.39 -0.0244 -0.72 -0.4708 -0.6485 3118895 ChemDiv3_007273 O=C1/C(=C/Nc2ccccc2c3nc4ccccc4c(=O)o3)/Sc5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K14 compound treatment 0.439 0.0178 0.56 0.417 0.00258 0.08 0.4507 0.7961 3026972 ChemDiv3_007274 O=C(CSc1nc2ccccc2nc1N3CCCC3)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K15 compound treatment 0.417 -0.00416 -0.13 0.399 -0.0154 -0.46 -0.4156 -0.8745 3118896 ChemDiv3_007275 NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K16 compound treatment 0.456 0.0348 1.1 0.445 0.0306 0.91 1.4153 0.9956 3118897 ChemDiv3_007276 CCN(CC)CCn1c(=N)n(Cc2ccc(cc2)C(C)(C)C)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K17 compound treatment 0.425 0.00384 0.12 0.394 -0.0204 -0.61 -0.3425 -0.5551 1582818 ChemDiv3_007277 CCC(=O)Nc1nonc1c2nc3ccccc3n2CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K18 compound treatment 0.409 -0.0122 -0.38 0.403 -0.0114 -0.34 -0.5097 -0.9981 3118898 ChemDiv3_007278 Cc1ccc(cc1)S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K19 compound treatment 0.434 0.0128 0.4 0.419 0.00458 0.14 0.3814 0.8956 3026975 ChemDiv3_007279 Cc1ccc(o1)C(O)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K20 compound treatment 0.413 -0.00816 -0.26 0.396 -0.0184 -0.55 -0.5674 -0.9408 3118899 ChemDiv3_007280 Cc1ccc(cc1)C2=NC(N=C3SCCN32)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K21 compound treatment 0.419 -0.00216 -0.07 0.398 -0.0164 -0.49 -0.3921 -0.7981 3026978 ChemDiv3_007281 CCOC(=O)C1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K22 compound treatment 0.401 -0.0202 -0.63 0.4 -0.0144 -0.43 -0.7504 -0.9816 3118900 ChemDiv3_007282 CCCCN1C(=O)NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K23 mock treatment 0.407 -0.0142 -0.45 0.403 -0.0114 -0.34 -0.5541 -0.9908 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 K24 mock treatment 0.431 0.00984 0.31 0.423 0.00858 0.25 0.3985 0.9953 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L01 compound treatment 0.481 0.0598 1.88 0.469 0.0546 1.62 2.4741 0.9972 1446827 ChemDiv3_007283 COc1ccc(cc1)C(N2CCOCC2)c3c(C)[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L02 compound treatment 0.403 -0.0182 -0.57 0.422 0.00758 0.22 -0.245 -0.3992 3026980 ChemDiv3_007284 COc1ccc(/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L03 compound treatment 0.454 0.0328 1.03 0.451 0.0366 1.08 1.4966 0.9997 3119027 ChemDiv3_007285 CC(=O)Nc1cccc(c1)C2=Nc3ccccc3SC(C2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L04 compound treatment 0.377 -0.0442 -1.39 0.373 -0.0414 -1.23 -1.8497 -0.9981 1408100 ChemDiv3_007286 Clc1ccc(cc1)C(=O)c2ccc(cc2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L05 compound treatment 0.421 -1.61E-4 -0.01 0.406 -0.00842 -0.25 -0.18 -0.7213 3027023 ChemDiv3_007287 COC(=O)CC1N(CCNC1=O)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L06 compound treatment 0.425 0.00384 0.12 0.425 0.0106 0.31 0.307 0.9139 3119028 ChemDiv3_007288 COc1ccc(cc1)/C(=N/N2C(Nc3ccccc3C2=O)c4ccccc4O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L07 compound treatment 0.413 -0.00816 -0.26 0.417 0.00258 0.08 -0.1274 -0.4757 3119029 ChemDiv3_007289 COC(=O)c1ccccc1NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L08 compound treatment 0.423 0.00184 0.06 0.421 0.00658 0.19 0.1788 0.8789 3027025 ChemDiv3_007290 Cc1cc2nc3s/c(=C/4\C(=O)N(CC(=O)O)c5ccccc45)/c(=O)n3c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L09 compound treatment 0.457 0.0358 1.13 0.445 0.0306 0.91 1.4376 0.9942 3119030 ChemDiv3_007291 Cc1ccc(NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L10 compound treatment 0.405 -0.0162 -0.51 0.405 -0.00942 -0.28 -0.5567 -0.9602 3027027 ChemDiv3_007292 COC(=O)Nc1ccc(cc1)C(=O)NCC2CCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L11 compound treatment 0.412 -0.00916 -0.29 0.407 -0.00742 -0.22 -0.3591 -0.9911 3119031 ChemDiv3_007293 CCOC(=O)c1ccc2nc(nc(NCc3ccc(Cl)cc3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L12 compound treatment 0.422 8.39E-4 0.03 0.405 -0.00942 -0.28 -0.1787 -0.6375 1631642 ChemDiv3_007294 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L13 compound treatment 0.414 -0.00716 -0.23 0.418 0.00358 0.11 -0.0842 -0.3383 3119032 ChemDiv3_007295 Cc1cc(O)cc(=O)n1Cc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L14 compound treatment 0.441 0.0198 0.62 0.426 0.0116 0.34 0.6837 0.9604 1665168 ChemDiv3_007296 COc1ccc(c(OC)c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NC4CCCC(C)C4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L15 compound treatment 0.47 0.0488 1.54 0.452 0.0376 1.11 1.8733 0.9875 3027031 ChemDiv3_007297 C1CCN(CC1)c2ncnc3c4ccccc4oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L16 compound treatment 0.457 0.0358 1.13 0.486 0.0716 2.12 2.2966 0.9562 1122672 ChemDiv3_007298 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)N(C)C4=C2C(=O)CC(C)(C)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L17 compound treatment 0.425 0.00384 0.12 0.415 5.81E-4 0.02 0.0975 0.7998 3027033 ChemDiv3_007299 Clc1ccc2nc(NP3(=O)COc4ccccc4O3)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L18 compound treatment 0.407 -0.0142 -0.45 0.42 0.00558 0.17 -0.1979 -0.4167 3119033 ChemDiv3_007300 CCOC(=O)c1cnc2cc(ccc2c1N3CC(C)CC(C)C3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L19 compound treatment 0.418 -0.00316 -0.1 0.403 -0.0114 -0.34 -0.3096 -0.8777 3027035 ChemDiv3_007301 CCC1(CC)C(=O)N(CC(=O)OC)C(=O)N(C)C1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L20 compound treatment 0.445 0.0238 0.75 0.43 0.0156 0.46 0.8565 0.9729 1630796 ChemDiv3_007302 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L21 compound treatment 0.419 -0.00216 -0.07 0.389 -0.0254 -0.75 -0.5807 -0.7678 3119034 ChemDiv3_007303 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4ccc(C)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L22 compound treatment 0.429 0.00784 0.25 0.424 0.00958 0.28 0.375 0.9975 1710843 ChemDiv3_007304 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L23 mock treatment 0.404 -0.0172 -0.54 0.392 -0.0224 -0.66 -0.8513 -0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 L24 mock treatment 0.431 0.00984 0.31 0.418 0.00358 0.11 0.2938 0.8983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M01 compound treatment 0.428 0.00684 0.22 0.403 -0.0114 -0.34 -0.0872 -0.2175 1183622 ChemDiv3_007305 O=C(NCc1ccccc1)c2nc3ncccn3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M02 compound treatment 0.431 0.00984 0.31 0.397 -0.0174 -0.52 -0.1462 -0.243 3119035 ChemDiv3_007306 COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(=O)C)c4ccccc34)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M03 compound treatment 0.407 -0.0142 -0.45 0.386 -0.0284 -0.84 -0.9103 -0.9556 3027121 ChemDiv3_007307 COc1cccc(c1)C2CC(n3ncc(C(=O)O)c3N2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M04 compound treatment 0.443 0.0218 0.69 0.397 -0.0174 -0.52 0.1206 0.1404 3119036 ChemDiv3_007308 Cc1ccc2[nH]c(CCCC(=O)O)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M05 compound treatment 0.414 -0.00716 -0.23 0.394 -0.0204 -0.61 -0.5871 -0.9093 3027123 ChemDiv3_007309 CCSC1=C(C#N)C(=O)NC(S1)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M06 compound treatment 0.419 -0.00216 -0.07 0.377 -0.0374 -1.11 -0.8321 -0.749 3119037 ChemDiv3_007310 O=C(Nc1ccccc1)C2CC(=O)n3ncnc3N2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M07 compound treatment 0.41 -0.0112 -0.35 0.379 -0.0354 -1.05 -0.9903 -0.8949 1057220 ChemDiv3_007311 OC(COc1ccccc1)Cn2ccccc2=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M08 compound treatment 0.411 -0.0102 -0.32 0.387 -0.0274 -0.81 -0.8004 -0.9168 3027125 ChemDiv3_007312 CC(=O)Nc1cccc(c1)c2nn3c(C)nnc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M09 compound treatment 0.44 0.0188 0.59 0.425 0.0106 0.31 0.6406 0.9557 3119038 ChemDiv3_007313 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCc4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M10 compound treatment 0.4 -0.0212 -0.67 0.39 -0.0244 -0.72 -0.9821 -0.9991 3027127 ChemDiv3_007314 COC(=O)c1c(C)ncc2COC(C)OCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M11 compound treatment 0.427 0.00584 0.18 0.41 -0.00442 -0.13 0.0372 0.165 3119039 ChemDiv3_007315 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c4ccc(Cl)cc4)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M12 compound treatment 0.413 -0.00816 -0.26 0.391 -0.0234 -0.69 -0.6722 -0.9085 3027129 ChemDiv3_007316 O=C(CSc1ccccn1)N2CCN(C2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M13 compound treatment 0.448 0.0268 0.84 0.436 0.0216 0.64 1.0489 0.9906 3119040 ChemDiv3_007317 CN(C)CCNC(=O)c1cc2ccccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M14 compound treatment 0.433 0.0118 0.37 0.407 -0.00742 -0.22 0.1078 0.2493 3119041 ChemDiv3_007318 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M15 compound treatment 0.454 0.0328 1.03 0.458 0.0436 1.29 1.6433 0.9939 3027131 ChemDiv3_007319 COCCn1c(nc(=S)c2COC(C)(C)Cc21)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M16 compound treatment 0.448 0.0268 0.84 0.439 0.0246 0.73 1.1118 0.9973 3027133 ChemDiv3_007320 Cn1c(=N)n(CCCOc2ccc(F)cc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M17 compound treatment 0.461 0.0398 1.25 0.442 0.0276 0.82 1.4637 0.9786 3119042 ChemDiv3_007321 Cc1ccn2cc(cc2c1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M18 compound treatment 0.424 0.00284 0.09 0.424 0.00958 0.28 0.2639 0.8866 3119043 ChemDiv3_007322 Cc1ccc2C(=O)NC(Nc2c1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M19 compound treatment 0.428 0.00684 0.22 0.416 0.00158 0.05 0.1852 0.8414 3027207 ChemDiv3_007323 CCOC(=O)c1ccc(Nc2nnc3n(CC=C)c(=O)c4c(C)c(C)sc4n23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M20 compound treatment 0.391 -0.0302 -0.95 0.362 -0.0524 -1.55 -1.7689 -0.972 3119044 ChemDiv3_007324 CC1=C(C#N)C(N=C(N1)c2ccncc2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M21 compound treatment 0.45 0.0288 0.91 0.443 0.0286 0.85 1.24 0.9994 3027209 ChemDiv3_007325 CC1CCN(CC1)C(=O)c2c(C)oc3C(=O)c4ccccc4C(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M22 compound treatment 0.382 -0.0392 -1.23 0.391 -0.0234 -0.69 -1.3614 -0.9632 3119045 ChemDiv3_007326 CC1=C(C#N)C(N=C(Cc2ccccc2)N1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M23 mock treatment 0.407 -0.0142 -0.45 0.411 -0.00342 -0.1 -0.3865 -0.8464 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 M24 mock treatment 0.435 0.0138 0.44 0.409 -0.00542 -0.16 0.1941 0.4186 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N01 compound treatment 0.461 0.0398 1.25 0.453 0.0386 1.14 1.6941 0.999 1651520 ChemDiv3_007327 COc1ccc(cc1)C(OC(=O)c2ccccc2)c3nccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N02 compound treatment 0.404 -0.0172 -0.54 0.402 -0.0124 -0.37 -0.6418 -0.9826 1505116 ChemDiv3_007328 Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N03 compound treatment 0.403 -0.0182 -0.57 0.409 -0.00542 -0.16 -0.5173 -0.8721 3119046 ChemDiv3_007329 CC(=O)N1CN(Cc2c3CCCCc3sc12)C4CCS(=O)(=O)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N04 compound treatment 0.405 -0.0162 -0.51 0.397 -0.0174 -0.52 -0.7243 -1.0 1135097 ChemDiv3_007330 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2ccc(C)c(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N05 compound treatment 0.471 0.0498 1.57 0.463 0.0486 1.44 2.126 0.9991 3119047 ChemDiv3_007331 Oc1ccc(NC(=O)CN2CC(=O)Oc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N06 compound treatment 0.437 0.0158 0.5 0.422 0.00758 0.22 0.511 0.9353 3027214 ChemDiv3_007332 CCOC(=O)C1=C(NC(=S)NC1CC)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N07 compound treatment 0.418 -0.00316 -0.1 0.424 0.00958 0.28 0.1305 0.4337 3119048 ChemDiv3_007333 CC(C)(C)NC(=O)c1ccc(cc1)n2nc(c3CCc4occc4-c32)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N08 compound treatment 0.425 0.00384 0.12 0.418 0.00358 0.11 0.1604 0.9979 3119179 ChemDiv3_007334 CCc1nnc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N09 compound treatment 0.428 0.00684 0.22 0.417 0.00258 0.08 0.2061 0.9032 3027218 ChemDiv3_007335 OC(=O)c1nn(c-2c1CCc3occc32)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N10 compound treatment 0.432 0.0108 0.34 0.434 0.0196 0.58 0.6513 0.9678 3119180 ChemDiv3_007336 COc1ccc(NC(=C2C(=O)CC(C)(C)CC2=O)CCCN3C(=O)c4ccccc4C3=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N11 compound treatment 0.41 -0.0112 -0.35 0.417 0.00258 0.08 -0.1941 -0.5404 3027294 ChemDiv3_007337 CCOC(=O)c1ccc2nc(nc(NCCc3ccc(OC)cc3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N12 compound treatment 0.426 0.00484 0.15 0.468 0.0536 1.59 1.2302 0.7713 1740813 ChemDiv3_007338 COc1ccc(cc1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCN(CC4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N13 compound treatment 0.439 0.0178 0.56 0.442 0.0276 0.82 0.9745 0.9831 3027297 ChemDiv3_007339 COc1ccc(Cn2c(C)cc(O)cc2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N14 compound treatment 0.464 0.0428 1.35 0.456 0.0416 1.23 1.8237 0.999 1296230 ChemDiv3_007340 Cc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N15 compound treatment 0.445 0.0238 0.75 0.433 0.0186 0.55 0.9193 0.9885 3027299 ChemDiv3_007341 OCn1c2CCCCc2c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N16 compound treatment 0.417 -0.00416 -0.13 0.419 0.00458 0.14 0.0035 0.0183 3119181 ChemDiv3_007342 Cc1ccc(cc1C)N2C3=C(C(C4=C2CC(C)(C)CC4=O)c5cccs5)C(=O)CC(C)(C)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N17 compound treatment 0.397 -0.0242 -0.76 0.415 5.81E-4 0.02 -0.525 -0.6909 3027303 ChemDiv3_007343 Brc1ccc(cc1)C(=O)C(C(=O)N2CCCCC2)n3ccccc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N18 compound treatment 0.432 0.0108 0.34 0.453 0.0386 1.14 1.0494 0.8796 3119182 ChemDiv3_007344 CCOC(=O)c1cnc2c(OC)cccc2c1NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N19 compound treatment 0.417 -0.00416 -0.13 0.412 -0.00242 -0.07 -0.1432 -0.9599 3027305 ChemDiv3_007345 CCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N20 compound treatment 0.417 -0.00416 -0.13 0.425 0.0106 0.31 0.1292 0.3802 1741518 ChemDiv3_007346 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC(C)C4)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N21 compound treatment 0.404 -0.0172 -0.54 0.413 -0.00142 -0.04 -0.4113 -0.7599 3027307 ChemDiv3_007347 COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N22 compound treatment 0.386 -0.0352 -1.11 0.396 -0.0184 -0.55 -1.1677 -0.9471 1286138 ChemDiv3_007348 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N23 mock treatment 0.404 -0.0172 -0.54 0.409 -0.00542 -0.16 -0.4951 -0.8794 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 N24 mock treatment 0.434 0.0128 0.4 0.433 0.0186 0.55 0.6748 0.9884 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O01 compound treatment 0.46 0.0388 1.22 0.432 0.0176 0.52 1.2319 0.9278 1788832 ChemDiv3_007349 O=C(N(Cc1ccccc1)Cc2ccccc2)c3nc4ncccn4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O02 compound treatment 0.414 -0.00716 -0.23 0.387 -0.0274 -0.81 -0.7337 -0.8703 3119183 ChemDiv3_007350 COc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccc4cccnc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O03 compound treatment 0.418 -0.00316 -0.1 0.416 0.00158 0.05 -0.0372 -0.3383 3027446 ChemDiv3_007351 COc1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O04 compound treatment 0.418 -0.00316 -0.1 0.41 -0.00442 -0.13 -0.1629 -0.9908 3119184 ChemDiv3_007352 OC(=O)c1ccc2[nH]c(CCc3nc4cc(ccc4[nH]3)C(=O)O)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O05 compound treatment 0.405 -0.0162 -0.51 0.375 -0.0394 -1.17 -1.1853 -0.9305 3027447 ChemDiv3_007353 CCSC1=C(C#N)C(=O)NCS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O06 compound treatment 0.439 0.0178 0.56 0.418 0.00358 0.11 0.4716 0.8262 3119185 ChemDiv3_007354 Clc1ccccc1C2N=C(Nc3nc4ccccc4s3)NC5=C2C(=O)CCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O07 compound treatment 0.43 0.00884 0.28 0.403 -0.0114 -0.34 -0.0427 -0.0976 3027478 ChemDiv3_007355 COc1ccc(cc1)C2=Cc3ccccc3C(C)(C)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O08 compound treatment 0.513 0.0918 2.89 0.393 -0.0214 -0.63 1.5931 0.5388 3119186 ChemDiv3_007356 CC1(C)CC(=O)C2=C(C1)NCN(Cc3ccc4OCOc4c3)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O09 compound treatment 0.44 0.0188 0.59 0.42 0.00558 0.17 0.5358 0.8712 3119187 ChemDiv3_007357 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)Nc4ccccc4C(F)(F)F)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O10 compound treatment 0.429 0.00784 0.25 0.396 -0.0184 -0.55 -0.2116 -0.3534 3027482 ChemDiv3_007358 CCCC[N+]1(C)C2CCC1CC(O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O11 compound treatment 0.432 0.0108 0.34 0.399 -0.0154 -0.46 -0.0821 -0.144 3027483 ChemDiv3_007359 OCCNS(=O)(=O)c1cccc2cccnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O12 compound treatment 0.434 0.0128 0.4 0.422 0.00758 0.22 0.4443 0.9617 3119188 ChemDiv3_007360 Cc1ccc2oc(c(CN3CCOCC3)c(=O)c2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O13 compound treatment 0.43 0.00884 0.28 0.408 -0.00642 -0.19 0.062 0.1841 3027487 ChemDiv3_007361 CCCN1CC2CCCC3(C1)C(=O)NC4(CCCCC4)N=C23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O14 compound treatment 0.436 0.0148 0.47 0.407 -0.00742 -0.22 0.1745 0.3383 3119189 ChemDiv3_007362 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O15 compound treatment 0.461 0.0398 1.25 0.437 0.0226 0.67 1.3589 0.9569 3119190 ChemDiv3_007363 Sc1ncnc2c1sc3nc(N4CCOCC4)c5CCCCc5c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O16 compound treatment 0.479 0.0578 1.82 0.469 0.0546 1.62 2.4296 0.9983 3027489 ChemDiv3_007364 CCn1c(=N)n(CCCOc2ccc(Br)cc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O17 compound treatment 0.43 0.00884 0.28 0.401 -0.0134 -0.4 -0.0847 -0.1745 3119191 ChemDiv3_007365 COc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O18 compound treatment 0.435 0.0138 0.44 0.442 0.0276 0.82 0.8856 0.9565 3027491 ChemDiv3_007366 CN(C)C1=NC(N=C(C)O1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O19 compound treatment 0.425 0.00384 0.12 0.417 0.00258 0.08 0.1394 0.9757 3119192 ChemDiv3_007367 CN(CCO)C(=O)c1ccc-2c(c1)C(=O)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O20 compound treatment 0.432 0.0108 0.34 0.421 0.00658 0.19 0.3789 0.9649 3027493 ChemDiv3_007368 FC(F)(F)C1(C2CC(C=C2)N1C(=O)c3ccncc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O21 compound treatment 0.48 0.0588 1.85 0.48 0.0656 1.94 2.6823 0.9997 3119193 ChemDiv3_007369 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)N4CCc5ccccc5C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O22 compound treatment 0.125 -0.296 -9.31 0.125 -0.289 -8.58 -12.6489 -0.9992 1582951 ChemDiv3_007370 CCN1CCN(CC1)C(c2cccnc2)c3ccc4cccnc4c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O23 mock treatment 0.434 0.0128 0.4 0.435 0.0206 0.61 0.7167 0.9799 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 O24 mock treatment 0.44 0.0188 0.59 0.456 0.0416 1.23 1.2901 0.9437 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P01 compound treatment 0.515 0.0938 2.95 0.506 0.0916 2.71 4.0053 0.9991 1619302 ChemDiv3_007371 Cc1[nH]c2ccccc2c1C(Nc3cc(C)ccn3)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P02 compound treatment 0.472 0.0508 1.6 0.471 0.0566 1.68 2.3159 0.9997 3119194 ChemDiv3_007372 Cc1ccc2NC(C3CC=CC3c2c1)c4ccc(/N=C/c5ccccc5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P03 compound treatment 0.445 0.0238 0.75 0.451 0.0366 1.08 1.2965 0.9838 3027529 ChemDiv3_007373 CC(=O)N1CN(CCCn2ccnc2)Cc3c4CCCCc4sc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P04 compound treatment 0.436 0.0148 0.47 0.457 0.0426 1.26 1.2221 0.9085 3027531 ChemDiv3_007374 O=S(=O)(Nc1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P05 compound treatment 0.397 -0.0242 -0.76 0.394 -0.0204 -0.61 -0.965 -0.9936 3119195 ChemDiv3_007375 Fc1ccc(cc1)N2CCN(CC2)C(=O)CN3CC(=O)Oc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P06 compound treatment 0.491 0.0698 2.2 0.485 0.0706 2.09 3.0316 0.9997 1922912 ChemDiv3_007376 OC(CC(=O)/C=C/c1ccccc1)(c2ccccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P07 compound treatment 0.424 0.00284 0.09 0.437 0.0226 0.67 0.5362 0.7944 3027533 ChemDiv3_007377 COC(=O)c1oc2CC(C)(C)c3nc4ccccc4nc3-c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P08 compound treatment 0.449 0.0278 0.88 0.478 0.0636 1.88 1.9511 0.9392 1600357 ChemDiv3_007378 CCc1ccc(cc1)N2NC(=O)C(=C(C)C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P09 compound treatment 0.429 0.00784 0.25 0.433 0.0186 0.55 0.5636 0.9343 3119196 ChemDiv3_007379 Cc1ccc(Sc2sc(=O)n(C)c2S(=O)(=O)c3ccc(C)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P10 compound treatment 0.423 0.00184 0.06 0.449 0.0346 1.02 0.7654 0.7458 1389317 ChemDiv3_007380 S=C(NCCc1ccccc1)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P11 compound treatment 0.425 0.00384 0.12 0.443 0.0286 0.85 0.6842 0.7998 3119197 ChemDiv3_007381 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1Cc4ccccn4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P12 compound treatment 0.444 0.0228 0.72 0.431 0.0166 0.49 0.8552 0.9829 1520017 ChemDiv3_007382 O=C(NCC1CCCO1)c2ccc3c(=O)n(c4ccccc4)c(=S)[nH]c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P13 compound treatment 0.44 0.0188 0.59 0.457 0.0426 1.26 1.311 0.9406 3027536 ChemDiv3_007383 COc1ccc(CCn2c(C)cc(O)cc2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P14 compound treatment 0.446 0.0248 0.78 0.461 0.0466 1.38 1.5283 0.9636 1672880 ChemDiv3_007384 COc1ccc(CCNC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P15 compound treatment 0.442 0.0208 0.66 0.457 0.0426 1.26 1.3555 0.9534 3027538 ChemDiv3_007385 O=C1CCC(=O)N1CCOP2(=O)COc3ccccc3OC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P16 compound treatment 0.461 0.0398 1.25 0.48 0.0656 1.94 2.2599 0.9774 3119321 ChemDiv3_007386 CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4cccc(F)c4)C(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P17 compound treatment 0.403 -0.0182 -0.57 0.405 -0.00942 -0.28 -0.6012 -0.9458 3027592 ChemDiv3_007387 Oc1ccccc1CNCc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P18 compound treatment 0.479 0.0578 1.82 0.476 0.0616 1.82 2.5763 1.0 3119322 ChemDiv3_007388 CCOC(=O)c1cnc2c(OC)cccc2c1N3CCC4(CC3)OCCO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P19 compound treatment 0.464 0.0428 1.35 0.453 0.0386 1.14 1.7608 0.9967 1582507 ChemDiv3_007389 CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P20 compound treatment 0.448 0.0268 0.84 0.431 0.0166 0.49 0.9441 0.9669 3119323 ChemDiv3_007390 COC(=O)c1ccc2n(C)/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P21 compound treatment 0.411 -0.0102 -0.32 0.433 0.0186 0.55 0.1634 0.2567 1257313 ChemDiv3_007391 O=C1N(CCSC(=S)N2CCSCC2)Cc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P22 compound treatment 0.449 0.0278 0.88 0.452 0.0376 1.11 1.4064 0.9929 1190401 ChemDiv3_007392 Cc1cccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c4ccccc24)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P23 mock treatment 0.457 0.0358 1.13 0.438 0.0236 0.7 1.2909 0.9736 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2021 P24 mock treatment 0.503 0.0818 2.57 0.488 0.0736 2.18 3.3613 0.9966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A01 compound treatment 0.454 0.0326 1.02 0.488 0.0421 1.25 1.606 0.9952 3063199 Maybridge4_000353 O=C1CCc2cc(ccc2N1)C3=CSC4=NCCN34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A02 compound treatment 0.451 0.0296 0.93 0.512 0.0661 1.96 2.0422 0.942 3178435 Maybridge4_000354 CC1(C)OC(=O)C(C2C3CC4CC(C3)CC2C4)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A03 compound treatment 0.452 0.0306 0.96 0.474 0.0281 0.83 1.2682 0.9974 3178436 Maybridge4_000355 Cc1nc(cs1)c2cc(C#N)c(SCCNC(=O)c3ccc(Cl)cc3Cl)nc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A04 compound treatment 0.456 0.0346 1.09 0.466 0.0201 0.6 1.1895 0.9599 1602887 Maybridge4_000356 CC1(C)Oc2c(C=C1)c3c(=O)cc(oc3c4ccoc24)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A05 compound treatment 0.42 -0.00144 -0.05 0.456 0.0101 0.3 0.1796 0.5935 3063200 Maybridge4_000357 COc1cc(OC)nc(/N=C/N(C)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A06 compound treatment 0.433 0.0116 0.36 0.448 0.0021 0.06 0.301 0.8161 3178437 Maybridge4_000358 CC1(C)CN=C(NC2CCCCC2)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A07 compound treatment 0.424 0.00256 0.08 0.439 -0.0069 -0.2 -0.0877 -0.3988 3178438 Maybridge4_000359 COc1ccc(CCC(=O)CCc2ccc(OC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A08 compound treatment 0.439 0.0176 0.55 0.426 -0.0199 -0.59 -0.0265 -0.0329 3063201 Maybridge4_000360 COc1ccccc1OC(=O)NC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A09 compound treatment 0.46 0.0386 1.21 0.46 0.0141 0.42 1.1528 0.8989 3178439 Maybridge4_000361 CCOC(=O)c1ccc(cc1)C(=S)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A10 compound treatment 0.451 0.0296 0.93 0.442 -0.0039 -0.12 0.5755 0.6144 1174208 Maybridge4_000362 CCC1(CCCCN(C)C1=O)c2cccc(OC(=O)C3CCCCC3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A11 compound treatment 0.44 0.0186 0.58 0.429 -0.0169 -0.5 0.0585 0.0761 3063202 Maybridge4_000363 CN(C)Cc1c(C)cc(C)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A12 compound treatment 0.432 0.0106 0.33 0.43 -0.0159 -0.47 -0.0984 -0.1706 1469863 Maybridge4_000364 O=C(Nc1nc(cs1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A13 compound treatment 0.429 0.00756 0.24 0.427 -0.0189 -0.56 -0.2279 -0.3746 1002608 Maybridge4_000365 CCOC(=O)c1cnc(S)nc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A14 compound treatment 0.427 0.00556 0.17 0.421 -0.0249 -0.74 -0.3981 -0.525 1583969 Maybridge4_000366 Clc1cccc(c1)C(=O)NC2CN3CCC2CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A15 compound treatment 0.468 0.0466 1.46 0.466 0.0201 0.6 1.4563 0.9214 3063203 Maybridge4_000367 COc1cc(C#N)c2ccc3ccccc3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A16 compound treatment 0.44 0.0186 0.58 0.42 -0.0259 -0.77 -0.13 -0.1348 3178440 Maybridge4_000368 CCNC(=Nc1ccc(Cl)cc1)NCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A17 compound treatment 0.422 5.62E-4 0.02 0.417 -0.0289 -0.86 -0.5931 -0.6924 1368926 Maybridge4_000369 CC(=O)OCc1ccccc1Sc2ccccc2C(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A18 compound treatment 0.411 -0.0104 -0.33 0.402 -0.0439 -1.3 -1.152 -0.8586 1219932 Maybridge4_000370 C1C=C(Nc2nnnn12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A19 compound treatment 0.427 0.00556 0.17 0.419 -0.0269 -0.8 -0.44 -0.5391 1528436 Maybridge4_000371 Cn1c(nc2ccccc12)N3C(=O)c4cccc5cccc(C3=O)c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A20 compound treatment 0.4 -0.0214 -0.67 0.411 -0.0349 -1.03 -1.208 -0.9785 1375750 Maybridge4_000372 CC1(CC2CC3(C)C1)CC(C2)(C3)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A21 compound treatment 0.398 -0.0234 -0.74 0.4 -0.0459 -1.36 -1.4829 -0.9586 1405005 Maybridge4_000373 O=c1nc2sc3ccccc3n2c(=O)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A22 compound treatment 0.463 0.0416 1.31 0.426 -0.0199 -0.59 0.5071 0.3537 3063251 Maybridge4_000374 C/S(=N\S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A23 mock treatment 0.417 -0.00444 -0.14 0.449 0.0031 0.09 -0.0338 -0.2023 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 A24 mock treatment 0.408 -0.0134 -0.42 0.41 -0.0359 -1.06 -1.051 -0.9182 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B01 compound treatment 0.428 0.00656 0.21 0.485 0.0391 1.16 0.9651 0.8201 3063252 Maybridge4_000375 C1CN(C1)C(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B02 compound treatment 0.415 -0.00644 -0.2 0.459 0.0131 0.39 0.1313 0.2999 3063253 Maybridge4_000376 CC1CCC(C)N1c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B03 compound treatment 0.417 -0.00444 -0.14 0.433 -0.0129 -0.38 -0.369 -0.9067 3063254 Maybridge4_000377 Cc1ccc(cc1)S(=O)(=O)C[C@H]2O[C@H](C[C@@H]2O)n3cc(I)c(=O)[nH]c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B04 compound treatment 0.444 0.0226 0.71 0.462 0.0161 0.48 0.8389 0.9813 3063255 Maybridge4_000378 C/C(=N\O)/c1cc(Cl)cc(Cl)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B05 compound treatment 0.414 -0.00744 -0.23 0.427 -0.0189 -0.56 -0.5614 -0.925 3063256 Maybridge4_000379 CCN(CC)Cc1c(C)c(C)c(C)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B06 compound treatment 0.451 0.0296 0.93 0.478 0.0321 0.95 1.3298 0.9999 3178441 Maybridge4_000380 Oc1c(Cl)cc(Cl)cc1C2Nc3cc(ccc3-n4cccc24)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B07 compound treatment 0.389 -0.0324 -1.02 0.362 -0.0839 -2.49 -2.4792 -0.9226 1227211 Maybridge4_000381 CCC(C)(C)NC(=S)Nc1cccc(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B08 compound treatment 0.433 0.0116 0.36 0.442 -0.0039 -0.12 0.1753 0.4595 3178442 Maybridge4_000382 Cc1c(C)c(C)c2[nH]c(SCc3nc(no3)c4ccc(Cl)cc4)nc2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B09 compound treatment 0.452 0.0306 0.96 0.457 0.0111 0.33 0.912 0.8979 3063257 Maybridge4_000383 CSC1=C(C#N)C(=O)NC(S1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B10 compound treatment 0.418 -0.00344 -0.11 0.423 -0.0229 -0.68 -0.5563 -0.8095 3178443 Maybridge4_000384 C/C(=N\Cc1ccccc1)/c2c(C)cc(C)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B11 compound treatment 0.443 0.0216 0.68 0.455 0.0091 0.27 0.67 0.9183 1417340 Maybridge4_000385 COc1cc(cc(OC)c1OC)C2Nc3ccccc3S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B12 compound treatment 0.45 0.0286 0.9 0.449 0.0031 0.09 0.6999 0.7753 1464378 Maybridge4_000386 N#CC1CN(CCc2ccccc2)CN(CCc3ccccc3)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B13 compound treatment 0.402 -0.0194 -0.61 0.414 -0.0319 -0.95 -1.1006 -0.9777 1213608 Maybridge4_000387 COc1cc(CO)c(CC(=O)NN)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B14 compound treatment 0.437 0.0156 0.49 0.431 -0.0149 -0.44 0.0338 0.0512 1103050 Maybridge4_000388 CC1(C)OC(=O)C(=Cc2ccc[nH]2)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B15 compound treatment 0.451 0.0296 0.93 0.449 0.0031 0.09 0.7222 0.7732 1559616 Maybridge4_000389 COc1cc(OC)cc(c1)c2nc(N)c3c(C)c(sc3n2)c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B16 compound treatment 0.42 -0.00144 -0.05 0.427 -0.0189 -0.56 -0.428 -0.7617 1513039 Maybridge4_000390 Cc1onc(c1NC(=O)N2CCCC2=O)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B17 compound treatment 0.408 -0.0134 -0.42 0.417 -0.0289 -0.86 -0.9044 -0.947 1918178 Maybridge4_000391 Cc1ccc(NC(=O)C2C(C3CC2C=C3)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B18 compound treatment 0.433 0.0116 0.36 0.452 0.0061 0.18 0.3848 0.9479 3178444 Maybridge4_000392 CS/C(=N\c1ccccc1C(F)(F)F)/N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B19 compound treatment 0.448 0.0266 0.84 0.431 -0.0149 -0.44 0.2783 0.2946 3178445 Maybridge4_000393 CCOC(=O)c1nc2ccccc2c(=O)n1/N=C/c3cc(Cl)cc(Cl)c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B20 compound treatment 0.394 -0.0274 -0.86 0.408 -0.0379 -1.12 -1.4042 -0.9915 3063259 Maybridge4_000394 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B21 compound treatment 0.433 0.0116 0.36 0.383 -0.0629 -1.86 -1.0609 -0.5587 3063260 Maybridge4_000395 CSC(=NS(=O)(=O)c1ccccc1)SC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B22 compound treatment 0.394 -0.0274 -0.86 0.452 0.0061 0.18 -0.4823 -0.5472 1232359 Maybridge4_000396 Cc1onc(c1C(=O)ON2C(=O)CCC2=O)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B23 mock treatment 0.41 -0.0114 -0.36 0.429 -0.0169 -0.5 -0.6085 -0.9868 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 B24 mock treatment 0.425 0.00356 0.11 0.458 0.0121 0.36 0.3327 0.8858 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C01 compound treatment 0.431 0.00956 0.3 0.465 0.0191 0.57 0.6127 0.9562 3063261 Maybridge4_000397 CN(C(=O)COc1cc(n(C)n1)C(F)(F)F)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C02 compound treatment 0.41 -0.0114 -0.36 0.435 -0.0109 -0.32 -0.4828 -0.9986 1015362 Maybridge4_000398 CCOC(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C03 compound treatment 0.409 -0.0124 -0.39 0.419 -0.0269 -0.8 -0.8402 -0.9463 1410184 Maybridge4_000399 Cc1ccc(Oc2ncccc2NC(=O)c3ccc(Cl)cc3Cl)c4CCCc41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C04 compound treatment 0.405 -0.0164 -0.52 0.407 -0.0389 -1.15 -1.1806 -0.9345 1430911 Maybridge4_000400 OC(=O)CCC(=O)c1ccc2OCCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C05 compound treatment 0.399 -0.0224 -0.71 0.417 -0.0289 -0.86 -1.1045 -0.9954 3063262 Maybridge4_000401 COc1cc(OC)nc(N/C=N/O)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C06 compound treatment 0.418 -0.00344 -0.11 0.421 -0.0249 -0.74 -0.5982 -0.8021 1594886 Maybridge4_000402 Cn1c(=O)cc(Nc2ccccc2)c3c(=O)n(c4ccccc4)c(=O)n(c5ccccc5)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C07 compound treatment 0.472 0.0506 1.59 0.465 0.0191 0.57 1.5243 0.9033 3063263 Maybridge4_000403 OC(=O)c1cc(=O)c2c(O)cccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C08 compound treatment 0.399 -0.0224 -0.71 0.405 -0.0409 -1.21 -1.3559 -0.9668 3063264 Maybridge4_000404 CC(C)NC(=O)Oc1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C09 compound treatment 0.405 -0.0164 -0.52 0.406 -0.0399 -1.18 -1.2015 -0.9311 3178446 Maybridge4_000405 COC(=O)c1ccc(cc1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C10 compound treatment 0.407 -0.0144 -0.45 0.417 -0.0289 -0.86 -0.9266 -0.9559 1676301 Maybridge4_000406 COC(=O)C1C(NC(C(C(=O)OC)S1(=O)=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C11 compound treatment 0.386 -0.0354 -1.11 0.39 -0.0559 -1.66 -1.9592 -0.9814 3063265 Maybridge4_000407 O=C1CC(=NN1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C12 compound treatment 0.445 0.0236 0.74 0.441 -0.0049 -0.15 0.4212 0.5578 1343081 Maybridge4_000408 CC(C1CC1)N(C(=O)c2cc(C)c(Cl)cc2Cl)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C13 compound treatment 0.459 0.0376 1.18 0.442 -0.0039 -0.12 0.7534 0.6348 1138226 Maybridge4_000409 COc1ccc2c(c1)nnc3n[nH]c(=O)n32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C14 compound treatment 0.408 -0.0134 -0.42 0.413 -0.0329 -0.97 -0.9882 -0.93 1419670 Maybridge4_000410 OC(=O)CNC(=O)CSc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C15 compound treatment 0.408 -0.0134 -0.42 0.419 -0.0269 -0.8 -0.8625 -0.9559 3063266 Maybridge4_000411 CC1=C(C#N)C(C(=C(C)N1)C#N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C16 compound treatment 0.401 -0.0204 -0.64 0.406 -0.0399 -1.18 -1.2905 -0.9589 3178530 Maybridge4_000412 CCC1(CCCCN(C)C1=O)c2cccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C17 compound treatment 0.423 0.00156 0.05 0.423 -0.0229 -0.68 -0.4451 -0.6542 1346230 Maybridge4_000413 N#Cc1cccc2cccc(Sc3ccccc3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C18 compound treatment 0.409 -0.0124 -0.39 0.414 -0.0319 -0.95 -0.945 -0.9237 1555561 Maybridge4_000414 COc1ccc(OC)c(CCCc2cc(OC)ccc2OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C19 compound treatment 0.42 -0.00144 -0.05 0.42 -0.0259 -0.77 -0.5747 -0.7475 3063267 Maybridge4_000415 CCN(CC)C(=O)Nc1ccc(OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C20 compound treatment 0.404 -0.0174 -0.55 0.405 -0.0409 -1.21 -1.2447 -0.9357 1920088 Maybridge4_000416 S=c1nc(c2ccco2)n(Cc3ccccc3)c(=S)n1/C(=N/Cc4ccccc4)/c5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C21 compound treatment 0.413 -0.00844 -0.27 0.465 0.0191 0.57 0.2125 0.3401 3178531 Maybridge4_000417 FC(F)(F)c1cccc(c1)c2nc3ccccn3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C22 compound treatment 0.467 0.0456 1.43 0.467 0.0211 0.63 1.4551 0.9309 3178532 Maybridge4_000418 O=C(/C=C\1/NN=C(NC1=O)c2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C23 mock treatment 0.401 -0.0204 -0.64 0.48 0.0341 1.01 0.26 0.2171 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 C24 mock treatment 0.416 -0.00544 -0.17 0.436 -0.0099 -0.29 -0.3284 -0.9669 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D01 compound treatment 0.429 0.00756 0.24 0.449 0.0031 0.09 0.233 0.9143 3178533 Maybridge4_000419 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3NC(=O)[C@H]([C@@H]3c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D02 compound treatment 0.443 0.0216 0.68 0.464 0.0181 0.54 0.8586 0.9933 3063268 Maybridge4_000420 FC(F)(F)c1cc(c(Br)c(c1Br)n2cccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D03 compound treatment 0.401 -0.0204 -0.64 0.409 -0.0369 -1.09 -1.2276 -0.9679 1316662 Maybridge4_000421 Clc1ccc(NC(=S)NC(Cn2ccnc2)c3ccccc3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D04 compound treatment 0.411 -0.0104 -0.33 0.419 -0.0269 -0.8 -0.7958 -0.9231 1725083 Maybridge4_000422 Cc1c(N)c2c(cc1N3CCCC3)C(C)(C)CC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D05 compound treatment 0.416 -0.00544 -0.17 0.425 -0.0209 -0.62 -0.5589 -0.8698 1718122 Maybridge4_000423 C1c2sc(Nc3ccccc3)nc2-c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D06 compound treatment 0.41 -0.0114 -0.36 0.414 -0.0319 -0.95 -0.9228 -0.9123 3178534 Maybridge4_000424 FC(F)(F)c1cc(cc(c1)S(=O)(=O)N=C2NCCCN2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D07 compound treatment 0.406 -0.0154 -0.49 0.406 -0.0399 -1.18 -1.1793 -0.9227 1138900 Maybridge4_000425 CC(C)(C)NC(=O)NCc1ccncc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D08 compound treatment 0.413 -0.00844 -0.27 0.404 -0.0419 -1.24 -1.0656 -0.8392 3178535 Maybridge4_000426 FC(F)(F)c1cc(NCN2C(=O)CCC2=O)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D09 compound treatment 0.406 -0.0154 -0.49 0.408 -0.0379 -1.12 -1.1374 -0.9296 3178536 Maybridge4_000427 COc1cccc(NC2=C(C#N)C(=O)NC(S2)c3cccc(OC)c3O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D10 compound treatment 0.4 -0.0214 -0.67 0.405 -0.0409 -1.21 -1.3337 -0.9616 3063269 Maybridge4_000428 Clc1ccc(cc1)S(=O)(=O)CS(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D11 compound treatment 0.487 0.0656 2.06 0.483 0.0371 1.1 2.235 0.9566 1023491 Maybridge4_000429 Oc1ccc(Br)cc1C2Nc3ccccc3S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D12 compound treatment 0.41 -0.0114 -0.36 0.412 -0.0339 -1.0 -0.9647 -0.9041 3178537 Maybridge4_000430 C/C(=N\O)/c1nnn(c1C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D13 compound treatment 0.426 0.00456 0.14 0.422 -0.0239 -0.71 -0.3994 -0.5527 1381610 Maybridge4_000431 CC1(C)C2CCC(C2)C1(C)NC(=S)NCC3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D14 compound treatment 0.441 0.0196 0.62 0.436 -0.0099 -0.29 0.2275 0.3337 3178538 Maybridge4_000432 FC(F)(F)c1cccc(CS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D15 compound treatment 0.401 -0.0204 -0.64 0.407 -0.0389 -1.15 -1.2695 -0.9619 1650135 Maybridge4_000433 Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NCc3cccnc3)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D16 compound treatment 0.441 0.0196 0.62 0.441 -0.0049 -0.15 0.3322 0.5256 1002759 Maybridge4_000434 OC(C(O)C(O)c1nc2ccccc2[nH]1)C(O)c3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D17 compound treatment 0.498 0.0766 2.41 0.432 -0.0139 -0.41 1.411 0.5777 1658002 Maybridge4_000435 Cc1c(C)c(C)c(CSC2CC(=O)N(C2=O)c3ccccc3)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D18 compound treatment 0.408 -0.0134 -0.42 0.404 -0.0419 -1.24 -1.1768 -0.8972 3062531 Maybridge4_000436 Clc1ccc(cc1Cl)S(=O)(=O)NC(=N)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D19 compound treatment 0.408 -0.0134 -0.42 0.382 -0.0639 -1.89 -1.6377 -0.8441 2117992 Maybridge4_000437 COc1cccc(/C=N/O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D20 compound treatment 0.433 0.0116 0.36 0.428 -0.0179 -0.53 -0.118 -0.1835 1204180 Maybridge4_000438 Clc1ccc(cc1Cl)S(=O)(=O)NCCc2c[nH]c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D21 compound treatment 0.388 -0.0334 -1.05 0.388 -0.0579 -1.72 -1.9567 -0.9724 3062533 Maybridge4_000439 CS/C(=N\S(=O)(=O)c1ccccc1)/N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D22 compound treatment 0.4 -0.0214 -0.67 0.401 -0.0449 -1.33 -1.4175 -0.9503 1417838 Maybridge4_000440 COC(=O)CC1(Oc2ccc(Br)cc2C(=O)N1c3ccc(F)cc3F)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D23 mock treatment 0.399 -0.0224 -0.71 0.415 -0.0309 -0.92 -1.1464 -0.9917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 D24 mock treatment 0.419 -0.00244 -0.08 0.469 0.0231 0.68 0.4297 0.624 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E01 compound treatment 0.41 -0.0114 -0.36 0.472 0.0261 0.77 0.2925 0.343 3062534 Maybridge4_000441 Cn1nc(OC(C)(C)C(=O)Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E02 compound treatment 0.399 -0.0224 -0.71 0.437 -0.0089 -0.26 -0.6854 -0.91 1024184 Maybridge4_000442 CCC(=O)c1ccc(OC)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E03 compound treatment 0.417 -0.00444 -0.14 0.419 -0.0269 -0.8 -0.6624 -0.8184 1519339 Maybridge4_000443 Cc1ccc(Oc2ncccc2NC(=O)CSc3ccccn3)c4CCCc41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E04 compound treatment 0.389 -0.0324 -1.02 0.403 -0.0429 -1.27 -1.6202 -0.994 3062535 Maybridge4_000444 Cc1cc(=O)n(CCO)c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E05 compound treatment 0.407 -0.0144 -0.45 0.411 -0.0349 -1.03 -1.0523 -0.9317 3178539 Maybridge4_000445 OC(=O)CC(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C2=CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E06 compound treatment 0.413 -0.00844 -0.27 0.421 -0.0249 -0.74 -0.7094 -0.9046 1643916 Maybridge4_000446 O=C(N1CCCCC1)c2cccc3Cc4ccccc4-c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E07 compound treatment 0.417 -0.00444 -0.14 0.404 -0.0419 -1.24 -0.9766 -0.7816 3178540 Maybridge4_000447 OC(=O)c1oc(C(=O)O)c(OCc2ccccc2)c1OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E08 compound treatment 0.414 -0.00744 -0.23 0.425 -0.0209 -0.62 -0.6033 -0.9113 3062536 Maybridge4_000448 O=C(Oc1ccccc1)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E09 compound treatment 0.423 0.00156 0.05 0.415 -0.0309 -0.92 -0.6128 -0.6682 1039079 Maybridge4_000449 OC(=O)c1cccc(Cl)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E10 compound treatment 0.408 -0.0134 -0.42 0.414 -0.0319 -0.95 -0.9672 -0.9341 1423015 Maybridge4_000450 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E11 compound treatment 0.414 -0.00744 -0.23 0.412 -0.0339 -1.0 -0.8757 -0.849 3178542 Maybridge4_000451 OC(Cn1ccccc1=N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E12 compound treatment 0.418 -0.00344 -0.11 0.419 -0.0269 -0.8 -0.6401 -0.7957 3062537 Maybridge4_000452 CC(C1CC1)N(C(=O)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E13 compound treatment 0.414 -0.00744 -0.23 0.424 -0.0219 -0.65 -0.6243 -0.9049 1704451 Maybridge4_000453 CN(C)C(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E14 compound treatment 0.411 -0.0104 -0.33 0.407 -0.0389 -1.15 -1.0472 -0.8737 3178543 Maybridge4_000454 CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E15 compound treatment 0.466 0.0446 1.4 0.46 0.0141 0.42 1.2862 0.8796 3062540 Maybridge4_000455 COc1ccc2c(OC)ccc3C(=O)C=Cc1c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E16 compound treatment 0.416 -0.00544 -0.17 0.424 -0.0219 -0.65 -0.5798 -0.8639 1289531 Maybridge4_000456 Clc1ccc(cc1)C(=O)OC2CN3CCC2CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E17 compound treatment 0.42 -0.00144 -0.05 0.424 -0.0219 -0.65 -0.4909 -0.7545 1672892 Maybridge4_000457 CNC(=O)c1ccccc1S(=O)c2cccc3cccc(C(=O)O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E18 compound treatment 0.409 -0.0124 -0.39 0.405 -0.0409 -1.21 -1.1336 -0.8901 3062541 Maybridge4_000458 COc1ccc(OC)c(CCCCc2cc(OC)ccc2OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E19 compound treatment 0.449 0.0276 0.87 0.462 0.0161 0.48 0.9501 0.9604 3178544 Maybridge4_000459 Clc1ccc(S/C=C/C(=O)c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E20 compound treatment 0.434 0.0126 0.4 0.434 -0.0119 -0.35 0.0299 0.0565 3062542 Maybridge4_000460 C/C(=N\O)/C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E21 compound treatment 0.4 -0.0214 -0.67 0.397 -0.0489 -1.45 -1.5013 -0.9394 3178545 Maybridge4_000461 CC(=O)OC[C@H]1O[C@@H](Nc2ccc(C)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E22 compound treatment 0.409 -0.0124 -0.39 0.407 -0.0389 -1.15 -1.0917 -0.8968 3062543 Maybridge4_000462 CC1(C)N(O)C(NC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E23 mock treatment 0.397 -0.0244 -0.77 0.429 -0.0169 -0.5 -0.8975 -0.9785 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 E24 mock treatment 0.407 -0.0144 -0.45 0.437 -0.0089 -0.26 -0.5075 -0.9667 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F01 compound treatment 0.415 -0.00644 -0.2 0.455 0.0091 0.27 0.0475 0.1408 3178546 Maybridge4_000463 Fc1ccc2CC(=O)C(Cc2c1)C3=Cc4ccc(F)cc4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F02 compound treatment 0.406 -0.0154 -0.49 0.438 -0.0079 -0.23 -0.5088 -0.9441 1526672 Maybridge4_000464 COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)n2n4cccc4)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F03 compound treatment 0.411 -0.0104 -0.33 0.426 -0.0199 -0.59 -0.6491 -0.9617 3062544 Maybridge4_000465 CC(OC(=O)c1cccc(Cl)c1)c2ccc[n+](C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F04 compound treatment 0.411 -0.0104 -0.33 0.409 -0.0369 -1.09 -1.0053 -0.8805 1352177 Maybridge4_000466 CSc1cccc(NC(=S)Nc2cc3c(c(N)c2C)C(C)(C)CC3(C)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F05 compound treatment 0.412 -0.00944 -0.3 0.413 -0.0329 -0.97 -0.8992 -0.8824 3062545 Maybridge4_000467 CC(C=C1C(=O)NC(=O)NC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F06 compound treatment 0.42 -0.00144 -0.05 0.421 -0.0249 -0.74 -0.5538 -0.749 3062546 Maybridge4_000468 SC1=NC2(CCCC2)NN1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F07 compound treatment 0.413 -0.00844 -0.27 0.406 -0.0399 -1.18 -1.0237 -0.8448 3178547 Maybridge4_000469 C(c1ccc(/N=C/c2ccccn2)cc1)c3ccc(/N=C/c4ccccn4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F08 compound treatment 0.414 -0.00744 -0.23 0.411 -0.0349 -1.03 -0.8967 -0.8456 1528873 Maybridge4_000470 O=C1CCC(=O)N1CNc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F09 compound treatment 0.408 -0.0134 -0.42 0.406 -0.0399 -1.18 -1.1348 -0.9038 1318293 Maybridge4_000471 CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F10 compound treatment 0.456 0.0346 1.09 0.461 0.0151 0.45 1.0848 0.923 3178548 Maybridge4_000472 Clc1ccc(SCc2ccc(NC(=O)Nc3cccc(Cl)c3)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F11 compound treatment 0.425 0.00356 0.11 0.433 -0.0129 -0.38 -0.1911 -0.4798 3062547 Maybridge4_000473 NC(=N)Nc1nc(cs1)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F12 compound treatment 0.455 0.0336 1.06 0.464 0.0181 0.54 1.1254 0.9507 3178625 Maybridge4_000474 CS/C(=C(/C#N)\C(=O)c1cccs1)/Nc2cccc(Cl)c2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F13 compound treatment 0.427 0.00556 0.17 0.422 -0.0239 -0.71 -0.3772 -0.517 3178626 Maybridge4_000475 OC(Cc1ccccc1)(c2ccccc2)c3ccccc3NC(=S)NC4CC5CC4C=C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F14 compound treatment 0.428 0.00656 0.21 0.423 -0.0229 -0.68 -0.334 -0.4708 3062548 Maybridge4_000476 Cc1nnsc1C(=O)Nc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F15 compound treatment 0.423 0.00156 0.05 0.426 -0.0199 -0.59 -0.3823 -0.646 1004988 Maybridge4_000477 ON=C(Cc1ccccc1)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F16 compound treatment 0.44 0.0186 0.58 0.44 -0.0059 -0.17 0.289 0.4743 3178627 Maybridge4_000478 Cc1onc(c1C(=O)NC(=S)N2CCOCC2)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F17 compound treatment 0.451 0.0296 0.93 0.444 -0.0019 -0.06 0.6174 0.663 3062549 Maybridge4_000479 NC(=O)Nc1ccc(cc1)/C(=C/c2ccncc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F18 compound treatment 0.452 0.0306 0.96 0.448 0.0021 0.06 0.7235 0.7513 3062550 Maybridge4_000480 CN(C)C(=S)SCc1c(C)c(C)c(C)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F19 compound treatment 0.417 -0.00444 -0.14 0.419 -0.0269 -0.8 -0.6624 -0.8184 3178628 Maybridge4_000481 COc1ccc(cc1)n2c(CC#N)nnc2SCc3c(C)c(C)c(C)c(C)c3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F20 compound treatment 0.422 5.62E-4 0.02 0.406 -0.0399 -1.18 -0.8236 -0.6965 3178629 Maybridge4_000482 CC1(C)ON(C(=N1)NC(=O)NC(=O)c2ccccc2Cl)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F21 compound treatment 0.394 -0.0274 -0.86 0.407 -0.0389 -1.15 -1.4252 -0.9898 3062551 Maybridge4_000483 O=S(=O)(/N=C/1\NCC2CCCC2N1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F22 compound treatment 0.407 -0.0144 -0.45 0.413 -0.0329 -0.97 -1.0104 -0.9395 3178630 Maybridge4_000484 CC(CO)(CO)NC(=S)Nc1ccc(F)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F23 mock treatment 0.398 -0.0234 -0.74 0.411 -0.0349 -1.03 -1.2524 -0.9862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 F24 mock treatment 0.427 0.00556 0.17 0.462 0.0161 0.48 0.4609 0.9073 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G01 compound treatment 0.42 -0.00144 -0.05 0.544 0.0981 2.91 2.0234 0.696 1441207 Maybridge4_000485 CC(C)(C)c1cc2[nH]c(=N)[nH]c(=N)n2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G02 compound treatment 0.412 -0.00944 -0.3 0.435 -0.0109 -0.32 -0.4383 -0.9991 1390371 Maybridge4_000486 O=c1c(Cc2ccccc2OCc3ccccc3)coc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G03 compound treatment 0.395 -0.0264 -0.83 0.405 -0.0409 -1.21 -1.4448 -0.9831 3062552 Maybridge4_000487 COc1ccccc1C2OC(=O)C[C@H]2C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G04 compound treatment 0.411 -0.0104 -0.33 0.419 -0.0269 -0.8 -0.7958 -0.9231 1630105 Maybridge4_000488 Brc1ccc(cc1)C(=O)c2cc3OCCCOc3cc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G05 compound treatment 0.421 -4.38E-4 -0.01 0.422 -0.0239 -0.71 -0.5106 -0.7207 1255736 Maybridge4_000489 COc1cc(OC)nc(NCC(NC(=O)c2ccccc2)C(=O)N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G06 compound treatment 0.418 -0.00344 -0.11 0.418 -0.0279 -0.83 -0.6611 -0.7928 1191076 Maybridge4_000490 CNc1cc(=O)n(c2ccccc2)c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G07 compound treatment 0.447 0.0256 0.8 0.446 9.68E-5 0.0 0.5704 0.7096 1024944 Maybridge4_000491 CCOC(=O)c1oc(C(=O)OCC)c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G08 compound treatment 0.436 0.0146 0.46 0.43 -0.0159 -0.47 -0.0094 -0.0144 3062592 Maybridge4_000492 CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G09 compound treatment 0.413 -0.00844 -0.27 0.406 -0.0399 -1.18 -1.0237 -0.8448 3062593 Maybridge4_000493 O=C1N(CCCCN2C(=O)c3ccccc3S2(=O)=O)S(=O)(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G10 compound treatment 0.427 0.00556 0.17 0.418 -0.0279 -0.83 -0.461 -0.5455 3062594 Maybridge4_000494 Cc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c3ccc(F)c(Cl)c3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G11 compound treatment 0.427 0.00556 0.17 0.419 -0.0269 -0.8 -0.44 -0.5391 1051499 Maybridge4_000495 CC(O)c1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G12 compound treatment 0.436 0.0146 0.46 0.448 0.0021 0.06 0.3677 0.7958 1332464 Maybridge4_000496 OCCOC(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G13 compound treatment 0.445 0.0236 0.74 0.436 -0.0099 -0.29 0.3164 0.397 1397918 Maybridge4_000497 CCCN(CCC)C(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G14 compound treatment 0.431 0.00956 0.3 0.422 -0.0239 -0.71 -0.2882 -0.3746 3178631 Maybridge4_000498 CC(C)(C)C(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C(C)(C)C)n2cnc3c(N)ncnc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G15 compound treatment 0.464 0.0426 1.34 0.484 0.0381 1.13 1.7446 0.9964 3062595 Maybridge4_000499 O=C(OC1=CC(=O)c2cccc3cccc1c23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G16 compound treatment 0.426 0.00456 0.14 0.426 -0.0199 -0.59 -0.3156 -0.5199 1645132 Maybridge4_000500 O=C(NC1CCN(Cc2cccc3ccccc23)CC1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G17 compound treatment 0.426 0.00456 0.14 0.43 -0.0159 -0.47 -0.2318 -0.4705 1430296 Maybridge4_000501 OCc1cccc2cccc(S(=O)c3cccc4cccc(C(=O)O)c34)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G18 compound treatment 0.383 -0.0384 -1.21 0.377 -0.0689 -2.04 -2.2983 -0.9687 1284168 Maybridge4_000502 Brc1ccc(Cc2csc3ccccc3c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G19 compound treatment 0.421 -4.38E-4 -0.01 0.416 -0.0299 -0.89 -0.6363 -0.718 3178632 Maybridge4_000503 FC(F)(F)Oc1ccccc1NC(=O)CC(=O)Nc2ccccc2OC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G20 compound treatment 0.398 -0.0234 -0.74 0.415 -0.0309 -0.92 -1.1686 -0.9942 1186920 Maybridge4_000504 NNC(=O)C1(CCCC2CCC1)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G21 compound treatment 0.451 0.0296 0.93 0.449 0.0031 0.09 0.7222 0.7732 3062596 Maybridge4_000505 FC1(C(=O)Nc2c(Cl)c(Cl)ccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G22 compound treatment 0.41 -0.0114 -0.36 0.403 -0.0429 -1.27 -1.1532 -0.8729 3178633 Maybridge4_000506 CC(C)(C)OC(=O)Cn1ccc(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G23 mock treatment 0.41 -0.0114 -0.36 0.423 -0.0229 -0.68 -0.7342 -0.9559 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 G24 mock treatment 0.412 -0.00944 -0.3 0.44 -0.0059 -0.17 -0.3335 -0.9682 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H01 compound treatment 0.503 0.0816 2.56 0.559 0.113 3.35 4.1831 0.9913 3178634 Maybridge4_000507 O/N=C(/C1CC2CCC1CC2)\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H02 compound treatment 0.454 0.0326 1.02 0.493 0.0471 1.4 1.7108 0.9884 1138209 Maybridge4_000508 N1C(c2cccn2-c3ccccc13)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H03 compound treatment 0.432 0.0106 0.33 0.449 0.0031 0.09 0.2997 0.8699 1326325 Maybridge4_000509 Cc1c(C)c(C)c(CN2C(=O)c3ccccc3C2=O)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H04 compound treatment 0.399 -0.0224 -0.71 0.403 -0.0429 -1.27 -1.3978 -0.9614 3062597 Maybridge4_000510 Cc1c(cc2c(c1n3cccc3)C(C)(C)CC2(C)C)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H05 compound treatment 0.452 0.0306 0.96 0.465 0.0191 0.57 1.0797 0.9681 3178635 Maybridge4_000511 Fc1ccc(cc1)C(=O)CSc2nsc(SCC(=O)c3ccc(F)cc3)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H06 compound treatment 0.438 0.0166 0.52 0.441 -0.0049 -0.15 0.2655 0.4911 3178636 Maybridge4_000512 CC(C)C1CCC(C)CC1NC(=S)Nc2cccc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H07 compound treatment 0.404 -0.0174 -0.55 0.4 -0.0459 -1.36 -1.3495 -0.9202 1248377 Maybridge4_000513 CC1CCCCN1C(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H08 compound treatment 0.422 5.62E-4 0.02 0.414 -0.0319 -0.95 -0.656 -0.6938 3178637 Maybridge4_000514 COc1cccc(OC)c1C(=O)Nc2cc(c(Cl)cc2OC)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H09 compound treatment 0.419 -0.00244 -0.08 0.406 -0.0399 -1.18 -0.8903 -0.7514 1054040 Maybridge4_000515 CC(C)C1=NNC(=O)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H10 compound treatment 0.435 0.0136 0.43 0.432 -0.0139 -0.41 0.0102 0.0173 1253333 Maybridge4_000516 Nc1nc2c(nnn2c3ccccc13)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H11 compound treatment 0.396 -0.0254 -0.8 0.399 -0.0469 -1.39 -1.5483 -0.9656 1700266 Maybridge4_000517 COc1ccc(CCNC(=S)NCCc2ccccc2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H12 compound treatment 0.418 -0.00344 -0.11 0.418 -0.0279 -0.83 -0.6611 -0.7928 3178638 Maybridge4_000518 O/N=C(\C#N)/C(=O)c1ccco1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H13 compound treatment 0.418 -0.00344 -0.11 0.405 -0.0409 -1.21 -0.9335 -0.7671 1672819 Maybridge4_000519 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H14 compound treatment 0.412 -0.00944 -0.3 0.423 -0.0229 -0.68 -0.6897 -0.9312 3178639 Maybridge4_000520 Fc1cc(F)c(NC(=S)N2CCOCC2)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H15 compound treatment 0.421 -4.38E-4 -0.01 0.418 -0.0279 -0.83 -0.5944 -0.7188 1546700 Maybridge4_000521 Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NN)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H16 compound treatment 0.415 -0.00644 -0.2 0.423 -0.0229 -0.68 -0.623 -0.8797 3062598 Maybridge4_000522 Fc1cccc(NCc2cccs2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H17 compound treatment 0.405 -0.0164 -0.52 0.418 -0.0279 -0.83 -0.9501 -0.9744 3178640 Maybridge4_000523 NC(=O)Nc1ccc(cc1)/C(=C/c2ccc(Cl)c(Cl)c2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H18 compound treatment 0.414 -0.00744 -0.23 0.4 -0.0459 -1.36 -1.1272 -0.8167 3062599 Maybridge4_000524 CN(C)C(=S)SCC(=O)c1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H19 compound treatment 0.439 0.0176 0.55 0.429 -0.0169 -0.5 0.0363 0.0487 1221296 Maybridge4_000525 Cc1cc(C)c2-c3[nH]c(nc3C(C)(C)Cc2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H20 compound treatment 0.441 0.0196 0.62 0.443 -0.0029 -0.09 0.3741 0.6024 1556252 Maybridge4_000526 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H21 compound treatment 0.402 -0.0194 -0.61 0.402 -0.0439 -1.3 -1.3521 -0.9407 3062600 Maybridge4_000527 CC1CN/C(=N/S(=O)(=O)c2ccccc2)/N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H22 compound treatment 0.421 -4.38E-4 -0.01 0.424 -0.0219 -0.65 -0.4687 -0.7219 1621149 Maybridge4_000528 CC1CC(C)CN(C1)c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H23 mock treatment 0.413 -0.00844 -0.27 0.427 -0.0189 -0.56 -0.5837 -0.9417 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 H24 mock treatment 0.443 0.0216 0.68 0.461 0.0151 0.45 0.7957 0.9796 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I01 compound treatment 0.451 0.0296 0.93 0.509 0.0631 1.87 1.9793 0.948 3062601 Maybridge4_000529 Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)c3CCCc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I02 compound treatment 0.412 -0.00944 -0.3 0.44 -0.0059 -0.17 -0.3335 -0.9682 3178641 Maybridge4_000530 CCOC(=O)CSc1nnc(S)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I03 compound treatment 0.4 -0.0214 -0.67 0.42 -0.0259 -0.77 -1.0194 -0.9979 3178642 Maybridge4_000531 Cc1nc(cs1)c2cc(C#N)c(SCCNS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I04 compound treatment 0.402 -0.0194 -0.61 0.402 -0.0439 -1.3 -1.3521 -0.9407 1202864 Maybridge4_000532 Cc1ccc(cc1)C(=O)C2C(=O)N(C(=O)N(C2=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I05 compound treatment 0.431 0.00956 0.3 0.429 -0.0169 -0.5 -0.1416 -0.2423 1219965 Maybridge4_000533 Cc1nn(nc1C(=O)ON2C(=O)C3C4OC(C=C4)C3C2=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I06 compound treatment 0.419 -0.00244 -0.08 0.412 -0.0339 -1.0 -0.7646 -0.7588 3062602 Maybridge4_000534 COc1ccc(/C=C\2/C(Oc3ccccc3C2=O)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I07 compound treatment 0.438 0.0166 0.52 0.421 -0.0249 -0.74 -0.1535 -0.17 1277364 Maybridge4_000535 CCOC(=O)c1c(O)c(O)c(C(=O)OCC)n1c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I08 compound treatment 0.412 -0.00944 -0.3 0.402 -0.0439 -1.3 -1.1297 -0.8467 1178381 Maybridge4_000536 Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I09 compound treatment 0.447 0.0256 0.8 0.441 -0.0049 -0.15 0.4656 0.5701 1497959 Maybridge4_000537 CC(C)C1CCC(C)CC1NC(=O)c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I10 compound treatment 0.443 0.0216 0.68 0.437 -0.0089 -0.26 0.2929 0.4026 1039563 Maybridge4_000538 Clc1ccc2oc(cc(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I11 compound treatment 0.417 -0.00444 -0.14 0.431 -0.0149 -0.44 -0.4109 -0.8873 1035419 Maybridge4_000539 O=C(c1ccccc1)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I12 compound treatment 0.407 -0.0144 -0.45 0.411 -0.0349 -1.03 -1.0523 -0.9317 3178724 Maybridge4_000540 Sc1nn(c2ccc(Cl)cc2)c(=S)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I13 compound treatment 0.418 -0.00344 -0.11 0.418 -0.0279 -0.83 -0.6611 -0.7928 1060199 Maybridge4_000541 CNC(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I14 compound treatment 0.406 -0.0154 -0.49 0.414 -0.0319 -0.95 -1.0117 -0.952 3178725 Maybridge4_000542 NNC(=O)c1cc(n[nH]1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I15 compound treatment 0.406 -0.0154 -0.49 0.416 -0.0299 -0.89 -0.9698 -0.9599 1005720 Maybridge4_000543 CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I16 compound treatment 0.432 0.0106 0.33 0.43 -0.0159 -0.47 -0.0984 -0.1706 1587057 Maybridge4_000544 COc1ccccc1C2CCN(Cc3cccc4ccccc34)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I17 compound treatment 0.417 -0.00444 -0.14 0.425 -0.0209 -0.62 -0.5366 -0.8452 2075442 Maybridge4_000545 CN1[S+](c2ccccc2C(=O)O)c3cccc4cccc(C1=O)c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I18 compound treatment 0.444 0.0226 0.71 0.449 0.0031 0.09 0.5665 0.792 3178726 Maybridge4_000546 Nc1ccccc1SC(CC(=O)c2ccc(Br)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I19 compound treatment 0.439 0.0176 0.55 0.442 -0.0039 -0.12 0.3087 0.5471 1287387 Maybridge4_000547 OCC(O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I20 compound treatment 0.394 -0.0274 -0.86 0.422 -0.0239 -0.71 -1.1109 -0.9952 1441014 Maybridge4_000548 OC(=O)C1(CCCC2(CCC1)C(=O)O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I21 compound treatment 0.408 -0.0134 -0.42 0.419 -0.0269 -0.8 -0.8625 -0.9559 1343250 Maybridge4_000549 O=C1C(C2c3ccccc3Oc4ccccc24)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I22 compound treatment 0.423 0.00156 0.05 0.432 -0.0139 -0.41 -0.2566 -0.6184 3062641 Maybridge4_000550 OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I23 mock treatment 0.396 -0.0254 -0.8 0.438 -0.0079 -0.23 -0.7312 -0.8773 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 I24 mock treatment 0.418 -0.00344 -0.11 0.428 -0.0179 -0.53 -0.4515 -0.834 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J01 compound treatment 0.424 0.00256 0.08 0.47 0.0241 0.71 0.5619 0.7819 3062642 Maybridge4_000551 COC(=O)C1CCC(=O)C(C1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J02 compound treatment 0.44 0.0186 0.58 0.498 0.0521 1.54 1.5043 0.9115 1601179 Maybridge4_000552 Oc1ccc2ccccc2c1C3Nc4ccccc4-n5cccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J03 compound treatment 0.407 -0.0144 -0.45 0.425 -0.0209 -0.62 -0.759 -0.9883 3062643 Maybridge4_000553 Cc1c(C)c(C)c(CN2CCCCC2)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J04 compound treatment 0.417 -0.00444 -0.14 0.423 -0.0229 -0.68 -0.5785 -0.835 3062644 Maybridge4_000554 CC(=O)Nc1s/c(=N\c2ccc(C)c(C)c2)/n(C(=O)C)c1c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J05 compound treatment 0.391 -0.0304 -0.96 0.369 -0.0769 -2.28 -2.2881 -0.9258 1342204 Maybridge4_000555 O=S(=O)(N1CCCCC1)c2ccc(NC(=S)Nc3ccc4OCOc4c3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J06 compound treatment 0.452 0.0306 0.96 0.449 0.0031 0.09 0.7444 0.7711 3062645 Maybridge4_000556 Clc1ccc(Cl)c(NC(=S)NC(=N)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J07 compound treatment 0.428 0.00656 0.21 0.433 -0.0129 -0.38 -0.1244 -0.2864 3178727 Maybridge4_000557 Oc1c(Cl)cc(Cl)cc1/C=N/c2ccc(CC3C(=O)Nc4ccccc34)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J08 compound treatment 0.409 -0.0124 -0.39 0.404 -0.0419 -1.24 -1.1545 -0.8869 3178728 Maybridge4_000558 CN1CCC2(C(C1)N=NN2c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J09 compound treatment 0.42 -0.00144 -0.05 0.403 -0.0429 -1.27 -0.9309 -0.7318 3062646 Maybridge4_000559 Cc1cc(C)c(C(=O)Nc2cccc(c2)C(F)(F)F)c3CC(C)(C)C(=O)c31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J10 compound treatment 0.437 0.0156 0.49 0.451 0.0051 0.15 0.4528 0.8842 1734956 Maybridge4_000560 Nc1nc2c(nnn2c3ccccc13)c4ccc(Br)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J11 compound treatment 0.457 0.0356 1.12 0.453 0.0071 0.21 0.9394 0.8256 3178729 Maybridge4_000561 Cc1c(C)c(C)c(C(O)c2ccccc2)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J12 compound treatment 0.464 0.0426 1.34 0.463 0.0171 0.51 1.3046 0.9116 3178730 Maybridge4_000562 COc1ccc(cc1)c2c(C#N)nnn2c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J13 compound treatment 0.417 -0.00444 -0.14 0.407 -0.0389 -1.15 -0.9138 -0.787 1646858 Maybridge4_000563 CCN1C(C(CCC1=O)C(=O)O)c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J14 compound treatment 0.419 -0.00244 -0.08 0.417 -0.0289 -0.86 -0.6598 -0.7673 1299644 Maybridge4_000564 Fc1cccc(NCCc2ccccn2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J15 compound treatment 0.412 -0.00944 -0.3 0.405 -0.0409 -1.21 -1.0669 -0.855 3062647 Maybridge4_000565 CCOC(=S)SCc1c(C)c(C)c(C)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J16 compound treatment 0.41 -0.0114 -0.36 0.406 -0.0399 -1.18 -1.0904 -0.8823 1536926 Maybridge4_000566 O=C(CC#N)NCc1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J17 compound treatment 0.374 -0.0474 -1.49 0.395 -0.0509 -1.51 -2.1213 -1.0 3178731 Maybridge4_000567 Cc1onc(c1NC(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J18 compound treatment 0.443 0.0216 0.68 0.443 -0.0029 -0.09 0.4186 0.6125 1727398 Maybridge4_000568 CCc1cccc(C(C)C)c1NS(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J19 compound treatment 0.43 0.00856 0.27 0.424 -0.0219 -0.65 -0.2686 -0.3822 3062649 Maybridge4_000569 Nn1c(nc2ccccc2c1=O)C(=O)NCc3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J20 compound treatment 0.424 0.00256 0.08 0.435 -0.0109 -0.32 -0.1715 -0.515 3178732 Maybridge4_000570 CC1CCCCN1CCCNC(=O)Nc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J21 compound treatment 0.423 0.00156 0.05 0.42 -0.0259 -0.77 -0.508 -0.6605 3062650 Maybridge4_000571 Clc1ccc(SCc2ccc(C#N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J22 compound treatment 0.409 -0.0124 -0.39 0.415 -0.0309 -0.92 -0.924 -0.928 3178733 Maybridge4_000572 CC1CN(CC(C)O1)c2ccc(NC(=O)c3ccco3)cc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J23 mock treatment 0.409 -0.0124 -0.39 0.408 -0.0379 -1.12 -1.0707 -0.9003 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 J24 mock treatment 0.449 0.0276 0.87 0.456 0.0101 0.3 0.8244 0.8991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K01 compound treatment 0.434 0.0126 0.4 0.514 0.0681 2.02 1.7061 0.8298 1258100 Maybridge4_000573 OC(=O)C1CC1C(=O)Nc2ccc(Oc3ccc(Cl)cc3C4CCCCC4)nc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K02 compound treatment 0.419 -0.00244 -0.08 0.445 -9.03E-4 -0.03 -0.0731 -0.9007 3062651 Maybridge4_000574 CCOC(=O)CCSc1nnc(S)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K03 compound treatment 0.371 -0.0504 -1.59 0.39 -0.0559 -1.66 -2.2927 -0.9998 1465836 Maybridge4_000575 Fc1ccc(COc2ccc(cc2)C(=O)CSc3ccccn3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K04 compound treatment 0.407 -0.0144 -0.45 0.412 -0.0339 -1.0 -1.0314 -0.9356 1182542 Maybridge4_000576 CC1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K05 compound treatment 0.416 -0.00544 -0.17 0.422 -0.0239 -0.71 -0.6217 -0.8533 3178734 Maybridge4_000577 OC1CCCCCCCCCCC1CCC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K06 compound treatment 0.418 -0.00344 -0.11 0.41 -0.0359 -1.06 -0.8287 -0.775 3062652 Maybridge4_000578 CC(C)CCNC(=O)Oc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K07 compound treatment 0.434 0.0126 0.4 0.423 -0.0229 -0.68 -0.2006 -0.2554 3178735 Maybridge4_000579 COc1ccc(OC)c2c(=O)cc(oc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K08 compound treatment 0.427 0.00556 0.17 0.426 -0.0199 -0.59 -0.2933 -0.4769 1674875 Maybridge4_000580 COc1ccccc1C2CCN(CC2)C(=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K09 compound treatment 0.403 -0.0184 -0.58 0.401 -0.0449 -1.33 -1.3508 -0.9307 3178736 Maybridge4_000581 CC1(C)C2CCC1(C)C(C2)NC(=O)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K10 compound treatment 0.431 0.00956 0.3 0.453 0.0071 0.21 0.3613 0.9847 1672849 Maybridge4_000582 Cc1onc(c1C(=O)N2CC(C2)Oc3ccc(Cl)cc3)c4c(F)cccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K11 compound treatment 0.433 0.0116 0.36 0.426 -0.0199 -0.59 -0.1599 -0.2309 3062653 Maybridge4_000583 Cc1cc(n[nH]c1=O)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K12 compound treatment 0.413 -0.00844 -0.27 0.417 -0.0289 -0.86 -0.7932 -0.8847 3062654 Maybridge4_000584 Sc1nc(c2ccccc2)n(n1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K13 compound treatment 0.447 0.0256 0.8 0.439 -0.0069 -0.2 0.4237 0.5109 1267527 Maybridge4_000585 CC(C)CCNC(=O)c1cccc2C(=O)c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K14 compound treatment 0.425 0.00356 0.11 0.409 -0.0369 -1.09 -0.694 -0.6314 3062655 Maybridge4_000586 O=C1C(CCCC1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K15 compound treatment 0.409 -0.0124 -0.39 0.413 -0.0329 -0.97 -0.9659 -0.9195 3178737 Maybridge4_000587 Cc1c(cnc2ccccc12)c3nnnn3c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K16 compound treatment 0.418 -0.00344 -0.11 0.42 -0.0259 -0.77 -0.6192 -0.7988 1175626 Maybridge4_000588 Cc1ccc(cc1)C(=O)OC2CN3CCC2CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K17 compound treatment 0.42 -0.00144 -0.05 0.421 -0.0249 -0.74 -0.5538 -0.749 3178738 Maybridge4_000589 CN1[S+](c2ccccc2C1=O)c3cccc4cccc(C(=O)O)c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K18 compound treatment 0.442 0.0206 0.65 0.454 0.0081 0.24 0.6268 0.9089 3178739 Maybridge4_000590 CC1(C)C2CCC1(C)c3nn(c(c23)C(F)(F)F)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K19 compound treatment 0.442 0.0206 0.65 0.431 -0.0149 -0.44 0.1449 0.1851 1361703 Maybridge4_000591 CCOC(Cn1c2ccccc2c3ccccc13)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K20 compound treatment 0.417 -0.00444 -0.14 0.412 -0.0339 -1.0 -0.809 -0.7977 1031191 Maybridge4_000592 OC(=O)C1C(C2CCC1C2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K21 compound treatment 0.432 0.0106 0.33 0.446 9.68E-5 0.0 0.2369 0.7132 1224135 Maybridge4_000593 Cn1c(nc2ccccc12)C(C#N)C(=O)c3ccccc3I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K22 compound treatment 0.42 -0.00144 -0.05 0.42 -0.0259 -0.77 -0.5747 -0.7475 1062658 Maybridge4_000594 CCOC(=O)C1C(C2c3ccccc3C1c4ccccc24)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K23 mock treatment 0.425 0.00356 0.11 0.421 -0.0249 -0.74 -0.4426 -0.593 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 K24 mock treatment 0.422 5.62E-4 0.02 0.46 0.0141 0.42 0.3079 0.7364 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L01 compound treatment 0.417 -0.00444 -0.14 0.473 0.0271 0.8 0.4691 0.5756 3062656 Maybridge4_000595 CCCCN(C(C)C)S(=O)(=O)c1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L02 compound treatment 0.437 0.0156 0.49 0.454 0.0081 0.24 0.5157 0.9462 3178740 Maybridge4_000596 FC(F)(F)c1cccc(c1)/C(=C/C=C/c2ccccc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L03 compound treatment 0.407 -0.0144 -0.45 0.412 -0.0339 -1.0 -1.0314 -0.9356 3062657 Maybridge4_000597 O=C1NC(=O)C(=CC2CCC=CC2)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L04 compound treatment 0.402 -0.0194 -0.61 0.413 -0.0329 -0.97 -1.1216 -0.9747 1174872 Maybridge4_000598 Fc1cccc(F)c1C(=O)Nc2cccc(NC(=O)c3c(F)cccc3F)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L05 compound treatment 0.412 -0.00944 -0.3 0.406 -0.0399 -1.18 -1.0459 -0.858 3178741 Maybridge4_000599 COc1ccc(CC/N=C/c2ccc3OCOc3c2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L06 compound treatment 0.429 0.00756 0.24 0.427 -0.0189 -0.56 -0.2279 -0.3746 3062658 Maybridge4_000600 FC(F)(F)c1cc(C#CCN2CCCCC2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L07 compound treatment 0.415 -0.00644 -0.2 0.412 -0.0339 -1.0 -0.8535 -0.8328 3178820 Maybridge4_000601 CC(C)NC(=S)N1CCCN2C1c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L08 compound treatment 0.435 0.0136 0.43 0.442 -0.0039 -0.12 0.2198 0.4974 3062659 Maybridge4_000602 FC(F)(F)c1cccc(c1C(=O)OCC(=O)c2ccc(Cl)cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L09 compound treatment 0.425 0.00356 0.11 0.423 -0.0229 -0.68 -0.4007 -0.5825 1236762 Maybridge4_000603 S=C(Nc1ccccc1)Nc2ccccc2n3cccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L10 compound treatment 0.42 -0.00144 -0.05 0.432 -0.0139 -0.41 -0.3233 -0.78 3062660 Maybridge4_000604 COc1ccc(OC)c(c1)S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L11 compound treatment 0.414 -0.00744 -0.23 0.418 -0.0279 -0.83 -0.75 -0.8729 1138158 Maybridge4_000605 COc1ccc(OCCC(=O)NN)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L12 compound treatment 0.428 0.00656 0.21 0.433 -0.0129 -0.38 -0.1244 -0.2864 3062661 Maybridge4_000606 CN(C)C(=O)c1c(C)onc1c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L13 compound treatment 0.401 -0.0204 -0.64 0.402 -0.0439 -1.3 -1.3743 -0.9471 3178821 Maybridge4_000607 OC(Cc1ccccc1)(c2ccccc2)c3ccccc3/N=C/c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L14 compound treatment 0.454 0.0326 1.02 0.461 0.0151 0.45 1.0403 0.9311 3178822 Maybridge4_000608 Fc1cccc(N(Cc2cccnc2)C(=S)Nc3ccc(Cl)c(Cl)c3)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L15 compound treatment 0.437 0.0156 0.49 0.448 0.0021 0.06 0.3899 0.7905 3062708 Maybridge4_000609 Cc1c(C)c(C)c(CSc2ccccn2)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L16 compound treatment 0.413 -0.00844 -0.27 0.423 -0.0229 -0.68 -0.6675 -0.916 3062709 Maybridge4_000610 CC(C)NC(=O)NCc1c(F)cccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L17 compound treatment 0.413 -0.00844 -0.27 0.414 -0.0319 -0.95 -0.8561 -0.8719 3062710 Maybridge4_000611 Cc1c(C)c(C)c(C(=O)/C=N/N)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L18 compound treatment 0.408 -0.0134 -0.42 0.425 -0.0209 -0.62 -0.7367 -0.9826 3062711 Maybridge4_000612 CCc1cccc(C(C)C)c1NC(=O)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L19 compound treatment 0.418 -0.00344 -0.11 0.416 -0.0299 -0.89 -0.703 -0.7875 3062712 Maybridge4_000613 COc1ccc(NC(=S)NCCCC2C=NN=C2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L20 compound treatment 0.433 0.0116 0.36 0.436 -0.0099 -0.29 0.0496 0.1061 3062713 Maybridge4_000614 CC(C)(C)C1=C(C#N)C(C(=C(NC(=O)NC(=O)c2c(F)cccc2Cl)O1)C#N)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L21 compound treatment 0.409 -0.0124 -0.39 0.417 -0.0289 -0.86 -0.8821 -0.9369 1309274 Maybridge4_000615 Cc1cc(C)c(C(=O)Nc2ccc(C)c(C)c2)c(CC(C)(C)C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L22 compound treatment 0.42 -0.00144 -0.05 0.43 -0.0159 -0.47 -0.3652 -0.7714 3178823 Maybridge4_000616 OCC(CO)(CO)NC(=S)Nc1cc(Cl)cc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L23 mock treatment 0.402 -0.0194 -0.61 0.42 -0.0259 -0.77 -0.9749 -0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 L24 mock treatment 0.43 0.00856 0.27 0.475 0.0291 0.86 0.8 0.8857 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M01 compound treatment 0.436 0.0146 0.46 0.492 0.0461 1.37 1.2896 0.8952 1443995 Maybridge4_000617 CCCc1ccc(Oc2ccc(NC(=O)C3CC3C(=O)O)cn2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M02 compound treatment 0.418 -0.00344 -0.11 0.46 0.0141 0.42 0.2189 0.5074 2105374 Maybridge4_000618 Oc1ccc(cc1)C(C#N)N2CCN(CC2)C(C#N)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M03 compound treatment 0.426 0.00456 0.14 0.443 -0.0029 -0.09 0.0406 0.2428 1235908 Maybridge4_000619 Cc1nc(cs1)c2cc(C#N)c(SCCC(=O)OC(C)(C)C)nc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M04 compound treatment 0.428 0.00656 0.21 0.439 -0.0069 -0.2 0.0013 0.0044 1332220 Maybridge4_000620 COc1ccc(cc1)C(=O)NC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M05 compound treatment 0.406 -0.0154 -0.49 0.42 -0.0259 -0.77 -0.886 -0.9756 3178824 Maybridge4_000621 CN1C2CCC1CC(C2)NC(=O)Cc3ccccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M06 compound treatment 0.421 -4.38E-4 -0.01 0.43 -0.0159 -0.47 -0.3429 -0.7274 3062715 Maybridge4_000622 CCNC(=O)Oc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M07 compound treatment 0.434 0.0126 0.4 0.441 -0.0049 -0.15 0.1766 0.4195 3062716 Maybridge4_000623 CN(C)/C=C/C(=O)c1c(O)cc(C)oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M08 compound treatment 0.419 -0.00244 -0.08 0.446 9.68E-5 0.0 -0.0522 -0.6802 1250275 Maybridge4_000624 COc1ccccc1C2CCN(CC2)C(=O)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M09 compound treatment 0.407 -0.0144 -0.45 0.411 -0.0349 -1.03 -1.0523 -0.9317 1731106 Maybridge4_000625 COc1ccc(Br)cc1COC(=O)C2c3ccccc3Oc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M10 compound treatment 0.418 -0.00344 -0.11 0.402 -0.0439 -1.3 -0.9963 -0.7632 1917572 Maybridge4_000626 CCOc1ccc2[nH]c(SCc3c(F)c(F)c(F)c(F)c3F)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M11 compound treatment 0.421 -4.38E-4 -0.01 0.422 -0.0239 -0.71 -0.5106 -0.7207 1003070 Maybridge4_000627 Cc1ccc(cc1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M12 compound treatment 0.453 0.0316 0.99 0.453 0.0071 0.21 0.8505 0.8383 3062717 Maybridge4_000628 CSc1nc2c(=S)[nH]c(=S)[nH]c2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M13 compound treatment 0.396 -0.0254 -0.8 0.418 -0.0279 -0.83 -1.1502 -0.9999 3062718 Maybridge4_000629 O/N=C(/C(=N/O)/c1ccccc1)\c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M14 compound treatment 0.423 0.00156 0.05 0.448 0.0021 0.06 0.0787 0.9932 1781230 Maybridge4_000630 CCOC(=O)CNc1n[nH]c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M15 compound treatment 0.479 0.0576 1.81 0.501 0.0551 1.63 2.4343 0.9987 3062719 Maybridge4_000631 Cc1cc(C)nc(S/C=C/C(=O)c2ccc(Cl)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M16 compound treatment 0.431 0.00956 0.3 0.442 -0.0039 -0.12 0.1308 0.4061 1718236 Maybridge4_000632 Cn1c(=O)cc(N2CCOCC2)c3c(=O)n(c4ccccc4)c(=O)n(c5ccccc5)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M17 compound treatment 0.425 0.00356 0.11 0.447 0.0011 0.03 0.1022 0.8761 3178825 Maybridge4_000633 CC(=O)NC1=NN(C(N1C(=O)C)c2cccc3ccccc23)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M18 compound treatment 0.448 0.0266 0.84 0.448 0.0021 0.06 0.6345 0.7576 1286292 Maybridge4_000634 O=C(NC(C(=O)c1ccccc1)n2cnccc2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M19 compound treatment 0.467 0.0456 1.43 0.476 0.0301 0.89 1.6436 0.974 1171458 Maybridge4_000635 OC(COCc1ccccc1)Cn2c3ccccc3c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M20 compound treatment 0.421 -4.38E-4 -0.01 0.42 -0.0259 -0.77 -0.5525 -0.7197 3062720 Maybridge4_000636 C/S(=N\S(=O)(=O)c1ccc(C)cc1)/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M21 compound treatment 0.463 0.0416 1.31 0.467 0.0211 0.63 1.3661 0.943 1311339 Maybridge4_000637 O=C(C(C#N)c1nc2ccccc2[nH]1)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M22 compound treatment 0.42 -0.00144 -0.05 0.436 -0.0099 -0.29 -0.2395 -0.8065 1645478 Maybridge4_000638 COC(=O)C1C([C@H]2c3ccccc3[C@@H]1c4ccccc24)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M23 mock treatment 0.418 -0.00344 -0.11 0.438 -0.0079 -0.23 -0.242 -0.9383 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 M24 mock treatment 0.423 0.00156 0.05 0.458 0.0121 0.36 0.2882 0.7966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N01 compound treatment 0.446 0.0246 0.77 0.475 0.0291 0.86 1.1558 0.9985 1273203 Maybridge4_000639 CN(C)CC1(CC(=O)O)CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N02 compound treatment 0.401 -0.0204 -0.64 0.429 -0.0169 -0.5 -0.8086 -0.9924 3178826 Maybridge4_000640 NN/C(=N/S(=O)(=O)c1ccccc1)/N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N03 compound treatment 0.447 0.0256 0.8 0.458 0.0121 0.36 0.8218 0.9338 3062722 Maybridge4_000641 O=C1NC(=O)C(=C/C=C/c2ccccc2)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N04 compound treatment 0.417 -0.00444 -0.14 0.425 -0.0209 -0.62 -0.5366 -0.8452 1678177 Maybridge4_000642 COc1cccc(OC)c1C(=O)Nc2ccccc2NC(=O)c3c(OC)cccc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N05 compound treatment 0.422 5.62E-4 0.02 0.424 -0.0219 -0.65 -0.4464 -0.6876 1073885 Maybridge4_000643 CCOc1ccc(CCC(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N06 compound treatment 0.427 0.00556 0.17 0.427 -0.0189 -0.56 -0.2724 -0.4642 3178827 Maybridge4_000644 CS/C(=N\S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N07 compound treatment 0.44 0.0186 0.58 0.434 -0.0119 -0.35 0.1633 0.2395 3062723 Maybridge4_000645 Oc1noc(O)c1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N08 compound treatment 0.42 -0.00144 -0.05 0.43 -0.0159 -0.47 -0.3652 -0.7714 3062724 Maybridge4_000646 NC(=S)NC1CC2CC1C=C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N09 compound treatment 0.403 -0.0184 -0.58 0.419 -0.0269 -0.8 -0.9736 -0.9878 3178828 Maybridge4_000647 CCNc1cc(N)[n+](CC)c2[nH]nc(N)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N10 compound treatment 0.425 0.00356 0.11 0.446 9.68E-5 0.0 0.0812 0.725 1512370 Maybridge4_000648 COc1ccc(cc1CN2CCOCC2)c3cc(c4ccccc4)c(nn3)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N11 compound treatment 0.402 -0.0194 -0.61 0.425 -0.0209 -0.62 -0.8702 -1.0 1288584 Maybridge4_000649 S=C(NC1CC2CC1C=C2)N(CCC#N)Cc3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N12 compound treatment 0.421 -4.38E-4 -0.01 0.453 0.0071 0.21 0.139 0.6594 3178829 Maybridge4_000650 CC(=O)NCc1c(F)cccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N13 compound treatment 0.433 0.0116 0.36 0.453 0.0071 0.21 0.4058 0.9661 1566685 Maybridge4_000651 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(SC)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N14 compound treatment 0.386 -0.0354 -1.11 0.419 -0.0269 -0.8 -1.3516 -0.9865 3062725 Maybridge4_000652 Fc1cccc(Cl)c1CSc2ccccc2C3=NCCCN3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N15 compound treatment 0.449 0.0276 0.87 0.466 0.0201 0.6 1.0339 0.9832 3178830 Maybridge4_000653 Cc1c(C)c(C)c(CSC2=NCCS2)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N16 compound treatment 0.417 -0.00444 -0.14 0.427 -0.0189 -0.56 -0.4947 -0.8571 3062726 Maybridge4_000654 Clc1cc(C[n+]2ccccc2)c3OCOCc3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N17 compound treatment 0.418 -0.00344 -0.11 0.426 -0.0199 -0.59 -0.4935 -0.823 3062727 Maybridge4_000655 Cn1c(S)nnc1CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N18 compound treatment 0.418 -0.00344 -0.11 0.428 -0.0179 -0.53 -0.4515 -0.834 3178831 Maybridge4_000656 CC1CC(C)CN(C1)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N19 compound treatment 0.407 -0.0144 -0.45 0.439 -0.0069 -0.2 -0.4656 -0.9352 3178832 Maybridge4_000657 N#Cc1cccc(CSc2nnc(SCc3cccc(C#N)c3)s2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N20 compound treatment 0.436 0.0146 0.46 0.446 9.68E-5 0.0 0.3258 0.7115 3062728 Maybridge4_000658 CC1(C)ON(C(=N1)NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N21 compound treatment 0.42 -0.00144 -0.05 0.444 -0.0019 -0.06 -0.0718 -0.994 3178833 Maybridge4_000659 CC1N=C(SCC#N)N2C(C)N=C(SCC#N)N12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N22 compound treatment 0.405 -0.0164 -0.52 0.443 -0.0029 -0.09 -0.4263 -0.8136 1490971 Maybridge4_000660 Nc1ccccc1C(=O)NCc2c(F)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N23 mock treatment 0.419 -0.00244 -0.08 0.433 -0.0129 -0.38 -0.3246 -0.8323 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 N24 mock treatment 0.44 0.0186 0.58 0.485 0.0391 1.16 1.2319 0.9496 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O01 compound treatment 0.455 0.0336 1.06 0.494 0.0481 1.43 1.754 0.9891 3178834 Maybridge4_000661 COc1ccccc1C2OC(=O)C[C@H]2C(=O)Oc3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O02 compound treatment 0.42 -0.00144 -0.05 0.444 -0.0019 -0.06 -0.0718 -0.994 3178835 Maybridge4_000662 FC(F)(F)c1cc(NC(=S)NCCN2CCNC2=O)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O03 compound treatment 0.389 -0.0324 -1.02 0.418 -0.0279 -0.83 -1.3059 -0.9946 1251917 Maybridge4_000663 Cc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)c4CCCc41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O04 compound treatment 0.445 0.0236 0.74 0.473 0.0271 0.8 1.0916 0.9992 3178836 Maybridge4_000664 Cc1ccccc1NC2=NCC(C)(C)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O05 compound treatment 0.411 -0.0104 -0.33 0.448 0.0021 0.06 -0.1881 -0.5632 1342095 Maybridge4_000665 NC(=O)C1c2ccccc2Oc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O06 compound treatment 0.42 -0.00144 -0.05 0.45 0.0041 0.12 0.0539 0.4159 3178916 Maybridge4_000666 CC(C)(C)NC(=O)Oc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O07 compound treatment 0.432 0.0106 0.33 0.467 0.0211 0.63 0.6769 0.9562 1101019 Maybridge4_000667 CC(C)(C)c1cc(c2oc(cc(=O)c2c1)C(=O)O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O08 compound treatment 0.415 -0.00644 -0.2 0.442 -0.0039 -0.12 -0.2249 -0.9648 1485865 Maybridge4_000668 Clc1ccc(OC2CN(C2)C(=O)NCC=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O09 compound treatment 0.45 0.0286 0.9 0.475 0.0291 0.86 1.2447 0.9998 3178917 Maybridge4_000669 O=C(Oc1ccc2ccccc2c1)C3c4ccccc4Oc5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O10 compound treatment 0.432 0.0106 0.33 0.46 0.0141 0.42 0.5302 0.9935 1074403 Maybridge4_000670 C1CCC(CC1)Nc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O11 compound treatment 0.441 0.0196 0.62 0.468 0.0221 0.65 0.8979 0.9995 1171317 Maybridge4_000671 COc1cc(OC)cc(c1)C(C)(C)OC(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O12 compound treatment 0.443 0.0216 0.68 0.465 0.0191 0.57 0.8795 0.996 1302360 Maybridge4_000672 OC(=O)Cc1cncc(Br)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O13 compound treatment 0.467 0.0456 1.43 0.49 0.0441 1.31 1.937 0.9989 3063089 Maybridge4_000673 C/C(=N\O)/c1c(O)c2ccccc2n(C)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O14 compound treatment 0.444 0.0226 0.71 0.477 0.0311 0.92 1.1532 0.9917 1915396 Maybridge4_000674 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(=O)[nH]cnc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O15 compound treatment 0.464 0.0426 1.34 0.481 0.0351 1.04 1.6817 0.9922 1665055 Maybridge4_000675 CC(=O)OCc1ccccc1Sc2ccccc2C(=O)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O16 compound treatment 0.439 0.0176 0.55 0.469 0.0231 0.68 0.8744 0.9943 3063091 Maybridge4_000676 CN1C(=O)/C(=C\NCc2ccccc2)/C(=O)c3c1n(C)c(=O)n(C)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O17 compound treatment 0.432 0.0106 0.33 0.478 0.0321 0.95 0.9074 0.9007 3178918 Maybridge4_000677 COC(=O)c1cc(=O)nc2O[C@@H]3C(O)[C@@H](CO)OC3n21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O18 compound treatment 0.434 0.0126 0.4 0.478 0.0321 0.95 0.9518 0.9242 1458724 Maybridge4_000678 OC(=O)CCC1(CC2CC3CC(O)(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O19 compound treatment 0.427 0.00556 0.17 0.472 0.0261 0.77 0.6705 0.8457 3178919 Maybridge4_000679 CCn1c2ccc(Cl)cc2c3cc(Cl)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O20 compound treatment 0.432 0.0106 0.33 0.453 0.0071 0.21 0.3835 0.9757 1547077 Maybridge4_000680 Cc1ccc(cc1)S(=O)(=O)N=S(Cc2ccccc2)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O21 compound treatment 0.434 0.0126 0.4 0.462 0.0161 0.48 0.6166 0.9956 3063093 Maybridge4_000681 CC(C)(C)c1ccc(=O)[nH]n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O22 compound treatment 0.449 0.0276 0.87 0.486 0.0401 1.19 1.453 0.988 3178920 Maybridge4_000682 Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O23 mock treatment 0.446 0.0246 0.77 0.479 0.0331 0.98 1.2396 0.993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 O24 mock treatment 0.45 0.0286 0.9 0.492 0.0461 1.37 1.6009 0.9793 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P01 compound treatment 0.461 0.0396 1.24 0.55 0.104 3.08 3.0607 0.9203 3063094 Maybridge4_000683 COC(=O)/C=C/c1cn(C2OCC(CO)C2O)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P02 compound treatment 0.452 0.0306 0.96 0.484 0.0381 1.13 1.4778 0.9968 3178921 Maybridge4_000684 NNC(=O)CS(=O)Cc1cccc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P03 compound treatment 0.446 0.0246 0.77 0.485 0.0391 1.16 1.3653 0.9806 3063095 Maybridge4_000685 O=C1NC(=O)C(=Cc2cccc3ccccc23)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P04 compound treatment 0.448 0.0266 0.84 0.5 0.0541 1.6 1.7241 0.9538 3178922 Maybridge4_000686 O/N=C/c1ccc(o1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P05 compound treatment 0.442 0.0206 0.65 0.508 0.0621 1.84 1.7583 0.9015 1352669 Maybridge4_000687 COc1cccc(NC(=S)NC(Cc2ccccc2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P06 compound treatment 0.434 0.0126 0.4 0.465 0.0191 0.57 0.6794 0.9846 1145524 Maybridge4_000688 Clc1ccc(Cl)c(NC(=S)Nc2ccc(nc2)N3CCOCC3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P07 compound treatment 0.446 0.0246 0.77 0.492 0.0461 1.37 1.512 0.9636 1152510 Maybridge4_000689 COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P08 compound treatment 0.437 0.0156 0.49 0.492 0.0461 1.37 1.3119 0.9042 3063149 Maybridge4_000690 Clc1ccccc1NC(=O)CC2SC(=NC2=O)NC3CC4CC3C=C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P09 compound treatment 0.471 0.0496 1.56 0.514 0.0681 2.02 2.5288 0.9918 3178923 Maybridge4_000691 CCNc1cc(N)[n+](CC)c2[nH]nc(/N=C/c3cc(Cl)cc(Cl)c3O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P10 compound treatment 0.435 0.0136 0.43 0.5 0.0541 1.6 1.435 0.8651 3063150 Maybridge4_000692 N/C(=N\O)/CN1CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P11 compound treatment 0.438 0.0166 0.52 0.48 0.0341 1.01 1.0827 0.9525 1138088 Maybridge4_000693 S=C(NC1CC2CC1C=C2)N(CCC#N)CC3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P12 compound treatment 0.485 0.0636 2.0 0.533 0.0871 2.58 3.2382 0.992 3063152 Maybridge4_000694 Fc1cccc(Cl)c1CSC2=NCCN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P13 compound treatment 0.436 0.0146 0.46 0.512 0.0661 1.96 1.7087 0.8495 1637772 Maybridge4_000695 Cc1onc(c1C(=O)N2CCCN3C2c4ccccc4C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P14 compound treatment 0.444 0.0226 0.71 0.504 0.0581 1.72 1.7189 0.9232 3063153 Maybridge4_000696 Nn1c(nc2ccccc2c1=O)C(=O)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P15 compound treatment 0.465 0.0436 1.37 0.512 0.0661 1.96 2.3535 0.9847 1322891 Maybridge4_000697 CCOC(=O)CCc1ccc(OCc2c(C)c(C)c(C)c(C)c2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P16 compound treatment 0.452 0.0306 0.96 0.502 0.0561 1.66 1.8549 0.9661 3063154 Maybridge4_000698 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P17 compound treatment 0.446 0.0246 0.77 0.492 0.0461 1.37 1.512 0.9636 1180785 Maybridge4_000699 Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)C3CCC3)c2)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P18 compound treatment 0.459 0.0376 1.18 0.522 0.0761 2.25 2.4296 0.9545 3063155 Maybridge4_000700 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NC(=N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P19 compound treatment 0.451 0.0296 0.93 0.509 0.0631 1.87 1.9793 0.948 3178924 Maybridge4_000701 N/C(=N\O)/Cc1nc(cs1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P20 compound treatment 0.45 0.0286 0.9 0.483 0.0371 1.1 1.4123 0.995 3063157 Maybridge4_000702 Cc1nnsc1C(=O)NC(=O)Nc2cc(Cl)cc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P21 compound treatment 0.472 0.0506 1.59 0.501 0.0551 1.63 2.2786 0.9999 3178925 Maybridge4_000703 CC1(C)NN(C(=N1)S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P22 compound treatment 0.484 0.0626 1.97 0.521 0.0751 2.23 2.9645 0.9981 3063158 Maybridge4_000704 CSc1nc(nc(SC)c1Cl)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P23 mock treatment 0.466 0.0446 1.4 0.496 0.0501 1.48 2.0405 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2050 P24 mock treatment 0.471 0.0496 1.56 0.524 0.0781 2.31 2.7383 0.9815 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A01 compound treatment 0.467 0.032 1.01 0.401 0.00903 0.27 0.9015 0.865 3063827 Maybridge4_001761 Cc1noc(C)c1S(=O)(=O)NCC2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A02 compound treatment 0.465 0.03 0.94 0.417 0.025 0.74 1.1923 0.9929 3179242 Maybridge4_001762 COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A03 compound treatment 0.449 0.014 0.44 0.412 0.02 0.59 0.7317 0.9893 3063828 Maybridge4_001763 COc1ccc(cc1)c2nnsc2N3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A04 compound treatment 0.388 -0.047 -1.48 0.363 -0.029 -0.86 -1.6512 -0.9667 3179243 Maybridge4_001764 CCn1c(Cn2nnc3ccccc23)nnc1SCC(=O)c4ccc(Br)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A05 compound treatment 0.48 0.045 1.42 0.45 0.058 1.72 2.2172 0.9953 3179244 Maybridge4_001765 C1Cc2cc(ccc2O1)C3Nc4ccccc4-c5cccn35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A06 compound treatment 0.418 -0.017 -0.53 0.403 0.011 0.33 -0.1461 -0.2335 3063829 Maybridge4_001766 S=C(Nc1ccccc1)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A07 compound treatment 0.401 -0.034 -1.07 0.379 -0.013 -0.38 -1.0269 -0.9048 3179245 Maybridge4_001767 O=S(=O)(NCc1ccco1)c2ccc(Oc3c(C#N)cccc3C#N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A08 compound treatment 0.411 -0.024 -0.75 0.399 0.00703 0.21 -0.3855 -0.4931 3063830 Maybridge4_001768 Nc1nc(Sc2nnc(c3ccncc3)n2c4ccccc4)ncc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A09 compound treatment 0.411 -0.024 -0.75 0.406 0.014 0.42 -0.2389 -0.2775 3179246 Maybridge4_001769 Clc1ccc(COC(=O)c2ccc3ccccc3n2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A10 compound treatment 0.403 -0.032 -1.01 0.398 0.00603 0.18 -0.5843 -0.5724 3063831 Maybridge4_001770 O=C(CSc1nnc(o1)c2ccncc2)NC(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A11 compound treatment 0.417 -0.018 -0.56 0.404 0.012 0.36 -0.1474 -0.2206 1526124 Maybridge4_001771 S=c1[nH]nc(c2ccncc2)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A12 compound treatment 0.409 -0.026 -0.82 0.414 0.022 0.65 -0.1157 -0.1107 3179247 Maybridge4_001772 S=c1[nH]c(=S)c2cnc(nc2[nH]1)N3CCc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A13 compound treatment 0.399 -0.036 -1.13 0.409 0.017 0.5 -0.4428 -0.3576 3063832 Maybridge4_001773 Cc1cc(C)c2c(n1)sc3c(=O)n(/N=C/c4ccccc4)cnc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A14 compound treatment 0.389 -0.046 -1.45 0.395 0.00303 0.09 -0.9585 -0.6619 3179248 Maybridge4_001774 Fc1ccc(Cn2nc3sc4ccccc4n3c(=O)c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A15 compound treatment 0.399 -0.036 -1.13 0.379 -0.013 -0.38 -1.0714 -0.897 3063833 Maybridge4_001775 Clc1ccccc1Cn2nnc3c(=S)[nH]cnc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A16 compound treatment 0.407 -0.028 -0.88 0.39 -0.00197 -0.06 -0.663 -0.7524 3179249 Maybridge4_001776 CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc2cc(C)nn2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A17 compound treatment 0.412 -0.023 -0.72 0.417 0.025 0.74 0.0139 0.0134 3063834 Maybridge4_001777 CCOC(=O)c1nnn2c1nc(N(CC)CC)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A18 compound treatment 0.395 -0.04 -1.26 0.39 -0.00197 -0.06 -0.9298 -0.7391 3179250 Maybridge4_001778 Cc1cc(C)c2c(n1)sc3c(=O)n(NC(=O)Nc4ccccc4)c(C)nc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A19 compound treatment 0.418 -0.017 -0.53 0.391 -9.69E-4 -0.03 -0.3975 -0.7441 3063835 Maybridge4_001779 CCOC(=O)c1nn(c2ccccc2)c3nc(=O)c(C#N)c(c4ccccc4)n13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A20 compound treatment 0.389 -0.046 -1.45 0.372 -0.02 -0.59 -1.4404 -0.9223 3179251 Maybridge4_001780 O=C(Cn1c(=O)n(c2ccccc2)c(=O)c3cc(sc13)c4ccccc4)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A21 compound treatment 0.401 -0.034 -1.07 0.38 -0.012 -0.35 -1.006 -0.8939 3179252 Maybridge4_001781 COc1ccc(cc1)n2ncc(NC(=O)NCc3ccccn3)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A22 compound treatment 0.4 -0.035 -1.1 0.382 -0.00997 -0.3 -0.9863 -0.8664 3063836 Maybridge4_001782 COc1ccc(/C=C/2\N=C(N(/N=C/c3cccnc3)C2=O)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A23 mock treatment 0.429 -0.00597 -0.19 0.377 -0.015 -0.44 -0.4463 -0.9267 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 A24 mock treatment 0.415 -0.02 -0.63 0.383 -0.00897 -0.27 -0.6318 -0.9268 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B01 compound treatment 1.233 0.798 25.09 0.393 0.00103 0.03 17.765 0.708 3179253 Maybridge4_001783 OC(=O)CSc1nnc([nH]1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B02 compound treatment 0.458 0.023 0.72 0.436 0.044 1.3 1.4347 0.9614 3063837 Maybridge4_001784 O=c1oc2=C(c3ccccc3)S(=O)(=O)C(=c2o1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B03 compound treatment 0.458 0.023 0.72 0.382 -0.00997 -0.3 0.3033 0.3877 3179254 Maybridge4_001785 Cc1cc(C)c2c3NC(=O)CN(C(=O)c3sc2n1)c4ccccc4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B04 compound treatment 0.444 0.00903 0.28 0.395 0.00303 0.09 0.2644 0.8874 1701942 Maybridge4_001786 COc1ccc(cc1)N2C(=O)Cc3ccc(OC)cc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B05 compound treatment 0.413 -0.022 -0.69 0.379 -0.013 -0.38 -0.7601 -0.9617 3179255 Maybridge4_001787 Clc1ccc(cc1)n2c(=N)c3cnc(nc3[nH]c2=O)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B06 compound treatment 0.394 -0.041 -1.29 0.378 -0.014 -0.41 -1.2035 -0.8895 1588538 Maybridge4_001788 Cc1oc2cc(O)ccc2c(=O)c1Oc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B07 compound treatment 0.408 -0.027 -0.85 0.382 -0.00997 -0.3 -0.8084 -0.9004 3179256 Maybridge4_001789 COc1ccc(cc1)n/2c(cs\c2=N/Cc3cccnc3)c4cccc(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B08 compound treatment 0.409 -0.026 -0.82 0.397 0.00503 0.15 -0.4719 -0.5686 3179257 Maybridge4_001790 O=C(c1ccccc1)c2cccc(NC=C3C(=O)NC(=O)NC3=O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B09 compound treatment 0.452 0.017 0.54 0.43 0.038 1.13 1.1756 0.9422 1289329 Maybridge4_001791 O=C1C(=C(c2ccccc2)S(=O)(=O)c3ccccc13)Cc4ccc(cc4)c5nnn[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B10 compound treatment 0.425 -0.00997 -0.31 0.404 0.012 0.36 0.0305 0.0643 1270319 Maybridge4_001792 O=C(c1ccccn1)c2ccc3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B11 compound treatment 0.404 -0.031 -0.97 0.385 -0.00697 -0.21 -0.8345 -0.8384 1356935 Maybridge4_001793 C1C2CC3CC1CC(C2)(C3)c4cn5ccccc5n4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B12 compound treatment 0.426 -0.00897 -0.28 0.398 0.00603 0.18 -0.073 -0.2186 1489551 Maybridge4_001794 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N2CCC(CC2)NC(=O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B13 compound treatment 0.404 -0.031 -0.97 0.379 -0.013 -0.38 -0.9602 -0.9173 3063861 Maybridge4_001795 CC(=O)O[C@@H]1[C@H]2CO[C@H](O2)[C@H](OC(=O)C)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B14 compound treatment 0.409 -0.026 -0.82 0.376 -0.016 -0.47 -0.9119 -0.9664 1649672 Maybridge4_001796 COc1cc(C(=O)CCC(=O)O)c(OC)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B15 compound treatment 0.421 -0.014 -0.44 0.382 -0.00997 -0.3 -0.5194 -0.9814 1471910 Maybridge4_001797 Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B16 compound treatment 0.429 -0.00597 -0.19 0.398 0.00603 0.18 -0.0063 -0.0242 1205899 Maybridge4_001798 CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B17 compound treatment 0.413 -0.022 -0.69 0.391 -9.69E-4 -0.03 -0.5087 -0.7359 3063863 Maybridge4_001799 CC(=O)Nc1ccc2oc(cc(=O)c2c1)c3ccc(C#N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B18 compound treatment 0.449 0.014 0.44 0.423 0.031 0.92 0.9622 0.9434 3179258 Maybridge4_001800 Cc1c(sc2nc(C)cc(C)c12)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B19 compound treatment 0.379 -0.056 -1.76 0.366 -0.026 -0.77 -1.7884 -0.9312 3063864 Maybridge4_001801 CC(O)/C=C\c1cc[n+](C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B20 compound treatment 0.41 -0.025 -0.79 0.38 -0.012 -0.35 -0.8059 -0.9355 3179259 Maybridge4_001802 O=C(NC(=S)NC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B21 compound treatment 0.402 -0.033 -1.04 0.393 0.00103 0.03 -0.7113 -0.686 1176828 Maybridge4_001803 COC(=O)C1C(C(C(=O)OC)S(=O)(=O)CS1(=O)=O)c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B22 compound treatment 0.448 0.013 0.41 0.406 0.014 0.42 0.5838 1.0 1288189 Maybridge4_001804 COC(=O)C1=C(C)NC(=C(C1)C(=O)OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B23 mock treatment 0.412 -0.023 -0.72 0.39 -0.00197 -0.06 -0.5519 -0.7617 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 B24 mock treatment 0.44 0.00503 0.16 0.396 0.00403 0.12 0.1964 0.9904 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C01 compound treatment 0.434 -9.66E-4 -0.03 0.372 -0.02 -0.59 -0.4399 -0.7424 3179260 Maybridge4_001805 O=S(=O)(NCC1COc2ccccc2O1)c3ccc(s3)S(=O)(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C02 compound treatment 0.438 0.00303 0.1 0.401 0.00903 0.27 0.2567 0.9035 3063865 Maybridge4_001806 Fc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)c5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C03 compound treatment 0.42 -0.015 -0.47 0.383 -0.00897 -0.27 -0.5207 -0.9634 3179353 Maybridge4_001807 COc1ccc(cc1OC)C(=O)NCc2ccc(C#N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C04 compound treatment 0.428 -0.00697 -0.22 0.397 0.00503 0.15 -0.0495 -0.1867 3063866 Maybridge4_001808 O=C(Oc1c(c2ccccc2)c(=O)n3CCc4cccc1c43)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C05 compound treatment 0.405 -0.03 -0.94 0.385 -0.00697 -0.21 -0.8123 -0.8421 3179354 Maybridge4_001809 FC(F)(F)c1ccc(cc1)c2nnc(SCc3ccncc3)n2Cc4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C06 compound treatment 0.422 -0.013 -0.41 0.4 0.00803 0.24 -0.12 -0.2542 3063867 Maybridge4_001810 CCOC(=O)c1nnn2c1nc(Sc3nc4ccccc4o3)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C07 compound treatment 0.414 -0.021 -0.66 0.375 -0.017 -0.5 -0.8217 -0.9911 3179355 Maybridge4_001811 COc1cccc(Cc2nnc(o2)c3c(C)onc3c4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C08 compound treatment 0.454 0.019 0.6 0.431 0.039 1.16 1.241 0.953 3179356 Maybridge4_001812 C=CCn1c(=S)sc2c(Sc3nnc(o3)c4ccco4)ncnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C09 compound treatment 0.398 -0.037 -1.16 0.384 -0.00797 -0.24 -0.9889 -0.8337 3063868 Maybridge4_001813 Clc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c4ccccc4c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C10 compound treatment 0.392 -0.043 -1.35 0.372 -0.02 -0.59 -1.3737 -0.9314 3179357 Maybridge4_001814 Nc1nc(SCC(=O)NC(=O)Nc2ccccc2)ncc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C11 compound treatment 0.426 -0.00897 -0.28 0.409 0.017 0.5 0.1575 0.2725 2099392 Maybridge4_001815 Cc1nc2ccc(F)cc2c3N(CCc31)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C12 compound treatment 0.418 -0.017 -0.53 0.413 0.021 0.62 0.0635 0.0773 3179358 Maybridge4_001816 C=CCSc1ncc2c(=S)[nH]c(=S)[nH]c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C13 compound treatment 0.414 -0.021 -0.66 0.388 -0.00397 -0.12 -0.5493 -0.8203 3179359 Maybridge4_001817 Cc1cc(C)c2c(n1)sc3c(SCC(=O)c4ccc(Br)cc4)ncnc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C14 compound treatment 0.399 -0.036 -1.13 0.376 -0.016 -0.47 -1.1342 -0.9252 3063869 Maybridge4_001818 C=CCn1nc2sc3ccccc3n2c(=O)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C15 compound treatment 0.402 -0.033 -1.04 0.373 -0.019 -0.56 -1.1304 -0.9587 3179360 Maybridge4_001819 COc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C16 compound treatment 0.41 -0.025 -0.79 0.4 0.00803 0.24 -0.3868 -0.4716 3063871 Maybridge4_001820 CCOC(=O)c1c(C)c(C)sc1NC(=S)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C17 compound treatment 0.409 -0.026 -0.82 0.389 -0.00297 -0.09 -0.6395 -0.7788 3179361 Maybridge4_001821 CCOC(=O)c1nnn2c1nc(N3CCN(CC3)c4ccccc4)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C18 compound treatment 0.44 0.00503 0.16 0.416 0.024 0.71 0.6155 0.8437 3063872 Maybridge4_001822 Cc1cc(C)c2c(=O)n(sc2n1)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C19 compound treatment 0.412 -0.023 -0.72 0.392 3.13E-5 0.0 -0.51 -0.7062 3179362 Maybridge4_001823 COc1ccc(cc1)C2C(=C(N)N3CCc4cc(OC)c(OC)cc4C3=C2C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C20 compound treatment 0.398 -0.037 -1.16 0.386 -0.00597 -0.18 -0.9469 -0.8054 3063873 Maybridge4_001824 CNC(=O)NC(=O)Cn1cnc2sc(cc2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C21 compound treatment 0.417 -0.018 -0.56 0.378 -0.014 -0.41 -0.6921 -0.9883 3179363 Maybridge4_001825 COc1cc2CCN3C(N(N=C3C(=O)c4cccs4)c5ccccc5)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C22 compound treatment 0.402 -0.033 -1.04 0.376 -0.016 -0.47 -1.0675 -0.9369 3063874 Maybridge4_001826 Fc1ccc(/C=N/N2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C23 mock treatment 0.405 -0.03 -0.94 0.369 -0.023 -0.68 -1.1475 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 C24 mock treatment 0.432 -0.00297 -0.09 0.38 -0.012 -0.35 -0.3167 -0.8637 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D01 compound treatment 0.459 0.024 0.76 0.392 3.13E-5 0.0 0.535 0.708 3179364 Maybridge4_001827 CCOC(=O)CSc1nc(Nc2ccc(OC)cc2)c3cnc(nc3n1)N(CC)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D02 compound treatment 0.412 -0.023 -0.72 0.37 -0.022 -0.65 -0.9709 -0.9987 1016783 Maybridge4_001828 CSc1ncnc2[nH]cnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D03 compound treatment 0.417 -0.018 -0.56 0.376 -0.016 -0.47 -0.734 -0.9961 3179365 Maybridge4_001829 CCOC(=O)CSc1nc(Nc2ccccc2)c3cnc(nc3n1)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D04 compound treatment 0.409 -0.026 -0.82 0.364 -0.028 -0.83 -1.1633 -1.0 3063875 Maybridge4_001830 CCn1c(C)[n+](CC)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D05 compound treatment 0.414 -0.021 -0.66 0.385 -0.00697 -0.21 -0.6122 -0.8861 3179366 Maybridge4_001831 Nc1c(C#N)c(cc2c3ccccc3oc(=O)c12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D06 compound treatment 0.392 -0.043 -1.35 0.359 -0.033 -0.98 -1.6461 -0.9873 1156367 Maybridge4_001832 CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D07 compound treatment 0.401 -0.034 -1.07 0.725 0.333 9.87 6.2227 0.6269 3179367 Maybridge4_001833 CC(/C=N/N1C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D08 compound treatment 0.526 0.091 2.86 0.389 -0.00297 -0.09 1.9618 0.6851 3063876 Maybridge4_001834 COC(=O)c1sc(=S)sc1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D09 compound treatment 0.428 -0.00697 -0.22 0.389 -0.00297 -0.09 -0.2171 -0.9197 1027030 Maybridge4_001835 Clc1ccc2OC(CC(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D10 compound treatment 0.395 -0.04 -1.26 0.369 -0.023 -0.68 -1.3698 -0.9585 1567173 Maybridge4_001836 C=CCN1C(=O)NC2(CCCCC2)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D11 compound treatment 0.411 -0.024 -0.75 0.393 0.00103 0.03 -0.5112 -0.6779 1014811 Maybridge4_001837 O=C(N(C(=O)c1ccccc1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D12 compound treatment 0.401 -0.034 -1.07 0.372 -0.02 -0.59 -1.1736 -0.9612 1422860 Maybridge4_001838 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D13 compound treatment 0.414 -0.021 -0.66 0.378 -0.014 -0.41 -0.7588 -0.9749 3063327 Maybridge4_001839 CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Cl)cc3)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D14 compound treatment 0.409 -0.026 -0.82 0.381 -0.011 -0.33 -0.8071 -0.9185 1403045 Maybridge4_001840 COc1cc(c(OC)cc1C)c2cc(OC)c(C)cc2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D15 compound treatment 0.395 -0.04 -1.26 0.376 -0.016 -0.47 -1.2232 -0.9109 1267535 Maybridge4_001841 OC(=O)C(Sc1ccccc1C(=O)O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D16 compound treatment 0.409 -0.026 -0.82 0.379 -0.013 -0.38 -0.849 -0.9409 3063328 Maybridge4_001842 CC(C)(C)[C@H]1COC(=N1)CC2=N[C@H](CO2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D17 compound treatment 0.427 -0.00797 -0.25 0.38 -0.012 -0.35 -0.4279 -0.9855 1035033 Maybridge4_001843 O=C(C1=NNCC1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D18 compound treatment 0.394 -0.041 -1.29 0.37 -0.022 -0.65 -1.3711 -0.95 1414609 Maybridge4_001844 CC(=O)Oc1ccc2c(=O)c(c3nc4ccccc4n3C)c(C)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D19 compound treatment 0.339 -0.096 -3.02 0.337 -0.055 -1.63 -3.2854 -0.9581 3063329 Maybridge4_001845 CC1=CC(=O)OC(C1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D20 compound treatment 0.401 -0.034 -1.07 0.363 -0.029 -0.86 -1.3622 -0.9941 1054135 Maybridge4_001846 CCc1c(O)nc2ccccn2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D21 compound treatment 0.398 -0.037 -1.16 0.362 -0.03 -0.89 -1.4498 -0.9912 1416442 Maybridge4_001847 CCN(CC)CCC1S(=O)(=O)CC(CS1(=O)=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D22 compound treatment 0.438 0.00303 0.1 0.4 0.00803 0.24 0.2357 0.9195 3179368 Maybridge4_001848 C(/N=C/c1cn(nc1c2ccccc2)c3ccccc3)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D23 mock treatment 0.409 -0.026 -0.82 0.372 -0.02 -0.59 -0.9957 -0.9875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 D24 mock treatment 0.439 0.00403 0.13 0.399 0.00703 0.21 0.237 0.9717 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E01 compound treatment 0.445 0.01 0.32 0.402 0.01 0.3 0.4333 0.9996 3063330 Maybridge4_001849 O=C(Nc1cccs1)N2CCN(CC2)C(=O)C3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E02 compound treatment 0.414 -0.021 -0.66 0.37 -0.022 -0.65 -0.9264 -1.0 3179369 Maybridge4_001850 Clc1ccc(NC(=O)N2N=C3C(CCc4ccccc34)C2c5cccs5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E03 compound treatment 0.386 -0.049 -1.54 0.352 -0.04 -1.18 -1.9261 -0.9916 3063331 Maybridge4_001851 CC(C)(C)c1cc(C(=O)NCc2ccc(C#N)cc2)n(Cc3ccccc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E04 compound treatment 0.411 -0.024 -0.75 0.369 -0.023 -0.68 -1.0141 -0.9987 3179370 Maybridge4_001852 C1Cc2ccccc2N1c3nnc(c4ccccc4)c(n3)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E05 compound treatment 0.375 -0.06 -1.89 0.34 -0.052 -1.54 -2.4222 -0.9949 3179371 Maybridge4_001853 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E06 compound treatment 0.426 -0.00897 -0.28 0.411 0.019 0.56 0.1994 0.3163 3063332 Maybridge4_001854 CCOC(=O)c1nnn2c1nc(Sc3nnc(c4ccncc4)n3C)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E07 compound treatment 0.41 -0.025 -0.79 0.385 -0.00697 -0.21 -0.7011 -0.8637 3179372 Maybridge4_001855 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E08 compound treatment 0.402 -0.033 -1.04 0.38 -0.012 -0.35 -0.9837 -0.8979 1566406 Maybridge4_001856 CNc1nc(=S)[nH]c2sc3CCCCc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E09 compound treatment 0.424 -0.011 -0.34 0.389 -0.00297 -0.09 -0.306 -0.86 3179373 Maybridge4_001857 OC[C@@H]1O[C@@H](C[C@H]1O)n2cnc3c(=O)[nH]cnc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E10 compound treatment 0.4 -0.035 -1.1 0.387 -0.00497 -0.15 -0.8815 -0.7947 3063334 Maybridge4_001858 COc1ccc(Nc2ncc(C#N)c(N)n2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E11 compound treatment 0.407 -0.028 -0.88 0.384 -0.00797 -0.24 -0.7887 -0.8663 3179374 Maybridge4_001859 CCNc1nc(=S)[nH]c2n(ncc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E12 compound treatment 0.49 0.055 1.73 0.432 0.04 1.19 2.0624 0.983 3063335 Maybridge4_001860 CCN(CC)c1ncc2c(=S)[nH]c(=S)[nH]c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E13 compound treatment 0.413 -0.022 -0.69 0.367 -0.025 -0.74 -1.0115 -0.9994 3179375 Maybridge4_001861 Cc1cc(C)c2c(n1)sc3c(Sc4nnc(o4)c5ccncc5)ncnc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E14 compound treatment 0.405 -0.03 -0.94 0.362 -0.03 -0.89 -1.2942 -0.9996 3179376 Maybridge4_001862 CCOC(=O)N1CCc2c(C1)sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E15 compound treatment 0.424 -0.011 -0.34 0.399 0.00703 0.21 -0.0965 -0.2395 3063336 Maybridge4_001863 Clc1ccccc1C2C3CCc4ccccc4C3=NN2C(=S)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E16 compound treatment 0.408 -0.027 -0.85 0.383 -0.00897 -0.27 -0.7875 -0.8862 1616264 Maybridge4_001864 CC1=NN(C(=O)C1)c2ncnc3sc4CCCCc4c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E17 compound treatment 0.422 -0.013 -0.41 0.393 0.00103 0.03 -0.2667 -0.6523 3179377 Maybridge4_001865 CCOC(=O)c1nnn2c1nc(N(Cc3ccccc3)Cc4ccccc4)c5ccccc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E18 compound treatment 0.398 -0.037 -1.16 0.376 -0.016 -0.47 -1.1565 -0.9215 3063337 Maybridge4_001866 NNC(=O)/C(=C\c1ccccc1)/NC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E19 compound treatment 0.4 -0.035 -1.1 0.361 -0.031 -0.92 -1.4263 -0.996 3179378 Maybridge4_001867 Cc1ccc(Cc2nn3c(nn(c4ccc(Cl)cc4)c3nc2=O)C(=O)c5cccs5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E20 compound treatment 0.383 -0.052 -1.63 0.359 -0.033 -0.98 -1.8462 -0.9698 3063338 Maybridge4_001868 Fc1ccc(Cn2nc3CSc4ccccc4-n3c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E21 compound treatment 0.409 -0.026 -0.82 0.373 -0.019 -0.56 -0.9748 -0.9834 3063339 Maybridge4_001869 Cc1ccc2nc(C)c3CCN(c3c2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E22 compound treatment 0.403 -0.032 -1.01 0.373 -0.019 -0.56 -1.1082 -0.9623 3179379 Maybridge4_001870 Fc1ccc(/C=C\2/N=C(N(CC(=O)c3ccco3)C2=O)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E23 mock treatment 0.412 -0.023 -0.72 0.37 -0.022 -0.65 -0.9709 -0.9987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 E24 mock treatment 0.428 -0.00697 -0.22 0.393 0.00103 0.03 -0.1333 -0.6026 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F01 compound treatment 0.448 0.013 0.41 0.406 0.014 0.42 0.5838 1.0 3179475 Maybridge4_001871 Cc1cc(nc2oc3C(=O)N(CC(=O)Nc3c12)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F02 compound treatment 0.446 0.011 0.35 0.381 -0.011 -0.33 0.0155 0.0326 1429948 Maybridge4_001872 CC1(C)C(NC(=O)C2CCCCC2)[C@]3(C)CCC1C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F03 compound treatment 0.428 -0.00697 -0.22 0.394 0.00203 0.06 -0.1123 -0.4945 3179476 Maybridge4_001873 CCN(CC)c1ncc2c(NCc3ccccc3)nc(SCc4ccccc4)nc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F04 compound treatment 0.406 -0.029 -0.91 0.386 -0.00597 -0.18 -0.7691 -0.8289 1050962 Maybridge4_001874 NC(=O)CCCCC1CCSS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F05 compound treatment 0.405 -0.03 -0.94 0.396 0.00403 0.12 -0.5818 -0.6126 3179477 Maybridge4_001875 O=C(CN1CCc2ccccc12)Nc3scc4c3c(=O)oc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F06 compound treatment 0.563 0.128 4.03 0.38 -0.012 -0.35 2.5959 0.6423 3063341 Maybridge4_001876 CC1(C)C2CCC1(C)c3noc(c23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F07 compound treatment 0.413 -0.022 -0.69 0.383 -0.00897 -0.27 -0.6763 -0.9139 1040822 Maybridge4_001877 Cc1ccc(NC(=O)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F08 compound treatment 0.397 -0.038 -1.19 0.383 -0.00897 -0.27 -1.032 -0.8439 1502018 Maybridge4_001878 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F09 compound treatment 0.445 0.01 0.32 0.428 0.036 1.07 0.9781 0.8785 3063363 Maybridge4_001879 O=C1/C(=C/c2ccc(cc2)c3nnn[nH]3)/C(Oc4ccccc14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F10 compound treatment 0.406 -0.029 -0.91 0.382 -0.00997 -0.3 -0.8529 -0.8908 3063364 Maybridge4_001880 CC1(C)NC(=O)N(CC=C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F11 compound treatment 0.388 -0.047 -1.48 0.384 -0.00797 -0.24 -1.2112 -0.8099 3063365 Maybridge4_001881 Clc1ccccc1CNC(=S)NC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F12 compound treatment 0.411 -0.024 -0.75 0.37 -0.022 -0.65 -0.9932 -0.9973 3063366 Maybridge4_001882 Fc1ccc(cc1)N(Cc2ccc(Br)cc2)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F13 compound treatment 0.444 0.00903 0.28 0.418 0.026 0.77 0.7463 0.9079 1687915 Maybridge4_001883 CC1(C)CC(=O)C=C(C1)Sc2nc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F14 compound treatment 0.406 -0.029 -0.91 0.383 -0.00897 -0.27 -0.8319 -0.8769 3063367 Maybridge4_001884 C[n+]1ccc(CCc2cc[n+](C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F15 compound treatment 0.398 -0.037 -1.16 0.392 3.13E-5 0.0 -0.8212 -0.7065 1612566 Maybridge4_001885 CCC(=O)N1N(C(=O)CC)c2cc(Cl)ccc2-n3c1nn(C(=O)CC)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F16 compound treatment 0.432 -0.00297 -0.09 0.422 0.03 0.89 0.5633 0.6296 1406161 Maybridge4_001886 CC(=O)Oc1c(I)c(=O)n(C)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F17 compound treatment 0.42 -0.015 -0.47 0.387 -0.00497 -0.15 -0.4369 -0.886 3179478 Maybridge4_001887 CCSC(=O)NC1CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F18 compound treatment 0.403 -0.032 -1.01 0.38 -0.012 -0.35 -0.9615 -0.9021 3179479 Maybridge4_001888 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F19 compound treatment 0.397 -0.038 -1.19 0.377 -0.015 -0.44 -1.1578 -0.9091 1002179 Maybridge4_001889 Clc1ccc(cc1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F20 compound treatment 0.415 -0.02 -0.63 0.381 -0.011 -0.33 -0.6737 -0.953 3063368 Maybridge4_001890 CCC(C)Sc1nnc(S)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F21 compound treatment 0.404 -0.031 -0.97 0.369 -0.023 -0.68 -1.1697 -0.9847 3179480 Maybridge4_001891 COC(=O)/C(=C/c1ccccc1)/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F22 compound treatment 0.415 -0.02 -0.63 0.378 -0.014 -0.41 -0.7366 -0.9796 1172572 Maybridge4_001892 O=c1[nH]cc(NCc2ccccc2)c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F23 mock treatment 0.424 -0.011 -0.34 0.382 -0.00997 -0.3 -0.4527 -0.997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 F24 mock treatment 0.468 0.033 1.04 0.403 0.011 0.33 0.9656 0.8868 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G01 compound treatment 0.472 0.037 1.16 0.409 0.017 0.5 1.1803 0.93 3179481 Maybridge4_001893 CCOC(=O)N1CCC(CC1)NC(=O)CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G02 compound treatment 0.429 -0.00597 -0.19 0.382 -0.00997 -0.3 -0.3415 -0.976 3179482 Maybridge4_001894 O=C1CSC2=NC3=C(CCc4ccccc34)C(N12)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G03 compound treatment 0.411 -0.024 -0.75 0.373 -0.019 -0.56 -0.9303 -0.9896 3063369 Maybridge4_001895 CCOC(=O)c1ncn(Cc2ccccc2)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G04 compound treatment 0.395 -0.04 -1.26 0.367 -0.025 -0.74 -1.4118 -0.9681 3063370 Maybridge4_001896 S=c1[nH]nc(Cn2nnc3ccccc23)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G05 compound treatment 0.384 -0.051 -1.6 0.356 -0.036 -1.07 -1.8868 -0.9804 3179483 Maybridge4_001897 COc1cccc(Cc2nnc(o2)c3ccc(s3)c4cccs4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G06 compound treatment 0.406 -0.029 -0.91 0.388 -0.00397 -0.12 -0.7272 -0.7918 3063371 Maybridge4_001898 Cn1nc2c3ccccc3n(Cc4ccccc4)c2nc1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G07 compound treatment 0.412 -0.023 -0.72 0.395 0.00303 0.09 -0.4471 -0.6144 3179484 Maybridge4_001899 CCOC(=O)c1cnn(C(=O)Cc2cccc(OC)c2)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G08 compound treatment 0.408 -0.027 -0.85 0.391 -9.69E-4 -0.03 -0.6198 -0.7306 1696254 Maybridge4_001900 COc1cc(OC)c2nc(C)c3CCSc3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G09 compound treatment 0.411 -0.024 -0.75 0.377 -0.015 -0.44 -0.8465 -0.9681 3179485 Maybridge4_001901 CC(=O)Nc1ccccc1OCC2CC(=NO2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G10 compound treatment 0.418 -0.017 -0.53 0.379 -0.013 -0.38 -0.6489 -0.987 3179486 Maybridge4_001902 C1Sc2nnc(c3ccccc3)n2N=C1c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G11 compound treatment 0.419 -0.016 -0.5 0.39 -0.00197 -0.06 -0.3962 -0.784 3063373 Maybridge4_001903 S=c1nc(Nc2ccccc2)c3cnn(c4ccccc4)c3[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G12 compound treatment 0.485 0.05 1.57 0.551 0.159 4.71 4.4446 0.8946 3179487 Maybridge4_001904 CN1CCN(CC1)c2ncc3c(=S)[nH]c(=S)[nH]c3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G13 compound treatment 0.429 -0.00597 -0.19 0.415 0.023 0.68 0.3499 0.4944 3063374 Maybridge4_001905 CCn1c(Sc2ncnc3c2sc4nc(C)cc(C)c43)nnc1c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G14 compound treatment 0.417 -0.018 -0.56 0.382 -0.00997 -0.3 -0.6083 -0.9543 3179488 Maybridge4_001906 CCOC(=O)N1CCc2c(C(=O)OCC)c(NC(=S)N3CCc4ccccc34)sc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G15 compound treatment 0.438 0.00303 0.1 0.401 0.00903 0.27 0.2567 0.9035 3179489 Maybridge4_001907 CCNC(=S)N1N=C2C(CCc3ccccc23)C1c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G16 compound treatment 0.419 -0.016 -0.5 0.387 -0.00497 -0.15 -0.4591 -0.8775 1303898 Maybridge4_001908 CC1=NN(C(=O)C1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G17 compound treatment 0.434 -9.66E-4 -0.03 0.391 -9.69E-4 -0.03 -0.0418 -0.9996 3063375 Maybridge4_001909 CCOC(=O)C1=NN(C2N1CCc3cc(OC)c(OC)cc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G18 compound treatment 0.405 -0.03 -0.94 0.377 -0.015 -0.44 -0.9799 -0.9409 3179490 Maybridge4_001910 COc1cc(/C=C\2/N=C(N(C)C2=O)c3ccccc3)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G19 compound treatment 0.406 -0.029 -0.91 0.396 0.00403 0.12 -0.5596 -0.6091 3063377 Maybridge4_001911 Cc1c(C)c(=O)n(Cc2ccc(Br)cc2)c(=O)n1Cc3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G20 compound treatment 0.423 -0.012 -0.38 0.399 0.00703 0.21 -0.1187 -0.276 3179491 Maybridge4_001912 O=C(Cn1nc2CSc3ccccc3-n2c1=O)NC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G21 compound treatment 0.398 -0.037 -1.16 0.377 -0.015 -0.44 -1.1355 -0.9127 3179492 Maybridge4_001913 CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G22 compound treatment 0.398 -0.037 -1.16 0.377 -0.015 -0.44 -1.1355 -0.9127 1150256 Maybridge4_001914 N(c1ccccc1)c2ncnc3sc(cc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G23 mock treatment 0.414 -0.021 -0.66 0.371 -0.021 -0.62 -0.9055 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 G24 mock treatment 0.429 -0.00597 -0.19 0.384 -0.00797 -0.24 -0.2996 -0.9935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H01 compound treatment 0.48 0.045 1.42 0.411 0.019 0.56 1.4 0.9185 3179493 Maybridge4_001915 COc1cc(cc(OC)c1OC)c2nnc(SCC(=O)c3ccco3)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H02 compound treatment 0.46 0.025 0.79 0.402 0.01 0.3 0.7668 0.9113 1202312 Maybridge4_001916 Clc1ccc(OC2CN(C2)C(=O)N3CC(C3)Oc4ccc(Cl)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H03 compound treatment 0.427 -0.00797 -0.25 0.366 -0.026 -0.77 -0.7212 -0.8912 3179494 Maybridge4_001917 O=C(CN1CCc2ccccc12)Nc3nnc(s3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H04 compound treatment 0.425 -0.00997 -0.31 0.376 -0.016 -0.47 -0.5562 -0.98 1178262 Maybridge4_001918 COc1ccc(cc1)c2nc3cc4Nc5ccccc5Oc4cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H05 compound treatment 0.413 -0.022 -0.69 0.388 -0.00397 -0.12 -0.5715 -0.8158 3063402 Maybridge4_001919 O=C(Nc1scc2c1c(=O)oc3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H06 compound treatment 0.405 -0.03 -0.94 0.385 -0.00697 -0.21 -0.8123 -0.8421 3179495 Maybridge4_001920 FC(F)(F)C(NC(=O)c1cccnc1)(N2CCCC2=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H07 compound treatment 0.403 -0.032 -1.01 0.381 -0.011 -0.33 -0.9405 -0.8904 1117011 Maybridge4_001921 COc1cccc(NC(=O)N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H08 compound treatment 0.406 -0.029 -0.91 0.39 -0.00197 -0.06 -0.6853 -0.7509 3063403 Maybridge4_001922 NC(=O)c1cc(Cl)c(Cl)cc1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H09 compound treatment 0.485 0.05 1.57 0.415 0.023 0.68 1.595 0.9301 3179496 Maybridge4_001923 O[C@H]1[C@@H](Oc2ccccc2C1=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H10 compound treatment 0.401 -0.034 -1.07 0.398 0.00603 0.18 -0.6288 -0.5807 3063404 Maybridge4_001924 COc1ncnc(OC)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H11 compound treatment 0.453 0.018 0.57 0.415 0.023 0.68 0.8835 0.9958 1558852 Maybridge4_001925 CC1=C(C(C2=C(N1)c3ccccc3C2=O)c4ccccc4)C(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H12 compound treatment 0.406 -0.029 -0.91 0.379 -0.013 -0.38 -0.9157 -0.9264 1698244 Maybridge4_001926 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H13 compound treatment 0.394 -0.041 -1.29 0.384 -0.00797 -0.24 -1.0778 -0.823 1372400 Maybridge4_001927 O=c1c(c[nH]c2ccccc12)c3nnnn3c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H14 compound treatment 0.408 -0.027 -0.85 0.399 0.00703 0.21 -0.4522 -0.5179 3179497 Maybridge4_001928 N1[C@H]([C@H](N=C1c2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H15 compound treatment 0.415 -0.02 -0.63 0.37 -0.022 -0.65 -0.9042 -0.9998 3063405 Maybridge4_001929 CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1OC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H16 compound treatment 0.414 -0.021 -0.66 0.384 -0.00797 -0.24 -0.6331 -0.9041 1081881 Maybridge4_001930 COC(=O)CSc1nc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H17 compound treatment 0.413 -0.022 -0.69 0.38 -0.012 -0.35 -0.7392 -0.952 3063406 Maybridge4_001931 CC(C)N(C(C)C)C(=O)NCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H18 compound treatment 0.43 -0.00497 -0.16 0.417 0.025 0.74 0.4141 0.5463 3179498 Maybridge4_001932 Clc1ccc(cc1)c2nc(SCc3ccccc3)[nH]c(=S)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H19 compound treatment 0.407 -0.028 -0.88 0.388 -0.00397 -0.12 -0.7049 -0.7946 3063407 Maybridge4_001933 OC(=O)c1cc(F)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H20 compound treatment 0.416 -0.019 -0.6 0.368 -0.024 -0.71 -0.9239 -0.9962 1198061 Maybridge4_001934 CC(Oc1ccc(Cl)cc1Cl)c2n[nH]c(=S)n2CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H21 compound treatment 0.426 -0.00897 -0.28 0.387 -0.00497 -0.15 -0.3034 -0.9541 3179499 Maybridge4_001935 FC(F)(F)C(NC1CCCCC1)(NC(=O)c2ccccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H22 compound treatment 0.431 -0.00397 -0.12 0.396 0.00403 0.12 -0.0037 -0.0214 1345621 Maybridge4_001936 O=c1[nH][nH]c(=O)n1CCCc2cc3cccc4ccc5cccc2c5c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H23 mock treatment 0.416 -0.019 -0.6 0.367 -0.025 -0.74 -0.9448 -0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 H24 mock treatment 0.477 0.042 1.32 0.405 0.013 0.39 1.2076 0.877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I01 compound treatment 0.495 0.06 1.89 0.455 0.063 1.87 2.6555 1.0 3179500 Maybridge4_001937 NC(=O)c1ccccc1NCC(=O)c2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I02 compound treatment 0.433 -0.00197 -0.06 0.375 -0.017 -0.5 -0.3992 -0.7881 1786031 Maybridge4_001938 S=c1[nH]nc(Cc2ccccc2)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I03 compound treatment 0.427 -0.00797 -0.25 0.378 -0.014 -0.41 -0.4698 -0.971 1416652 Maybridge4_001939 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I04 compound treatment 0.394 -0.041 -1.29 0.361 -0.031 -0.92 -1.5597 -0.9862 3179586 Maybridge4_001940 CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I05 compound treatment 0.393 -0.042 -1.32 0.379 -0.013 -0.38 -1.2048 -0.8766 3063409 Maybridge4_001941 Cn1cc(cn1)S(=O)(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I06 compound treatment 0.412 -0.023 -0.72 0.382 -0.00997 -0.3 -0.7195 -0.9222 3179587 Maybridge4_001942 Clc1ccccc1CC(C(=O)N2CCc3ccccc23)C(=O)N4CCc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I07 compound treatment 0.424 -0.011 -0.34 0.393 0.00103 0.03 -0.2222 -0.6419 3063410 Maybridge4_001943 CCOC(=O)c1cnn(C(=O)c2ccc(cc2)n3c(C)ccc3C)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I08 compound treatment 0.429 -0.00597 -0.19 0.399 0.00703 0.21 0.0147 0.0524 1500802 Maybridge4_001944 NC(=O)c1nnc2ccc(Cl)cc2c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I09 compound treatment 0.42 -0.015 -0.47 0.39 -0.00197 -0.06 -0.374 -0.7887 1103360 Maybridge4_001945 FC(F)(F)c1ccc(cc1)C(=O)CN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I10 compound treatment 0.413 -0.022 -0.69 0.366 -0.026 -0.77 -1.0325 -0.9985 3179588 Maybridge4_001946 O=C(CSc1nnc2NCCCn12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I11 compound treatment 0.415 -0.02 -0.63 0.391 -9.69E-4 -0.03 -0.4642 -0.7387 1721477 Maybridge4_001947 Cc1nn(c2NC3=C(C(c12)c4cccnc4)C(=O)CC(C)(C)C3)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I12 compound treatment 0.407 -0.028 -0.88 0.376 -0.016 -0.47 -0.9564 -0.9577 1444715 Maybridge4_001948 Cc1nc2cc(C)ccn2c1c3nnco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I13 compound treatment 0.422 -0.013 -0.41 0.394 0.00203 0.06 -0.2457 -0.5962 3063411 Maybridge4_001949 Cc1cc(C)c(C#N)c(Sc2ncnc3c2sc4nc(C)cc(C)c43)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I14 compound treatment 0.415 -0.02 -0.63 0.385 -0.00697 -0.21 -0.5899 -0.8926 3179589 Maybridge4_001950 COc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I15 compound treatment 0.404 -0.031 -0.97 0.378 -0.014 -0.41 -0.9812 -0.9274 3179590 Maybridge4_001951 CNC(=S)N1N=C2C(CCc3ccccc23)C1c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I16 compound treatment 0.434 -9.66E-4 -0.03 0.393 0.00103 0.03 1.0E-4 0.0033 3063412 Maybridge4_001952 CCOC(=O)N1CCc2c(C1)sc3[nH]c(=S)n(c4ccccc4)c(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I17 compound treatment 0.413 -0.022 -0.69 0.4 0.00803 0.24 -0.3201 -0.4382 3179591 Maybridge4_001953 COc1cc2CCn3c(C(=O)c4cccs4)c(c(C#N)c3-c2cc1OC)c5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I18 compound treatment 0.423 -0.012 -0.38 0.384 -0.00797 -0.24 -0.433 -0.9748 3063413 Maybridge4_001954 Fc1ccc(CN2C(=O)/C(=C\c3ccc(F)cc3)/N=C2c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I19 compound treatment 0.397 -0.038 -1.19 0.366 -0.026 -0.77 -1.3882 -0.9774 3179592 Maybridge4_001955 CCC(C)[C@H](NC(=O)c1ccco1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I20 compound treatment 0.449 0.014 0.44 0.411 0.019 0.56 0.7108 0.9926 3179593 Maybridge4_001956 COc1cccc(c1)C(=O)c2sc3nsc(SCc4ccccc4)c3c2N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I21 compound treatment 0.397 -0.038 -1.19 0.379 -0.013 -0.38 -1.1159 -0.8898 3063414 Maybridge4_001957 Cc1cc(C)c2c(N)c(sc2n1)c3nnc(SCC(=O)c4ccccc4)n3CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I22 compound treatment 0.402 -0.033 -1.04 0.381 -0.011 -0.33 -0.9628 -0.8863 3179594 Maybridge4_001958 C=CCn1nc2CSc3ccccc3-n2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I23 mock treatment 0.416 -0.019 -0.6 0.374 -0.018 -0.53 -0.7982 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 I24 mock treatment 0.444 0.00903 0.28 0.401 0.00903 0.27 0.3901 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J01 compound treatment 0.463 0.028 0.88 0.416 0.024 0.71 1.1268 0.9944 3179595 Maybridge4_001959 CCOC(=O)CSc1nc(CN2c3ccccc3Sc4ccccc24)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J02 compound treatment 0.371 -0.064 -2.01 0.332 -0.06 -1.78 -2.6787 -0.9981 1402836 Maybridge4_001960 NS(=O)(=O)c1ccc(Cl)cc1Sc2ccccc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J03 compound treatment 0.421 -0.014 -0.44 0.379 -0.013 -0.38 -0.5822 -0.9978 3179596 Maybridge4_001961 CCOC(=O)Cn1c(nc(c1c2ccccc2)c3ccccc3)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J04 compound treatment 0.401 -0.034 -1.07 0.373 -0.019 -0.56 -1.1526 -0.9551 1114912 Maybridge4_001962 NNC(=O)CNC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J05 compound treatment 0.39 -0.045 -1.41 0.373 -0.019 -0.56 -1.3972 -0.9183 3179597 Maybridge4_001963 Fc1ccc(COc2nc(cc(c3ccco3)c2C#N)c4cccs4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J06 compound treatment 0.383 -0.052 -1.63 0.367 -0.025 -0.74 -1.6786 -0.9358 3063348 Maybridge4_001964 FC(F)(F)C(NCc1ccccn1)(NC(=O)c2cccnc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J07 compound treatment 0.428 -0.00697 -0.22 0.412 0.02 0.59 0.2648 0.4186 3179598 Maybridge4_001965 COc1ccc(/N=C/c2cn(cc2\C=N\c3ccc(OC)cc3)c4ccc(OC)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J08 compound treatment 0.41 -0.025 -0.79 0.402 0.01 0.3 -0.3449 -0.4109 1550362 Maybridge4_001966 OC(=O)c1ccccc1NC(=O)OCC2c3ccccc3-c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J09 compound treatment 0.453 0.018 0.57 0.433 0.041 1.22 1.2607 0.9397 3179599 Maybridge4_001967 CC1(C)CC(=O)C=C(C1)Sc2nc3cc(Cl)ccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J10 compound treatment 0.401 -0.034 -1.07 0.382 -0.00997 -0.3 -0.9641 -0.87 1156147 Maybridge4_001968 COc1ccc2nc3n(C)c(=O)n(C)c(=O)c3cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J11 compound treatment 0.47 0.035 1.1 0.429 0.037 1.1 1.5549 1.0 3179600 Maybridge4_001969 O=C1C2=C(NC(=S)NC2c3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J12 compound treatment 0.417 -0.018 -0.56 0.381 -0.011 -0.33 -0.6293 -0.9655 1727811 Maybridge4_001970 COc1cc(CCC(C)NC(=O)c2ccco2)ccc1OC(=O)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J13 compound treatment 0.412 -0.023 -0.72 0.381 -0.011 -0.33 -0.7404 -0.935 3063350 Maybridge4_001971 COc1ccc(C#N)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J14 compound treatment 0.412 -0.023 -0.72 0.378 -0.014 -0.41 -0.8033 -0.9651 1014022 Maybridge4_001972 O=S(=O)(Cc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J15 compound treatment 0.407 -0.028 -0.88 0.384 -0.00797 -0.24 -0.7887 -0.8663 3179601 Maybridge4_001973 Nc1n/c(=N\c2ccccc2)/n(c3ccccc3)c(=N)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J16 compound treatment 0.433 -0.00197 -0.06 0.424 0.032 0.95 0.6274 0.6597 3063351 Maybridge4_001974 FC(F)(F)c1ccccc1/N=C/2\CCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J17 compound treatment 0.421 -0.014 -0.44 0.403 0.011 0.33 -0.0794 -0.145 3179602 Maybridge4_001975 COCOc1ccc(cc1OC)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J18 compound treatment 0.447 0.012 0.38 0.408 0.016 0.48 0.6035 0.9937 1465673 Maybridge4_001976 CC(Nc1ccccc1)(C#N)c2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J19 compound treatment 0.429 -0.00597 -0.19 0.394 0.00203 0.06 -0.0901 -0.4572 3179603 Maybridge4_001977 c1ccc(cc1)c2nnc(o2)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J20 compound treatment 0.424 -0.011 -0.34 0.384 -0.00797 -0.24 -0.4108 -0.983 1519121 Maybridge4_001978 CC(Oc1ccccc1c2ccccc2)c3n[nH]c(=S)n3c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J21 compound treatment 0.402 -0.033 -1.04 0.381 -0.011 -0.33 -0.9628 -0.8863 3063353 Maybridge4_001979 COC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J22 compound treatment 0.413 -0.022 -0.69 0.381 -0.011 -0.33 -0.7182 -0.9409 1009264 Maybridge4_001980 CC(NC(=O)C)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J23 mock treatment 0.401 -0.034 -1.07 0.38 -0.012 -0.35 -1.006 -0.8939 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 J24 mock treatment 0.454 0.019 0.6 0.402 0.01 0.3 0.6334 0.9478 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K01 compound treatment 0.481 0.046 1.45 0.4 0.00803 0.24 1.1918 0.8125 3179604 Maybridge4_001981 OC(=O)CSCC(=O)N1CCCN(CC1)c2ccc(cn2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K02 compound treatment 0.438 0.00303 0.1 0.381 -0.011 -0.33 -0.1624 -0.4793 3063380 Maybridge4_001982 CCOC(=O)c1nnn2c1nc(SCC(=O)N)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K03 compound treatment 0.414 -0.021 -0.66 0.382 -0.00997 -0.3 -0.675 -0.9344 3179605 Maybridge4_001983 COc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K04 compound treatment 0.408 -0.027 -0.85 0.374 -0.018 -0.53 -0.976 -0.9749 3063381 Maybridge4_001984 CNC(=O)NC(=O)CSc1nnc(c2ccncc2)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K05 compound treatment 0.405 -0.03 -0.94 0.373 -0.019 -0.56 -1.0637 -0.9695 3179606 Maybridge4_001985 S=C(NCC1CC(=NO1)c2ccccc2)NCc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K06 compound treatment 0.432 -0.00297 -0.09 0.393 0.00103 0.03 -0.0443 -0.4517 3179607 Maybridge4_001986 CCOc1nc-2c(Cc3ccccc32)c(c4ccco4)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K07 compound treatment 0.408 -0.027 -0.85 0.376 -0.016 -0.47 -0.9341 -0.962 3063383 Maybridge4_001987 Sc1nnc(Cc2ccsc2)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K08 compound treatment 0.424 -0.011 -0.34 0.393 0.00103 0.03 -0.2222 -0.6419 3179608 Maybridge4_001988 O=c1[nH]c-2c(CCc3ccccc32)c(c1C#N)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K09 compound treatment 0.443 0.00803 0.25 0.407 0.015 0.45 0.4936 0.9639 3063384 Maybridge4_001989 C=CCSc1c2CCCc2c(C#N)c3nc4ccccc4n13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K10 compound treatment 0.415 -0.02 -0.63 0.37 -0.022 -0.65 -0.9042 -0.9998 3179609 Maybridge4_001990 O=C(N1CCCn2c(SCc3ccccc3)nnc12)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K11 compound treatment 0.418 -0.017 -0.53 0.389 -0.00297 -0.09 -0.4394 -0.8127 3063386 Maybridge4_001991 CCNC(=S)Nc1sc2CC(C)CCc2c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K12 compound treatment 0.431 -0.00397 -0.12 0.397 0.00503 0.15 0.0172 0.0888 3179610 Maybridge4_001992 Cc1sc2nc3SCC(=Nn3c(=O)c2c1C)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K13 compound treatment 0.446 0.011 0.35 0.401 0.00903 0.27 0.4346 0.9918 3063387 Maybridge4_001993 CCOC(=O)c1oc2nc(cc(c3ccco3)c2c1N)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K14 compound treatment 0.443 0.00803 0.25 0.387 -0.00497 -0.15 0.0745 0.2549 3179611 Maybridge4_001994 C1Sc2ccccc2-n3c(nnc13)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K15 compound treatment 0.424 -0.011 -0.34 0.392 3.13E-5 0.0 -0.2432 -0.7052 3179694 Maybridge4_001995 CCOC(=O)c1nnn2c1n(C)c(=O)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K16 compound treatment 0.424 -0.011 -0.34 0.38 -0.012 -0.35 -0.4946 -0.9999 3063389 Maybridge4_001996 O=c1c(nnc2sc3ccccc3n12)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K17 compound treatment 0.424 -0.011 -0.34 0.382 -0.00997 -0.3 -0.4527 -0.997 3179695 Maybridge4_001997 CCOC(=O)C1=NN(C2C1c3cccc4cccc2c34)c5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K18 compound treatment 0.421 -0.014 -0.44 0.383 -0.00897 -0.27 -0.4984 -0.9711 3063390 Maybridge4_001998 Clc1ccccc1/C=C\2/N=C(N(CC=C)C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K19 compound treatment 0.407 -0.028 -0.88 0.38 -0.012 -0.35 -0.8726 -0.9203 3179696 Maybridge4_001999 O=C(NCC1COc2ccccc2O1)Nc3csc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K20 compound treatment 0.417 -0.018 -0.56 0.383 -0.00897 -0.27 -0.5874 -0.9408 3179697 Maybridge4_002000 CNC(=O)NC(=O)CSc1ncnc2sc(cc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K21 compound treatment 0.397 -0.038 -1.19 0.378 -0.014 -0.41 -1.1368 -0.8997 3063391 Maybridge4_002001 Cc1cc(C)c2c(N)c(sc2n1)c3nnc(SCc4ccc(Cl)cc4)n3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K22 compound treatment 0.41 -0.025 -0.79 0.369 -0.023 -0.68 -1.0363 -0.9975 3179698 Maybridge4_002002 S=c1[nH]nc(CSc2nc(cn2c3ccccc3)c4ccccc4)n1c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K23 mock treatment 0.425 -0.00997 -0.31 0.388 -0.00397 -0.12 -0.3047 -0.9105 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 K24 mock treatment 0.435 3.45E-5 0.0 0.402 0.01 0.3 0.2109 0.7097 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L01 compound treatment 0.473 0.038 1.2 0.416 0.024 0.71 1.3492 0.9693 3063422 Maybridge4_002003 CCOC(=O)CSc1nc(SCC(=O)OCC)c2c3CCCc3sc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L02 compound treatment 0.426 -0.00897 -0.28 0.391 -9.69E-4 -0.03 -0.2196 -0.7751 1536081 Maybridge4_002004 OC(=O)c1ccccc1Sc2ccccc2S(=O)(=O)NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L03 compound treatment 1.242 0.807 25.38 0.388 -0.00397 -0.12 17.8604 0.7038 3179699 Maybridge4_002005 C=CCn1c(nc(c1c2ccccc2)c3ccccc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L04 compound treatment 0.419 -0.016 -0.5 0.375 -0.017 -0.5 -0.7105 -1.0 1430538 Maybridge4_002006 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L05 compound treatment 0.433 -0.00197 -0.06 0.405 0.013 0.39 0.2293 0.5865 3179700 Maybridge4_002007 N=c1n(Nc2ccccc2)cnc3sc4CCCc4c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L06 compound treatment 0.405 -0.03 -0.94 0.383 -0.00897 -0.27 -0.8542 -0.8725 3063426 Maybridge4_002008 Cc1ccc(cc1)C(=O)NC(NCc2ccco2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L07 compound treatment 0.411 -0.024 -0.75 0.375 -0.017 -0.5 -0.8884 -0.9807 3179701 Maybridge4_002009 Brc1ccc(s1)c2ccc(Br)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L08 compound treatment 0.422 -0.013 -0.41 0.382 -0.00997 -0.3 -0.4971 -0.9875 1371799 Maybridge4_002010 CCOC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L09 compound treatment 0.434 -9.66E-4 -0.03 0.396 0.00403 0.12 0.063 0.5111 1134767 Maybridge4_002011 C1C(=Cc2ccccc12)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L10 compound treatment 0.418 -0.017 -0.53 0.367 -0.025 -0.74 -0.9004 -0.9871 1364288 Maybridge4_002012 O=C(NC1CCN(CC1)C(=O)C2CCC2)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L11 compound treatment 0.425 -0.00997 -0.31 0.378 -0.014 -0.41 -0.5143 -0.9906 1570440 Maybridge4_002013 Oc1cc(Cc2ccccc2)cnc1CN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L12 compound treatment 0.455 0.02 0.63 0.407 0.015 0.45 0.7604 0.9856 1227426 Maybridge4_002014 CC(C)C1CCC(C)CC1N(Cc2ccccc2)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L13 compound treatment 0.423 -0.012 -0.38 0.377 -0.015 -0.44 -0.5797 -0.9966 1583701 Maybridge4_002015 N[C@@H](CO)CSCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L14 compound treatment 0.424 -0.011 -0.34 0.376 -0.016 -0.47 -0.5784 -0.9879 1368346 Maybridge4_002016 COc1cc(CCc2cc(OC)c(C)cc2OC)c(OC)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L15 compound treatment 0.425 -0.00997 -0.31 0.376 -0.016 -0.47 -0.5562 -0.98 3063428 Maybridge4_002017 FC(F)(F)C(NC(=O)c1ccccc1)(Nc2ccccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L16 compound treatment 0.439 0.00403 0.13 0.392 3.13E-5 0.0 0.0904 0.7122 1023708 Maybridge4_002018 COc1ccc(cc1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L17 compound treatment 0.44 0.00503 0.16 0.406 0.014 0.42 0.4059 0.9124 1344186 Maybridge4_002019 CC(=O)N1C(C(=O)NC1=S)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L18 compound treatment 0.419 -0.016 -0.5 0.385 -0.00697 -0.21 -0.501 -0.9229 3179703 Maybridge4_002020 CC(C)C(C)(Nc1ccccc1)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L19 compound treatment 0.427 -0.00797 -0.25 0.385 -0.00697 -0.21 -0.3231 -0.9954 1047316 Maybridge4_002021 OC(=O)c1ccc(s1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L20 compound treatment 0.407 -0.028 -0.88 0.385 -0.00697 -0.21 -0.7678 -0.85 3179704 Maybridge4_002022 Brc1ccccc1C(=O)c2ccc-3c(c2)C(=O)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L21 compound treatment 0.408 -0.027 -0.85 0.361 -0.031 -0.92 -1.2484 -0.9992 3063451 Maybridge4_002023 FC(F)(F)C(NC(=O)c1ccccc1)(OCc2ccccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L22 compound treatment 0.424 -0.011 -0.34 0.372 -0.02 -0.59 -0.6622 -0.967 3179705 Maybridge4_002024 CCOC(=O)CSc1nncc(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L23 mock treatment 0.431 -0.00397 -0.12 0.372 -0.02 -0.59 -0.5066 -0.8377 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 L24 mock treatment 0.472 0.037 1.16 0.399 0.00703 0.21 0.9707 0.8206 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M01 compound treatment 0.472 0.037 1.16 0.408 0.016 0.48 1.1593 0.9218 3063453 Maybridge4_002025 Cc1ccc(CNC(=O)Nc2ccccc2)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M02 compound treatment 0.458 0.023 0.72 0.403 0.011 0.33 0.7433 0.9354 3179706 Maybridge4_002026 CCOC(=O)c1nnn2c1nc(SCc3ccc(F)cc3)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M03 compound treatment 0.424 -0.011 -0.34 0.387 -0.00497 -0.15 -0.3479 -0.928 3179707 Maybridge4_002027 O=C(Nc1ccc(OCc2ccccc2)cc1)OCC3CN(Cc4ccccc4)CCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M04 compound treatment 0.443 0.00803 0.25 0.439 0.047 1.39 1.1641 0.8219 3063456 Maybridge4_002028 O=C(CC(C(=O)N1CCc2ccccc12)C(=O)N3CCc4ccccc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M05 compound treatment 0.424 -0.011 -0.34 1.195 0.803 23.8 16.5819 0.6968 3179708 Maybridge4_002029 O=C(OCC1CC(=NO1)c2ccccc2)c3cccc(n3)C(=O)OCC4CC(=NO4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M06 compound treatment 0.422 -0.013 -0.41 0.38 -0.012 -0.35 -0.5391 -0.9976 3063457 Maybridge4_002030 CC1=Nn2c(Cn3nnc4ccccc34)nnc2SC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M07 compound treatment 0.44 0.00503 0.16 0.369 -0.023 -0.68 -0.3693 -0.5285 3179709 Maybridge4_002031 C/C(=N\O)/C(C)(C)Nc1ccc(cc1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M08 compound treatment 0.443 0.00803 0.25 0.397 0.00503 0.15 0.2841 0.9683 3063458 Maybridge4_002032 O=C(Oc1cc(=O)oc2c3cccc4CCn(c(=O)c12)c43)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M09 compound treatment 0.441 0.00603 0.19 0.397 0.00503 0.15 0.2396 0.9929 2096080 Maybridge4_002033 CCOC(=O)c1sc2n(c3ccccc3)c(=S)n(c4ccccc4)c(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M10 compound treatment 0.447 0.012 0.38 0.403 0.011 0.33 0.4987 0.9973 3179710 Maybridge4_002034 CCOC(=O)N1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc34)sc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M11 compound treatment 0.44 0.00503 0.16 0.383 -0.00897 -0.27 -0.076 -0.2456 3063459 Maybridge4_002035 O=C(COc1nc(cc(c2cccs2)c1C#N)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M12 compound treatment 0.441 0.00603 0.19 0.385 -0.00697 -0.21 -0.0118 -0.0422 3063460 Maybridge4_002036 O=c1n(CN2CCOCC2)nc3sc4ccccc4n3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M13 compound treatment 0.45 0.015 0.47 0.399 0.00703 0.21 0.4816 0.9322 3179711 Maybridge4_002037 Nc1c(oc2nc(cc(c3cccs3)c12)c4ccco4)C(=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M14 compound treatment 0.482 0.047 1.48 0.426 0.034 1.01 1.7588 0.9826 3063486 Maybridge4_002038 Cc1nc2n(ncc2c(=O)n1NC(=O)Nc3ccc(Cl)c(Cl)c3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M15 compound treatment 0.474 0.039 1.23 0.416 0.024 0.71 1.3714 0.9665 3179712 Maybridge4_002039 CCOC(=O)c1nnn2c1n(CC=C)c(=O)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M16 compound treatment 0.556 0.121 3.81 0.495 0.103 3.05 4.8499 0.994 3063487 Maybridge4_002040 COC(=O)C1=C(C)N=C2SC(=C(N)N2C1c3cccs3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M17 compound treatment 0.462 0.027 0.85 0.41 0.018 0.53 0.9789 0.975 3179713 Maybridge4_002041 O=C/1NN=C(\C1=C\2/OC(=CS2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M18 compound treatment 0.424 -0.011 -0.34 0.398 0.00603 0.18 -0.1174 -0.3024 3179714 Maybridge4_002042 Clc1ccc(CN2C(=O)/C(=C\c3cccs3)/N=C2c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M19 compound treatment 0.429 -0.00597 -0.19 0.396 0.00403 0.12 -0.0482 -0.2166 3063489 Maybridge4_002043 COc1ccc(cc1)n2ncc(NC(=O)N3CCOCC3)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M20 compound treatment 0.423 -0.012 -0.38 0.387 -0.00497 -0.15 -0.3701 -0.9162 3179715 Maybridge4_002044 O=c1c(nc(nn1CN2CCOCC2)c3ccccc3)C(CN4CCOCC4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M21 compound treatment 0.442 0.00703 0.22 0.406 0.014 0.42 0.4504 0.9564 3063490 Maybridge4_002045 Clc1ccccc1C2C3CCc4ccccc4C3=NN2C(=O)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M22 compound treatment 0.416 -0.019 -0.6 0.387 -0.00497 -0.15 -0.5258 -0.856 3179716 Maybridge4_002046 CCOC(=O)c1cnc(nc1N)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M23 mock treatment 0.436 0.00103 0.03 0.401 0.00903 0.27 0.2122 0.7873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 M24 mock treatment 0.444 0.00903 0.28 0.402 0.01 0.3 0.4111 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N01 compound treatment 0.468 0.033 1.04 0.419 0.027 0.8 1.3009 0.9918 3063492 Maybridge4_002047 O=C1CSc2nnc(c3ccccc3)n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N02 compound treatment 0.43 -0.00497 -0.16 0.399 0.00703 0.21 0.0369 0.1418 1229835 Maybridge4_002048 OC(=O)c1ccccc1Sc2ccccc2S(=O)(=O)NC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N03 compound treatment 0.458 0.023 0.72 0.422 0.03 0.89 1.1414 0.9948 1256899 Maybridge4_002049 c1csc(c1)c2nc(c([nH]2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N04 compound treatment 0.429 -0.00597 -0.19 0.388 -0.00397 -0.12 -0.2158 -0.9747 3178130 Maybridge4_002050 CCCc1cc(O)nc(SC/C=C/c2ccccc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N05 compound treatment 0.445 0.01 0.32 0.409 0.017 0.5 0.58 0.9744 3178131 Maybridge4_002051 CCNc1nc(SCC(=O)NC(=O)NCc2ccccc2)nc3sc4CN(C)CCc4c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N06 compound treatment 0.427 -0.00797 -0.25 0.389 -0.00297 -0.09 -0.2393 -0.9015 3063494 Maybridge4_002052 CC1CN=C(S1)N(C2CCCCC2)C(=O)Nc3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N07 compound treatment 0.417 -0.018 -0.56 0.371 -0.021 -0.62 -0.8388 -0.9989 3178132 Maybridge4_002053 Cc1ccc(OC(=O)OCSc2nnn[nH]2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N08 compound treatment 0.419 -0.016 -0.5 0.377 -0.015 -0.44 -0.6686 -0.9981 1423044 Maybridge4_002054 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N09 compound treatment 0.443 0.00803 0.25 0.387 -0.00497 -0.15 0.0745 0.2549 1177114 Maybridge4_002055 Brc1ccc(cc1)N2C(=O)C3=C(C2=O)C(=NCCN3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N10 compound treatment 0.437 0.00203 0.06 0.378 -0.014 -0.41 -0.2474 -0.5908 1659522 Maybridge4_002056 Clc1cccc(Cl)c1C(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N11 compound treatment 0.435 3.45E-5 0.0 0.379 -0.013 -0.38 -0.271 -0.7051 1381385 Maybridge4_002057 CN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N12 compound treatment 0.462 0.027 0.85 0.394 0.00203 0.06 0.6436 0.7553 1409714 Maybridge4_002058 COc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N13 compound treatment 0.475 0.04 1.26 0.376 -0.016 -0.47 0.5555 0.4131 1704266 Maybridge4_002059 CC(C)(C)C(=O)Nc1ccccc1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N14 compound treatment 0.382 -0.053 -1.67 0.328 -0.064 -1.9 -2.5179 -0.9979 3178133 Maybridge4_002060 NNC(=O)c1cc(S)ncn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N15 compound treatment 0.431 -0.00397 -0.12 0.386 -0.00597 -0.18 -0.2132 -0.9854 3063524 Maybridge4_002061 CC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N16 compound treatment 0.473 0.038 1.2 0.406 0.014 0.42 1.1396 0.9001 3178134 Maybridge4_002062 C/C(=N\c1ccccc1C(F)(F)F)/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N17 compound treatment 0.437 0.00203 0.06 0.381 -0.011 -0.33 -0.1846 -0.5572 1020871 Maybridge4_002063 O=C1NC(C(=O)N1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N18 compound treatment 0.465 0.03 0.94 0.409 0.017 0.5 1.0246 0.9569 1667495 Maybridge4_002064 Clc1ccc2[nH]c(=O)c3nc(oc3c2c1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N19 compound treatment 0.422 -0.013 -0.41 0.377 -0.015 -0.44 -0.6019 -0.9991 1670169 Maybridge4_002065 CC(C)c1ccc(cc1)S(=O)(=O)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N20 compound treatment 0.421 -0.014 -0.44 0.385 -0.00697 -0.21 -0.4565 -0.9408 1596128 Maybridge4_002066 CCOC(=O)C1CCN(C1=O)S(=O)(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N21 compound treatment 0.422 -0.013 -0.41 0.369 -0.023 -0.68 -0.7695 -0.97 1008385 Maybridge4_002067 O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N22 compound treatment 0.422 -0.013 -0.41 0.37 -0.022 -0.65 -0.7486 -0.9746 1546853 Maybridge4_002068 Cn1c(=O)n(C)c2ncn(CC(O)CN(CC=C)CC=C)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N23 mock treatment 0.448 0.013 0.41 0.396 0.00403 0.12 0.3743 0.8767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 N24 mock treatment 0.485 0.05 1.57 0.414 0.022 0.65 1.5741 0.9241 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O01 compound treatment 0.54 0.105 3.3 0.492 0.1 2.96 4.4313 0.9985 3063527 Maybridge4_002069 O=C(Nc1sccc1c2nc3ccccc3s2)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O02 compound treatment 0.471 0.036 1.13 0.399 0.00703 0.21 0.9485 0.8233 3178135 Maybridge4_002070 CCOC(=O)CSc1nnc(Cn2nnc3ccccc23)n1c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O03 compound treatment 0.441 0.00603 0.19 0.389 -0.00297 -0.09 0.072 0.3441 3063528 Maybridge4_002071 Cc1ccc(cc1)S(=O)(=O)NC(=O)OCC2CN(Cc3ccccc3)CCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O04 compound treatment 0.447 0.012 0.38 0.397 0.00503 0.15 0.373 0.9171 3178136 Maybridge4_002072 Cn1nc2c3ccccc3n(CC=C)c2nc1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O05 compound treatment 0.496 0.061 1.92 0.437 0.045 1.33 2.3006 0.9842 3178137 Maybridge4_002073 Clc1ccc(cc1)n2ncc(n2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O06 compound treatment 0.476 0.041 1.29 0.411 0.019 0.56 1.3111 0.9311 3178138 Maybridge4_002074 Brc1ccc(cc1)C2=Nn3c(Cn4nnc5ccccc45)nnc3SC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O07 compound treatment 0.472 0.037 1.16 0.411 0.019 0.56 1.2222 0.9446 1760428 Maybridge4_002075 O=C(Nc1ccc2OCCOc2c1)c3ccc4nccnc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O08 compound treatment 0.473 0.038 1.2 0.409 0.017 0.5 1.2025 0.9264 3178139 Maybridge4_002076 CNC(=O)NC(=O)CSc1nnc(o1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O09 compound treatment 0.482 0.047 1.48 0.414 0.022 0.65 1.5074 0.9324 3178140 Maybridge4_002077 CCOC(=O)COc1c(C#N)sc2n(c3ccccc3)c(=S)n(c4ccccc4)c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O10 compound treatment 0.512 0.077 2.42 0.445 0.053 1.57 2.8239 0.978 3063548 Maybridge4_002078 S=c1[nH]c(=S)c2cnc(nc2[nH]1)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O11 compound treatment 0.495 0.06 1.89 0.416 0.024 0.71 1.8383 0.9112 1200067 Maybridge4_002079 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O12 compound treatment 0.482 0.047 1.48 0.407 0.015 0.45 1.3607 0.881 2102976 Maybridge4_002080 COc1ccc(cc1)C2=Nn3c(SC2)nc4sc5CCCCc5c4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O13 compound treatment 0.495 0.06 1.89 0.435 0.043 1.28 2.2364 0.9818 3063550 Maybridge4_002081 Cc1cc(C)c(C#N)c(Sc2ncnc3n(Cc4ccccc4)nnc23)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O14 compound treatment 0.496 0.061 1.92 0.4 0.00803 0.24 1.5253 0.7887 3178141 Maybridge4_002082 O=c1n(/N=C/c2cccs2)cnc3sc(cc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O15 compound treatment 0.505 0.07 2.2 0.422 0.03 0.89 2.1864 0.9205 3178142 Maybridge4_002083 CCOC(=O)c1nnn2c1n(Cc3ccc(Cl)cc3)c(=O)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O16 compound treatment 0.502 0.067 2.11 0.418 0.026 0.77 2.0359 0.907 3063551 Maybridge4_002084 COc1cc(/C=N/n2c(C)nc3n(cnc3c2=O)c4ccccc4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O17 compound treatment 1.319 0.884 27.8 0.405 0.013 0.39 19.9286 0.7169 3178143 Maybridge4_002085 O=c1nc2n(nc(c3ccccc3)n2c(c1C#N)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O18 compound treatment 0.502 0.067 2.11 0.422 0.03 0.89 2.1197 0.9265 3063552 Maybridge4_002086 C1Cc2ccccc2N1c3ncnc4sc(cc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O19 compound treatment 0.481 0.046 1.45 0.409 0.017 0.5 1.3804 0.9005 3178144 Maybridge4_002087 COc1ccc(cc1)n2ncc(NC(=O)Nc3ccc4OCCCOc4c3)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O20 compound treatment 0.475 0.04 1.26 0.396 0.00403 0.12 0.9746 0.7707 3063553 Maybridge4_002088 Nc1ncnc2nc(ncc12)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O21 compound treatment 0.508 0.073 2.3 0.426 0.034 1.01 2.3369 0.9317 3178145 Maybridge4_002089 CC(=O)N1N=C2C(CCc3ccccc23)C1c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O22 compound treatment 0.462 0.027 0.85 0.394 0.00203 0.06 0.6436 0.7553 3063554 Maybridge4_002090 Cc1cc(=O)n2ncnc2n1CC(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O23 mock treatment 0.474 0.039 1.23 0.413 0.021 0.62 1.3086 0.9506 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 O24 mock treatment 0.497 0.062 1.95 0.412 0.02 0.59 1.799 0.8823 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P01 compound treatment 0.506 0.071 2.23 0.427 0.035 1.04 2.3134 0.9393 1504248 Maybridge4_002091 C1Cc2ccccc2N1c3ncnc4n(ncc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P02 compound treatment 0.453 0.018 0.57 0.381 -0.011 -0.33 0.1712 0.2619 1485949 Maybridge4_002092 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c3ccc(cc3)C(C)(C)C)c4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P03 compound treatment 0.47 0.035 1.1 0.413 0.021 0.62 1.2196 0.9636 3063615 Maybridge4_002093 O=C/1NNC(=N\C1=C/c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P04 compound treatment 0.492 0.057 1.79 0.409 0.017 0.5 1.6249 0.8722 3178146 Maybridge4_002094 Cn1cnnc1Sc2cc(C#N)c(C#N)cc2Sc3nncn3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P05 compound treatment 0.513 0.078 2.45 0.473 0.081 2.4 3.4328 0.9999 3063618 Maybridge4_002095 CCNc1nc(SCc2ccc(Cl)cc2)nc3sc4CN(C)CCc4c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P06 compound treatment 0.497 0.062 1.95 0.4 0.00803 0.24 1.5475 0.7875 3178147 Maybridge4_002096 Cn1cnc(c1C#N)n2oo2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P07 compound treatment 0.496 0.061 1.92 0.396 0.00403 0.12 1.4415 0.7497 1405262 Maybridge4_002097 O=C(NCc1ccccc1)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P08 compound treatment 0.518 0.083 2.61 0.429 0.037 1.1 2.6221 0.9258 1585718 Maybridge4_002098 CCOC(=O)C(C)Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P09 compound treatment 0.523 0.088 2.77 0.422 0.03 0.89 2.5866 0.8896 3178148 Maybridge4_002099 COC(=O)/C(=C/C(=O)c1c(F)c(F)c(OC)c(F)c1F)/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P10 compound treatment 0.504 0.069 2.17 0.426 0.034 1.01 2.248 0.9392 1497616 Maybridge4_002100 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)C3CCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P11 compound treatment 0.498 0.063 1.98 0.392 3.13E-5 0.0 1.4022 0.7074 3178149 Maybridge4_002101 O=c1ccc2CCCCc2n1CCC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P12 compound treatment 0.393 -0.042 -1.32 0.342 -0.05 -1.48 -1.98 -0.9983 1054556 Maybridge4_002102 Cc1ccc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P13 compound treatment 0.519 0.084 2.64 0.409 0.017 0.5 2.2253 0.8272 1043550 Maybridge4_002103 OC1CCN(Cc2ccccc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P14 compound treatment 0.524 0.089 2.8 0.421 0.029 0.86 2.5879 0.8836 1240290 Maybridge4_002104 CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P15 compound treatment 0.522 0.087 2.74 0.413 0.021 0.62 2.3758 0.8465 3063648 Maybridge4_002105 CC(=O)NC(NCc1ccccc1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P16 compound treatment 0.51 0.075 2.36 0.409 0.017 0.5 2.0252 0.8394 3178234 Maybridge4_002106 CC(C)[C@H]1COC(=N1)c2cccc(n2)C3=N[C@H](CO3)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P17 compound treatment 0.515 0.08 2.52 0.426 0.034 1.01 2.4925 0.9194 3063650 Maybridge4_002107 CC(O)/C=C/c1cccc[n+]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P18 compound treatment 0.509 0.074 2.33 0.417 0.025 0.74 2.1705 0.8884 3178235 Maybridge4_002108 CCOC(=O)C1=C(C)N(C(=O)Oc2ccccc2)C(=NC1c3ccccc3)SC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P19 compound treatment 0.502 0.067 2.11 0.411 0.019 0.56 1.8892 0.8658 3063651 Maybridge4_002109 CN1C(=O)/C(=C\Nc2ccc(Cl)cc2)/C(=O)c3c1n(C)c(=O)n(C)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P20 compound treatment 0.532 0.097 3.05 0.444 0.052 1.54 3.2476 0.95 1466385 Maybridge4_002110 COC(=O)C1=C(C)NC(=C(C1C)C(=O)OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P21 compound treatment 0.446 0.011 0.35 0.449 0.057 1.69 1.4403 0.8349 1646281 Maybridge4_002111 COc1cccc(c1)c2ncc(o2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P22 compound treatment 0.496 0.061 1.92 0.408 0.016 0.48 1.6929 0.8563 1592521 Maybridge4_002112 O=C(Nc1ccccc1)N(Cc2ccccc2)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P23 mock treatment 0.507 0.072 2.27 0.405 0.013 0.39 1.8746 0.8159 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2054 P24 mock treatment 0.524 0.089 2.8 0.441 0.049 1.45 3.0069 0.9533 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A01 compound treatment 0.428 0.0409 1.29 0.429 0.0401 1.19 1.7496 0.9992 3178236 Maybridge4_002113 CCOC(=O)c1c(C)n[nH]c1/N=C/c2ccc(OC)c(OC)c2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A02 compound treatment 0.411 0.0239 0.75 0.418 0.0291 0.86 1.1411 0.9977 3178237 Maybridge4_002114 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A03 compound treatment 0.389 0.00191 0.06 0.387 -0.00191 -0.06 0.0024 0.0297 1739670 Maybridge4_002115 O=C(C(C(=O)N1CCCCC1)C2(CC3CC4CC(C3)C2)C4)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A04 compound treatment 0.392 0.00491 0.15 0.384 -0.00491 -0.15 0.0063 0.0297 3178238 Maybridge4_002116 CSc1c(C#N)c(nn1C)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A05 compound treatment 0.389 0.00191 0.06 0.387 -0.00191 -0.06 0.0024 0.0297 3063681 Maybridge4_002117 CN(C)c1nc(O)nc(n1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A06 compound treatment 0.373 -0.0141 -0.44 0.393 0.00409 0.12 -0.2276 -0.4953 3178239 Maybridge4_002118 CN1c2ccccc2C(=O)/C(=C\Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)/S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A07 compound treatment 0.386 -0.00109 -0.03 0.401 0.0121 0.36 0.2291 0.6363 1532269 Maybridge4_002119 COc1cc2CCN=C(c3ccccc3NC(=O)c4cccc(Cl)c4)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A08 compound treatment 0.392 0.00491 0.15 0.408 0.0191 0.57 0.5092 0.8682 1424615 Maybridge4_002120 CCCS(=O)(=O)C1=C(N)OC(=C(C#N)C1c2ccc(Cl)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A09 compound treatment 0.41 0.0229 0.72 0.407 0.0181 0.54 0.8884 0.9894 1227957 Maybridge4_002121 Cc1cc(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)n(C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A10 compound treatment 0.43 0.0429 1.35 0.44 0.0511 1.51 2.0245 0.9983 3063685 Maybridge4_002122 CS/C(=C(/C#N)\C(=O)c1ccc(Cl)cc1)/NCC2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A11 compound treatment 0.4 0.0129 0.41 0.396 0.00709 0.21 0.4356 0.9531 1505422 Maybridge4_002123 O=C(Nc1cc(nn1c2ccccc2)C3CC3)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A12 compound treatment 0.395 0.00791 0.25 0.398 0.00909 0.27 0.3663 0.9992 3063686 Maybridge4_002124 CC(C)S(=O)(=O)/C(=C/Nc1ncccn1)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A13 compound treatment 0.417 0.0299 0.94 0.414 0.0251 0.74 1.1907 0.9932 1730851 Maybridge4_002125 Cc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A14 compound treatment 0.38 -0.00709 -0.22 0.399 0.0101 0.3 0.0538 0.1441 3063688 Maybridge4_002126 Cn1ccnc1S(=O)(=O)/C(=C/c2ccc3OCOc3c2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A15 compound treatment 0.414 0.0269 0.85 0.408 0.0191 0.57 0.9983 0.9809 1337308 Maybridge4_002127 CCOC(=O)c1cnc2n(C)nc(C3CC3)c2c1N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A16 compound treatment 0.385 -0.00209 -0.07 0.395 0.00609 0.18 0.0811 0.4221 3063690 Maybridge4_002128 Cc1cc(nc2c(Br)c(nn12)C(C)(C)C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A17 compound treatment 0.387 -9.38E-5 0.0 0.397 0.00809 0.24 0.1675 0.6984 1574781 Maybridge4_002129 COc1c(Cl)scc1NC(=O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A18 compound treatment 0.425 0.0379 1.19 0.431 0.0421 1.25 1.7248 0.9997 3063692 Maybridge4_002130 CSC(=C(C#N)C(=O)c1cccc(c1)C(F)(F)F)SC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A19 compound treatment 0.406 0.0189 0.59 0.407 0.0181 0.54 0.7995 0.9987 3178240 Maybridge4_002131 Clc1ccccc1C(=O)C(=C2SCCCS2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A20 compound treatment 0.37 -0.0171 -0.54 0.378 -0.0109 -0.32 -0.6086 -0.9704 1150123 Maybridge4_002132 CC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A21 compound treatment 0.383 -0.00409 -0.13 0.369 -0.0199 -0.59 -0.5081 -0.8416 3063728 Maybridge4_002133 COc1cccc(c1)c2nc(N)nc(SC)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A22 compound treatment 0.361 -0.0261 -0.82 0.367 -0.0219 -0.65 -1.0392 -0.9933 3178241 Maybridge4_002134 Fc1ccc(N/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A23 mock treatment 0.386 -0.00109 -0.03 0.407 0.0181 0.54 0.3548 0.6604 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 A24 mock treatment 0.353 -0.0341 -1.07 0.391 0.00209 0.06 -0.7142 -0.6651 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B01 compound treatment 0.416 0.0289 0.91 0.409 0.0201 0.6 1.0637 0.979 3178242 Maybridge4_002135 FC(F)(F)c1cc(CN/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B02 compound treatment 0.388 9.06E-4 0.03 0.393 0.00409 0.12 0.1059 0.8501 3063731 Maybridge4_002136 COC(=O)c1ccc2C(=O)/C(=C/Nc3ccc(Cl)cc3)/S(=O)(=O)N(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B03 compound treatment 0.418 0.0309 0.97 0.408 0.0191 0.57 1.0872 0.9669 3178243 Maybridge4_002137 CSc1sc(/C(=N\O)/C)c2CC(C)(C)C/C(=N/O)/c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B04 compound treatment 0.406 0.0189 0.59 0.404 0.0151 0.45 0.7366 0.9902 3063732 Maybridge4_002138 COC(=O)c1sc(SC)c(c1C)c2ccon2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B05 compound treatment 0.425 0.0379 1.19 0.516 0.127 3.77 3.5058 0.8875 3178244 Maybridge4_002139 Clc1ccc(Sc2ccccc2CN/C(=C(\N=C\c3cccs3)/C#N)/C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B06 compound treatment 0.376 -0.0111 -0.35 0.408 0.0191 0.57 0.1534 0.2308 3063733 Maybridge4_002140 CN(C)/C=C/C(=O)c1ccc2OC(C)(C)CCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B07 compound treatment 0.371 -0.0161 -0.51 0.38 -0.00891 -0.26 -0.5444 -0.9539 1330787 Maybridge4_002141 Clc1ccc(cc1)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B08 compound treatment 0.389 0.00191 0.06 0.402 0.0131 0.39 0.3167 0.8068 3063734 Maybridge4_002142 Clc1ccc(cc1)S(=O)(=O)C(=C2SCCCCS2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B09 compound treatment 0.378 -0.00909 -0.29 0.399 0.0101 0.3 0.0093 0.0225 1191188 Maybridge4_002143 CSc1scc2CCc3cn(nc3-c12)C(=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B10 compound treatment 0.317 -0.0701 -2.2 0.329 -0.0599 -1.78 -2.8137 -0.9942 1483249 Maybridge4_002144 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B11 compound treatment 0.409 0.0219 0.69 0.41 0.0211 0.63 0.929 0.9988 3178245 Maybridge4_002145 Cc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B12 compound treatment 0.397 0.00991 0.31 0.408 0.0191 0.57 0.6203 0.9605 3063735 Maybridge4_002146 FC(F)(F)c1cc(n2ncc(C(=O)NC(=S)Nc3ccccc3Cl)c2n1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B13 compound treatment 0.407 0.0199 0.63 0.411 0.0221 0.65 0.9055 0.9997 1629969 Maybridge4_002147 CCOC(=O)c1sc(SC)c-2c1CCc3cnc(SC)nc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B14 compound treatment 0.352 -0.0351 -1.1 0.383 -0.00591 -0.18 -0.904 -0.8091 3178246 Maybridge4_002148 CC(C)CSc1nnc(CSCc2nc(cs2)c3ccc(Cl)cc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B15 compound treatment 0.454 0.0669 2.1 0.478 0.0891 2.64 3.3543 0.9937 1122221 Maybridge4_002149 Clc1ccc(cc1)C2CC(=CC(=S)S2)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B16 compound treatment 0.35 -0.0371 -1.17 0.361 -0.0279 -0.83 -1.4094 -0.9858 3063769 Maybridge4_002150 NNC(=O)c1ccc(CSc2ccc(cn2)C(F)(F)F)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B17 compound treatment 0.406 0.0189 0.59 0.408 0.0191 0.57 0.8204 0.9997 3178247 Maybridge4_002151 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B18 compound treatment 0.374 -0.0131 -0.41 0.368 -0.0209 -0.62 -0.7292 -0.9803 3063773 Maybridge4_002152 CC(C)(C)SC(=O)c1cccnc1SCCS(=O)(=O)c2cccc(c2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B19 compound treatment 0.422 0.0349 1.1 0.424 0.0351 1.04 1.5114 0.9996 3178248 Maybridge4_002153 Cc1csc2sc(/C=N/Cc3cccs3)c(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B20 compound treatment 0.418 0.0309 0.97 0.418 0.0291 0.86 1.2968 0.9982 1206852 Maybridge4_002154 CCOC(=O)c1cnc2n(C)nc(C)c2c1Sc3nnc(SC)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B21 compound treatment 0.402 0.0149 0.47 0.418 0.0291 0.86 0.941 0.959 3178249 Maybridge4_002155 CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c3CCC=Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B22 compound treatment 0.36 -0.0271 -0.85 0.388 -9.06E-4 -0.03 -0.6214 -0.729 3178341 Maybridge4_002156 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B23 mock treatment 0.364 -0.0231 -0.73 0.393 0.00409 0.12 -0.4277 -0.5809 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 B24 mock treatment 0.402 0.0149 0.47 0.411 0.0221 0.65 0.7943 0.9866 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C01 compound treatment 0.399 0.0119 0.37 0.415 0.0261 0.77 0.8115 0.9446 3063777 Maybridge4_002157 CCN(CC)C(=S)NC(=S)c1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C02 compound treatment 0.372 -0.0151 -0.47 0.384 -0.00491 -0.15 -0.4384 -0.8832 3178342 Maybridge4_002158 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(C)cc(C)n2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C03 compound treatment 0.372 -0.0151 -0.47 0.369 -0.0199 -0.59 -0.7527 -0.9942 1199477 Maybridge4_002159 CN(C1CCS(=O)(=O)C1)C(=O)COc2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C04 compound treatment 0.393 0.00591 0.19 0.385 -0.00391 -0.12 0.0495 0.2261 3178343 Maybridge4_002160 CSc1c(C#N)c(nn1C(=O)C(C)(C)C)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C05 compound treatment 0.367 -0.0201 -0.63 0.373 -0.0159 -0.47 -0.78 -0.9896 3063778 Maybridge4_002161 CS/C(=N/C(=N)Nc1ccc(Cl)cc1)/N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C06 compound treatment 0.389 0.00191 0.06 0.391 0.00209 0.06 0.0863 0.9999 3178344 Maybridge4_002162 Cc1c(csc1C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C07 compound treatment 0.4 0.0129 0.41 0.387 -0.00191 -0.06 0.247 0.6029 1368486 Maybridge4_002163 OC(=O)c1ccccc1SCC(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C08 compound treatment 0.366 -0.0211 -0.66 0.378 -0.0109 -0.32 -0.6975 -0.9454 3178345 Maybridge4_002164 CNC(=S)Nc1cscc1S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C09 compound treatment 0.384 -0.00309 -0.1 0.382 -0.00691 -0.2 -0.2135 -0.9422 3063810 Maybridge4_002165 Clc1cccc(NC(=S)NC(C#N)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C10 compound treatment 0.385 -0.00209 -0.07 0.397 0.00809 0.24 0.123 0.4947 3178346 Maybridge4_002166 CN(C)/C=C/C(=O)c1cnc2cc(C)nn2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C11 compound treatment 0.384 -0.00309 -0.1 0.406 0.0171 0.51 0.2894 0.5611 1175106 Maybridge4_002167 Cc1c(nnc2cc(nn12)c3ccccc3)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C12 compound treatment 0.37 -0.0171 -0.54 0.377 -0.0119 -0.35 -0.6295 -0.9792 3178347 Maybridge4_002168 COC(=O)c1scc(c1n2cccc2)S(=O)(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C13 compound treatment 0.396 0.00891 0.28 0.405 0.0161 0.48 0.5352 0.9678 1474680 Maybridge4_002169 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C14 compound treatment 0.367 -0.0201 -0.63 0.369 -0.0199 -0.59 -0.8639 -0.9994 1123050 Maybridge4_002170 CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C15 compound treatment 0.376 -0.0111 -0.35 0.382 -0.00691 -0.2 -0.3914 -0.9677 1443948 Maybridge4_002171 O=c1c2CSCc2[nH]c3cc(nn13)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C16 compound treatment 0.414 0.0269 0.85 0.408 0.0191 0.57 0.9983 0.9809 3063812 Maybridge4_002172 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C17 compound treatment 0.387 -9.38E-5 0.0 0.388 -9.06E-4 -0.03 -0.0211 -0.78 1153510 Maybridge4_002173 COc1c(Cl)scc1NC(=O)N2CC(C)OC(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C18 compound treatment 0.379 -0.00809 -0.25 0.397 0.00809 0.24 -0.0104 -0.0297 3063813 Maybridge4_002174 CS(=O)(=O)c1scc(c1C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C19 compound treatment 0.367 -0.0201 -0.63 0.369 -0.0199 -0.59 -0.8639 -0.9994 3178348 Maybridge4_002175 CC(C)(C)c1ccc(cc1)c2n[nH]c(c2C#N)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C20 compound treatment 0.381 -0.00609 -0.19 0.393 0.00409 0.12 -0.0497 -0.2192 3178349 Maybridge4_002176 Cn1nc(cc1C(F)(F)F)c2ccc(s2)C(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C21 compound treatment 0.393 0.00591 0.19 0.421 0.0321 0.95 0.8038 0.8295 3063814 Maybridge4_002177 COC(=O)c1sc(SC)c(C#N)c1c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C22 compound treatment 0.354 -0.0331 -1.04 0.374 -0.0149 -0.44 -1.0481 -0.9272 3178350 Maybridge4_002178 CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C23 mock treatment 0.365 -0.0221 -0.69 0.381 -0.00791 -0.23 -0.6569 -0.896 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 C24 mock treatment 0.383 -0.00409 -0.13 0.389 9.38E-5 0.0 -0.0891 -0.6917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D01 compound treatment 0.388 9.06E-4 0.03 0.393 0.00409 0.12 0.1059 0.8501 3063815 Maybridge4_002179 Nc1nc(ncc1S(=O)(=O)Cc2ccco2)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D02 compound treatment 0.374 -0.0131 -0.41 0.388 -9.06E-4 -0.03 -0.3101 -0.7516 3063818 Maybridge4_002180 CC(C)(C)S(=O)(=O)c1cnc(nc1N)c2cnccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D03 compound treatment 0.408 0.0209 0.66 0.4 0.0111 0.33 0.6973 0.9487 3178351 Maybridge4_002181 Cc1csc2sc(COC(=O)Nc3ccccc3)c(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D04 compound treatment 0.352 -0.0351 -1.1 0.366 -0.0229 -0.68 -1.2602 -0.9728 3178352 Maybridge4_002182 CSc1sc(C(=O)NN)c2CCCC3(SCCS3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D05 compound treatment 0.388 9.06E-4 0.03 0.397 0.00809 0.24 0.1897 0.7856 3063851 Maybridge4_002183 CCOC(=O)c1sc(c2/C(=N\O)/CC(C)(C)Cc12)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D06 compound treatment 0.418 0.0309 0.97 0.421 0.0321 0.95 1.3596 0.9999 3178353 Maybridge4_002184 Cc1ccc(cc1)S(=O)(=O)CCSc2sc(C#N)c3CC(C)(C)CC(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D07 compound treatment 0.38 -0.00709 -0.22 0.383 -0.00591 -0.18 -0.2815 -0.9928 1145089 Maybridge4_002185 CSc1sc(C(=O)O)c-2c1S(=O)(=O)N(C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D08 compound treatment 0.387 -9.38E-5 0.0 0.384 -0.00491 -0.15 -0.1049 -0.7213 3178354 Maybridge4_002186 FC(F)(F)c1cccc(c1)C(=O)C(=C2SCCCCS2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D09 compound treatment 0.394 0.00691 0.22 0.376 -0.0129 -0.38 -0.1169 -0.2657 3063853 Maybridge4_002187 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)NCc3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D10 compound treatment 0.335 -0.0521 -1.64 0.348 -0.0409 -1.21 -2.0153 -0.989 3178355 Maybridge4_002188 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4cccc(c4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D11 compound treatment 0.422 0.0349 1.1 0.419 0.0301 0.89 1.4066 0.9947 3063854 Maybridge4_002189 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)Sc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D12 compound treatment 0.404 0.0169 0.53 0.392 0.00309 0.09 0.4407 0.817 3178356 Maybridge4_002190 CC1(C)CCc2cc(ccc2O1)c3ccnc(S)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D13 compound treatment 0.377 -0.0101 -0.32 0.38 -0.00891 -0.26 -0.411 -0.9958 3063856 Maybridge4_002191 Cc1c(Br)sc2sc(c(C)c12)c3nn(C)cc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D14 compound treatment 0.433 0.0459 1.44 0.433 0.0441 1.31 1.9446 0.9988 3178357 Maybridge4_002192 CSc1sc(Cl)c2CC(C)(C)C/C(=N/O)/c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D15 compound treatment 0.405 0.0179 0.56 0.405 0.0161 0.48 0.7353 0.9966 3178358 Maybridge4_002193 CC(C)NC(=O)CSc1nccc(n1)c2sc3sc(Br)c(C)c3c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D16 compound treatment 0.4 0.0129 0.41 0.399 0.0101 0.3 0.4984 0.9887 3063857 Maybridge4_002194 Sc1nccc(n1)c2ccc3OCCc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D17 compound treatment 0.377 -0.0101 -0.32 0.374 -0.0149 -0.44 -0.5367 -0.9869 3063858 Maybridge4_002195 COc1ccc(CSc2nnc(CSc3cccs3)n2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D18 compound treatment 0.373 -0.0141 -0.44 0.381 -0.00791 -0.23 -0.479 -0.9556 3178359 Maybridge4_002196 CS(=O)(=NS(=O)(=O)c1cccc2nsnc12)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D19 compound treatment 0.343 -0.0441 -1.39 0.357 -0.0319 -0.95 -1.6489 -0.9826 3178360 Maybridge4_002197 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCCS(=O)(=O)c4ccccc4)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D20 compound treatment 0.381 -0.00609 -0.19 0.372 -0.0169 -0.5 -0.4897 -0.9131 3063859 Maybridge4_002198 CC(C)C1Oc2c(cccc2N(CC(=O)O)C1=S)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D21 compound treatment 0.374 -0.0131 -0.41 0.383 -0.00591 -0.18 -0.4149 -0.9274 3178361 Maybridge4_002199 CSc1nc(nc(c1C#N)c2ccc(OC(F)(F)F)cc2)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D22 compound treatment 0.368 -0.0191 -0.6 0.374 -0.0149 -0.44 -0.7369 -0.9886 1139728 Maybridge4_002200 CCOC(=O)CC1Sc2ccccc2N=C1SCCS(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D23 mock treatment 0.358 -0.0291 -0.91 0.385 -0.00391 -0.12 -0.7287 -0.7903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 D24 mock treatment 0.384 -0.00309 -0.1 0.397 0.00809 0.24 0.1008 0.3895 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E01 compound treatment 0.398 0.0109 0.34 0.41 0.0211 0.63 0.6845 0.9601 1149948 Maybridge4_002201 Clc1ccc(cc1)N2CCN(CC2)C3=Cc4ccccc4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E02 compound treatment 0.381 -0.00609 -0.19 0.388 -9.06E-4 -0.03 -0.1545 -0.7984 3178362 Maybridge4_002202 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(SC)nc(n2)C3CC3)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E03 compound treatment 1.223 0.836 26.28 0.366 -0.0229 -0.68 18.1055 0.6886 3063320 Maybridge4_002203 CSc1nc(N)n(n1)c2cc(Cl)cc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E04 compound treatment 0.384 -0.00309 -0.1 0.375 -0.0139 -0.41 -0.3602 -0.8507 3178363 Maybridge4_002204 CSc1n[nH]c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E05 compound treatment 0.372 -0.0151 -0.47 0.378 -0.0109 -0.32 -0.5641 -0.9825 1032087 Maybridge4_002205 Oc1ccnc(SCc2ccc(Cl)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E06 compound treatment 0.378 -0.00909 -0.29 0.384 -0.00491 -0.15 -0.305 -0.9508 3178364 Maybridge4_002206 CN1c2ccccc2C(=O)/C(=C\Nc3ncccn3)/S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E07 compound treatment 0.379 -0.00809 -0.25 0.383 -0.00591 -0.18 -0.3037 -0.9833 3063324 Maybridge4_002207 CCN(CCC#N)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E08 compound treatment 0.38 -0.00709 -0.22 0.387 -0.00191 -0.06 -0.1977 -0.8591 1520456 Maybridge4_002208 CCOC(=O)NS(=O)(=O)c1ccccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E09 compound treatment 0.408 0.0209 0.66 0.41 0.0211 0.63 0.9068 0.9997 1248613 Maybridge4_002209 O=c1cc([nH]c2cc(nn12)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E10 compound treatment 0.382 -0.00509 -0.16 0.385 -0.00391 -0.12 -0.1951 -0.9873 3178365 Maybridge4_002210 Cc1cccc(c1)c2n[nH]c(c2C#N)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E11 compound treatment 0.417 0.0299 0.94 0.414 0.0251 0.74 1.1907 0.9932 1374930 Maybridge4_002211 COc1cccc(c1)c2c(nnc3cc(nn23)c4ccccc4)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E12 compound treatment 0.392 0.00491 0.15 0.394 0.00509 0.15 0.2158 0.9999 1289071 Maybridge4_002212 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E13 compound treatment 0.396 0.00891 0.28 0.394 0.00509 0.15 0.3047 0.9579 1391332 Maybridge4_002213 COc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E14 compound treatment 0.371 -0.0161 -0.51 0.384 -0.00491 -0.15 -0.4606 -0.8749 3063326 Maybridge4_002214 Cc1nccc(n1)c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E15 compound treatment 0.381 -0.00609 -0.19 0.396 0.00709 0.21 0.0131 0.0462 3178456 Maybridge4_002215 Cn1nc(cc1N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E16 compound treatment 0.381 -0.00609 -0.19 0.378 -0.0109 -0.32 -0.364 -0.9689 1540260 Maybridge4_002216 CC(C)S(=O)(=O)c1csc(NC(=O)N2CCCCC2)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E17 compound treatment 0.408 0.0209 0.66 0.402 0.0131 0.39 0.7392 0.9684 1698879 Maybridge4_002217 Nc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E18 compound treatment 0.369 -0.0181 -0.57 0.371 -0.0179 -0.53 -0.7775 -0.9994 1598720 Maybridge4_002218 Clc1ccc(cc1)c2csc(S(=O)C3CCCCC3)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E19 compound treatment 0.368 -0.0191 -0.6 0.373 -0.0159 -0.47 -0.7578 -0.9928 1438402 Maybridge4_002219 O=C(c1ccccc1)c2cnc3ccccn3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E20 compound treatment 0.366 -0.0211 -0.66 0.375 -0.0139 -0.41 -0.7604 -0.9738 3178457 Maybridge4_002220 CN(C)c1scc(c1C#N)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E21 compound treatment 0.345 -0.0421 -1.32 0.347 -0.0419 -1.24 -1.814 -0.9995 3178458 Maybridge4_002221 Cc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E22 compound treatment 0.375 -0.0121 -0.38 0.369 -0.0199 -0.59 -0.686 -0.9775 1367919 Maybridge4_002222 O=S(=O)(Cc1ccco1)Cc2nc(cs2)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E23 mock treatment 0.376 -0.0111 -0.35 0.372 -0.0169 -0.5 -0.6009 -0.9844 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 E24 mock treatment 0.39 0.00291 0.09 0.378 -0.0109 -0.32 -0.1639 -0.488 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F01 compound treatment 0.403 0.0159 0.5 0.398 0.00909 0.27 0.5442 0.9579 3063357 Maybridge4_002223 CNC(=O)c1cc(C#N)c(SC)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F02 compound treatment 0.387 -9.38E-5 0.0 0.399 0.0101 0.3 0.2094 0.7001 3178459 Maybridge4_002224 CSc1scc2CCc3cnc(SCC(=O)c4ccc(Cl)cc4)nc3-c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F03 compound treatment 0.387 -9.38E-5 0.0 0.386 -0.00291 -0.09 -0.063 -0.7309 3063358 Maybridge4_002225 Cc1csc2sc(C(=O)Oc3ccc(Cl)cc3)c(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F04 compound treatment 0.394 0.00691 0.22 0.409 0.0201 0.6 0.5746 0.9066 3178460 Maybridge4_002226 Nc1nc(ncc1S(=O)(=O)c2ccc(cn2)C(F)(F)F)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F05 compound treatment 0.36 -0.0271 -0.85 0.355 -0.0339 -1.0 -1.3128 -0.9966 3063359 Maybridge4_002227 CSc1sc(cc1c2nc(C)cs2)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F06 compound treatment 0.397 0.00991 0.31 0.401 0.0121 0.36 0.4737 0.9976 3178461 Maybridge4_002228 CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F07 compound treatment 0.406 0.0189 0.59 0.393 0.00409 0.12 0.5061 0.8342 1693988 Maybridge4_002229 CS(=O)(=O)c1sc(C(=O)Nc2ccccc2Cl)c3CCC=Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F08 compound treatment 0.423 0.0359 1.13 0.43 0.0411 1.22 1.6594 0.9993 3178462 Maybridge4_002230 CSc1sc(c2ccon2)c(c1C#N)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F09 compound treatment 0.408 0.0209 0.66 0.402 0.0131 0.39 0.7392 0.9684 3178463 Maybridge4_002231 CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F10 compound treatment 0.38 -0.00709 -0.22 0.384 -0.00491 -0.15 -0.2605 -0.9785 3063360 Maybridge4_002232 FC(F)(F)c1ccc(nc1)S(=O)(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F11 compound treatment 0.379 -0.00809 -0.25 0.382 -0.00691 -0.2 -0.3247 -0.9942 3178464 Maybridge4_002233 CS(=O)(=NS(=O)(=O)c1ccc(s1)c2ccccn2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F12 compound treatment 0.43 0.0429 1.35 0.432 0.0431 1.28 1.8569 0.9996 3063362 Maybridge4_002234 C/S(=N\C(=O)Nc1ccc(Cl)cc1)/c2sc(Cl)c3CCCC(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F13 compound treatment 0.384 -0.00309 -0.1 0.384 -0.00491 -0.15 -0.1716 -0.9809 3178465 Maybridge4_002235 CS(=O)(=NC(=S)NC(=O)Oc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F14 compound treatment 0.394 0.00691 0.22 0.4 0.0111 0.33 0.386 0.9797 3063392 Maybridge4_002236 FC(F)(F)c1cnc(N2CCS(=NC(=O)c3ccccc3)CC2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F15 compound treatment 0.412 0.0249 0.78 0.421 0.0321 0.95 1.2262 0.9953 3178466 Maybridge4_002237 Cc1c(Br)sc2sc(c(C)c12)c3ccnc(SCC(=O)NCC=C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F16 compound treatment 0.383 -0.00409 -0.13 0.39 0.00109 0.03 -0.0681 -0.5131 1201268 Maybridge4_002238 C(Sc1nccc(n1)c2ccc3OCCc3c2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F17 compound treatment 0.409 0.0219 0.69 0.41 0.0211 0.63 0.929 0.9988 1378146 Maybridge4_002239 CS(=O)(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c3CCC=Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F18 compound treatment 0.425 0.0379 1.19 0.432 0.0431 1.28 1.7457 0.9994 1406686 Maybridge4_002240 Cc1nn(Cc2cccc(c2)C(=O)NC(=O)Nc3ccc(Cl)cc3)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F19 compound treatment 0.365 -0.0221 -0.69 0.36 -0.0289 -0.86 -1.0969 -0.9946 1721379 Maybridge4_002241 O=S(=O)(N1CCCCC1)c2ccc(s2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F20 compound treatment 0.42 0.0329 1.03 0.418 0.0291 0.86 1.3412 0.9959 3063394 Maybridge4_002242 CN(C)/C=C\1/C(=O)c2sccc2N(C)S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F21 compound treatment 0.373 -0.0141 -0.44 0.379 -0.00991 -0.29 -0.5209 -0.98 3178467 Maybridge4_002243 CSc1sc(c(C)c1c2ccnc(S)n2)c3nc(C)cs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F22 compound treatment 0.365 -0.0221 -0.69 0.373 -0.0159 -0.47 -0.8245 -0.9821 1422989 Maybridge4_002244 Clc1ccc(OC(=O)c2csc(n2)C3COc4ccccc4O3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F23 mock treatment 0.369 -0.0181 -0.57 0.372 -0.0169 -0.5 -0.7565 -0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 F24 mock treatment 0.421 0.0339 1.07 0.406 0.0171 0.51 1.112 0.9421 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G01 compound treatment 0.413 0.0259 0.81 0.427 0.0381 1.13 1.3742 0.9872 1651892 Maybridge4_002245 CCCCC1(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G02 compound treatment 0.402 0.0149 0.47 0.378 -0.0109 -0.32 0.1029 0.1808 3178468 Maybridge4_002246 CSc1nc(N/C=C(\C#N)/S(=O)(=O)c2ccccc2Cl)nc(n1)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G03 compound treatment 0.388 9.06E-4 0.03 0.379 -0.00991 -0.29 -0.1874 -0.6355 3063398 Maybridge4_002247 CC(=N)NC(=S)Nc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G04 compound treatment 0.375 -0.0121 -0.38 0.385 -0.00391 -0.12 -0.3507 -0.8824 3178469 Maybridge4_002248 CSc1n[nH]c(NC(=O)Nc2ccccc2)c1S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G05 compound treatment 0.419 0.0319 1.0 0.41 0.0211 0.63 1.1514 0.9741 3063400 Maybridge4_002249 CN(C)C(=O)Oc1ccnc(SCc2c(F)cccc2Cl)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G06 compound treatment 0.391 0.00391 0.12 0.383 -0.00591 -0.18 -0.0369 -0.1726 3178470 Maybridge4_002250 COc1ccc(cc1)c2n[nH]c(SC)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G07 compound treatment 0.413 0.0259 0.81 0.408 0.0191 0.57 0.9761 0.9841 3063401 Maybridge4_002251 Cc1ccc(COc2ccc(I)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G08 compound treatment 0.426 0.0389 1.22 0.414 0.0251 0.74 1.3908 0.9715 3178471 Maybridge4_002252 CSc1sc(C(=O)Nc2cccc(Cl)c2)c(c1C#N)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G09 compound treatment 0.419 0.0319 1.0 0.386 -0.00291 -0.09 0.6485 0.644 1687124 Maybridge4_002253 CCN(CCS(=O)(=O)c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G10 compound treatment 0.406 0.0189 0.59 0.372 -0.0169 -0.5 0.0661 0.0851 3178472 Maybridge4_002254 COC(=O)c1scc(c1N)S(=O)(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G11 compound treatment 0.427 0.0399 1.25 0.422 0.0331 0.98 1.5807 0.9926 1226475 Maybridge4_002255 NC(=O)c1nnc2cc(nn2c1N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G12 compound treatment 0.43 0.0429 1.35 0.43 0.0411 1.22 1.815 0.9987 1452741 Maybridge4_002256 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G13 compound treatment 0.461 0.0739 2.32 0.404 0.0151 0.45 1.9595 0.828 3063431 Maybridge4_002257 Fc1cccc(Cl)c1CN/C(=C(\N=C\c2cccs2)/C#N)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G14 compound treatment 0.426 0.0389 1.22 0.418 0.0291 0.86 1.4746 0.9853 3178473 Maybridge4_002258 Clc1cccc(Cl)c1CSc2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G15 compound treatment 0.412 0.0249 0.78 0.401 0.0121 0.36 0.8072 0.9372 3178474 Maybridge4_002259 COc1ccc(/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G16 compound treatment 0.434 0.0469 1.47 0.425 0.0361 1.07 1.7992 0.9875 1133071 Maybridge4_002260 CNC(=O)Nc1ccccc1NC2=C(CSC2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G17 compound treatment 0.39 0.00291 0.09 0.37 -0.0189 -0.56 -0.3315 -0.584 3178475 Maybridge4_002261 CC1CN(CC(C)O1)/C=C(\C#N)/S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G18 compound treatment 0.391 0.00391 0.12 0.376 -0.0129 -0.38 -0.1836 -0.457 3063432 Maybridge4_002262 CS(=O)(=NS(=O)(=O)c1ccccc1C(F)(F)F)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G19 compound treatment 0.393 0.00591 0.19 0.399 0.0101 0.3 0.3428 0.9737 1259331 Maybridge4_002263 COCc1cc(O)nc2n(C)nc(c3cccs3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G20 compound treatment 0.383 -0.00409 -0.13 0.385 -0.00391 -0.12 -0.1729 -0.9986 3063433 Maybridge4_002264 CS/C(=C(/C#N)\S(=O)(=O)C(C)C)/N1CCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G21 compound treatment 0.389 0.00191 0.06 0.382 -0.00691 -0.2 -0.1023 -0.4798 3178476 Maybridge4_002265 CSc1c(C#N)c(nn1CC(=O)NN)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G22 compound treatment 0.381 -0.00609 -0.19 0.38 -0.00891 -0.26 -0.3221 -0.9876 3063434 Maybridge4_002266 Cc1onc(c1C(=O)N=S(=O)(C)C)c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G23 mock treatment 0.39 0.00291 0.09 0.381 -0.00791 -0.23 -0.101 -0.4018 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 G24 mock treatment 0.388 9.06E-4 0.03 0.383 -0.00591 -0.18 -0.1036 -0.5843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H01 compound treatment 0.408 0.0209 0.66 0.41 0.0211 0.63 0.9068 0.9997 3178477 Maybridge4_002267 CCOC(=O)c1sc(SCc2ccccc2)c(c1n3cccc3)S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H02 compound treatment 0.404 0.0169 0.53 0.41 0.0211 0.63 0.8179 0.9968 1259984 Maybridge4_002268 CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3-c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H03 compound treatment 0.356 -0.0311 -0.98 0.372 -0.0169 -0.5 -1.0456 -0.9518 3063436 Maybridge4_002269 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H04 compound treatment 0.398 0.0109 0.34 0.375 -0.0139 -0.41 -0.0489 -0.0912 3178558 Maybridge4_002270 COC(=O)c1sc(SCCOC(=O)c2ccccc2Cl)c3C(=O)CC(C)(C)Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H05 compound treatment 0.392 0.00491 0.15 0.384 -0.00491 -0.15 0.0063 0.0297 3063438 Maybridge4_002271 CSc1sc(C#N)c(C)c1c2ccn(n2)C(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H06 compound treatment 0.468 0.0809 2.54 0.458 0.0691 2.05 3.2466 0.9942 3178559 Maybridge4_002272 CSc1sc(C(=O)/C=C/N(C)C)c(c1C#N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H07 compound treatment 0.432 0.0449 1.41 0.425 0.0361 1.07 1.7547 0.9906 1222048 Maybridge4_002273 CS(=O)c1sc(C(=O)OCc2ccccc2)c3CC(C)(C)CC(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H08 compound treatment 0.422 0.0349 1.1 0.42 0.0311 0.92 1.4276 0.9962 3178560 Maybridge4_002274 CSc1sc(c2cc[nH]n2)c(c1C#N)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H09 compound treatment 0.419 0.0319 1.0 0.409 0.0201 0.6 1.1304 0.969 3178561 Maybridge4_002275 CC1(C)CC(=O)C=C(SCc2c(Cl)cccc2Cl)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H10 compound treatment 0.405 0.0179 0.56 0.396 0.00709 0.21 0.5468 0.9098 1307156 Maybridge4_002276 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)C(=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H11 compound treatment 0.392 0.00491 0.15 0.399 0.0101 0.3 0.3206 0.9526 3063440 Maybridge4_002277 CSc1nnc(c2ccc(s2)S(=O)(=O)n3nc(C)cc3C)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H12 compound treatment 0.385 -0.00209 -0.07 0.364 -0.0249 -0.74 -0.5684 -0.7671 3178562 Maybridge4_002278 CCSc1nccc(n1)c2ccc3OC(C)(C)CCc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H13 compound treatment 0.434 0.0469 1.47 0.422 0.0331 0.98 1.7363 0.9803 3063442 Maybridge4_002279 Cc1csc2sc(c(C)c12)c3ccnc(SCc4ccccc4)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H14 compound treatment 0.419 0.0319 1.0 0.414 0.0251 0.74 1.2352 0.9891 3178563 Maybridge4_002280 CCOC(=O)c1sc(/S(=N/C(=O)Nc2ccccc2Cl)/C)c3C=CCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H15 compound treatment 0.385 -0.00209 -0.07 0.386 -0.00291 -0.09 -0.1074 -0.9912 1505800 Maybridge4_002281 COC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(s1)c2nnc(SC)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H16 compound treatment 0.411 0.0239 0.75 0.407 0.0181 0.54 0.9106 0.9863 3178564 Maybridge4_002282 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCSc2ncccc2C(=O)NCc3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H17 compound treatment 0.434 0.0469 1.47 0.422 0.0331 0.98 1.7363 0.9803 3178565 Maybridge4_002283 Clc1ccc(cc1)C2CC(=O)C=C(SCC(=O)c3ccccc3)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H18 compound treatment 0.382 -0.00509 -0.16 0.388 -9.06E-4 -0.03 -0.1322 -0.8143 3063443 Maybridge4_002284 C/C(=N\O)/c1ccc2OCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H19 compound treatment 0.415 0.0279 0.88 0.394 0.00509 0.15 0.7272 0.8167 3063445 Maybridge4_002285 CC1(C)CC(=O)c2c(SCC(=O)NN)sc(C#N)c2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H20 compound treatment 0.379 -0.00809 -0.25 0.39 0.00109 0.03 -0.157 -0.6121 1254429 Maybridge4_002286 Cc1nn(C)c2ncc(C(=O)N)c(Oc3cccnc3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H21 compound treatment 0.386 -0.00109 -0.03 0.381 -0.00791 -0.23 -0.19 -0.8023 3063446 Maybridge4_002287 CCOC(=O)c1sc(SC)c2c1CCCC32SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H22 compound treatment 0.441 0.0539 1.7 0.379 -0.00991 -0.29 0.991 0.5761 1921420 Maybridge4_002288 OC(=O)/C=C/1\OC(=O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H23 mock treatment 0.379 -0.00809 -0.25 0.372 -0.0169 -0.5 -0.5342 -0.9507 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 H24 mock treatment 0.397 0.00991 0.31 0.392 0.00309 0.09 0.2851 0.878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I01 compound treatment 0.398 0.0109 0.34 0.405 0.0161 0.48 0.5797 0.9869 3178566 Maybridge4_002289 Cc1ccc(cc1)C(=O)OC[C@H]2O[C@@H](C[C@@H]2OC(=O)c3ccc(C)cc3)c4nnc5ncccn45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I02 compound treatment 0.342 -0.0451 -1.42 0.348 -0.0409 -1.21 -1.8597 -0.997 3178567 Maybridge4_002290 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)Cc2ccc(Cl)cc2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I03 compound treatment 0.373 -0.0141 -0.44 0.375 -0.0139 -0.41 -0.6047 -0.9993 3063447 Maybridge4_002291 CCOC(=O)c1c(C)noc1c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I04 compound treatment 0.391 0.00391 0.12 0.388 -9.06E-4 -0.03 0.0679 0.5398 3064096 Maybridge4_002292 CSc1sc(NC(=O)N2CCOCC2)c(c1C#N)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I05 compound treatment 0.376 -0.0111 -0.35 0.379 -0.00991 -0.29 -0.4542 -0.9963 3064097 Maybridge4_002293 CCOC(=O)/C=C/1\NC(=O)CS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I06 compound treatment 0.354 -0.0331 -1.04 0.379 -0.00991 -0.29 -0.9434 -0.8725 3064098 Maybridge4_002294 CSc1[nH]nc(c1C#N)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I07 compound treatment 0.372 -0.0151 -0.47 0.369 -0.0199 -0.59 -0.7527 -0.9942 3064099 Maybridge4_002295 Fc1ccc(NC(=S)N(CCC#N)CC2CCCO2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I08 compound treatment 0.375 -0.0121 -0.38 0.38 -0.00891 -0.26 -0.4555 -0.9841 3064100 Maybridge4_002296 CSc1sc(C(=O)O)c(C)c1S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I09 compound treatment 0.385 -0.00209 -0.07 0.376 -0.0129 -0.38 -0.317 -0.8168 1242964 Maybridge4_002297 Cc1nn(c(NC(=O)c2ccccc2)c1C#N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I10 compound treatment 0.393 0.00591 0.19 0.377 -0.0119 -0.35 -0.1181 -0.2963 3064101 Maybridge4_002298 CC(C)(C)S(=O)(=O)/C(=C/Nc1ccccn1)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I11 compound treatment 0.397 0.00991 0.31 0.378 -0.0109 -0.32 -0.0083 -0.0184 1003716 Maybridge4_002299 Cc1ccc(cc1)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I12 compound treatment 0.392 0.00491 0.15 0.387 -0.00191 -0.06 0.0691 0.4209 3064102 Maybridge4_002300 COC(=O)c1scc(c1/N=C/N(C)C)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I13 compound treatment 0.544 0.157 4.93 0.523 0.134 3.97 6.2983 0.9942 3178568 Maybridge4_002301 COc1cccc(c1)C(=O)/C=c/2\[nH]c(=O)\c(=C/c3cccs3)\s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I14 compound treatment 0.389 0.00191 0.06 0.386 -0.00291 -0.09 -0.0185 -0.1764 1621333 Maybridge4_002302 Cc1nccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I15 compound treatment 0.431 0.0439 1.38 0.434 0.0451 1.34 1.921 0.9999 1156135 Maybridge4_002303 CC(C)(C)c1ccc(cc1)c2n[nH]c(NS(=O)(=O)c3ccccc3)c2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I16 compound treatment 0.412 0.0249 0.78 0.412 0.0231 0.68 1.0376 0.9977 3064103 Maybridge4_002304 COC(=O)c1sc(SC)c(C#N)c1c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I17 compound treatment 0.408 0.0209 0.66 0.406 0.0171 0.51 0.823 0.9917 1665125 Maybridge4_002305 O=C(Nc1ccccc1)Nc2ccc(cc2)C3SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I18 compound treatment 0.383 -0.00409 -0.13 0.38 -0.00891 -0.26 -0.2776 -0.9455 3064104 Maybridge4_002306 O=S(=O)(C(=C1SCCCS1)C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I19 compound treatment 0.409 0.0219 0.69 0.409 0.0201 0.6 0.9081 0.9974 3178569 Maybridge4_002307 CSc1nc2cc(C)nn2c(c1C#N)c3ccc(cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I20 compound treatment 0.386 -0.00109 -0.03 0.392 0.00309 0.09 0.0405 0.4137 3178570 Maybridge4_002308 Cc1ccc(cc1)S(=O)(=NC(=O)NC(=O)c2c(Cl)cccc2Cl)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I21 compound treatment 0.391 0.00391 0.12 0.389 9.38E-5 0.0 0.0888 0.7229 3064105 Maybridge4_002309 CSc1nc(C)nc(N/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I22 compound treatment 0.367 -0.0201 -0.63 0.365 -0.0239 -0.71 -0.9477 -0.9984 1118314 Maybridge4_002310 NNC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I23 mock treatment 0.376 -0.0111 -0.35 0.371 -0.0179 -0.53 -0.6218 -0.9793 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 I24 mock treatment 0.4 0.0129 0.41 0.37 -0.0189 -0.56 -0.1092 -0.1578 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J01 compound treatment 0.406 0.0189 0.59 0.43 0.0411 1.22 1.2814 0.9456 3064106 Maybridge4_002311 CSc1sc(c2n[nH]cc2Br)c3CC(C)(C)CC(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J02 compound treatment 0.397 0.00991 0.31 0.395 0.00609 0.18 0.3479 0.9664 3178571 Maybridge4_002312 CSc1scc2CCc3cnc(SCC(=O)NCC=C)nc3-c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J03 compound treatment 0.394 0.00691 0.22 0.408 0.0191 0.57 0.5536 0.9135 3064107 Maybridge4_002313 CSc1sc(C#N)c2CC(CC(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J04 compound treatment 0.408 0.0209 0.66 0.397 0.00809 0.24 0.6344 0.9066 3178572 Maybridge4_002314 NC(=S)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J05 compound treatment 0.386 -0.00109 -0.03 0.374 -0.0149 -0.44 -0.3366 -0.7599 3064108 Maybridge4_002315 COC(=O)c1sccc1N/C=C(\C#N)/S(=O)(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J06 compound treatment 0.414 0.0269 0.85 0.417 0.0281 0.83 1.1869 1.0 3178573 Maybridge4_002316 CCOC(=O)c1sc(SC)c-2c1CCc3conc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J07 compound treatment 0.366 -0.0211 -0.66 0.376 -0.0129 -0.38 -0.7394 -0.9658 3178574 Maybridge4_002317 Cc1nn(Cc2nnc(o2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J08 compound treatment 0.387 -9.38E-5 0.0 0.391 0.00209 0.06 0.0418 0.6728 3064109 Maybridge4_002318 CCCS(=O)(=O)/C(=C/c1sccc1Oc2ccccc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J09 compound treatment 0.403 0.0159 0.5 0.412 0.0231 0.68 0.8375 0.9881 3178575 Maybridge4_002319 Cc1ccc(cc1)S(=O)(=O)CCSC2=CC(=O)CC(C)(C)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J10 compound treatment 0.414 0.0269 0.85 0.411 0.0221 0.65 1.0612 0.992 3064110 Maybridge4_002320 Clc1ccc(cc1)c2ccnc(SCCS(=O)(=O)c3ccc(Cl)cc3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J11 compound treatment 0.423 0.0359 1.13 0.424 0.0351 1.04 1.5336 0.9992 3178576 Maybridge4_002321 CSc1sc(C(=O)Sc2ccccc2)c-3c1S(=O)(=O)N(C)c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J12 compound treatment 0.42 0.0329 1.03 0.412 0.0231 0.68 1.2155 0.9799 1454764 Maybridge4_002322 CCOC(=O)C1=C(Nc2ccc(OC(=O)C)cc2)C(=O)N(C1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J13 compound treatment 0.401 0.0139 0.44 0.394 0.00509 0.15 0.4159 0.8991 3178577 Maybridge4_002323 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)c4ccccc4)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J14 compound treatment 0.394 0.00691 0.22 0.395 0.00609 0.18 0.2812 0.9958 3178578 Maybridge4_002324 CCOC(=O)c1sc(/S(=N/S(=O)(=O)c2cccc(Cl)c2)/C)c3C=CCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J15 compound treatment 0.381 -0.00609 -0.19 0.377 -0.0119 -0.35 -0.385 -0.9589 3064111 Maybridge4_002325 COc1cccc(NC(=S)N=S(=O)(C)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J16 compound treatment 0.378 -0.00909 -0.29 0.401 0.0121 0.36 0.0512 0.1117 3178579 Maybridge4_002326 CCCCc1ccc(NC(=O)N=S2CCN(CC2)c3ncc(cc3Cl)C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J17 compound treatment 0.389 0.00191 0.06 0.394 0.00509 0.15 0.1491 0.9182 3064112 Maybridge4_002327 Cc1nn(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J18 compound treatment 0.4 0.0129 0.41 0.393 0.00409 0.12 0.3727 0.88 3178580 Maybridge4_002328 C/S(=N/C(=O)Nc1ccc(Cl)cc1)/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J19 compound treatment 0.362 -0.0251 -0.79 0.367 -0.0219 -0.65 -1.0169 -0.9953 3064113 Maybridge4_002329 CS(=O)(=NS(=O)(=O)c1cc(cs1)S(=O)(=O)c2ccccc2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J20 compound treatment 0.415 0.0279 0.88 0.428 0.0391 1.16 1.4396 0.9906 1183286 Maybridge4_002330 CN1c2ccsc2-c3nc(SCc4ccc(Cl)cc4)ncc3S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J21 compound treatment 0.395 0.00791 0.25 0.401 0.0121 0.36 0.4292 0.984 3064114 Maybridge4_002331 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCSc2ccc(cn2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J22 compound treatment 0.385 -0.00209 -0.07 0.394 0.00509 0.15 0.0602 0.3654 3178581 Maybridge4_002332 O=C(CCN1CCC(=N1)c2cccs2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J23 mock treatment 0.38 -0.00709 -0.22 0.369 -0.0199 -0.59 -0.5748 -0.9115 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 J24 mock treatment 0.407 0.0199 0.63 0.394 0.00509 0.15 0.5493 0.8532 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K01 compound treatment 0.408 0.0209 0.66 0.413 0.0241 0.71 0.9697 0.9992 3064115 Maybridge4_002333 C/C(=C\C#N)/Nc1c(C)n(C)n(c2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K02 compound treatment 0.386 -0.00109 -0.03 0.39 0.00109 0.03 -0.0014 -0.0297 3178657 Maybridge4_002334 CSc1sc(C(=O)O)c(c1C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K03 compound treatment 0.356 -0.0311 -0.98 0.358 -0.0309 -0.92 -1.3389 -0.9995 1629094 Maybridge4_002335 NC(=S)NN1C2CSC1CS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K04 compound treatment 0.393 0.00591 0.19 0.387 -0.00191 -0.06 0.0914 0.4707 3178658 Maybridge4_002336 CSc1c(C#N)c(nn1C(=O)c2cccs2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K05 compound treatment 0.381 -0.00609 -0.19 0.378 -0.0109 -0.32 -0.364 -0.9689 3178659 Maybridge4_002337 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCCN3C2c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K06 compound treatment 0.368 -0.0191 -0.6 0.367 -0.0219 -0.65 -0.8835 -0.9992 3064116 Maybridge4_002338 CSc1nc(/N=C/N(C)C)n2nc(cc2n1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K07 compound treatment 0.37 -0.0171 -0.54 0.384 -0.00491 -0.15 -0.4829 -0.8672 3178660 Maybridge4_002339 CN(CCC#N)C(=S)Nc1ccc(F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K08 compound treatment 0.385 -0.00209 -0.07 0.386 -0.00291 -0.09 -0.1074 -0.9912 3064117 Maybridge4_002340 COC(=O)c1scc(C#N)c1/N=C/N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K09 compound treatment 0.401 0.0139 0.44 0.391 0.00209 0.06 0.3531 0.7994 1197958 Maybridge4_002341 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K10 compound treatment 0.403 0.0159 0.5 0.39 0.00109 0.03 0.3766 0.7514 1372972 Maybridge4_002342 COc1ncccc1C(=O)Nc2ccc(F)cc2F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K11 compound treatment 0.399 0.0119 0.37 0.389 9.38E-5 0.0 0.2667 0.7123 3178661 Maybridge4_002343 CC(=O)Nc1c(Br)c(nn1c2ccccc2)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K12 compound treatment 0.398 0.0109 0.34 0.386 -0.00291 -0.09 0.1816 0.5136 3064118 Maybridge4_002344 O=S(=O)(/C(=C/c1ccc(\C=C(/C#N)\S(=O)(=O)c2ccccc2)cc1)/C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K13 compound treatment 0.405 0.0179 0.56 0.396 0.00709 0.21 0.5468 0.9098 3178662 Maybridge4_002345 Oc1c2CN(C3CCCCC3)C(=O)c2nc4cc(nn14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K14 compound treatment 0.401 0.0139 0.44 0.399 0.0101 0.3 0.5207 0.9828 1503351 Maybridge4_002346 CNC(=O)Nc1cccc(c1)c2ccnc(C)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K15 compound treatment 0.411 0.0239 0.75 0.411 0.0221 0.65 0.9945 0.9976 3178663 Maybridge4_002347 Clc1ccc(cc1)S(=O)(=O)/C(=C/c2ccccc2Cl)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K16 compound treatment 0.393 0.00591 0.19 0.382 -0.00691 -0.2 -0.0134 -0.0484 1326810 Maybridge4_002348 CC(C)S(=O)(=O)c1cnc(nc1N)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K17 compound treatment 0.396 0.00891 0.28 0.389 9.38E-5 0.0 0.2 0.7141 3064119 Maybridge4_002349 CNC(=O)Nc1ccc(cc1)C2SCCS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K18 compound treatment 0.363 -0.0241 -0.76 0.365 -0.0239 -0.71 -1.0366 -0.9994 1218060 Maybridge4_002350 CCOC(=O)c1cnc2c(csc2c1Sc3ccc(Cl)cc3)S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K19 compound treatment 0.416 0.0289 0.91 0.407 0.0181 0.54 1.0218 0.9683 3064120 Maybridge4_002351 CSc1nc2cc(C)nn2c(c3ccco3)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K20 compound treatment 0.364 -0.0231 -0.73 0.358 -0.0309 -0.92 -1.161 -0.9934 1209169 Maybridge4_002352 CS(=O)N(C(=O)c1scc(c1C)S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K21 compound treatment 0.384 -0.00309 -0.1 0.376 -0.0129 -0.38 -0.3392 -0.8596 1134325 Maybridge4_002353 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(c3cccs3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K22 compound treatment 0.392 0.00491 0.15 0.4 0.0111 0.33 0.3415 0.9405 1310626 Maybridge4_002354 CCOC(=O)CSc1sc(C(=O)OCC)c-2c1S(=O)(=O)N(C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K23 mock treatment 0.385 -0.00209 -0.07 0.375 -0.0139 -0.41 -0.3379 -0.8098 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 K24 mock treatment 0.401 0.0139 0.44 0.399 0.0101 0.3 0.5207 0.9828 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L01 compound treatment 0.408 0.0209 0.66 0.422 0.0331 0.98 1.1582 0.9811 3064121 Maybridge4_002355 CSc1sc(c2ccn(n2)C(=O)Nc3ccccc3)c4CC(C)(C)CC(=O)c14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L02 compound treatment 0.372 -0.0151 -0.47 0.374 -0.0149 -0.44 -0.6479 -0.9994 3178664 Maybridge4_002356 CS(=O)(=N/C=C(\C#N)/S(=O)(=O)c1ccc(cn1)C(F)(F)F)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L03 compound treatment 0.366 -0.0211 -0.66 0.389 9.38E-5 0.0 -0.467 -0.7041 3064122 Maybridge4_002357 CSc1sc(C#N)c(C)c1C(=O)/C=C/N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L04 compound treatment 0.397 0.00991 0.31 0.404 0.0151 0.45 0.5365 0.9844 3178665 Maybridge4_002358 CCOC(=O)c1sc(SCCS(=O)(=O)c2ccc(Cl)cc2)c3C(=O)CCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L05 compound treatment 0.383 -0.00409 -0.13 0.378 -0.0109 -0.32 -0.3195 -0.9186 1438715 Maybridge4_002359 Cc1c(C=C)c(sc1C(=O)Oc2ccccc2)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L06 compound treatment 0.382 -0.00509 -0.16 0.388 -9.06E-4 -0.03 -0.1322 -0.8143 3178666 Maybridge4_002360 CC1(C)CC(=O)c2c(SCCOC(=O)c3ccccc3Cl)sc(C#N)c2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L07 compound treatment 0.399 0.0119 0.37 0.401 0.0121 0.36 0.5181 0.9998 3064123 Maybridge4_002361 Cc1nn(Cc2nc(cs2)C(C)(C)C)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L08 compound treatment 0.378 -0.00909 -0.29 0.366 -0.0229 -0.68 -0.6821 -0.9262 1009905 Maybridge4_002362 CC(=O)Nc1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L09 compound treatment 0.409 0.0219 0.69 0.407 0.0181 0.54 0.8662 0.9923 3178667 Maybridge4_002363 CSc1sc(c2CCCC(=O)c12)c3ccnc(SCC(=O)c4ccc(Cl)cc4)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L10 compound treatment 0.384 -0.00309 -0.1 0.387 -0.00191 -0.06 -0.1087 -0.9666 3064124 Maybridge4_002364 O=S1(=O)CC=C(C1)Sc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L11 compound treatment 0.388 9.06E-4 0.03 0.387 -0.00191 -0.06 -0.0198 -0.3128 3178668 Maybridge4_002365 Cc1cc(C)n(CCS(=O)(=O)c2ccc(Cl)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L12 compound treatment 0.417 0.0299 0.94 0.424 0.0351 1.04 1.4002 0.9987 3064125 Maybridge4_002366 Clc1ccc(cc1)C(=O)Nc2cc(cs2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L13 compound treatment 0.405 0.0179 0.56 0.419 0.0301 0.89 1.0287 0.9754 3178669 Maybridge4_002367 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)NCc4ccccc4)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L14 compound treatment 0.401 0.0139 0.44 0.393 0.00409 0.12 0.395 0.8704 1344584 Maybridge4_002368 COC(=O)c1c(C)n2CSCc2c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L15 compound treatment 0.393 0.00591 0.19 0.394 0.00509 0.15 0.238 0.9947 3178670 Maybridge4_002369 CN(C)/C=C/C(=O)c1ccsc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L16 compound treatment 0.398 0.0109 0.34 0.384 -0.00491 -0.15 0.1397 0.375 1542795 Maybridge4_002370 CCCCc1ccc(NC(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L17 compound treatment 0.38 -0.00709 -0.22 0.39 0.00109 0.03 -0.1348 -0.5981 1463535 Maybridge4_002371 CN1c2sc(C)c(C)c2C(=C(C(=O)Nc3ccc(Cl)cc3)S1(=O)=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L18 compound treatment 0.381 -0.00609 -0.19 0.38 -0.00891 -0.26 -0.3221 -0.9876 1537505 Maybridge4_002372 Cc1occc1C(=O)C(=C(NCc2cccnc2)NCc3cccnc3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L19 compound treatment 0.446 0.0589 1.85 0.419 0.0301 0.89 1.9403 0.9438 3064207 Maybridge4_002373 CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L20 compound treatment 0.403 0.0159 0.5 0.395 0.00609 0.18 0.4813 0.9052 3064208 Maybridge4_002374 FC(F)(F)c1ccc(SC(=O)c2csc(n2)C3COc4ccccc4O3)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L21 compound treatment 0.392 0.00491 0.15 0.381 -0.00791 -0.23 -0.0566 -0.2017 3064209 Maybridge4_002375 CN(C)/C=N/C(=O)c1sc(c2C=CCCc12)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L22 compound treatment 0.383 -0.00409 -0.13 0.373 -0.0159 -0.47 -0.4243 -0.8684 1320320 Maybridge4_002376 O=C(C1Cc2ccccc2C1)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L23 mock treatment 0.376 -0.0111 -0.35 0.37 -0.0189 -0.56 -0.6428 -0.974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 L24 mock treatment 0.394 0.00691 0.22 0.397 0.00809 0.24 0.3231 0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M01 compound treatment 0.416 0.0289 0.91 0.41 0.0211 0.63 1.0847 0.9833 3064210 Maybridge4_002377 OC(=O)c1ccc2ccccc2c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M02 compound treatment 0.417 0.0299 0.94 0.411 0.0221 0.65 1.1279 0.9843 3064211 Maybridge4_002378 Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cccc(Cl)c2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M03 compound treatment 0.379 -0.00809 -0.25 0.395 0.00609 0.18 -0.0523 -0.1675 3178671 Maybridge4_002379 COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M04 compound treatment 0.388 9.06E-4 0.03 0.393 0.00409 0.12 0.1059 0.8501 3178672 Maybridge4_002380 CCOC(=O)/C(=C\Nc1ccc(F)c(Cl)c1)/S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M05 compound treatment 0.414 0.0269 0.85 0.424 0.0351 1.04 1.3335 0.9948 3064212 Maybridge4_002381 Clc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M06 compound treatment 0.394 0.00691 0.22 0.389 9.38E-5 0.0 0.1555 0.7161 3064213 Maybridge4_002382 NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M07 compound treatment 0.394 0.00691 0.22 0.404 0.0151 0.45 0.4698 0.9449 3178673 Maybridge4_002383 Cc1cc(C)cc(NC(=S)Nc2cc(C)cc(C)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M08 compound treatment 0.431 0.0439 1.38 0.433 0.0441 1.31 1.9001 0.9996 3178674 Maybridge4_002384 Clc1ccc(SCC(=O)Nc2cscc2S(=O)(=O)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M09 compound treatment 0.38 -0.00709 -0.22 0.367 -0.0219 -0.65 -0.6167 -0.8985 1165743 Maybridge4_002385 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M10 compound treatment 0.371 -0.0161 -0.51 0.363 -0.0259 -0.77 -0.9006 -0.9796 3178675 Maybridge4_002386 Clc1ccccc1NC(=S)Nc2cscc2S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M11 compound treatment 0.388 9.06E-4 0.03 0.383 -0.00591 -0.18 -0.1036 -0.5843 1302916 Maybridge4_002387 CC(C)(C)n1nc(cc1NC(=O)Nc2ccccc2)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M12 compound treatment 0.388 9.06E-4 0.03 0.44 0.0511 1.51 1.0907 0.7203 3178676 Maybridge4_002388 COC(=O)c1sc(SC)c(c1C)c2ccn(n2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M13 compound treatment 0.391 0.00391 0.12 0.39 0.00109 0.03 0.1098 0.8641 3064215 Maybridge4_002389 COc1c(Cl)scc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M14 compound treatment 0.382 -0.00509 -0.16 0.382 -0.00691 -0.2 -0.258 -0.9926 3178677 Maybridge4_002390 CC(C)S(=O)(=O)c1csc(C(=O)NN)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M15 compound treatment 0.434 0.0469 1.47 0.449 0.0601 1.78 2.302 0.9956 1619049 Maybridge4_002391 CC(C)(C)c1ccc(cc1)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M16 compound treatment 0.385 -0.00209 -0.07 0.392 0.00309 0.09 0.0183 0.1619 3178678 Maybridge4_002392 CSc1sc(C(=O)O)c(I)c1S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M17 compound treatment 0.395 0.00791 0.25 0.406 0.0171 0.51 0.5339 0.9463 3178679 Maybridge4_002393 CC(C)(C)c1ccc(cc1)C(=O)C(=C2SCCCS2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M18 compound treatment 0.382 -0.00509 -0.16 0.387 -0.00191 -0.06 -0.1532 -0.902 3064216 Maybridge4_002394 CS(=O)(=NC(=O)Nc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M19 compound treatment 0.388 9.06E-4 0.03 0.397 0.00809 0.24 0.1897 0.7856 3178680 Maybridge4_002395 CSc1nc2cc(C)nn2c(c1C#N)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M20 compound treatment 0.381 -0.00609 -0.19 0.395 0.00609 0.18 -0.0078 -0.0297 1447748 Maybridge4_002396 Clc1ccccc1c2csc(CS(=O)(=O)c3cccs3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M21 compound treatment 0.381 -0.00609 -0.19 0.393 0.00409 0.12 -0.0497 -0.2192 3178681 Maybridge4_002397 CSc1nc(N)n2nc(cc2n1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M22 compound treatment 0.41 0.0229 0.72 0.419 0.0301 0.89 1.1398 0.9944 3178753 Maybridge4_002398 CN(C)/C=C/C(=O)c1sc(SCc2ccc(Cl)cc2)c3C(=O)CC(C)(C)Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M23 mock treatment 0.38 -0.00709 -0.22 0.383 -0.00591 -0.18 -0.2815 -0.9928 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 M24 mock treatment 0.386 -0.00109 -0.03 0.402 0.0131 0.39 0.25 0.6419 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N01 compound treatment 0.42 0.0329 1.03 0.427 0.0381 1.13 1.5298 0.9991 3064217 Maybridge4_002399 CCOC(=O)c1sc2sc(C(=O)OCC)c(c3ccc(Cl)cc3)c2c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N02 compound treatment 0.373 -0.0141 -0.44 0.369 -0.0199 -0.59 -0.7304 -0.9901 3064244 Maybridge4_002400 CCOC(=O)NS(=O)(=O)c1ccc(s1)c2cc(n(C)n2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N03 compound treatment 0.385 -0.00209 -0.07 0.382 -0.00691 -0.2 -0.1913 -0.8897 3064245 Maybridge4_002401 CSc1scc2CC(C)(C)CC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N04 compound treatment 0.362 -0.0251 -0.79 0.376 -0.0129 -0.38 -0.8284 -0.9447 3064246 Maybridge4_002402 CC1(C)CCc2cc(ccc2O1)C3SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N05 compound treatment 0.374 -0.0131 -0.41 0.388 -9.06E-4 -0.03 -0.3101 -0.7516 3064248 Maybridge4_002403 Cc1nn(CC(=S)N)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N06 compound treatment 0.381 -0.00609 -0.19 0.386 -0.00291 -0.09 -0.1964 -0.9348 1138975 Maybridge4_002404 CC(C)S(=O)(=O)c1cscc1N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N07 compound treatment 0.345 -0.0421 -1.32 0.375 -0.0139 -0.41 -1.2273 -0.8853 3064249 Maybridge4_002405 Fc1cccc(NC(=S)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N08 compound treatment 0.392 0.00491 0.15 0.403 0.0141 0.42 0.4044 0.9083 3064250 Maybridge4_002406 Clc1ccc(C(=O)C2C(=O)CCC(C2=O)c3ccccc3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N09 compound treatment 0.401 0.0139 0.44 0.404 0.0151 0.45 0.6254 0.9999 3064251 Maybridge4_002407 CSc1sc(c2CC(C)(C)CC(=O)c12)c3ccnc(SCC(=O)C(C)(C)C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N10 compound treatment 0.381 -0.00609 -0.19 0.388 -9.06E-4 -0.03 -0.1545 -0.7984 1318871 Maybridge4_002408 Cn1ccnc1SCCS(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N11 compound treatment 0.388 9.06E-4 0.03 0.391 0.00209 0.06 0.064 0.9377 1250473 Maybridge4_002409 CCOC(=O)c1sc(SCc2ccccc2)c3c1-c4sccc4N(C)S3(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N12 compound treatment 0.383 -0.00409 -0.13 0.394 0.00509 0.15 0.0157 0.0792 3064253 Maybridge4_002410 FC(F)(F)c1cc(cc(c1)S(=O)(=O)/N=S\2/CCC3(C2)OCCO3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N13 compound treatment 0.397 0.00991 0.31 0.392 0.00309 0.09 0.2851 0.878 1662782 Maybridge4_002411 CSc1sc(c2nc(cs2)C(C)(C)C)c3CCCC(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N14 compound treatment 0.384 -0.00309 -0.1 0.403 0.0141 0.42 0.2265 0.5283 1607185 Maybridge4_002412 Clc1ccc(cc1)C(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N15 compound treatment 0.403 0.0159 0.5 0.409 0.0201 0.6 0.7747 0.9962 3178754 Maybridge4_002413 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)c3cccc(c3)C(F)(F)F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N16 compound treatment 0.389 0.00191 0.06 0.386 -0.00291 -0.09 -0.0185 -0.1764 1495489 Maybridge4_002414 Clc1ccc(OC(=O)c2cccnc2SCCS(=O)(=O)c3ccccc3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N17 compound treatment 0.346 -0.0411 -1.29 0.346 -0.0429 -1.27 -1.8127 -1.0 3178755 Maybridge4_002415 CSc1sc(C(=O)NN)c2CCC=Cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N18 compound treatment 0.392 0.00491 0.15 0.397 0.00809 0.24 0.2787 0.9772 3178756 Maybridge4_002416 CS(=O)(=NS(=O)(=O)c1cccs1)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N19 compound treatment 0.376 -0.0111 -0.35 0.378 -0.0109 -0.32 -0.4752 -0.9993 3064254 Maybridge4_002417 CS(=O)(=O)/C(=C/Nc1cnccn1)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N20 compound treatment 0.408 0.0209 0.66 0.411 0.0221 0.65 0.9278 1.0 1627111 Maybridge4_002418 O=C(SCc1cccs1)c2csc(n2)C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N21 compound treatment 0.392 0.00491 0.15 0.395 0.00609 0.18 0.2368 0.9969 3064255 Maybridge4_002419 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N22 compound treatment 0.396 0.00891 0.28 0.395 0.00609 0.18 0.3257 0.9775 3178757 Maybridge4_002420 Clc1ccc(cc1)c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N23 mock treatment 0.382 -0.00509 -0.16 0.37 -0.0189 -0.56 -0.5094 -0.8742 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 N24 mock treatment 0.393 0.00591 0.19 0.41 0.0211 0.63 0.5733 0.8792 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O01 compound treatment 0.606 0.219 6.88 0.412 0.0231 0.68 5.351 0.7736 1259648 Maybridge4_002421 COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C3(CC4CC5CC(C4)C3)C5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O02 compound treatment 0.362 -0.0251 -0.79 0.361 -0.0279 -0.83 -1.1426 -0.9997 3064256 Maybridge4_002422 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)c2ccccn2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O03 compound treatment 0.39 0.00291 0.09 0.395 0.00609 0.18 0.1923 0.9502 1743228 Maybridge4_002423 Cc1ccc(Nc2cc(O)nn2C)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O04 compound treatment 0.382 -0.00509 -0.16 0.389 9.38E-5 0.0 -0.1113 -0.6947 3064257 Maybridge4_002424 CCn1c(S)nc2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O05 compound treatment 0.416 0.0289 0.91 0.427 0.0381 1.13 1.4409 0.9942 3178758 Maybridge4_002425 Cc1c(C)c(C)c(CSc2ccccc2N)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O06 compound treatment 0.391 0.00391 0.12 0.394 0.00509 0.15 0.1936 0.9948 3064258 Maybridge4_002426 CS/C(=C(\C#N)/C(=O)C1CC1)/N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O07 compound treatment 0.392 0.00491 0.15 0.399 0.0101 0.3 0.3206 0.9526 1286597 Maybridge4_002427 O=S(=O)(CCN1CCSCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O08 compound treatment 0.384 -0.00309 -0.1 0.393 0.00409 0.12 0.017 0.1093 3064259 Maybridge4_002428 Clc1ccccc1C(=O)Nc2cscc2S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O09 compound treatment 0.404 0.0169 0.53 0.405 0.0161 0.48 0.7131 0.9985 3178759 Maybridge4_002429 O=S(=O)(CCSc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O10 compound treatment 0.399 0.0119 0.37 0.419 0.0301 0.89 0.8953 0.9257 1558086 Maybridge4_002430 COC(=O)C1=C(CSC1)Nc2ccc(F)cc2F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O11 compound treatment 0.411 0.0239 0.75 0.432 0.0431 1.28 1.4345 0.9681 3064260 Maybridge4_002431 Cc1cc(C)n2nc(cc2n1)c3ccc(cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O12 compound treatment 0.375 -0.0121 -0.38 0.382 -0.00691 -0.2 -0.4136 -0.9578 3178760 Maybridge4_002432 CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O13 compound treatment 0.379 -0.00809 -0.25 0.378 -0.0109 -0.32 -0.4085 -0.993 3064262 Maybridge4_002433 Clc1ccc(cc1)S(=O)(=O)/C(=C/N2CCCCC2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O14 compound treatment 0.401 0.0139 0.44 0.403 0.0141 0.42 0.6045 0.9997 3178761 Maybridge4_002434 Fc1ccc(NC(=O)c2cccnc2Sc3cccs3)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O15 compound treatment 0.435 0.0479 1.51 0.428 0.0391 1.16 1.8843 0.9916 3064263 Maybridge4_002435 Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(c1C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O16 compound treatment 0.436 0.0489 1.54 0.435 0.0461 1.37 2.0532 0.9983 3178762 Maybridge4_002436 CSc1scc(c1C#N)c2cc(Cl)cc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O17 compound treatment 0.474 0.0869 2.73 0.426 0.0371 1.1 2.7095 0.9199 3064280 Maybridge4_002437 O=C(C(=C1SCCCS1)C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O18 compound treatment 0.436 0.0489 1.54 0.446 0.0571 1.69 2.2836 0.9989 3064281 Maybridge4_002438 CN(/N=C(\C#N)/C(=O)C1CC1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O19 compound treatment 0.391 0.00391 0.12 0.397 0.00809 0.24 0.2564 0.9517 1358615 Maybridge4_002439 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O20 compound treatment 0.392 0.00491 0.15 0.396 0.00709 0.21 0.2577 0.9884 1379175 Maybridge4_002440 Cn1ccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O21 compound treatment 0.424 0.0369 1.16 0.429 0.0401 1.19 1.6606 0.9999 3064282 Maybridge4_002441 CSc1c(C#N)c(nn1CNC(=O)Nc2ccccc2C(F)(F)F)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O22 compound treatment 0.371 -0.0161 -0.51 0.37 -0.0189 -0.56 -0.754 -0.9987 3064283 Maybridge4_002442 CCOC(=O)c1sc(SCc2c(Cl)cccc2Cl)c(c1N)S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O23 mock treatment 0.395 0.00791 0.25 0.391 0.00209 0.06 0.2197 0.8573 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 O24 mock treatment 0.397 0.00991 0.31 0.408 0.0191 0.57 0.6203 0.9605 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P01 compound treatment 0.439 0.0519 1.63 0.437 0.0481 1.43 2.1618 0.9977 3064285 Maybridge4_002443 Nc1c(C#N)sc2sc(C#N)c(c3ccco3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P02 compound treatment 0.398 0.0109 0.34 0.408 0.0191 0.57 0.6426 0.9712 3064286 Maybridge4_002444 CC(C)(C)c1ncc(c(N)n1)S(=O)(=O)c2ccc(cn2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P03 compound treatment 0.423 0.0359 1.13 0.422 0.0331 0.98 1.4917 0.9975 3178763 Maybridge4_002445 CCOC(=O)c1sc(SC)c2C(=O)CC(Cc12)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P04 compound treatment 0.4 0.0129 0.41 0.411 0.0221 0.65 0.7499 0.9736 3178764 Maybridge4_002446 CCOC(=O)c1sc(Sc2ccc(cn2)C(F)(F)F)c3C(=O)CC(C)(C)Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P05 compound treatment 0.407 0.0199 0.63 0.412 0.0231 0.68 0.9265 0.999 1299033 Maybridge4_002447 CS(=O)(=O)c1sc(C(=O)O)c2CCC=Cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P06 compound treatment 0.404 0.0169 0.53 0.418 0.0291 0.86 0.9855 0.973 1436320 Maybridge4_002448 Cc1cc(C)n(n1)c2ncc(c(N)n2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P07 compound treatment 0.409 0.0219 0.69 0.41 0.0211 0.63 0.929 0.9988 3178765 Maybridge4_002449 CSc1scc2CCc3cn(nc3-c12)C(=O)c4cccc(c4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P08 compound treatment 0.403 0.0159 0.5 0.407 0.0181 0.54 0.7328 0.9994 3178766 Maybridge4_002450 CS(=O)(=NC(=O)NC(=O)c1ccc(Cl)cc1)c2ccc(cn2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P09 compound treatment 0.392 0.00491 0.15 0.405 0.0161 0.48 0.4463 0.8904 3064288 Maybridge4_002451 O=S(=O)(N1CCCCC1)c2ccc(s2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P10 compound treatment 0.379 -0.00809 -0.25 0.41 0.0211 0.63 0.262 0.3882 3064289 Maybridge4_002452 COC(=O)c1cnc(S)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P11 compound treatment 0.406 0.0189 0.59 0.437 0.0481 1.43 1.4281 0.9248 3178767 Maybridge4_002453 FC(F)(F)c1cc(NC(=S)NC(=O)Oc2ccccc2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P12 compound treatment 0.408 0.0209 0.66 0.407 0.0181 0.54 0.8439 0.9949 3064290 Maybridge4_002454 Cc1ccc(SCC(=O)c2ccc(CC(=O)O)s2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P13 compound treatment 0.384 -0.00309 -0.1 0.383 -0.00591 -0.18 -0.1925 -0.9616 3178768 Maybridge4_002455 CS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P14 compound treatment 0.426 0.0389 1.22 0.436 0.0471 1.4 1.8518 0.9978 3064291 Maybridge4_002456 CN(C)/C=C/C(=O)c1ccc2OCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P15 compound treatment 0.439 0.0519 1.63 0.435 0.0461 1.37 2.1199 0.9961 3178769 Maybridge4_002457 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCc4c(Cl)cccc4Cl)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P16 compound treatment 0.394 0.00691 0.22 0.416 0.0271 0.8 0.7212 0.8672 3064292 Maybridge4_002458 CS(=O)(=O)CCSc1ncccc1C(=O)NCc2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P17 compound treatment 0.416 0.0289 0.91 0.422 0.0331 0.98 1.3361 0.9993 1476633 Maybridge4_002459 CCOC(=O)c1sc(N2CCCCC2)c3C(=O)CC(C)(C)Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P18 compound treatment 0.405 0.0179 0.56 0.413 0.0241 0.71 0.903 0.9931 3064293 Maybridge4_002460 OC(=O)C1Cc2ccccc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P19 compound treatment 0.389 0.00191 0.06 0.41 0.0211 0.63 0.4844 0.7714 3178770 Maybridge4_002461 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/Nc2cnccn2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P20 compound treatment 0.403 0.0159 0.5 0.401 0.0121 0.36 0.6071 0.9866 1356891 Maybridge4_002462 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3ccc(Cl)cc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P21 compound treatment 0.392 0.00491 0.15 0.38 -0.00891 -0.26 -0.0775 -0.2536 3064294 Maybridge4_002463 Clc1ccc(Sc2ccc(s2)c3ccccn3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P22 compound treatment 0.4 0.0129 0.41 0.416 0.0271 0.8 0.8546 0.9501 1623679 Maybridge4_002464 Cc1ccc(NC(=O)c2ccc3OCCc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P23 mock treatment 0.401 0.0139 0.44 0.404 0.0151 0.45 0.6254 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2055 P24 mock treatment 0.429 0.0419 1.32 0.422 0.0331 0.98 1.6251 0.9894 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A01 compound treatment 0.43 0.0508 1.6 0.436 0.0563 1.67 2.3094 0.9998 3178771 Maybridge4_002465 FC(F)(F)c1ccc(NC(=O)c2ccc3OCCc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A02 compound treatment 0.397 0.0178 0.56 0.404 0.0243 0.72 0.9052 0.9922 3178772 Maybridge4_002466 COc1cc(nc2ccc(C)c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A03 compound treatment 0.384 0.0048 0.15 0.387 0.00731 0.22 0.2599 0.9844 1345781 Maybridge4_002467 O=C1N(CC2COc3ccccc3O2)C(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A04 compound treatment 0.368 -0.0112 -0.35 0.359 -0.0207 -0.61 -0.6825 -0.9654 1377469 Maybridge4_002468 CN(C)CC#Cc1cncc(c1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A05 compound treatment 0.389 0.0098 0.31 0.405 0.0253 0.75 0.7483 0.9228 1734397 Maybridge4_002469 Brc1cc2CCOc2c(c1)C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A06 compound treatment 0.373 -0.0062 -0.19 0.38 3.12E-4 0.01 -0.1313 -0.6728 3178773 Maybridge4_002470 FC(F)(F)c1ccc2cc(CSc3ccc(Cl)cc3)ccc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A07 compound treatment 0.407 0.0278 0.87 0.403 0.0233 0.69 1.1066 0.9932 3064295 Maybridge4_002471 COc1ccc(OC(=O)c2csc(COc3ccc4nonc4c3)n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A08 compound treatment 0.402 0.0228 0.72 0.396 0.0163 0.48 0.8487 0.9816 1124957 Maybridge4_002472 Fc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)n3cccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A09 compound treatment 0.408 0.0288 0.91 0.445 0.0653 1.94 2.0088 0.9401 3064326 Maybridge4_002473 Cc1nn(Cc2ccc(o2)C(=O)Sc3ccc(cn3)C(F)(F)F)c(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A10 compound treatment 0.39 0.0108 0.34 0.392 0.0123 0.36 0.4981 0.9994 1618157 Maybridge4_002474 CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A11 compound treatment 0.406 0.0268 0.84 0.416 0.0363 1.08 1.3567 0.9927 1711585 Maybridge4_002475 CCOC(=O)NC(=O)c1cn(Cc2cccs2)c(=O)n(C)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A12 compound treatment 0.4 0.0208 0.65 0.404 0.0243 0.72 0.9719 0.9988 3064327 Maybridge4_002476 FC(F)(F)c1cc(N2CCN(CC2)C(=O)c3cccs3)c4ccccc4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A13 compound treatment 0.4 0.0208 0.65 0.429 0.0493 1.46 1.4957 0.9343 3064329 Maybridge4_002477 Cc1ccc(cc1)S(=O)(=O)NCCSc2cc(nc3ccccc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A14 compound treatment 0.405 0.0258 0.81 0.426 0.0463 1.37 1.544 0.9685 3064330 Maybridge4_002478 Clc1ccc(NC(=O)OCC#Cc2ccc(C#N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A15 compound treatment 0.42 0.0408 1.28 0.419 0.0393 1.16 1.7308 0.9988 3064331 Maybridge4_002479 COC(=O)c1scc2c(SCc3ccccc3)cc(nc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A16 compound treatment 0.358 -0.0212 -0.67 0.911 0.531 15.74 10.6611 0.6766 3178850 Maybridge4_002480 CCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A17 compound treatment 0.39 0.0108 0.34 0.394 0.0143 0.42 0.54 0.9939 1220133 Maybridge4_002481 COC(=O)c1sccc1n2cc(C#N)c(=O)n(C)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A18 compound treatment 0.382 0.0028 0.09 0.375 -0.00469 -0.14 -0.036 -0.2187 1288518 Maybridge4_002482 O=c1[nH]nc(CSc2ccccn2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A19 compound treatment 0.39 0.0108 0.34 0.403 0.0233 0.69 0.7286 0.9465 1196923 Maybridge4_002483 Cn1c(=O)c(cn(c2ccccc2)c1=O)C(=S)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A20 compound treatment 0.331 -0.0482 -1.52 0.38 3.12E-4 0.01 -1.0651 -0.7028 3178851 Maybridge4_002484 COc1ccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A21 compound treatment 0.366 -0.0132 -0.42 0.4 0.0203 0.6 0.1321 0.1807 1562266 Maybridge4_002485 Clc1ccccc1C(=O)CSC2=NCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A22 compound treatment 0.375 -0.0042 -0.13 0.374 -0.00569 -0.17 -0.2126 -0.9927 3064332 Maybridge4_002486 FC(F)(F)c1cc(Oc2ccc(Cl)cc2)c3cc(Cl)ccc3n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A23 mock treatment 0.304 -0.0752 -2.36 0.373 -0.00669 -0.2 -1.8121 -0.7637 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 A24 mock treatment 0.375 -0.0042 -0.13 0.371 -0.00869 -0.26 -0.2754 -0.9519 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B01 compound treatment 0.431 0.0518 1.63 0.437 0.0573 1.7 2.3526 0.9998 1234192 Maybridge4_002487 Cc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B02 compound treatment 0.393 0.0138 0.43 0.411 0.0313 0.93 0.9629 0.9401 3064333 Maybridge4_002488 COC(=O)c1cc2cc(Br)ccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B03 compound treatment 0.357 -0.0222 -0.7 0.382 0.00231 0.07 -0.4451 -0.6346 1523364 Maybridge4_002489 Cc1ccccc1NC(=O)NCCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B04 compound treatment 0.379 -2.0E-4 -0.01 0.382 0.00231 0.07 0.044 0.6395 3064334 Maybridge4_002490 Cc1c(sc2ccc(Cl)cc12)C(=O)COC(=O)c3ccccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B05 compound treatment 0.367 -0.0122 -0.38 0.382 0.00231 0.07 -0.2228 -0.5717 3178852 Maybridge4_002491 Cc1cccc(C)c1NC(=O)N(Cc2ccccc2)C(=O)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B06 compound treatment 0.363 -0.0162 -0.51 0.365 -0.0147 -0.44 -0.6679 -0.9969 3064335 Maybridge4_002492 Cc1c(sc2ccccc12)c3ccnn3C(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B07 compound treatment 0.371 -0.0082 -0.26 0.378 -0.00169 -0.05 -0.2177 -0.8288 1235231 Maybridge4_002493 COC(=O)c1ccc(CN(C(=O)C)C(=O)Nc2ccc(cc2C)C(=O)OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B08 compound treatment 0.383 0.0038 0.12 0.389 0.00931 0.28 0.2796 0.9299 3178853 Maybridge4_002494 Clc1ccccc1NC(=S)N2CCOC2c3c[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B09 compound treatment 0.369 -0.0102 -0.32 0.382 0.00231 0.07 -0.1783 -0.5438 3064336 Maybridge4_002495 C=CCn1c(SCc2ccccc2)nnc1c3ccc4ncccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B10 compound treatment 0.421 0.0418 1.31 0.424 0.0443 1.31 1.8578 1.0 3064337 Maybridge4_002496 O=C(CCSc1ccccc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B11 compound treatment 0.369 -0.0102 -0.32 0.378 -0.00169 -0.05 -0.2621 -0.8076 3178854 Maybridge4_002497 CC(C)n1c(nc2cc(ccc12)C(=O)Nc3ccc(Cl)cc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B12 compound treatment 0.368 -0.0112 -0.35 0.376 -0.00369 -0.11 -0.3263 -0.8849 1241391 Maybridge4_002498 Clc1cccc(NC(=O)OC2CCCCc3cccnc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B13 compound treatment 0.379 -2.0E-4 -0.01 0.388 0.00831 0.25 0.1697 0.6888 1376937 Maybridge4_002499 CCc1ccc2[nH]c(cc2c1)C(=O)NCCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B14 compound treatment 0.366 -0.0132 -0.42 0.373 -0.00669 -0.2 -0.4336 -0.9428 3178855 Maybridge4_002500 FC(F)(F)COc1ccc(Sc2ncccn2)c(OCC(F)(F)F)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B15 compound treatment 0.376 -0.0032 -0.1 0.371 -0.00869 -0.26 -0.2532 -0.916 1581778 Maybridge4_002501 Clc1ccc(cc1)c2ccc(s2)C(=O)NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B16 compound treatment 0.398 0.0188 0.59 0.403 0.0233 0.69 0.9065 0.997 1626834 Maybridge4_002502 C(N1CCC(=N1)c2ccco2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B17 compound treatment 0.38 8.0E-4 0.03 0.382 0.00231 0.07 0.0662 0.9075 3064338 Maybridge4_002503 O=C(NC(=S)NCc1ccccc1)/C=C/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B18 compound treatment 0.387 0.0078 0.25 0.388 0.00831 0.25 0.3476 1.0 3178856 Maybridge4_002504 OCCn1nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B19 compound treatment 0.368 -0.0112 -0.35 0.387 0.00731 0.22 -0.0958 -0.2317 1406037 Maybridge4_002505 COc1ccc(cc1)c2csc(n2)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B20 compound treatment 0.354 -0.0252 -0.79 0.372 -0.00769 -0.23 -0.7214 -0.8749 1528457 Maybridge4_002506 COc1ccc(cc1)c2nn(CCC#N)c(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B21 compound treatment 0.378 -0.0012 -0.04 0.379 -6.88E-4 -0.02 -0.0411 -0.9581 3064339 Maybridge4_002507 Cc1ccc(CC(=O)c2cccnc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B22 compound treatment 0.373 -0.0062 -0.19 0.388 0.00831 0.25 0.0363 0.1156 3178857 Maybridge4_002508 CCOC(=O)NC(=S)N1C(C)CCCC1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B23 mock treatment 0.434 0.0548 1.72 0.381 0.00131 0.04 1.2459 0.7229 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 B24 mock treatment 0.358 -0.0212 -0.67 0.396 0.0163 0.48 -0.1296 -0.1574 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C01 compound treatment 0.389 0.0098 0.31 0.39 0.0103 0.31 0.434 1.0 3178858 Maybridge4_002509 Cn1c(S)nnc1C2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C02 compound treatment 0.389 0.0098 0.31 0.389 0.00931 0.28 0.413 0.9985 3064341 Maybridge4_002510 CCOC(=O)c1cncc(C#CCOC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C03 compound treatment 0.349 -0.0302 -0.95 0.375 -0.00469 -0.14 -0.7697 -0.802 1514783 Maybridge4_002511 Clc1ccc(cc1)C(=O)NCC2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C04 compound treatment 0.378 -0.0012 -0.04 0.378 -0.00169 -0.05 -0.062 -0.9904 3064342 Maybridge4_002512 CSc1nn(cc1c2nc(cs2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C05 compound treatment 0.369 -0.0102 -0.32 0.375 -0.00469 -0.14 -0.325 -0.9299 3064366 Maybridge4_002513 COc1cccn(CC(=O)NN)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C06 compound treatment 0.344 -0.0352 -1.11 0.352 -0.0277 -0.82 -1.3628 -0.9891 3064367 Maybridge4_002514 Clc1ccc(Cl)c(c1)S(=O)(=O)n2ccc(n2)c3ccc(Br)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C07 compound treatment 0.398 0.0188 0.59 0.407 0.0273 0.81 0.9903 0.9881 1600605 Maybridge4_002515 Clc1ccc(NC(=O)c2csc(COc3ccc4nonc4c3)n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C08 compound treatment 0.376 -0.0032 -0.1 0.379 -6.88E-4 -0.02 -0.0856 -0.8334 1505462 Maybridge4_002516 Cc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)n3cccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C09 compound treatment 0.333 -0.0462 -1.45 0.346 -0.0337 -1.0 -1.7331 -0.9832 3064368 Maybridge4_002517 CSc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C10 compound treatment 0.365 -0.0142 -0.45 0.387 0.00731 0.22 -0.1625 -0.3274 3064369 Maybridge4_002518 CCOC(=O)c1c(SC)nc2c(cccc2c1N3CCCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C11 compound treatment 0.365 -0.0142 -0.45 0.388 0.00831 0.25 -0.1416 -0.2776 3064371 Maybridge4_002519 Cn1c(S)nnc1CSc2cc(nc3ccccc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C12 compound treatment 0.387 0.0078 0.25 0.379 -6.88E-4 -0.02 0.159 0.6461 3064373 Maybridge4_002520 FC(F)(F)c1cccc(c1)N2C(=O)C3SCCN3C2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C13 compound treatment 0.385 0.0058 0.18 0.397 0.0173 0.51 0.4917 0.9031 3178859 Maybridge4_002521 O=C(Nc1ccccc1)OCC#Cc2ccc(s2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C14 compound treatment 0.391 0.0118 0.37 0.397 0.0173 0.51 0.6251 0.9874 3064374 Maybridge4_002522 FC(F)(F)Oc1ccc(NC(=O)OCC#Cc2ccc(C#N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C15 compound treatment 0.377 -0.0022 -0.07 0.385 0.00531 0.16 0.0624 0.3629 1566879 Maybridge4_002523 CCOC(=O)Cn1c(=O)c(cn(C(C)C)c1=O)c2nc(cs2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C16 compound treatment 0.402 0.0228 0.72 0.407 0.0273 0.81 1.0792 0.9982 1528772 Maybridge4_002524 Cc1ccc(OC(=O)c2c(nnc3ccccc23)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C17 compound treatment 0.367 -0.0122 -0.38 0.373 -0.00669 -0.2 -0.4114 -0.9528 1617239 Maybridge4_002525 Clc1ccc(Cn2ccnc2COC(=O)Nc3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C18 compound treatment 0.373 -0.0062 -0.19 0.369 -0.0107 -0.32 -0.3618 -0.9728 1164357 Maybridge4_002526 COC(=O)CSCc1n[nH]c(=O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C19 compound treatment 0.365 -0.0142 -0.45 0.377 -0.00269 -0.08 -0.372 -0.8203 3178860 Maybridge4_002527 Cn1c(=O)c(cn(c2ccccc2)c1=O)/C(=N/O)/N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C20 compound treatment 0.389 0.0098 0.31 0.356 -0.0237 -0.7 -0.2784 -0.3632 3178861 Maybridge4_002528 Fc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C21 compound treatment 0.356 -0.0232 -0.73 0.37 -0.00969 -0.29 -0.7188 -0.9169 1734152 Maybridge4_002529 CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(Cl)cc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C22 compound treatment 0.37 -0.0092 -0.29 0.374 -0.00569 -0.17 -0.3237 -0.9669 1710452 Maybridge4_002530 COc1ccc(NC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1OC4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C23 mock treatment 0.368 -0.0112 -0.35 0.373 -0.00669 -0.2 -0.3891 -0.963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 C24 mock treatment 0.412 0.0328 1.03 0.382 0.00231 0.07 0.7777 0.7524 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D01 compound treatment 0.388 0.0088 0.28 0.4 0.0203 0.6 0.6213 0.9378 3064376 Maybridge4_002531 Cc1ccccc1NC(=O)N(Cc2cccs2)C(=O)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D02 compound treatment 0.334 -0.0452 -1.42 0.341 -0.0387 -1.15 -1.8156 -0.9943 3178862 Maybridge4_002532 Cc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D03 compound treatment 0.396 0.0168 0.53 0.4 0.0203 0.6 0.7991 0.9979 3064377 Maybridge4_002533 FC(F)(F)c1cccc(NC(=S)Nc2cc(n[nH]2)c3cccs3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D04 compound treatment 0.36 -0.0192 -0.6 0.382 0.00231 0.07 -0.3784 -0.6228 3178863 Maybridge4_002534 Cc1nc(cs1)c2sc3ccc(Cl)cc3c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D05 compound treatment 0.367 -0.0122 -0.38 0.388 0.00831 0.25 -0.0971 -0.213 1387292 Maybridge4_002535 CCCOc1cc(ccc1OC)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D06 compound treatment 0.365 -0.0142 -0.45 0.381 0.00131 0.04 -0.2882 -0.6431 3064378 Maybridge4_002536 Cc1c(sc2ccccc12)c3ccnn3C(=O)c4ccc(cc4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D07 compound treatment 0.37 -0.0092 -0.29 0.366 -0.0137 -0.41 -0.4913 -0.9863 1130276 Maybridge4_002537 CSc1ccccc1CNC(=O)NC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D08 compound treatment 0.395 0.0158 0.5 0.404 0.0243 0.72 0.8607 0.9835 3064379 Maybridge4_002538 FC(F)(F)c1ccc(CSc2nccc(n2)c3cccnc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D09 compound treatment 0.363 -0.0162 -0.51 0.362 -0.0177 -0.52 -0.7308 -0.9999 3178864 Maybridge4_002539 CCOC(=O)CSc1nnc(c2ccc3ncccc3c2)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D10 compound treatment 0.361 -0.0182 -0.57 0.364 -0.0157 -0.46 -0.7334 -0.9947 3178865 Maybridge4_002540 Cc1c(sc2ccccc12)C(=S)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D11 compound treatment 0.363 -0.0162 -0.51 0.363 -0.0167 -0.49 -0.7098 -0.9999 3064380 Maybridge4_002541 CC(C)n1c(nc2cc(ccc12)C(=O)N3CCOCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D12 compound treatment 0.378 -0.0012 -0.04 0.389 0.00931 0.28 0.1684 0.6048 1150832 Maybridge4_002542 Nc1nccc(n1)c2ccc(NC(=O)Nc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D13 compound treatment 0.359 -0.0202 -0.64 0.363 -0.0167 -0.49 -0.7988 -0.9923 3064381 Maybridge4_002543 CCc1ccc2[nH]c(cc2c1)C(=O)Nc3ccc(c(C#N)c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D14 compound treatment 0.357 -0.0222 -0.7 0.372 -0.00769 -0.23 -0.6547 -0.8916 3178947 Maybridge4_002544 FC(F)(F)COc1ccc(SCc2ccccc2)c(OCC(F)(F)F)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D15 compound treatment 0.35 -0.0292 -0.92 0.37 -0.00969 -0.29 -0.8522 -0.8859 1264919 Maybridge4_002545 CC(C)(C)c1ccc(s1)C(=O)OCc2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D16 compound treatment 0.4 0.0208 0.65 0.386 0.00631 0.19 0.5947 0.8743 3064382 Maybridge4_002546 CN1CCC(=N1)/C=C/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D17 compound treatment 0.371 -0.0082 -0.26 0.373 -0.00669 -0.2 -0.3224 -0.9915 3178948 Maybridge4_002547 O=C(NC(=S)N1CCCCC1)/C=C/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D18 compound treatment 0.363 -0.0162 -0.51 0.367 -0.0127 -0.38 -0.626 -0.9888 3064383 Maybridge4_002548 Cn1nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D19 compound treatment 0.347 -0.0322 -1.01 0.361 -0.0187 -0.55 -1.1075 -0.9597 1464348 Maybridge4_002549 COc1ccc(cc1)C(=O)CSC2=NCCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D20 compound treatment 0.356 -0.0232 -0.73 0.359 -0.0207 -0.61 -0.9493 -0.9963 3064384 Maybridge4_002550 CC(C)(C)C(=O)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D21 compound treatment 0.336 -0.0432 -1.36 0.334 -0.0457 -1.35 -1.9178 -1.0 3178949 Maybridge4_002551 O=C(Cc1cccc(Oc2ccccc2)c1)c3cccc(C#N)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D22 compound treatment 0.36 -0.0192 -0.6 0.366 -0.0137 -0.41 -0.7137 -0.9813 3064385 Maybridge4_002552 CC1CCCC(C)N1c2nn(C)c(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D23 mock treatment 0.361 -0.0182 -0.57 0.366 -0.0137 -0.41 -0.6914 -0.9858 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 D24 mock treatment 0.384 0.0048 0.15 0.383 0.00331 0.1 0.1761 0.9783 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E01 compound treatment 0.376 -0.0032 -0.1 0.383 0.00331 0.1 -0.0017 -0.0124 3064421 Maybridge4_002553 Cn1c(SCc2ccc(F)cc2)nnc1C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E02 compound treatment 0.382 0.0028 0.09 0.396 0.0163 0.48 0.404 0.8224 3064422 Maybridge4_002554 CCOC(=O)c1cncc(C#CCOC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E03 compound treatment 0.407 0.0278 0.87 0.393 0.0133 0.39 0.897 0.9354 1569623 Maybridge4_002555 Clc1ccc(NC(=O)NCC2COc3ccccc3O2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E04 compound treatment 0.354 -0.0252 -0.79 0.378 -0.00169 -0.05 -0.5957 -0.7502 3064423 Maybridge4_002556 C/S(=N\S(=O)(=O)c1cccc2nsnc12)/c3ncc(Cl)cc3C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E05 compound treatment 0.362 -0.0172 -0.54 0.365 -0.0147 -0.44 -0.6902 -0.9942 1912560 Maybridge4_002557 CNC(=O)N(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E06 compound treatment 0.363 -0.0162 -0.51 0.358 -0.0217 -0.64 -0.8146 -0.9934 1719037 Maybridge4_002558 Clc1ccc(cc1)C(=O)OCc2sccc2Oc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E07 compound treatment 0.376 -0.0032 -0.1 0.383 0.00331 0.1 -0.0017 -0.0124 3064424 Maybridge4_002559 Clc1ccc(SC(=O)c2csc(n2)c3ccc4nonc4c3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E08 compound treatment 0.386 0.0068 0.21 0.386 0.00631 0.19 0.2835 0.9978 1379034 Maybridge4_002560 Cc1ccc(SC(=O)c2ccc(C#Cc3ccccc3)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E09 compound treatment 0.372 -0.0072 -0.23 0.39 0.0103 0.31 0.056 0.1472 3178950 Maybridge4_002561 O=C1CC2Sc3ccccc3N=C2N1Cc4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E10 compound treatment 0.354 -0.0252 -0.79 0.363 -0.0167 -0.49 -0.9099 -0.9742 3064426 Maybridge4_002562 CCOC(=O)c1c(Oc2ccc(OC)cc2)c3cccc(c3nc1SC)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E11 compound treatment 0.363 -0.0162 -0.51 0.373 -0.00669 -0.2 -0.5003 -0.9154 3178951 Maybridge4_002563 Cn1cc(/C(=N/O)/N)c(=O)n(Cc2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E12 compound treatment 0.394 0.0148 0.47 0.396 0.0163 0.48 0.6709 0.9998 3178952 Maybridge4_002564 COC(=O)C(Cc1csc2ccc(Cl)cc12)NC(=O)c3ccc(cc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E13 compound treatment 0.375 -0.0042 -0.13 0.38 3.12E-4 0.01 -0.0868 -0.6559 1645379 Maybridge4_002565 CC(C)n1cc(c2nc(C)cs2)c(=O)n(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E14 compound treatment 0.367 -0.0122 -0.38 0.363 -0.0167 -0.49 -0.6209 -0.9921 3064427 Maybridge4_002566 O=C(OCC#Cc1ccc(C#N)cc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E15 compound treatment 0.365 -0.0142 -0.45 0.37 -0.00969 -0.29 -0.5187 -0.9772 3178953 Maybridge4_002567 COC(=O)c1scc2c(Oc3ccccc3C(F)(F)F)cc(nc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E16 compound treatment 0.381 0.0018 0.06 0.398 0.0183 0.54 0.4237 0.7766 3178954 Maybridge4_002568 CC(C)(C)c1cc2nc(cc(N3CCN(CC3)c4ccc(cn4)C(F)(F)F)n2n1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E17 compound treatment 0.35 -0.0292 -0.92 0.368 -0.0117 -0.35 -0.8941 -0.9112 3064428 Maybridge4_002569 Cc1ccc(SCc2nccn2Cc3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E18 compound treatment 0.366 -0.0132 -0.42 0.388 0.00831 0.25 -0.1193 -0.2472 3178955 Maybridge4_002570 Cn1c(Cc2nc(no2)c3cnccn3)nnc1SCc4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E19 compound treatment 0.374 -0.0052 -0.16 0.387 0.00731 0.22 0.0376 0.1385 1530658 Maybridge4_002571 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N=S(=O)(C)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E20 compound treatment 0.358 -0.0212 -0.67 0.364 -0.0157 -0.46 -0.8001 -0.9845 1174825 Maybridge4_002572 Cn1c(S)nnc1CCN(Cc2ccco2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E21 compound treatment 0.428 0.0488 1.53 0.414 0.0343 1.02 1.804 0.98 1683285 Maybridge4_002573 COc1ccc(cc1)C(=O)CSC2=NCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E22 compound treatment 0.392 0.0128 0.4 0.367 -0.0127 -0.38 0.0188 0.0341 1586313 Maybridge4_002574 COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1OC3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E23 mock treatment 0.365 -0.0142 -0.45 0.366 -0.0137 -0.41 -0.6025 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 E24 mock treatment 0.387 0.0078 0.25 0.374 -0.00569 -0.17 0.0543 0.1823 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F01 compound treatment 0.394 0.0148 0.47 0.422 0.0423 1.25 1.2156 0.909 1006297 Maybridge4_002575 Clc1ccc(CCc2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F02 compound treatment 0.389 0.0098 0.31 0.399 0.0193 0.57 0.6225 0.9578 3178956 Maybridge4_002576 Clc1ccccc1C(=O)NC(=O)Nc2ccc3C=CS(=O)(=O)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F03 compound treatment 0.378 -0.0012 -0.04 0.362 -0.0177 -0.52 -0.3973 -0.7561 1320469 Maybridge4_002577 O=C(Cc1ccc(CC(=O)c2ccccc2)cc1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F04 compound treatment 0.406 0.0268 0.84 0.409 0.0293 0.87 1.21 0.9999 1267104 Maybridge4_002578 Cc1c(CC(=O)Nc2ccc(Cl)cc2)sc3ccc(Cl)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F05 compound treatment 0.366 -0.0132 -0.42 0.384 0.00431 0.13 -0.2031 -0.4677 3064429 Maybridge4_002579 CCCn1c(=O)ccn(c2ccccc2C)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F06 compound treatment 0.356 -0.0232 -0.73 0.389 0.00931 0.28 -0.3207 -0.4112 1449737 Maybridge4_002580 O=C(CSC1=NCCc2ccccc12)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F07 compound treatment 0.375 -0.0042 -0.13 0.372 -0.00769 -0.23 -0.2545 -0.9664 3064430 Maybridge4_002581 O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F08 compound treatment 0.37 -0.0092 -0.29 0.388 0.00831 0.25 -0.0304 -0.08 1291828 Maybridge4_002582 Cc1c(sc2ccc(Cl)cc12)c3cc(NC(=O)c4ccccc4)[nH]n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F09 compound treatment 0.371 -0.0082 -0.26 0.395 0.0153 0.45 0.1385 0.2654 3064431 Maybridge4_002583 CC(=O)OC1CCN(CC1)c2cc(nc3cc(Cl)cc(Cl)c23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F10 compound treatment 0.377 -0.0022 -0.07 0.386 0.00631 0.19 0.0833 0.4179 3178957 Maybridge4_002584 CNC(=S)c1sc2ccccc2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F11 compound treatment 0.361 -0.0182 -0.57 0.371 -0.00869 -0.26 -0.5867 -0.9349 1269577 Maybridge4_002585 O=C(NCc1ccc(s1)S(=O)(=O)NCc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F12 compound treatment 0.376 -0.0032 -0.1 0.376 -0.00369 -0.11 -0.1484 -0.9992 3064432 Maybridge4_002586 FC(F)(F)COc1ccc(c(OCC(F)(F)F)c1C#N)S(=O)(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F13 compound treatment 0.411 0.0318 1.0 0.407 0.0273 0.81 1.2793 0.9945 1508849 Maybridge4_002587 CCC(C)c1ccccc1NC(=O)c2cc3cc(CC)ccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F14 compound treatment 0.369 -0.0102 -0.32 0.395 0.0153 0.45 0.0941 0.1693 3064434 Maybridge4_002588 FC(F)(F)COc1ccc(SCC=C)c(OCC(F)(F)F)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F15 compound treatment 0.399 0.0198 0.62 0.408 0.0283 0.84 1.0335 0.9892 1212532 Maybridge4_002589 Cc1cccc(NC(=O)NC(=O)c2ccc(s2)C(C)(C)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F16 compound treatment 0.399 0.0198 0.62 0.417 0.0373 1.11 1.222 0.9631 3064435 Maybridge4_002590 C(N1CCC(=N1)/C=C/c2ccco2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F17 compound treatment 0.367 -0.0122 -0.38 0.387 0.00731 0.22 -0.118 -0.2679 1289651 Maybridge4_002591 CC(C)N(C(C)C)C(=O)NC(=O)c1ccc(F)cc1F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F18 compound treatment 0.343 -0.0362 -1.14 0.349 -0.0307 -0.91 -1.4479 -0.9938 3064458 Maybridge4_002592 NN/C(=N\S(=O)(=O)c1ccccc1)/Nc2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F19 compound treatment 0.36 -0.0192 -0.6 0.377 -0.00269 -0.08 -0.4832 -0.7935 3064459 Maybridge4_002593 FC(F)(F)c1cccc(c1)n2c(n[nH]c2=S)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F20 compound treatment 0.36 -0.0192 -0.6 0.352 -0.0277 -0.82 -1.007 -0.9886 3064460 Maybridge4_002594 NNC(=S)c1cc(Cl)cc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F21 compound treatment 0.354 -0.0252 -0.79 0.356 -0.0237 -0.7 -1.0566 -0.9982 3064461 Maybridge4_002595 NC(=O)c1ccc(CC(=O)c2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F22 compound treatment 0.357 -0.0222 -0.7 0.373 -0.00669 -0.2 -0.6337 -0.8733 3064462 Maybridge4_002596 C1CN=C(S1)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F23 mock treatment 0.365 -0.0142 -0.45 0.359 -0.0207 -0.61 -0.7492 -0.9879 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 F24 mock treatment 0.382 0.0028 0.09 0.404 0.0243 0.72 0.5717 0.7877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G01 compound treatment 0.385 0.0058 0.18 0.401 0.0213 0.63 0.5755 0.8755 3064463 Maybridge4_002597 Cn1c(SCC(=O)c2ccccc2)nnc1C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G02 compound treatment 0.375 -0.0042 -0.13 0.386 0.00631 0.19 0.0389 0.1698 3064464 Maybridge4_002598 COc1cc(nc2ccc(C)c(NC(=O)c3ccc(Cl)cc3)c12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G03 compound treatment 0.387 0.0078 0.25 0.388 0.00831 0.25 0.3476 1.0 1291018 Maybridge4_002599 Cc1ccc(NC(=S)NCC2COc3ccccc3O2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G04 compound treatment 0.378 -0.0012 -0.04 0.384 0.00431 0.13 0.0637 0.4779 3064465 Maybridge4_002600 Cc1c(noc1C(=O)CN=S(=O)(C)c2ccc(cn2)C(F)(F)F)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G05 compound treatment 0.369 -0.0102 -0.32 0.381 0.00131 0.04 -0.1993 -0.6168 3178958 Maybridge4_002601 COc1cccn(Cc2nnc(S)n2C)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G06 compound treatment 0.365 -0.0142 -0.45 0.383 0.00331 0.1 -0.2463 -0.5388 1395477 Maybridge4_002602 Clc1ccccc1C(=O)N2CCC(CC2)n3cccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G07 compound treatment 0.379 -2.0E-4 -0.01 0.382 0.00231 0.07 0.044 0.6395 3064466 Maybridge4_002603 Clc1ccc(cc1)C(=O)CSc2nc3CSCc3c(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G08 compound treatment 0.356 -0.0232 -0.73 0.368 -0.0117 -0.35 -0.7607 -0.942 1133834 Maybridge4_002604 O=c1[nH]c(=O)n(nc1C#N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G09 compound treatment 0.39 0.0108 0.34 0.384 0.00431 0.13 0.3305 0.9108 3064468 Maybridge4_002605 CCOC(=O)c1nnc2c(Br)c(C)nn2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G10 compound treatment 0.391 0.0118 0.37 0.397 0.0173 0.51 0.6251 0.9874 3178959 Maybridge4_002606 CSc1nn(cc1C(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G11 compound treatment 0.4 0.0208 0.65 0.393 0.0133 0.39 0.7414 0.9707 1533729 Maybridge4_002607 CC(C)n1cc(c2noc(n2)c3ccccc3Cl)c(=O)n(Cc4ccccc4)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G12 compound treatment 0.394 0.0148 0.47 0.407 0.0273 0.81 0.9013 0.9655 1333749 Maybridge4_002608 CSc1nc2c(Cl)cccc2c3n(C)n(Cc4ccc(Cl)cc4)c(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G13 compound treatment 0.363 -0.0162 -0.51 0.398 0.0183 0.54 0.0235 0.0316 1217547 Maybridge4_002609 CC(C)n1cc(c2nc(cs2)C(C)(C)C)c(=O)n(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G14 compound treatment 0.373 -0.0062 -0.19 0.383 0.00331 0.1 -0.0684 -0.3136 1707847 Maybridge4_002610 CCCn1c(=O)cc(N)n(c2ccc(Cl)cc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G15 compound treatment 0.376 -0.0032 -0.1 0.394 0.0143 0.42 0.2287 0.5248 1123385 Maybridge4_002611 CCOC(=O)c1cn(Cc2cccc(Cl)c2)c3cc(C)nn3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G16 compound treatment 0.37 -0.0092 -0.29 0.384 0.00431 0.13 -0.1142 -0.3611 3064470 Maybridge4_002612 CCCn1c(=O)cc(N)n(c2ccc(OC(F)(F)F)cc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G17 compound treatment 0.372 -0.0072 -0.23 0.375 -0.00469 -0.14 -0.2583 -0.9725 3178960 Maybridge4_002613 CC(C)(C)c1cc2nc(cc(Sc3ccccc3)n2n1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G18 compound treatment 0.363 -0.0162 -0.51 0.374 -0.00569 -0.17 -0.4794 -0.8934 3064471 Maybridge4_002614 Cn1c(Cc2nc(no2)c3cnccn3)nnc1SCC(=O)Nc4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G19 compound treatment 0.361 -0.0182 -0.57 0.384 0.00431 0.13 -0.3143 -0.536 1167659 Maybridge4_002615 Cn1c(=O)c(cn(c2ccccc2)c1=O)c3noc(n3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G20 compound treatment 0.373 -0.0062 -0.19 0.4 0.0203 0.6 0.2878 0.4548 1420377 Maybridge4_002616 Clc1ccc(NC(=O)CCN(Cc2ccco2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G21 compound treatment 0.393 0.0138 0.43 0.415 0.0353 1.05 1.0467 0.924 3064472 Maybridge4_002617 FC(F)(F)Oc1ccc(NC(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G22 compound treatment 0.35 -0.0292 -0.92 0.373 -0.00669 -0.2 -0.7894 -0.8404 1413855 Maybridge4_002618 O=C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccc5nonc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G23 mock treatment 0.363 -0.0162 -0.51 0.366 -0.0137 -0.41 -0.647 -0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 G24 mock treatment 0.37 -0.0092 -0.29 0.376 -0.00369 -0.11 -0.2818 -0.9113 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H01 compound treatment 0.391 0.0118 0.37 0.413 0.0333 0.99 0.9603 0.9107 3064474 Maybridge4_002619 Cc1ccccc1NC(=O)NC(=O)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H02 compound treatment 0.384 0.0048 0.15 0.391 0.0113 0.34 0.3438 0.9351 1680806 Maybridge4_002620 OC(=O)Cc1csc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H03 compound treatment 0.35 -0.0292 -0.92 0.35 -0.0297 -0.88 -1.2713 -0.9998 3064475 Maybridge4_002621 COc1ccccc1CCn2cc(C#N)c(=O)[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H04 compound treatment 0.37 -0.0092 -0.29 0.39 0.0103 0.31 0.0115 0.0274 3179054 Maybridge4_002622 Cc1cccc(NC(=S)N2CCOC2c3ccsc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H05 compound treatment 0.362 -0.0172 -0.54 0.376 -0.00369 -0.11 -0.4597 -0.8331 1623471 Maybridge4_002623 CCCn1c(=O)c(C#N)cn(C2CC2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H06 compound treatment 0.388 0.0088 0.28 0.386 0.00631 0.19 0.3279 0.9818 3179055 Maybridge4_002624 Cc1c(sc2ccc(Cl)cc12)c3ccnn3S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H07 compound treatment 0.367 -0.0122 -0.38 0.344 -0.0357 -1.06 -1.019 -0.9059 3179056 Maybridge4_002625 COc1ccc(Cn2c(=O)n(c3cc(ccc3C)S(=O)C)c4nc[nH]c4c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H08 compound treatment 0.371 -0.0082 -0.26 0.382 0.00231 0.07 -0.1339 -0.5018 3064477 Maybridge4_002626 CC(C)c1ccc(/N=C/c2sc3ccccc3c2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H09 compound treatment 0.399 0.0198 0.62 0.4 0.0203 0.6 0.8658 0.9999 3179057 Maybridge4_002627 CCOC(=O)c1ccc2nc(cc(N3CCN(CC3)c4ccccc4)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H10 compound treatment 0.38 8.0E-4 0.03 0.393 0.0133 0.39 0.2967 0.7507 3064478 Maybridge4_002628 Cc1c(/C=N/O)sc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H11 compound treatment 0.358 -0.0212 -0.67 0.382 0.00231 0.07 -0.4229 -0.6311 3064510 Maybridge4_002629 COc1ccc(cc1)c2ccnc(SCc3ccc(Cl)cc3Cl)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H12 compound treatment 0.376 -0.0032 -0.1 0.384 0.00431 0.13 0.0192 0.1181 1135828 Maybridge4_002630 OC(=O)CC(NC(=O)Nc1ccccc1)c2ccsc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H13 compound treatment 0.375 -0.0042 -0.13 0.364 -0.0157 -0.46 -0.4221 -0.8734 1625372 Maybridge4_002631 Clc1ccc2c(ccnc2c1)N3CCN(CC3)C(=O)C4CCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H14 compound treatment 0.368 -0.0112 -0.35 0.386 0.00631 0.19 -0.1168 -0.2928 3064512 Maybridge4_002632 COc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)c(C#N)c2OCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H15 compound treatment 0.383 0.0038 0.12 0.386 0.00631 0.19 0.2168 0.9766 3064513 Maybridge4_002633 CCOC(=O)c1sc(Nc2ccccc2C(F)(F)F)c(C(=O)OCC)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H16 compound treatment 0.366 -0.0132 -0.42 0.379 -6.88E-4 -0.02 -0.3079 -0.7409 3064514 Maybridge4_002634 Clc1cccc(N/C(=N\S(=O)(=O)c2ccccc2)/NCCc3ccccn3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H17 compound treatment 0.375 -0.0042 -0.13 0.375 -0.00469 -0.14 -0.1916 -0.9997 3064515 Maybridge4_002635 CCOC(=O)NC(=S)Nc1cccc(C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H18 compound treatment 0.374 -0.0052 -0.16 0.381 0.00131 0.04 -0.0881 -0.5243 3179058 Maybridge4_002636 CCOC(=O)NC(=S)N1CCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H19 compound treatment 0.367 -0.0122 -0.38 0.374 -0.00569 -0.17 -0.3904 -0.9318 3179059 Maybridge4_002637 COc1ccc(CSC2=NCN(CN2)C3CC(C)CC(C)(C)C3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H20 compound treatment 0.364 -0.0152 -0.48 0.371 -0.00869 -0.26 -0.52 -0.9579 1226235 Maybridge4_002638 S=C(NCc1ccccc1)NCc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H21 compound treatment 0.334 -0.0452 -1.42 0.362 -0.0177 -0.52 -1.3756 -0.9081 3179060 Maybridge4_002639 O=C(Cc1ccc(Oc2ccccc2)cc1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H22 compound treatment 0.381 0.0018 0.06 0.384 0.00431 0.13 0.1304 0.9329 3064516 Maybridge4_002640 CCOC(=S)Nc1cccc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H23 mock treatment 0.364 -0.0152 -0.48 0.368 -0.0117 -0.35 -0.5828 -0.9875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 H24 mock treatment 0.384 0.0048 0.15 0.386 0.00631 0.19 0.239 0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I01 compound treatment 0.395 0.0158 0.5 0.419 0.0393 1.16 1.175 0.9278 1349293 Maybridge4_002641 COC(=O)c1ccc-2c(c1)N(C)S(=O)(=O)c3cnc(SC)nc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I02 compound treatment 0.359 -0.0202 -0.64 0.374 -0.00569 -0.17 -0.5683 -0.8648 3064517 Maybridge4_002642 NNC(=O)c1cncc(C#Cc2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I03 compound treatment 0.368 -0.0112 -0.35 0.364 -0.0157 -0.46 -0.5777 -0.9906 1297264 Maybridge4_002643 Clc1ccc(cc1)C(=O)NC(=S)NCC2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I04 compound treatment 0.364 -0.0152 -0.48 0.358 -0.0217 -0.64 -0.7924 -0.9894 1443440 Maybridge4_002644 COC(=O)c1csc(c1OC)S(=O)(=O)N=S(=O)(C)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I05 compound treatment 0.364 -0.0152 -0.48 0.389 0.00931 0.28 -0.1428 -0.2588 3179061 Maybridge4_002645 COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I06 compound treatment 0.362 -0.0172 -0.54 0.371 -0.00869 -0.26 -0.5644 -0.9424 1207614 Maybridge4_002646 Clc1ccc(cc1)S(=O)(=O)N2CCC(CC2)n3cccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I07 compound treatment 0.358 -0.0212 -0.67 0.398 0.0183 0.54 -0.0877 -0.102 1176328 Maybridge4_002647 Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)c4ccc(Cl)cc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I08 compound treatment 0.405 0.0258 0.81 0.405 0.0253 0.75 1.104 0.9992 1698489 Maybridge4_002648 Clc1ccc(Cn2c(=O)c(C#N)nn(c3ccccc3)c2=O)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I09 compound treatment 0.376 -0.0032 -0.1 0.374 -0.00569 -0.17 -0.1903 -0.9696 1223405 Maybridge4_002649 CCOC(=O)NC(=O)c1cn(CCc2ccncc2)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I10 compound treatment 0.366 -0.0132 -0.42 0.377 -0.00269 -0.08 -0.3498 -0.8277 1257420 Maybridge4_002650 CSc1nn(cc1C(=O)N2CCCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I11 compound treatment 0.368 -0.0112 -0.35 0.389 0.00931 0.28 -0.0539 -0.1205 3064519 Maybridge4_002651 CC(C)n1cc(/C(=N/O)/N)c(=O)n(Cc2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I12 compound treatment 0.38 8.0E-4 0.03 0.381 0.00131 0.04 0.0453 0.9778 1544891 Maybridge4_002652 OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I13 compound treatment 0.396 0.0168 0.53 0.402 0.0223 0.66 0.841 0.9938 1689579 Maybridge4_002653 CCOC(=O)c1csc(n1)c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I14 compound treatment 0.372 -0.0072 -0.23 0.386 0.00631 0.19 -0.0278 -0.0947 3064520 Maybridge4_002654 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I15 compound treatment 0.399 0.0198 0.62 0.408 0.0283 0.84 1.0335 0.9892 3179062 Maybridge4_002655 Cc1[nH]c2ccccc2c1SCc3nnc(SCc4ccc(Cl)cc4)n3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I16 compound treatment 0.392 0.0128 0.4 0.406 0.0263 0.78 0.8359 0.9527 3064521 Maybridge4_002656 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I17 compound treatment 0.387 0.0078 0.25 0.377 -0.00269 -0.08 0.1171 0.4542 3179063 Maybridge4_002657 COc1ccc(Oc2cc(nc3cc(nn23)C(C)(C)C)C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I18 compound treatment 0.374 -0.0052 -0.16 0.365 -0.0147 -0.44 -0.4234 -0.9106 3179064 Maybridge4_002658 CSc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I19 compound treatment 0.375 -0.0042 -0.13 0.385 0.00531 0.16 0.0179 0.0873 1399847 Maybridge4_002659 O=S1(=O)CC(N2CCCC2)c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I20 compound treatment 0.371 -0.0082 -0.26 0.368 -0.0117 -0.35 -0.4272 -0.9894 3179065 Maybridge4_002660 FC(F)(F)c1cc(N2CCC(CC2)n3cccc3)c4ccccc4n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I21 compound treatment 0.364 -0.0152 -0.48 0.378 -0.00169 -0.05 -0.3733 -0.7768 3064522 Maybridge4_002661 O=C(OCc1ccc(C#Cc2ccccc2)s1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I22 compound treatment 0.367 -0.0122 -0.38 0.366 -0.0137 -0.41 -0.558 -0.9996 1065782 Maybridge4_002662 O=C(NCc1ccccc1)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I23 mock treatment 0.363 -0.0162 -0.51 0.364 -0.0157 -0.46 -0.6889 -0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 I24 mock treatment 0.377 -0.0022 -0.07 0.371 -0.00869 -0.26 -0.2309 -0.8664 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J01 compound treatment 0.372 -0.0072 -0.23 0.401 0.0213 0.63 0.2865 0.427 3064524 Maybridge4_002663 Cn1c(SCc2cc(F)cc(F)c2)nnc1c3ccc4nonc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J02 compound treatment 0.362 -0.0172 -0.54 0.388 0.00831 0.25 -0.2083 -0.3504 3179066 Maybridge4_002664 Clc1ccc2scc(CC(=O)OCc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J03 compound treatment 0.373 -0.0062 -0.19 0.355 -0.0247 -0.73 -0.6551 -0.8653 3064525 Maybridge4_002665 FC(F)(F)c1cc(N2CCCCC2)c3cccc(Cl)c3n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J04 compound treatment 0.387 0.0078 0.25 0.4 0.0203 0.6 0.599 0.9217 3179067 Maybridge4_002666 NC(=S)Cc1c(Cl)sc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J05 compound treatment 0.368 -0.0112 -0.35 0.37 -0.00969 -0.29 -0.452 -0.9949 1230774 Maybridge4_002667 O=c1c(C#N)cn(C2CC2)c(=O)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J06 compound treatment 0.377 -0.0022 -0.07 0.373 -0.00669 -0.2 -0.189 -0.9006 3064526 Maybridge4_002668 Cc1c(sc2ccc(Cl)cc12)c3ccnc(SCC=C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J07 compound treatment 0.374 -0.0052 -0.16 0.379 -6.88E-4 -0.02 -0.13 -0.7891 1249532 Maybridge4_002669 Cc1cc(NC(=O)c2ccc3nonc3c2)on1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J08 compound treatment 0.38 8.0E-4 0.03 0.392 0.0123 0.36 0.2758 0.7541 1640712 Maybridge4_002670 CN1C(=O)CC(Sc2ccccc12)c3ccsc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J09 compound treatment 0.385 0.0058 0.18 0.382 0.00231 0.07 0.1774 0.9106 3064554 Maybridge4_002671 Cc1ccc2c(cc(nc2c1)C(F)(F)F)N3CC4CCC(CC4)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J10 compound treatment 0.399 0.0198 0.62 0.394 0.0143 0.42 0.7401 0.9825 3064555 Maybridge4_002672 Fc1ccc(NC2=NNC(=O)C2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J11 compound treatment 0.376 -0.0032 -0.1 0.376 -0.00369 -0.11 -0.1484 -0.9992 3064556 Maybridge4_002673 COc1ccc(cc1)c2ccnc(SCC(=O)N3CCOCC3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J12 compound treatment 0.415 0.0358 1.13 0.415 0.0353 1.05 1.5359 0.9993 1655959 Maybridge4_002674 CCCS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J13 compound treatment 0.377 -0.0022 -0.07 0.383 0.00331 0.1 0.0205 0.1706 1535225 Maybridge4_002675 CC(C)N(C(C)C)C(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J14 compound treatment 0.374 -0.0052 -0.16 0.373 -0.00669 -0.2 -0.2557 -0.9954 3064558 Maybridge4_002676 FC(F)(F)COc1ccc(Br)c(OCC(F)(F)F)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J15 compound treatment 0.423 0.0438 1.38 0.409 0.0293 0.87 1.588 0.9753 3064559 Maybridge4_002677 COC(=O)c1ccccc1SC(=O)c2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J16 compound treatment 0.4 0.0208 0.65 0.373 -0.00669 -0.2 0.3223 0.4717 1497304 Maybridge4_002678 Clc1ccc(NC(=S)NS(=O)(=O)c2ccccc2)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J17 compound treatment 0.408 0.0288 0.91 0.404 0.0243 0.72 1.1497 0.9936 1102994 Maybridge4_002679 CCOC(=O)NC(=S)c1cccn1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J18 compound treatment 0.386 0.0068 0.21 0.391 0.0113 0.34 0.3882 0.9764 1203607 Maybridge4_002680 COc1ccc(OC)c(c1)S(=O)(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J19 compound treatment 0.382 0.0028 0.09 0.382 0.00231 0.07 0.1107 0.9923 3064560 Maybridge4_002681 S=C1NCN(Cc2ccncc2)CN1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J20 compound treatment 0.381 0.0018 0.06 0.377 -0.00269 -0.08 -0.0163 -0.1667 3179068 Maybridge4_002682 Cc1cc(Br)c(NC(=S)NC(=O)C(C)(C)C)c(Br)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J21 compound treatment 0.369 -0.0102 -0.32 0.384 0.00431 0.13 -0.1364 -0.3952 3064561 Maybridge4_002683 COC(=O)c1ccc2[nH]cnc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J22 compound treatment 0.367 -0.0122 -0.38 0.36 -0.0197 -0.58 -0.6838 -0.9793 3179069 Maybridge4_002684 O=c1[nH]nc([nH]1)N2CCSCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J23 mock treatment 0.361 -0.0182 -0.57 0.356 -0.0237 -0.7 -0.901 -0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 J24 mock treatment 0.39 0.0108 0.34 0.387 0.00731 0.22 0.3933 0.9764 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K01 compound treatment 0.398 0.0188 0.59 0.406 0.0263 0.78 0.9693 0.9907 3064562 Maybridge4_002685 COC(=O)c1ccc2OCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K02 compound treatment 0.386 0.0068 0.21 0.401 0.0213 0.63 0.5977 0.8965 3179151 Maybridge4_002686 CCOC(=O)c1cncc(C#CCOC(=O)c2c(C)onc2c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K03 compound treatment 0.388 0.0088 0.28 0.392 0.0123 0.36 0.4536 0.9907 1273322 Maybridge4_002687 CCOC(=O)Cc1nn(Cc2nc(cs2)c3ccccc3)c(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K04 compound treatment 0.368 -0.0112 -0.35 0.368 -0.0117 -0.35 -0.4939 -1.0 3179152 Maybridge4_002688 CN(CCOC(=O)c1ccccc1)c2cc(nc3ccccc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K05 compound treatment 0.376 -0.0032 -0.1 0.375 -0.00469 -0.14 -0.1694 -0.9875 3179153 Maybridge4_002689 COc1cccn(Cc2nnc(SCC(=O)c3ccccc3)o2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K06 compound treatment 0.364 -0.0152 -0.48 0.368 -0.0117 -0.35 -0.5828 -0.9875 1551980 Maybridge4_002690 Clc1cc(Cl)cc(NC(=O)N2CCC(CC2)n3cccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K07 compound treatment 0.395 0.0158 0.5 0.407 0.0273 0.81 0.9236 0.9725 3179154 Maybridge4_002691 CN(C)c1cc(nc2cc(nn12)C(C)(C)C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K08 compound treatment 0.38 8.0E-4 0.03 0.392 0.0123 0.36 0.2758 0.7541 3064563 Maybridge4_002692 CCCn1c(=O)c(nn(c2ccccc2)c1=O)/C(=N/O)/N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K09 compound treatment 0.404 0.0248 0.78 0.406 0.0263 0.78 1.1027 1.0 1707363 Maybridge4_002693 Cc1ncn2cc([nH]c(=O)c12)c3ccc(Cl)cc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K10 compound treatment 0.382 0.0028 0.09 0.379 -6.88E-4 -0.02 0.0478 0.5295 3179155 Maybridge4_002694 COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K11 compound treatment 0.38 8.0E-4 0.03 0.392 0.0123 0.36 0.2758 0.7541 1478501 Maybridge4_002695 CC(C)n1cc(c2noc(n2)c3cccs3)c(=O)n(Cc4ccccc4)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K12 compound treatment 0.419 0.0398 1.25 0.409 0.0293 0.87 1.4991 0.9841 3179156 Maybridge4_002696 O=S(=O)(c1ccccc1)n2ccc(n2)c3ccc(C#Cc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K13 compound treatment 0.362 -0.0172 -0.54 0.382 0.00231 0.07 -0.334 -0.6126 1572994 Maybridge4_002697 CC(C)n1cc(c2nc(cs2)C(=O)NN)c(=O)n(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K14 compound treatment 0.385 0.0058 0.18 0.389 0.00931 0.28 0.3241 0.9798 1626520 Maybridge4_002698 O=C(CSc1nc2ccccc2o1)N3CCC(CC3)n4cccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K15 compound treatment 0.382 0.0028 0.09 0.38 3.12E-4 0.01 0.0688 0.7772 3179157 Maybridge4_002699 COc1cc(nc2ccc(C#CCOC(=O)c3ccccc3)cc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K16 compound treatment 0.38 8.0E-4 0.03 0.379 -6.88E-4 -0.02 0.0034 0.1045 3064565 Maybridge4_002700 CCOC(=O)N1CCC(CC1)N/C=C(\C#N)/S(=O)(=O)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K17 compound treatment 0.399 0.0198 0.62 0.41 0.0303 0.9 1.0754 0.984 3179158 Maybridge4_002701 Cc1ccc(cc1)S(=O)(=O)CCN2CCC(CC2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K18 compound treatment 0.381 0.0018 0.06 0.376 -0.00369 -0.11 -0.0372 -0.3026 3064567 Maybridge4_002702 CSc1scc(NC(=O)c2ccc(Cl)cc2)c1S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K19 compound treatment 0.376 -0.0032 -0.1 0.365 -0.0147 -0.44 -0.3789 -0.8482 3179159 Maybridge4_002703 O=S(=O)(/C(=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)/C#N)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K20 compound treatment 0.422 0.0428 1.35 0.401 0.0213 0.63 1.3982 0.9405 3064568 Maybridge4_002704 COC(=O)c1scc2c(cc(nc12)C(F)(F)F)N3CCC(CC3)n4cccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K21 compound treatment 0.367 -0.0122 -0.38 0.503 0.123 3.65 2.3125 0.6294 3179160 Maybridge4_002705 CCOC(=O)C1CCN(CC1)/C=C(\C#N)/S(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K22 compound treatment 0.372 -0.0072 -0.23 0.365 -0.0147 -0.44 -0.4678 -0.9536 1717162 Maybridge4_002706 CCCS(=O)(=O)c1cnc(nc1N)C2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K23 mock treatment 0.365 -0.0142 -0.45 0.371 -0.00869 -0.26 -0.4977 -0.9658 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 K24 mock treatment 0.372 -0.0072 -0.23 0.376 -0.00369 -0.11 -0.2373 -0.9442 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L01 compound treatment 0.395 0.0158 0.5 0.402 0.0223 0.66 0.8188 0.9901 1068568 Maybridge4_002707 CCOC(=O)c1c(C)oc(=O)c(Br)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L02 compound treatment 0.393 0.0138 0.43 0.392 0.0123 0.36 0.5648 0.9963 3064569 Maybridge4_002708 Clc1sc2ccc(Cl)cc2c1CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L03 compound treatment 0.366 -0.0132 -0.42 0.367 -0.0127 -0.38 -0.5593 -0.9988 1726018 Maybridge4_002709 Clc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)C(c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L04 compound treatment 0.368 -0.0112 -0.35 0.38 3.12E-4 0.01 -0.2425 -0.6883 3064570 Maybridge4_002710 CCOC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L05 compound treatment 0.366 -0.0132 -0.42 0.372 -0.00769 -0.23 -0.4546 -0.9601 3179161 Maybridge4_002711 Fc1ccc(NC(=O)NC(=O)CC#N)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L06 compound treatment 0.373 -0.0062 -0.19 0.366 -0.0137 -0.41 -0.4246 -0.9436 1493566 Maybridge4_002712 O=C(SC1=NCCc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L07 compound treatment 0.374 -0.0052 -0.16 0.381 0.00131 0.04 -0.0881 -0.5243 3064593 Maybridge4_002713 OC1(CC(=NN1)c2nccs2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L08 compound treatment 0.394 0.0148 0.47 0.385 0.00531 0.16 0.4404 0.8964 3064595 Maybridge4_002714 Cc1c(/C=C/C(=O)Oc2ccc(C#N)cc2)sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L09 compound treatment 0.387 0.0078 0.25 0.379 -6.88E-4 -0.02 0.159 0.6461 3064596 Maybridge4_002715 CCOC(=O)C1CCN(CC1)c2cc(nc3ccc(C)cc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L10 compound treatment 0.407 0.0278 0.87 0.406 0.0263 0.78 1.1694 0.9984 3064597 Maybridge4_002716 CC(C)c1ccc(NC2=NNC(=O)C2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L11 compound treatment 0.381 0.0018 0.06 0.383 0.00331 0.1 0.1094 0.9658 3482130 Maybridge4_002717 CC(C)(C)OC(=O)Nc1ncnc2n(cnc12)C3OC(CO)C4OC(C)(C)OC34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L12 compound treatment 0.389 0.0098 0.31 0.391 0.0113 0.34 0.4549 0.9991 3064598 Maybridge4_002718 Cc1n[nH]c(C)c1Sc2nccc(n2)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L13 compound treatment 0.374 -0.0052 -0.16 0.369 -0.0107 -0.32 -0.3395 -0.9527 1572567 Maybridge4_002719 O=C(NCc1ccc(s1)S(=O)(=O)NCCN2CCOCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L14 compound treatment 0.375 -0.0042 -0.13 0.388 0.00831 0.25 0.0808 0.2891 3064599 Maybridge4_002720 NC(=O)c1csc(n1)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L15 compound treatment 0.38 8.0E-4 0.03 0.386 0.00631 0.19 0.1501 0.795 3064600 Maybridge4_002721 Clc1ccc(cc1)c2nnc(o2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L16 compound treatment 0.382 0.0028 0.09 0.374 -0.00569 -0.17 -0.0569 -0.2993 3179162 Maybridge4_002722 CN(C)c1ccc(cc1)C2OCCN2C(=S)Nc3ccccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L17 compound treatment 0.355 -0.0242 -0.76 0.358 -0.0217 -0.64 -0.9925 -0.9965 3064601 Maybridge4_002723 Cc1ccc(cc1)C(=O)CSC2=NCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L18 compound treatment 0.375 -0.0042 -0.13 0.379 -6.88E-4 -0.02 -0.1078 -0.8066 3179163 Maybridge4_002724 CC(C)CNC(=S)N1CCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L19 compound treatment 0.368 -0.0112 -0.35 0.372 -0.00769 -0.23 -0.4101 -0.9778 1286430 Maybridge4_002725 S=C1NCN(CN1)C(Cc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L20 compound treatment 0.368 -0.0112 -0.35 0.436 0.0563 1.67 0.9309 0.5458 3064602 Maybridge4_002726 CCOC(=O)NC(=S)Nc1ccc(cc1)N2CC(C)OC(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L21 compound treatment 0.352 -0.0272 -0.86 0.359 -0.0207 -0.61 -1.0382 -0.9867 3179164 Maybridge4_002727 NNC(=O)C1CCC(CC1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L22 compound treatment 0.386 0.0068 0.21 0.4 0.0203 0.6 0.5768 0.903 1090059 Maybridge4_002728 CCOC(=O)NC(=S)c1ccc[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L23 mock treatment 0.369 -0.0102 -0.32 0.373 -0.00669 -0.2 -0.3669 -0.9732 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 L24 mock treatment 0.377 -0.0022 -0.07 0.386 0.00631 0.19 0.0833 0.4179 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M01 compound treatment 0.398 0.0188 0.59 0.403 0.0233 0.69 0.9065 0.997 3179165 Maybridge4_002729 O=S(=O)(Cc1ccc2nonc2c1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M02 compound treatment 0.385 0.0058 0.18 0.378 -0.00169 -0.05 0.0936 0.495 3179166 Maybridge4_002730 CCOC(=O)c1cncc(C#CCOC(=O)c2ccc(Cl)cn2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M03 compound treatment 0.382 0.0028 0.09 0.387 0.00731 0.22 0.2155 0.9213 3064603 Maybridge4_002731 CN1c2sc(C)c(C)c2-c3nc(SCC(=O)C(C)(C)C)ncc3S1(=O)=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M04 compound treatment 0.42 0.0408 1.28 0.417 0.0373 1.11 1.6889 0.9973 3179167 Maybridge4_002732 Clc1cc(Cl)cc(NC(=O)Nc2cc(n[nH]2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M05 compound treatment 0.379 -2.0E-4 -0.01 0.369 -0.0107 -0.32 -0.2284 -0.721 1536304 Maybridge4_002733 Clc1ccc(cc1)c2csc(COc3ccc4nonc4c3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M06 compound treatment 0.376 -0.0032 -0.1 0.376 -0.00369 -0.11 -0.1484 -0.9992 3179168 Maybridge4_002734 O=S(=O)(/C(=C/N1CCC(CC1)n2cccc2)/C#N)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M07 compound treatment 0.4 0.0208 0.65 0.39 0.0103 0.31 0.6785 0.9399 1203004 Maybridge4_002735 Cn1c(S)nnc1CC2Sc3ccccc3NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M08 compound treatment 0.579 0.2 6.28 0.606 0.226 6.71 9.1842 0.9995 1245628 Maybridge4_002736 CCCn1c(=O)c(C#N)nn(c2ccc(OC)cc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M09 compound treatment 0.408 0.0288 0.91 0.411 0.0313 0.93 1.2964 0.9999 1544442 Maybridge4_002737 CCOC(=O)NC(=O)c1cn(Cc2ccco2)c(=O)n(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M10 compound treatment 0.413 0.0338 1.06 0.397 0.0173 0.51 1.1142 0.9442 3064605 Maybridge4_002738 FC(F)(F)Oc1ccc(NC(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M11 compound treatment 0.399 0.0198 0.62 0.396 0.0163 0.48 0.782 0.9922 3179169 Maybridge4_002739 Cn1c(CSc2cc(nc3ccccc23)C(F)(F)F)nnc1SCC(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M12 compound treatment 0.401 0.0218 0.69 0.391 0.0113 0.34 0.7217 0.9459 3179170 Maybridge4_002740 Cc1ccc2nc(cc(N3CCN(CC3)/C=C(/C#N)\S(=O)(=O)c4ccccn4)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M13 compound treatment 0.393 0.0138 0.43 0.402 0.0223 0.66 0.7743 0.9791 3064606 Maybridge4_002741 COC(=O)c1scc2c(Sc3ccc(Cl)cc3)cc(nc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M14 compound treatment 0.386 0.0068 0.21 0.392 0.0123 0.36 0.4092 0.9676 1624356 Maybridge4_002742 Cn1c(S)nnc1CSC2CN(C2)C(c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M15 compound treatment 0.403 0.0238 0.75 0.4 0.0203 0.6 0.9548 0.9942 1609003 Maybridge4_002743 Clc1ccc(Cn2ccnc2COC(=O)c3ccccc3Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M16 compound treatment 0.381 0.0018 0.06 0.387 0.00731 0.22 0.1932 0.8629 3179171 Maybridge4_002744 CCOC(=O)N1CCC(CC1)N/C=C(\C#N)/S(=O)(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M17 compound treatment 0.378 -0.0012 -0.04 0.389 0.00931 0.28 0.1684 0.6048 3064607 Maybridge4_002745 Clc1ccc(SC2CS(=O)(=O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M18 compound treatment 0.38 8.0E-4 0.03 0.387 0.00731 0.22 0.171 0.7839 3179261 Maybridge4_002746 COc1ccc(cc1OC)S(=O)(=O)N(CCC(=O)O)Cc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M19 compound treatment 0.386 0.0068 0.21 0.397 0.0173 0.51 0.5139 0.9247 3064609 Maybridge4_002747 CC(C)(C)S(=O)(=O)/C(=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M20 compound treatment 0.374 -0.0052 -0.16 0.382 0.00231 0.07 -0.0672 -0.3788 1049769 Maybridge4_002748 CC(C)NC(=O)c1ccccc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M21 compound treatment 0.366 -0.0132 -0.42 0.382 0.00231 0.07 -0.245 -0.5825 3063912 Maybridge4_002749 CCOC(=O)C1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M22 compound treatment 0.375 -0.0042 -0.13 0.39 0.0103 0.31 0.1227 0.3686 1471006 Maybridge4_002750 Nc1cc(=O)n(Cc2ccccc2)c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M23 mock treatment 0.382 0.0028 0.09 0.374 -0.00569 -0.17 -0.0569 -0.2993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 M24 mock treatment 0.393 0.0138 0.43 0.395 0.0153 0.45 0.6277 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N01 compound treatment 0.399 0.0198 0.62 0.412 0.0323 0.96 1.1173 0.9783 3063913 Maybridge4_002751 Cn1c(SCC(=O)NCC=C)nnc1c2ccc3nonc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N02 compound treatment 0.418 0.0388 1.22 0.418 0.0383 1.14 1.6654 0.9994 3063914 Maybridge4_002752 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N03 compound treatment 0.38 8.0E-4 0.03 0.375 -0.00469 -0.14 -0.0804 -0.5698 1156673 Maybridge4_002753 O=S(=O)(N1CCC(CC1)C(c2ccccc2)c3ccccc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N04 compound treatment 0.404 0.0248 0.78 0.399 0.0193 0.57 0.956 0.9884 3063915 Maybridge4_002754 CNC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N05 compound treatment 0.372 -0.0072 -0.23 0.378 -0.00169 -0.05 -0.1954 -0.843 1656700 Maybridge4_002755 COc1ccc(cc1)n2c(N)cc(=O)[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N06 compound treatment 0.388 0.0088 0.28 0.398 0.0183 0.54 0.5794 0.9512 3063916 Maybridge4_002756 CN(c1ccccc1)S(=O)(=O)c2sc3ccc(Cl)cc3c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N07 compound treatment 0.386 0.0068 0.21 0.406 0.0263 0.78 0.7025 0.8689 3179262 Maybridge4_002757 CCOC(=O)N1CCN(CC1)c2cc(nc3c(Cl)cccc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N08 compound treatment 0.375 -0.0042 -0.13 0.383 0.00331 0.1 -0.024 -0.1457 3179263 Maybridge4_002758 COc1ccc(OC(=O)/C=C/c2sc3ccccc3c2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N09 compound treatment 0.415 0.0358 1.13 0.419 0.0393 1.16 1.6197 0.9999 3063917 Maybridge4_002759 CCOC(=O)c1ccc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N10 compound treatment 0.381 0.0018 0.06 0.38 3.12E-4 0.01 0.0466 0.812 3179264 Maybridge4_002760 CNC(=S)NCc1sc2ccccc2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N11 compound treatment 0.398 0.0188 0.59 0.394 0.0143 0.42 0.7179 0.9867 1569047 Maybridge4_002761 CCc1ccc2[nH]c(cc2c1)C(=O)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N12 compound treatment 0.393 0.0138 0.43 0.39 0.0103 0.31 0.5229 0.9853 3063918 Maybridge4_002762 Cc1nc2cc(nn2c(C)c1Sc3nccc(n3)c4cccnc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N13 compound treatment 0.397 0.0178 0.56 0.403 0.0233 0.69 0.8842 0.9945 1306797 Maybridge4_002763 COc1cc2CCN=C(c3ccc(Cl)cc3)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N14 compound treatment 0.394 0.0148 0.47 0.386 0.00631 0.19 0.4613 0.9198 3063920 Maybridge4_002764 C(N1CCC(=N1)c2cccs2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N15 compound treatment 0.417 0.0378 1.19 0.41 0.0303 0.9 1.4756 0.9905 3179265 Maybridge4_002765 CC(C)(C)Sc1nc2ccccc2[nH]c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N16 compound treatment 0.375 -0.0042 -0.13 0.378 -0.00169 -0.05 -0.1287 -0.9117 1707053 Maybridge4_002766 CCOC(=O)NC(=S)c1ccc(OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N17 compound treatment 0.381 0.0018 0.06 0.378 -0.00169 -0.05 0.0047 0.0617 3179266 Maybridge4_002767 Clc1cccc(c1)C(=O)Nc2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N18 compound treatment 0.38 8.0E-4 0.03 0.385 0.00531 0.16 0.1291 0.8098 1022738 Maybridge4_002768 NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N19 compound treatment 0.372 -0.0072 -0.23 0.381 0.00131 0.04 -0.1326 -0.5772 3179267 Maybridge4_002769 Cc1nnsc1c2nnc(S)n2C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N20 compound treatment 0.371 -0.0082 -0.26 0.384 0.00431 0.13 -0.092 -0.3196 1602154 Maybridge4_002770 CC1CN(CC(C)O1)c2ccc(NC(=S)Nc3ccc(cc3)N4CC(C)OC(C)C4)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N21 compound treatment 0.388 0.0088 0.28 0.387 0.00731 0.22 0.3489 0.9927 1095185 Maybridge4_002771 Nc1c(sc2ncccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N22 compound treatment 0.367 -0.0122 -0.38 0.374 -0.00569 -0.17 -0.3904 -0.9318 3063921 Maybridge4_002772 OCCNC(=S)NC1CCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N23 mock treatment 0.372 -0.0072 -0.23 0.375 -0.00469 -0.14 -0.2583 -0.9725 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 N24 mock treatment 0.397 0.0178 0.56 0.39 0.0103 0.31 0.6118 0.9595 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O01 compound treatment 0.408 0.0288 0.91 0.414 0.0343 1.02 1.3593 0.9983 1227681 Maybridge4_002773 CSc1ncc(C(=O)NN)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O02 compound treatment 0.379 -2.0E-4 -0.01 0.383 0.00331 0.1 0.065 0.6604 3179268 Maybridge4_002774 Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O03 compound treatment 0.375 -0.0042 -0.13 0.386 0.00631 0.19 0.0389 0.1698 1733846 Maybridge4_002775 CNC(=O)c1cc(Br)cc2CCOc21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O04 compound treatment 0.368 -0.0112 -0.35 0.391 0.0113 0.34 -0.012 -0.0247 3179269 Maybridge4_002776 FC(F)(F)Oc1ccc(NC(=O)Nc2cc(n[nH]2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O05 compound treatment 0.38 8.0E-4 0.03 0.38 3.12E-4 0.01 0.0243 0.9078 3063922 Maybridge4_002777 CCOC(=O)c1sc(COc2ccc3nonc3c2)nc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O06 compound treatment 0.384 0.0048 0.15 0.379 -6.88E-4 -0.02 0.0923 0.6062 3179270 Maybridge4_002778 CC(C)(C)S(=O)(=O)/C(=C/N1CCC(CC1)n2cccc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O07 compound treatment 0.408 0.0288 0.91 0.406 0.0263 0.78 1.1917 0.9972 3063923 Maybridge4_002779 CCSc1cc(nc2cc(nn12)C(C)(C)C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O08 compound treatment 0.406 0.0268 0.84 0.395 0.0153 0.45 0.9167 0.9578 3063924 Maybridge4_002780 CSc1nn(cc1C(=O)Nc2ccc(Cl)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O09 compound treatment 0.389 0.0098 0.31 0.39 0.0103 0.31 0.434 1.0 1030103 Maybridge4_002781 O=c1[nH]c(=O)n(cc1C#N)C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O10 compound treatment 0.4 0.0208 0.65 0.388 0.00831 0.25 0.6366 0.9109 1309716 Maybridge4_002782 CSc1nc2c(Cl)cccc2c3n(C)[nH]c(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O11 compound treatment 0.387 0.0078 0.25 0.387 0.00731 0.22 0.3266 0.9981 1606150 Maybridge4_002783 Cc1[nH]c2ccccc2c1SCC(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O12 compound treatment 0.394 0.0148 0.47 0.385 0.00531 0.16 0.4404 0.8964 1579140 Maybridge4_002784 CCOC(=O)Cn1n(C)c2c(cnc3n(C)nc(C)c32)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O13 compound treatment 0.379 -2.0E-4 -0.01 0.398 0.0183 0.54 0.3792 0.6989 1697318 Maybridge4_002785 CCOC(=O)Cn1c(=O)c(cn(C(C)C)c1=O)C(=S)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O14 compound treatment 0.418 0.0388 1.22 0.425 0.0453 1.34 1.8121 0.9989 1214988 Maybridge4_002786 Clc1ccc(OC(=O)c2c(nnc3ccccc23)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O15 compound treatment 0.422 0.0428 1.35 0.416 0.0363 1.08 1.7125 0.9939 3063958 Maybridge4_002787 COc1cc(nc2ccc(C#CCOC(=O)Nc3ccccc3)cc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O16 compound treatment 0.404 0.0248 0.78 0.417 0.0373 1.11 1.3332 0.9854 3063959 Maybridge4_002788 Clc1ccc(SCc2n[nH]c(=O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O17 compound treatment 0.423 0.0438 1.38 0.432 0.0523 1.55 2.0699 0.9983 1427896 Maybridge4_002789 Cc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O18 compound treatment 0.384 0.0048 0.15 0.398 0.0183 0.54 0.4904 0.8707 3063960 Maybridge4_002790 COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C2CCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O19 compound treatment 0.383 0.0038 0.12 0.39 0.0103 0.31 0.3006 0.9161 1698976 Maybridge4_002791 Cn1c(=O)c(cn(c2ccccc2)c1=O)c3nc(cs3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O20 compound treatment 0.376 -0.0032 -0.1 0.39 0.0103 0.31 0.1449 0.4505 3179271 Maybridge4_002792 CCOC(=O)C1CCC(N1C(=O)Nc2ccc(Cl)cc2)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O21 compound treatment 0.426 0.0468 1.47 0.426 0.0463 1.37 2.0109 0.9994 3063961 Maybridge4_002793 FC(F)(F)c1cccc(NC(=O)CN2C(=O)CSc3ccc(cc23)C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O22 compound treatment 0.386 0.0068 0.21 0.384 0.00431 0.13 0.2415 0.9697 1142886 Maybridge4_002794 Nc1nc(ncc1S(=O)(=O)c2ccccc2)C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O23 mock treatment 0.392 0.0128 0.4 0.394 0.0143 0.42 0.5845 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 O24 mock treatment 0.404 0.0248 0.78 0.405 0.0253 0.75 1.0818 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P01 compound treatment 0.405 0.0258 0.81 0.411 0.0313 0.93 1.2297 0.9978 1672516 Maybridge4_002795 O=C(Nc1ccc2nonc2c1)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P02 compound treatment 0.454 0.0748 2.35 0.456 0.0763 2.26 3.262 0.9998 3179272 Maybridge4_002796 FC(F)(F)c1ccccc1NC(=S)Nc2ccc3C=CS(=O)(=O)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P03 compound treatment 0.391 0.0118 0.37 0.402 0.0223 0.66 0.7299 0.9627 3063964 Maybridge4_002797 CCCn1c(=O)n(c2ccccc2C)c3[nH]cnc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P04 compound treatment 0.39 0.0108 0.34 0.396 0.0163 0.48 0.5819 0.9851 1153341 Maybridge4_002798 Cc1c(CC(=O)NN)sc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P05 compound treatment 0.396 0.0168 0.53 0.396 0.0163 0.48 0.7153 0.999 1289003 Maybridge4_002799 Cc1ccccc1n2ccc(=O)[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P06 compound treatment 0.39 0.0108 0.34 0.393 0.0133 0.39 0.5191 0.9972 3179273 Maybridge4_002800 Cc1c(sc2ccc(Cl)cc12)C(=O)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P07 compound treatment 0.4 0.0208 0.65 0.383 0.00331 0.1 0.5319 0.8042 3063965 Maybridge4_002801 CSc1nnc(CNC(=O)OC(C)(C)C)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P08 compound treatment 0.399 0.0198 0.62 0.391 0.0113 0.34 0.6773 0.9578 3179274 Maybridge4_002802 Cc1c(COC(=O)c2ccccc2)sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P09 compound treatment 0.402 0.0228 0.72 0.388 0.00831 0.25 0.6811 0.8985 3179275 Maybridge4_002803 Cn1c(CNC(=O)c2cccs2)nnc1SCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P10 compound treatment 0.404 0.0248 0.78 0.4 0.0203 0.6 0.977 0.9918 3063968 Maybridge4_002804 Cc1c(CNC(=O)c2ccc(cc2)C(F)(F)F)sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P11 compound treatment 0.386 0.0068 0.21 0.384 0.00431 0.13 0.2415 0.9697 1496234 Maybridge4_002805 CCc1ccc2[nH]c(cc2c1)C(=O)NC(C)COC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P12 compound treatment 0.428 0.0488 1.53 0.435 0.0553 1.64 2.244 0.9995 1637130 Maybridge4_002806 Clc1ccc(cc1)N2N=C(CSc3nccc(n3)c4cccnc4)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P13 compound treatment 0.408 0.0288 0.91 0.399 0.0193 0.57 1.045 0.9755 3179276 Maybridge4_002807 Clc1ccc(cc1)c2ccc(s2)C(=O)OCc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P14 compound treatment 0.421 0.0418 1.31 0.409 0.0293 0.87 1.5436 0.9798 3063969 Maybridge4_002808 CN1CCC(=N1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P15 compound treatment 0.388 0.0088 0.28 0.4 0.0203 0.6 0.6213 0.9378 3179277 Maybridge4_002809 FC(F)(F)c1ccc(CNC(=O)N/C=C/c2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P16 compound treatment 0.387 0.0078 0.25 0.397 0.0173 0.51 0.5362 0.9429 3063970 Maybridge4_002810 Oc1nnc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P17 compound treatment 0.385 0.0058 0.18 0.386 0.00631 0.19 0.2612 0.9999 3179278 Maybridge4_002811 COc1ccc(cc1)c2nc(cs2)c3ccc(C)cc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P18 compound treatment 0.398 0.0188 0.59 0.415 0.0353 1.05 1.1579 0.9635 1676105 Maybridge4_002812 COc1ccc(cc1)c2nc(nc(=O)[nH]2)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P19 compound treatment 0.391 0.0118 0.37 0.381 0.00131 0.04 0.2899 0.777 3063971 Maybridge4_002813 OCc1cnc(S)n1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P20 compound treatment 0.367 -0.0122 -0.38 0.378 -0.00169 -0.05 -0.3066 -0.7926 1134458 Maybridge4_002814 CC1CN(CC(C)O1)c2ccc(NC(=S)NN)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P21 compound treatment 0.4 0.0208 0.65 0.407 0.0273 0.81 1.0347 0.9944 3063972 Maybridge4_002815 Cc1ccc2sc(cc2c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P22 compound treatment 0.417 0.0378 1.19 0.424 0.0443 1.31 1.7689 0.9988 3063973 Maybridge4_002816 CCCc1ccc(NC(=S)OCC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P23 mock treatment 0.391 0.0118 0.37 0.386 0.00631 0.19 0.3946 0.9497 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2056 P24 mock treatment 0.433 0.0538 1.69 0.423 0.0433 1.28 2.1037 0.9907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A01 compound treatment 0.408 0.0277 0.87 0.376 -0.00531 -0.16 0.5036 0.5698 3179279 Maybridge4_002817 CCOC(=S)Nc1ccc(I)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A02 compound treatment 0.437 0.0567 1.78 0.42 0.0387 1.15 2.0703 0.9773 3179280 Maybridge4_002818 Cn1c(/C=C/C=C/N2CCCC2)nc3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A03 compound treatment 0.379 -0.00134 -0.04 0.396 0.0147 0.44 0.2779 0.6355 3063974 Maybridge4_002819 CCCn1c(n[nH]c1=O)c2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A04 compound treatment 0.379 -0.00134 -0.04 0.401 0.0197 0.58 0.3826 0.6542 3179380 Maybridge4_002820 CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(Cl)cc2)nc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A05 compound treatment 0.388 0.00766 0.24 0.4 0.0187 0.55 0.5618 0.9304 1487054 Maybridge4_002821 Cc1ccccc1S(=O)c2ccccc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A06 compound treatment 0.386 0.00566 0.18 0.392 0.0107 0.32 0.3497 0.9628 3064003 Maybridge4_002822 N(/C=N/c1ccc2ccccc2c1)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A07 compound treatment 0.381 6.56E-4 0.02 0.403 0.0217 0.64 0.469 0.7294 1198685 Maybridge4_002823 CC(C)CC(NC(=O)Nc1cccc2ccccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A08 compound treatment 0.399 0.0187 0.59 0.384 0.00269 0.08 0.4711 0.7958 3064005 Maybridge4_002824 FC(F)(F)c1ncncc1c2nnnn2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A09 compound treatment 0.414 0.0337 1.06 0.407 0.0257 0.76 1.2865 0.9869 3064006 Maybridge4_002825 CN(C)/C=C(\C(=S)c1ccccc1)/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A10 compound treatment 0.421 0.0407 1.28 0.421 0.0397 1.18 1.7355 0.9991 3064007 Maybridge4_002826 Clc1ccc(O/C=C/C(=O)c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A11 compound treatment 0.367 -0.0133 -0.42 0.379 -0.00231 -0.07 -0.3451 -0.8118 1652788 Maybridge4_002827 CN1C(=O)C(Cc2ccccc2)(Cc3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A12 compound treatment 0.378 -0.00234 -0.07 0.388 0.00669 0.2 0.088 0.4163 3064008 Maybridge4_002828 O=c1[nH]c2ccccc2c(=O)n1CCNCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A13 compound treatment 0.383 0.00266 0.08 0.399 0.0177 0.52 0.4297 0.8096 3064009 Maybridge4_002829 C/C(=N\O)/C(=O)Nc1cccc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A14 compound treatment 0.454 0.0737 2.32 0.466 0.0847 2.51 3.4121 0.9992 3179381 Maybridge4_002830 Clc1ccc(/C=C(\C#N)/c2c[nH]c3ccccc23)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A15 compound treatment 0.435 0.0547 1.72 0.441 0.0597 1.77 2.4658 0.9999 3179382 Maybridge4_002831 O=C(/C=C\1/Nc2[nH]c(=S)[nH]c(=O)c2NC1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A16 compound treatment 0.479 0.0987 3.1 0.409 0.0277 0.82 2.7736 0.8644 3064010 Maybridge4_002832 FC(F)(F)c1ccc(/C=C(\C#N)/c2cn(C(=O)C3CCC3)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A17 compound treatment 0.383 0.00266 0.08 0.398 0.0167 0.49 0.4087 0.815 1477955 Maybridge4_002833 Cc1c(O)c(C(=O)c2nn[nH]n2)c(=O)n(c3ccccc3)c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A18 compound treatment 0.368 -0.0123 -0.39 0.38 -0.00131 -0.04 -0.302 -0.7741 1152993 Maybridge4_002834 COc1ccc(CC(=O)NN2C(=O)CSCC2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A19 compound treatment 0.373 -0.00734 -0.23 0.384 0.00269 0.08 -0.107 -0.4379 3179383 Maybridge4_002835 O=C(C/C(=C\1/CCc2ccccc2C1=O)/c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A20 compound treatment 0.399 0.0187 0.59 0.389 0.00769 0.23 0.5759 0.9151 3179384 Maybridge4_002836 CC1CC(CC(C)(C)C1)NC(=S)NCc2csc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A21 compound treatment 0.388 0.00766 0.24 0.399 0.0177 0.52 0.5408 0.9377 1438428 Maybridge4_002837 CC12CCC3C(CC=C4CC(O)CCC34CO)C2CCC1OC(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A22 compound treatment 0.377 -0.00334 -0.11 0.39 0.00869 0.26 0.1077 0.3873 3179385 Maybridge4_002838 CC(=O)Nc1ccc(cc1)C2=N/C(=C/c3cn(C(=O)C)c4ccccc34)/C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A23 mock treatment 0.376 -0.00434 -0.14 0.367 -0.0143 -0.42 -0.3965 -0.8898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 A24 mock treatment 0.367 -0.0133 -0.42 0.354 -0.0273 -0.81 -0.869 -0.9532 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B01 compound treatment 0.419 0.0387 1.22 0.402 0.0207 0.61 1.2929 0.9498 1595249 Maybridge4_002839 COc1ccc(cc1)C2C(C(=O)O)c3ccccc3C(=O)N2Cc4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B02 compound treatment 0.372 -0.00834 -0.26 0.357 -0.0243 -0.72 -0.6949 -0.9064 3064011 Maybridge4_002840 FC(F)(F)c1nnc(Nc2cccnc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B03 compound treatment 0.378 -0.00234 -0.07 0.378 -0.00331 -0.1 -0.1215 -0.99 1011958 Maybridge4_002841 CC(=O)Nc1ccc(Cc2ccc(NC(=O)C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B04 compound treatment 0.362 -0.0183 -0.58 0.392 0.0107 0.32 -0.1839 -0.2795 3179386 Maybridge4_002842 O=C1N(C2CCCCC2)/C(=N/C3CCCCC3)/SC41CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B05 compound treatment 0.369 -0.0113 -0.36 0.379 -0.00231 -0.07 -0.3007 -0.8278 3064012 Maybridge4_002843 CS/C(=N\C#N)/N=c\1/nc(SC)n(C)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B06 compound treatment 0.377 -0.00334 -0.11 0.369 -0.0123 -0.36 -0.3323 -0.8753 3179387 Maybridge4_002844 Cc1cc(S)nc(n1)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B07 compound treatment 0.382 0.00166 0.05 0.382 6.88E-4 0.02 0.0512 0.9161 3064013 Maybridge4_002845 Cc1csc(Nc2c(C)cccc2C)[n+]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B08 compound treatment 0.386 0.00566 0.18 0.402 0.0207 0.61 0.5592 0.8761 3179388 Maybridge4_002846 Cc1nc(nc(NCCNc2cc(ccn2)C(F)(F)F)c1Cl)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B09 compound treatment 0.379 -0.00134 -0.04 0.383 0.00169 0.05 0.0055 0.0837 3064014 Maybridge4_002847 Clc1ccc(/C=C(\C#N)/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B10 compound treatment 0.378 -0.00234 -0.07 0.388 0.00669 0.2 0.088 0.4163 1673007 Maybridge4_002848 COc1ccc(CCNC(=O)C(Sc2ccc(Cl)cc2)c3ccccc3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B11 compound treatment 0.399 0.0187 0.59 0.405 0.0237 0.7 0.9111 0.996 1278976 Maybridge4_002849 CSc1nc2ccccc2c(=O)n1CCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B12 compound treatment 0.467 0.0867 2.72 0.496 0.115 3.4 4.3297 0.994 3179389 Maybridge4_002850 CCOC(=O)/C(=N\O)/C1=CSC2=NNC(C)(C)N12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B13 compound treatment 0.394 0.0137 0.43 0.399 0.0177 0.52 0.6742 0.9951 1697626 Maybridge4_002851 Oc1ccccc1C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B14 compound treatment 0.341 -0.0393 -1.24 0.361 -0.0203 -0.6 -1.3004 -0.9452 1029066 Maybridge4_002852 OC(Cc1cccnc1)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B15 compound treatment 0.371 -0.00934 -0.29 0.375 -0.00631 -0.19 -0.34 -0.9762 3179390 Maybridge4_002853 Cn/1c(cs\c1=N/C(=S)NCCc2ccccc2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B16 compound treatment 0.375 -0.00534 -0.17 0.388 0.00669 0.2 0.0213 0.082 1414388 Maybridge4_002854 Cc1ccc2onc(OC(=O)NC(C)(C)C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B17 compound treatment 0.393 0.0127 0.4 0.401 0.0197 0.58 0.6939 0.9826 3064015 Maybridge4_002855 CS/C(=N\c1ccc(Cl)cc1)/N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B18 compound treatment 0.382 0.00166 0.05 0.423 0.0417 1.24 0.9103 0.7363 1450668 Maybridge4_002856 CNC(=O)Nc1cccc(c1)c2cc(no2)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B19 compound treatment 0.354 -0.0263 -0.83 0.38 -0.00131 -0.04 -0.6132 -0.7395 1567287 Maybridge4_002857 COc1cc(CSc2nnnn2c3ccc(C)cc3C)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B20 compound treatment 0.382 0.00166 0.05 0.376 -0.00531 -0.16 -0.0745 -0.4492 1505699 Maybridge4_002858 COC(=O)c1c(NC(=O)N(C)C)onc1c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B21 compound treatment 0.405 0.0247 0.78 0.416 0.0347 1.03 1.275 0.9903 1506761 Maybridge4_002859 NCCSC(=S)NC1CCCCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B22 compound treatment 0.373 -0.00734 -0.23 0.374 -0.00731 -0.22 -0.3165 -0.9995 3064016 Maybridge4_002860 CN(C)/C=N/C1NC(=O)N(C)C(=N1)C2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B23 mock treatment 0.367 -0.0133 -0.42 0.375 -0.00631 -0.19 -0.4289 -0.9338 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 B24 mock treatment 0.382 0.00166 0.05 0.345 -0.0363 -1.08 -0.724 -0.6721 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C01 compound treatment 0.394 0.0137 0.43 0.393 0.0117 0.35 0.5485 0.9943 1030385 Maybridge4_002861 S=C(NC1CCCCC1)C(=S)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C02 compound treatment 0.396 0.0157 0.49 0.393 0.0117 0.35 0.593 0.9852 3064017 Maybridge4_002862 Clc1ccc(cc1)C(=O)c2[n+]([N-]C#N)ccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C03 compound treatment 0.378 -0.00234 -0.07 0.366 -0.0153 -0.45 -0.3729 -0.8113 3179391 Maybridge4_002863 CCCn1c(n[nH]c1=O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C04 compound treatment 0.406 0.0257 0.81 0.482 0.101 2.98 2.6801 0.8672 3064018 Maybridge4_002864 O=C(/C=C/Sc1ccccn1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C05 compound treatment 0.366 -0.0143 -0.45 0.38 -0.00131 -0.04 -0.3464 -0.7652 3179392 Maybridge4_002865 CCNS(=O)(=O)c1ccc(Cl)cc1I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C06 compound treatment 0.374 -0.00634 -0.2 0.388 0.00669 0.2 -9.0E-4 -0.0033 3064054 Maybridge4_002866 CC1C(O/C(=N\S(=O)(=O)c2ccc(Cl)cc2)/N1C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C07 compound treatment 0.373 -0.00734 -0.23 0.375 -0.00631 -0.19 -0.2955 -0.9945 1049317 Maybridge4_002867 OC(=O)CCNC(=O)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C08 compound treatment 0.389 0.00866 0.27 0.404 0.0227 0.67 0.6678 0.9208 3064055 Maybridge4_002868 Oc1c([I+]c2ccccc2)c(=O)[nH]c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C09 compound treatment 0.374 -0.00634 -0.2 0.383 0.00169 0.05 -0.1057 -0.5139 3064056 Maybridge4_002869 N#CC(Cc1ccccc1)(Cc2ccccc2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C10 compound treatment 0.363 -0.0173 -0.55 0.363 -0.0183 -0.54 -0.7693 -1.0 1357025 Maybridge4_002870 CC1(C)c2cc(Cl)ccc2-n3c1cc(O)c(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C11 compound treatment 0.375 -0.00534 -0.17 0.385 0.00369 0.11 -0.0415 -0.2073 1019915 Maybridge4_002871 Cc1ccc(cc1)C(O)c2nccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C12 compound treatment 0.388 0.00766 0.24 0.37 -0.0113 -0.34 -0.0668 -0.1619 3064058 Maybridge4_002872 O/N=C/C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C13 compound treatment 0.387 0.00666 0.21 0.387 0.00569 0.17 0.2672 0.9942 3064059 Maybridge4_002873 CC(C)/C(=N/O)/c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C14 compound treatment 0.377 -0.00334 -0.11 0.37 -0.0113 -0.34 -0.3114 -0.8863 1733383 Maybridge4_002874 CCCCC1(CO)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C15 compound treatment 0.45 0.0697 2.19 0.441 0.0597 1.77 2.7993 0.9944 1134906 Maybridge4_002875 NC(=O)NC1C(Oc2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C16 compound treatment 0.378 -0.00234 -0.07 0.381 -3.12E-4 -0.01 -0.0587 -0.7897 1708436 Maybridge4_002876 CSc1[nH]nc(NS(=O)(=O)c2ccc(Cl)cc2)c1c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C17 compound treatment 0.363 -0.0173 -0.55 0.371 -0.0103 -0.31 -0.6017 -0.9625 1325632 Maybridge4_002877 CCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C18 compound treatment 0.374 -0.00634 -0.2 0.385 0.00369 0.11 -0.0638 -0.2804 3179393 Maybridge4_002878 O=C1NCCN1CC/N=C/c2ccc(C#N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C19 compound treatment 0.374 -0.00634 -0.2 0.379 -0.00231 -0.07 -0.1895 -0.8985 3064061 Maybridge4_002879 c1c2ccccc2c3ccc(oc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C20 compound treatment 0.388 0.00766 0.24 0.395 0.0137 0.41 0.457 0.969 1357662 Maybridge4_002880 CC(C)c1ccc(NN2C(=O)CC(C2=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C21 compound treatment 0.41 0.0297 0.93 0.4 0.0187 0.55 1.0509 0.969 1704922 Maybridge4_002881 COc1cc(C)c2C3CCC4(C)C(O)CCC4C3CCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C22 compound treatment 0.359 -0.0213 -0.67 0.363 -0.0183 -0.54 -0.8583 -0.9944 1187010 Maybridge4_002882 Fc1ccc(C(=O)OCCn2ncc3ccccc3c2=O)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C23 mock treatment 0.371 -0.00934 -0.29 0.369 -0.0123 -0.36 -0.4657 -0.9942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 C24 mock treatment 0.379 -0.00134 -0.04 0.402 0.0207 0.61 0.4036 0.6568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D01 compound treatment 0.391 0.0107 0.34 0.384 0.00269 0.08 0.2932 0.8514 1248994 Maybridge4_002883 CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)CSCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D02 compound treatment 0.373 -0.00734 -0.23 0.37 -0.0113 -0.34 -0.4003 -0.9835 3064062 Maybridge4_002884 Cc1ccc(/N=C/2\SC3(CC3)C(=O)N2c4ccc(C)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D03 compound treatment 0.38 -3.44E-4 -0.01 0.377 -0.00431 -0.13 -0.098 -0.7642 3179394 Maybridge4_002885 Clc1cccc(c1)/C(=C/C=C/c2ccccc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D04 compound treatment 0.369 -0.0113 -0.36 0.368 -0.0133 -0.39 -0.5311 -0.9987 3064063 Maybridge4_002886 Clc1cccc(/N=C/2\SC3(CC3)C(=O)N2c4cccc(Cl)c4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D05 compound treatment 0.369 -0.0113 -0.36 0.36 -0.0213 -0.63 -0.6988 -0.9634 3179395 Maybridge4_002887 CCc1nn(C)c2c(=O)c(=O)c2n(C)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D06 compound treatment 0.383 0.00266 0.08 0.367 -0.0143 -0.42 -0.2408 -0.5571 3064064 Maybridge4_002888 CC1=NNC(=O)C1Oc2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D07 compound treatment 0.367 -0.0133 -0.42 0.374 -0.00731 -0.22 -0.4499 -0.9527 3179396 Maybridge4_002889 CSC(=N)Nc1c(Cl)cccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D08 compound treatment 0.401 0.0207 0.65 0.411 0.0297 0.88 1.0813 0.9889 3179397 Maybridge4_002890 Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D09 compound treatment 0.368 -0.0123 -0.39 0.382 6.88E-4 0.02 -0.26 -0.6691 3064065 Maybridge4_002891 Cc1cc(O)nc(SCC(=O)c2ccc(F)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D10 compound treatment 0.382 0.00166 0.05 0.377 -0.00431 -0.13 -0.0535 -0.388 1513804 Maybridge4_002892 CCOC(=O)c1c(C)c(ccc1N(C)C)C2NC(=O)NC=C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D11 compound treatment 0.388 0.00766 0.24 0.399 0.0177 0.52 0.5408 0.9377 3064066 Maybridge4_002893 O=C(CSc1nc2ccccc2c(=O)n1Cc3ccco3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D12 compound treatment 0.386 0.00566 0.18 0.371 -0.0103 -0.31 -0.0903 -0.2554 3179501 Maybridge4_002894 CC(C)(C)c1ccc(cc1)/C(=N/O)/N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D13 compound treatment 0.369 -0.0113 -0.36 0.377 -0.00431 -0.13 -0.3426 -0.9042 1669360 Maybridge4_002895 Clc1ccc(cc1)C(=O)Nc2cc(Cl)ccc2C(=O)OCC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D14 compound treatment 0.415 0.0347 1.09 0.39 0.00869 0.26 0.9526 0.8507 3064067 Maybridge4_002896 CC(C)Nc1nc(cc(c1C#N)C(F)(F)F)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D15 compound treatment 0.384 0.00366 0.11 0.368 -0.0133 -0.39 -0.1976 -0.481 3064068 Maybridge4_002897 S=C(NC1CCCCC1)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D16 compound treatment 0.375 -0.00534 -0.17 0.381 -3.12E-4 -0.01 -0.1254 -0.7449 1715674 Maybridge4_002898 CN(C)c1nc(cc2C(=O)NC(=O)c21)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D17 compound treatment 0.372 -0.00834 -0.26 0.375 -0.00631 -0.19 -0.3178 -0.9862 3064069 Maybridge4_002899 CN(C)/C(=N/c1cc(C)c(C)cc1C)/NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D18 compound treatment 0.389 0.00866 0.27 0.383 0.00169 0.05 0.2278 0.8232 3179502 Maybridge4_002900 COc1ccc(/N=c/2\scc(C)n2C(=O)c3ccccc3Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D19 compound treatment 0.362 -0.0183 -0.58 0.369 -0.0123 -0.36 -0.6658 -0.9756 1153907 Maybridge4_002901 COc1ccc(OCC(O)CNC(C)(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D20 compound treatment 0.374 -0.00634 -0.2 0.37 -0.0113 -0.34 -0.3781 -0.9693 3064070 Maybridge4_002902 Clc1cccc(Cl)c1c2cc(on2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D21 compound treatment 0.36 -0.0203 -0.64 0.352 -0.0293 -0.87 -1.0665 -0.9887 1636805 Maybridge4_002903 Brc1ccc(OCC2CN(C(=O)O2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D22 compound treatment 0.365 -0.0153 -0.48 0.371 -0.0103 -0.31 -0.5572 -0.9757 3064071 Maybridge4_002904 CC(C)c1nc(/N=C/N(C)C)nc(=O)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D23 mock treatment 0.362 -0.0183 -0.58 0.363 -0.0183 -0.54 -0.7915 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 D24 mock treatment 0.382 0.00166 0.05 0.382 6.88E-4 0.02 0.0512 0.9161 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E01 compound treatment 0.39 0.00966 0.3 0.392 0.0107 0.32 0.4386 0.9998 3179503 Maybridge4_002905 O=C(CSc1ccccn1)Nc2ccccc2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E02 compound treatment 0.42 0.0397 1.25 0.407 0.0257 0.76 1.4199 0.972 3179504 Maybridge4_002906 N#CC1(N=C2C=CC=CN2N=C1c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E03 compound treatment 0.81 0.43 13.51 0.388 0.00669 0.2 9.6931 0.7174 3064072 Maybridge4_002907 O=C1OC2(CCCCC2)OC(=O)C1=Cc3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E04 compound treatment 0.4 0.0197 0.62 0.411 0.0297 0.88 1.0591 0.9851 3179505 Maybridge4_002908 FC(F)(F)c1cc(nc(S/C=C/C(=O)c2ccccc2)c1C#N)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E05 compound treatment 0.371 -0.00934 -0.29 0.363 -0.0183 -0.54 -0.5914 -0.9585 3064073 Maybridge4_002909 CNS(=O)(=O)c1ccc(Br)cc1I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E06 compound treatment 0.377 -0.00334 -0.11 0.368 -0.0133 -0.39 -0.3533 -0.8654 3179506 Maybridge4_002910 CC(=O)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@H](OC(=O)C)[C@H]1OC(=O)C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E07 compound treatment 0.389 0.00866 0.27 0.392 0.0107 0.32 0.4164 0.9972 1547193 Maybridge4_002911 CCNS(=O)(=O)c1cccc2c(N)cccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E08 compound treatment 0.38 -3.44E-4 -0.01 0.387 0.00569 0.17 0.1115 0.6604 1448662 Maybridge4_002912 CCc1c(O)c(Cc2ccccc2)c(=O)n(c3nccs3)c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E09 compound treatment 0.375 -0.00534 -0.17 0.381 -3.12E-4 -0.01 -0.1254 -0.7449 3179507 Maybridge4_002913 CCOC(=O)C(C#N)C1(C(=NN(C1=O)c2ccccc2)C)c3c(C)nn(c3O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E10 compound treatment 0.417 0.0367 1.15 0.421 0.0397 1.18 1.6466 0.9999 3064074 Maybridge4_002914 Fc1ccc(cc1)C(=O)/C=C/S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E11 compound treatment 0.38 -3.44E-4 -0.01 0.375 -0.00631 -0.19 -0.1399 -0.7467 1495930 Maybridge4_002915 CC(C)C(OC(=O)c1ccccc1)c2nccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E12 compound treatment 0.384 0.00366 0.11 0.389 0.00769 0.23 0.2424 0.9499 1260619 Maybridge4_002916 COC(=O)c1sc2c(C)cc(Cl)c(C)c2c1C(=O)Oc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E13 compound treatment 0.387 0.00666 0.21 0.386 0.00469 0.14 0.2462 0.9802 1268159 Maybridge4_002917 CCn1c(=O)cc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E14 compound treatment 0.382 0.00166 0.05 0.367 -0.0143 -0.42 -0.2631 -0.6157 1134720 Maybridge4_002918 CCCCC1(COC(=O)c2ccc(OC)cc2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E15 compound treatment 0.4 0.0197 0.62 0.402 0.0207 0.61 0.8705 1.0 3063981 Maybridge4_002919 Clc1cc(Cl)c2c(=O)cc(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E16 compound treatment 0.395 0.0147 0.46 0.388 0.00669 0.2 0.466 0.9289 3063982 Maybridge4_002920 O=C(CSc1nc(SCC(=O)c2ccccc2)c3ccccc3n1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E17 compound treatment 0.394 0.0137 0.43 0.391 0.00969 0.29 0.5066 0.9808 1617223 Maybridge4_002921 Oc1c(Cc2ccccc2)c(=O)n3c4ccccc4c5cccc1c53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E18 compound treatment 0.41 0.0297 0.93 0.409 0.0277 0.82 1.2395 0.998 3063983 Maybridge4_002922 Clc1ccc(CCN2C(=O)CSC2=S)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E19 compound treatment 0.387 0.00666 0.21 0.388 0.00669 0.2 0.2881 0.9996 3179508 Maybridge4_002923 CCc1c(C)oc2cc3ccccc3c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E20 compound treatment 0.38 -3.44E-4 -0.01 0.355 -0.0263 -0.78 -0.559 -0.7168 1212790 Maybridge4_002924 O=C(CSc1nc2ccccc2c(=O)[nH]1)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E21 compound treatment 0.345 -0.0353 -1.11 0.339 -0.0423 -1.25 -1.6724 -0.9982 3179509 Maybridge4_002925 CC(OC(=O)C)C1CCC2C3CC[C@H]4CC(=O)CCC4(C)C3CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E22 compound treatment 0.365 -0.0153 -0.48 0.359 -0.0223 -0.66 -0.8087 -0.988 1296117 Maybridge4_002926 O=C(OCCn1ncc2ccccc2c1=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E23 mock treatment 0.36 -0.0203 -0.64 0.365 -0.0163 -0.48 -0.7941 -0.9905 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 E24 mock treatment 0.371 -0.00934 -0.29 0.365 -0.0163 -0.48 -0.5495 -0.9715 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F01 compound treatment 0.402 0.0217 0.68 0.394 0.0127 0.38 0.7473 0.9608 1646144 Maybridge4_002927 CCCCC1(CN2CCN(Cc3ccccc3)CC2)C(=O)N(N(C1=O)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F02 compound treatment 0.377 -0.00334 -0.11 0.389 0.00769 0.23 0.0867 0.3457 1353488 Maybridge4_002928 OC(COc1ccc(F)cc1)CS(=O)(=O)Cc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F03 compound treatment 0.372 -0.00834 -0.26 0.37 -0.0113 -0.34 -0.4225 -0.9927 3064021 Maybridge4_002929 CCc1ccc(cc1)/C(=C/C=C/c2ccccc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F04 compound treatment 0.354 -0.0263 -0.83 0.454 0.0727 2.15 0.9373 0.4062 1107774 Maybridge4_002930 Fc1ccc(NC(=S)C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F05 compound treatment 0.367 -0.0133 -0.42 0.361 -0.0203 -0.6 -0.7223 -0.9844 1733993 Maybridge4_002931 CCc1cccc(CC)c1NC(=S)Nc2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F06 compound treatment 0.373 -0.00734 -0.23 0.376 -0.00531 -0.16 -0.2746 -0.9826 3179510 Maybridge4_002932 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3=NCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F07 compound treatment 0.376 -0.00434 -0.14 0.375 -0.00631 -0.19 -0.2288 -0.9881 3064024 Maybridge4_002933 Cc1cccc(Cl)c1NC(=S)NC(Cc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F08 compound treatment 0.379 -0.00134 -0.04 0.387 0.00569 0.17 0.0893 0.5139 1491434 Maybridge4_002934 C1CN(CCO1)c2nc(ns2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F09 compound treatment 0.378 -0.00234 -0.07 0.367 -0.0143 -0.42 -0.352 -0.8177 1641045 Maybridge4_002935 CC(C)(CO)NC(=S)NCC1CCCO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F10 compound treatment 0.368 -0.0123 -0.39 0.377 -0.00431 -0.13 -0.3648 -0.8928 3179511 Maybridge4_002936 O/N=C/c1c(F)cccc1F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F11 compound treatment 0.394 0.0137 0.43 0.384 0.00269 0.08 0.3599 0.8242 3179512 Maybridge4_002937 Sc1nc2ccccc2c(=O)n1c3ccc(Cl)c(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F12 compound treatment 0.376 -0.00434 -0.14 0.381 -3.12E-4 -0.01 -0.1031 -0.7533 3064025 Maybridge4_002938 Cc1cc(nn1c2ccccc2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F13 compound treatment 0.447 0.0667 2.1 0.382 6.88E-4 0.02 1.4964 0.7139 3064027 Maybridge4_002939 Clc1ccc(cc1)C(=O)COC(=O)c2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F14 compound treatment 0.387 0.00666 0.21 0.377 -0.00431 -0.13 0.0576 0.235 3179513 Maybridge4_002940 CC(C)Sc1nc(cc(c1C#N)C(F)(F)F)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F15 compound treatment 0.394 0.0137 0.43 0.39 0.00869 0.26 0.4857 0.9701 3179514 Maybridge4_002941 CCOC(=O)c1ccc(NC(=N)SCc2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F16 compound treatment 0.411 0.0307 0.96 0.422 0.0407 1.21 1.5341 0.9939 3064028 Maybridge4_002942 Cc1onc(c1N)c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F17 compound treatment 0.374 -0.00634 -0.2 0.376 -0.00531 -0.16 -0.2524 -0.9931 3064029 Maybridge4_002943 Cc1cc(C)c(NC(=N)NN)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F18 compound treatment 0.384 0.00366 0.11 0.369 -0.0123 -0.36 -0.1767 -0.4619 3179515 Maybridge4_002944 COC(=O)c1c(noc1C(=O)NN)c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F19 compound treatment 0.381 6.56E-4 0.02 0.373 -0.00831 -0.25 -0.1596 -0.6456 1249379 Maybridge4_002945 COc1c(Cl)cccc1c2cn3ccc(C)cc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F20 compound treatment 0.41 0.0297 0.93 0.414 0.0327 0.97 1.3443 0.9998 1721352 Maybridge4_002946 Oc1nsc(Nc2ccccc2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F21 compound treatment 0.368 -0.0123 -0.39 0.363 -0.0183 -0.54 -0.6581 -0.9865 1132779 Maybridge4_002947 COc1ccc(COCC(O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F22 compound treatment 0.384 0.00366 0.11 0.359 -0.0223 -0.66 -0.3862 -0.5755 3064075 Maybridge4_002948 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F23 mock treatment 0.367 -0.0133 -0.42 0.375 -0.00631 -0.19 -0.4289 -0.9338 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 F24 mock treatment 0.397 0.0167 0.52 0.389 0.00769 0.23 0.5314 0.9305 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G01 compound treatment 0.406 0.0257 0.81 0.405 0.0237 0.7 1.0668 0.9976 1511541 Maybridge4_002949 Fc1ccc(NC(=O)C(=S)NC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G02 compound treatment 0.4 0.0197 0.62 0.398 0.0167 0.49 0.7867 0.9939 1391130 Maybridge4_002950 Clc1ccc(Nc2nnc3c4ccccc4c5ccccc5c3n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G03 compound treatment 0.421 0.0407 1.28 0.38 -0.00131 -0.04 0.8764 0.6853 3179516 Maybridge4_002951 CC1C(=NN(C1=O)c2ccccc2)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G04 compound treatment 0.506 0.126 3.95 0.537 0.156 4.61 6.0559 0.997 3179517 Maybridge4_002952 Cc1ccc2[nH]c(S/C=C/C(=O)c3ccccc3)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G05 compound treatment 0.394 0.0137 0.43 0.369 -0.0123 -0.36 0.0457 0.081 1247714 Maybridge4_002953 CNS(=O)(=O)c1c(I)ccc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G06 compound treatment 0.383 0.00266 0.08 0.448 0.0667 1.98 1.4563 0.7363 3179612 Maybridge4_002954 CC(=O)N1[C@H](SC(C)(C)[C@@H]1C(=O)O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G07 compound treatment 0.399 0.0187 0.59 0.385 0.00369 0.11 0.4921 0.8246 1286617 Maybridge4_002955 COc1cc2OC(C)(C)CC(=O)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G08 compound treatment 0.401 0.0207 0.65 0.378 -0.00331 -0.1 0.3899 0.5935 3179613 Maybridge4_002956 CC(=O)OC(C#N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G09 compound treatment 0.376 -0.00434 -0.14 0.388 0.00669 0.2 0.0435 0.1809 3064077 Maybridge4_002957 OC(=O)CCc1n[nH]c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G10 compound treatment 0.409 0.0287 0.9 0.385 0.00369 0.11 0.7144 0.7871 3064078 Maybridge4_002958 Cc1c(cnn1c2ccccc2)c3nnnn3c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G11 compound treatment 0.403 0.0227 0.71 0.377 -0.00431 -0.13 0.4134 0.5712 3179614 Maybridge4_002959 O=S(CC#N)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G12 compound treatment 0.414 0.0337 1.06 0.413 0.0317 0.94 1.4122 0.9982 3179615 Maybridge4_002960 FC(F)(F)c1cccc(OC(=O)c2cc3ccc4ccccc4c3s2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G13 compound treatment 0.424 0.0437 1.37 0.403 0.0217 0.64 1.4251 0.9402 3064081 Maybridge4_002961 CC(C)CC(C(O)c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G14 compound treatment 0.432 0.0517 1.62 0.374 -0.00731 -0.22 0.9953 0.6074 1388837 Maybridge4_002962 CCCCC1(COC(=O)Nc2cccc(Cl)c2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G15 compound treatment 0.399 0.0187 0.59 0.381 -3.12E-4 -0.01 0.4083 0.6959 3064082 Maybridge4_002963 NC1=NC(C(N1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G16 compound treatment 0.384 0.00366 0.11 0.384 0.00269 0.08 0.1376 0.9839 3179616 Maybridge4_002964 CSc1nc2ccccc2c(=O)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G17 compound treatment 0.407 0.0267 0.84 0.385 0.00369 0.11 0.6699 0.7926 3179617 Maybridge4_002965 O=c1ss/c(=N/Cc2ccccc2)/n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G18 compound treatment 0.367 -0.0133 -0.42 0.351 -0.0303 -0.9 -0.9318 -0.9399 3064083 Maybridge4_002966 S=C(NCC1CC1)NCc2csc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G19 compound treatment 0.398 0.0177 0.56 0.396 0.0147 0.44 0.7003 0.9927 1378931 Maybridge4_002967 C(NC1CCCCC1)C(CNC2CCCCC2)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G20 compound treatment 0.373 -0.00734 -0.23 0.354 -0.0273 -0.81 -0.7356 -0.874 3064084 Maybridge4_002968 CC(C)(C)c1ccc(NC(=O)c2cnccn2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G21 compound treatment 0.376 -0.00434 -0.14 0.374 -0.00731 -0.22 -0.2498 -0.9752 1050158 Maybridge4_002969 COc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G22 compound treatment 0.385 0.00466 0.15 0.376 -0.00531 -0.16 -0.0078 -0.0362 1218870 Maybridge4_002970 O=C(Nc1cccnc1)c2cc3CCc4ccccc4-c3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G23 mock treatment 0.383 0.00266 0.08 0.365 -0.0163 -0.48 -0.2827 -0.5764 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 G24 mock treatment 0.39 0.00966 0.3 0.378 -0.00331 -0.1 0.1453 0.4553 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H01 compound treatment 0.402 0.0217 0.68 0.406 0.0247 0.73 0.9988 0.9994 1264780 Maybridge4_002971 COc1ccc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)c(n1)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H02 compound treatment 0.401 0.0207 0.65 0.393 0.0117 0.35 0.7042 0.9566 1569864 Maybridge4_002972 COc1ccc(COCC(O)CS(=O)(=O)Cc2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H03 compound treatment 0.361 -0.0193 -0.61 0.372 -0.00931 -0.28 -0.6252 -0.9361 1169171 Maybridge4_002973 OCCNN1C(=O)c2cccc3cccc(C1=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H04 compound treatment 0.385 0.00466 0.15 0.351 -0.0303 -0.9 -0.5316 -0.5841 1600308 Maybridge4_002974 Cc1onc(c1C2=NCCO2)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H05 compound treatment 0.371 -0.00934 -0.29 0.357 -0.0243 -0.72 -0.7172 -0.9218 3179618 Maybridge4_002975 Cc1cccc(C)c1Nc2nc3c(C)cc(C)c(C)c3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H06 compound treatment 0.369 -0.0113 -0.36 0.364 -0.0173 -0.51 -0.615 -0.9842 1417835 Maybridge4_002976 OC1CCCCC1S(=O)(=O)Cc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H07 compound treatment 0.345 -0.0353 -1.11 0.337 -0.0443 -1.31 -1.7143 -0.9966 3064223 Maybridge4_002977 CCC(CO)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H08 compound treatment 0.387 0.00666 0.21 0.372 -0.00931 -0.28 -0.0471 -0.1361 3179619 Maybridge4_002978 Clc1ccc2oc(=S)n(Cc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H09 compound treatment 0.372 -0.00834 -0.26 0.379 -0.00231 -0.07 -0.234 -0.8628 3064225 Maybridge4_002979 CNC(=S)NCCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H10 compound treatment 0.375 -0.00534 -0.17 0.372 -0.00931 -0.28 -0.3139 -0.9717 3179620 Maybridge4_002980 O=C(OCc1ccc2OCOc2c1)OCc3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H11 compound treatment 0.378 -0.00234 -0.07 0.369 -0.0123 -0.36 -0.3101 -0.8331 3179621 Maybridge4_002981 Cc1cc(C)nc(NC(=S)c2ccc(NC(=O)/C=C/C(=O)O)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H12 compound treatment 0.386 0.00566 0.18 0.372 -0.00931 -0.28 -0.0694 -0.2113 3064227 Maybridge4_002982 NC(=N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H13 compound treatment 0.386 0.00566 0.18 0.381 -3.12E-4 -0.01 0.1192 0.6694 1447884 Maybridge4_002983 COc1cccc(C(=O)OCC(=O)c2ccccc2)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H14 compound treatment 0.39 0.00966 0.3 0.391 0.00969 0.29 0.4177 0.9996 3179622 Maybridge4_002984 CCOC(=O)c1cc(nc(S)c1C#N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H15 compound treatment 0.397 0.0167 0.52 0.384 0.00269 0.08 0.4266 0.8054 2077819 Maybridge4_002985 C[n+]1c(NC2CCCCC2)scc1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H16 compound treatment 0.4 0.0197 0.62 0.409 0.0277 0.82 1.0172 0.9902 1009495 Maybridge4_002986 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H17 compound treatment 0.35 -0.0303 -0.95 0.347 -0.0343 -1.02 -1.3936 -0.9995 3179623 Maybridge4_002987 CCc1ccc(NC(=N)NC(=N)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H18 compound treatment 0.384 0.00366 0.11 0.374 -0.00731 -0.22 -0.0719 -0.2932 1395086 Maybridge4_002988 Cc1nc(nc(O)c1Cl)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H19 compound treatment 0.373 -0.00734 -0.23 0.37 -0.0113 -0.34 -0.4003 -0.9835 1725570 Maybridge4_002989 CC(C)(C)C(=O)Nc1ccc(cc1)c2cc3cc(Cl)ccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H20 compound treatment 0.412 0.0317 1.0 0.406 0.0247 0.73 1.2211 0.9885 1661405 Maybridge4_002990 Cc1ccc(NC(=S)C(C#N)C(=O)N)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H21 compound treatment 0.374 -0.00634 -0.2 0.363 -0.0183 -0.54 -0.5247 -0.9077 1723738 Maybridge4_002991 Clc1ccc(N2C(CC(=O)NC2=S)c3ccccc3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H22 compound treatment 0.384 0.00366 0.11 0.361 -0.0203 -0.6 -0.3443 -0.5619 3179624 Maybridge4_002992 OCc1noc(n1)c2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H23 mock treatment 0.369 -0.0113 -0.36 0.366 -0.0153 -0.45 -0.5731 -0.9929 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 H24 mock treatment 0.404 0.0237 0.74 0.396 0.0147 0.44 0.8337 0.9674 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I01 compound treatment 0.435 0.0547 1.72 0.443 0.0617 1.83 2.5077 0.9995 1401560 Maybridge4_002993 Clc1ccc(NC(=O)Nc2ccccc2)c(SCc3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I02 compound treatment 0.393 0.0127 0.4 0.382 6.88E-4 0.02 0.2958 0.7423 1509609 Maybridge4_002994 CCSc1nnc2nc3c4ccccc4c5ccccc5c3nn12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I03 compound treatment 0.414 0.0337 1.06 0.421 0.0397 1.18 1.5799 0.9986 3179625 Maybridge4_002995 O=C/1N(N=C(Nc2ccccc2)\C1=C\Nc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I04 compound treatment 0.397 0.0167 0.52 0.397 0.0157 0.46 0.699 0.9982 3064579 Maybridge4_002996 Cn1cnnc1S/C=C/C(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I05 compound treatment 0.377 -0.00334 -0.11 0.372 -0.00931 -0.28 -0.2695 -0.9125 1063036 Maybridge4_002997 COc1cc(c(OC)cc1C(C)(C)C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I06 compound treatment 0.355 -0.0253 -0.8 0.347 -0.0343 -1.02 -1.2824 -0.9927 3179626 Maybridge4_002998 CSc1ccc(cc1)C2N[C@@H](C(=O)O)C(C)(C)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I07 compound treatment 0.371 -0.00934 -0.29 0.369 -0.0123 -0.36 -0.4657 -0.9942 1248980 Maybridge4_002999 CCNS(=O)(=O)c1ccc(cc1)c2oc3cc(ccc3c2Cl)S(=O)(=O)NCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I08 compound treatment 0.375 -0.00534 -0.17 0.378 -0.00331 -0.1 -0.1882 -0.9672 3064580 Maybridge4_003000 O=C/1N2CCCCSC2=N\C1=C\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I09 compound treatment 0.378 -0.00234 -0.07 0.382 6.88E-4 0.02 -0.0377 -0.4931 1326747 Maybridge4_003001 CN(C)c1ccc(cc1)C2Nc3[nH]nc(C)c3C4=C2C(=O)CCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I10 compound treatment 0.387 0.00666 0.21 0.364 -0.0173 -0.51 -0.2147 -0.3876 3179627 Maybridge4_003002 S=c1[nH]nc(c2ccccc2)c(c1C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I11 compound treatment 0.386 0.00566 0.18 0.374 -0.00731 -0.22 -0.0275 -0.0979 3063889 Maybridge4_003003 COc1ccc2CC(=O)CCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I12 compound treatment 0.392 0.0117 0.37 0.395 0.0137 0.41 0.546 0.9987 1333404 Maybridge4_003004 CCCC1C2C(ON1c3ccc(Cl)c(Cl)c3)C(=O)N(C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I13 compound treatment 0.408 0.0277 0.87 0.399 0.0177 0.52 0.9855 0.9706 3063891 Maybridge4_003005 CC(C)CC(C(=O)c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I14 compound treatment 0.395 0.0147 0.46 0.386 0.00469 0.14 0.4241 0.8811 1366549 Maybridge4_003006 Clc1cc(Cl)cc(c1)N2C(=O)CC(C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I15 compound treatment 0.375 -0.00534 -0.17 0.368 -0.0133 -0.39 -0.3977 -0.9277 1552090 Maybridge4_003007 O=c1c(coc2ccccc12)c3nnn[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I16 compound treatment 0.373 -0.00734 -0.23 0.377 -0.00431 -0.13 -0.2536 -0.9611 1232818 Maybridge4_003008 CSc1nc2ccccc2c(=O)n1CC(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I17 compound treatment 0.369 -0.0113 -0.36 0.377 -0.00431 -0.13 -0.3426 -0.9042 3063892 Maybridge4_003009 COc1cc2ccc(=O)oc2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I18 compound treatment 0.403 0.0227 0.71 0.57 0.189 5.59 4.4572 0.7908 3063893 Maybridge4_003010 CN/1\C(=N/C(=O)C)\NC(=O)\C1=C/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I19 compound treatment 0.388 0.00766 0.24 0.391 0.00969 0.29 0.3732 0.9962 1630014 Maybridge4_003011 NC(CCc1ccccc1Cl)c2ccc3OCCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I20 compound treatment 0.381 6.56E-4 0.02 0.385 0.00369 0.11 0.0919 0.826 1530797 Maybridge4_003012 CCC1(CC)COC2(OC1)C(=O)Nc3ccc(F)cc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I21 compound treatment 0.393 0.0127 0.4 0.402 0.0207 0.61 0.7149 0.9781 3063895 Maybridge4_003013 Cc1cc(oc2cc3ccccc3c12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I22 compound treatment 0.356 -0.0243 -0.77 0.357 -0.0243 -0.72 -1.0507 -0.9995 3179717 Maybridge4_003014 Cc1cccc(c1)n2ncc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I23 mock treatment 0.372 -0.00834 -0.26 0.358 -0.0233 -0.69 -0.674 -0.9121 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 I24 mock treatment 0.37 -0.0103 -0.33 0.379 -0.00231 -0.07 -0.2784 -0.8377 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J01 compound treatment 0.379 -0.00134 -0.04 0.399 0.0177 0.52 0.3407 0.648 1715355 Maybridge4_003015 OC(=O)COCC(=O)Nc1cnccn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J02 compound treatment 0.383 0.00266 0.08 0.376 -0.00531 -0.16 -0.0523 -0.2932 1137874 Maybridge4_003016 Cc1cccc(C)c1n2c(n[nH]c2=S)C3CC4CCC3O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J03 compound treatment 0.379 -0.00134 -0.04 0.379 -0.00231 -0.07 -0.0783 -0.973 1593696 Maybridge4_003017 CN(C)N1C(=O)c2cccc3cccc(C1=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J04 compound treatment 0.371 -0.00934 -0.29 0.391 0.00969 0.29 -0.0048 -0.0116 3063897 Maybridge4_003018 CC(=O)Nc1ccc(Br)c(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J05 compound treatment 0.391 0.0107 0.34 0.369 -0.0123 -0.36 -0.021 -0.0425 1249809 Maybridge4_003019 CC(C)c1ccc(Nc2nnns2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J06 compound treatment 0.407 0.0267 0.84 0.395 0.0137 0.41 0.8795 0.9445 1591476 Maybridge4_003020 CCN(CC)c1nc2ccccc2c(=O)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J07 compound treatment 0.377 -0.00334 -0.11 0.369 -0.0123 -0.36 -0.3323 -0.8753 1593840 Maybridge4_003021 CCN(CC)C(=S)Oc1ccccc1C(=O)Nc2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J08 compound treatment 0.379 -0.00134 -0.04 0.374 -0.00731 -0.22 -0.1831 -0.8294 3063932 Maybridge4_003022 Clc1cc(Cl)cc(Oc2nc(ns2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J09 compound treatment 0.371 -0.00934 -0.29 0.38 -0.00131 -0.04 -0.2352 -0.7938 1389101 Maybridge4_003023 OC(=O)CCC(=O)Nc1cccc(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J10 compound treatment 0.371 -0.00934 -0.29 0.371 -0.0103 -0.31 -0.4238 -0.9998 3063933 Maybridge4_003024 Cc1nc(S)c(C#N)c(C)c1CCC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J11 compound treatment 0.402 0.0217 0.68 0.386 0.00469 0.14 0.5797 0.8342 3179718 Maybridge4_003025 Cc1nnc(Nc2cccc(Cl)c2C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J12 compound treatment 0.358 -0.0223 -0.7 0.354 -0.0273 -0.81 -1.0691 -0.9975 3063934 Maybridge4_003026 CNC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J13 compound treatment 0.39 0.00966 0.3 0.381 -3.12E-4 -0.01 0.2081 0.6852 1446584 Maybridge4_003027 Cc1cc(Br)ccc1NC(=S)Nc2cccc(NC(=O)c3ccccc3O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J14 compound treatment 0.395 0.0147 0.46 0.385 0.00369 0.11 0.4031 0.8512 3179719 Maybridge4_003028 CCOC(=O)c1cc(nc(O)c1C#N)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J15 compound treatment 0.381 6.56E-4 0.02 0.378 -0.00331 -0.1 -0.0548 -0.5465 3063936 Maybridge4_003029 O=c1cc(nc2scc(c3ccccc3)n12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J16 compound treatment 0.398 0.0177 0.56 0.397 0.0157 0.46 0.7213 0.9961 3179720 Maybridge4_003030 CCOC(=O)NC(=S)Nc1ccc(cc1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J17 compound treatment 0.383 0.00266 0.08 0.371 -0.0103 -0.31 -0.157 -0.4957 3063937 Maybridge4_003031 Cc1nc(S)nc(O)c1CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J18 compound treatment 0.385 0.00466 0.15 0.382 6.88E-4 0.02 0.1179 0.7978 3179721 Maybridge4_003032 Sc1nnc([nH]1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J19 compound treatment 0.384 0.00366 0.11 0.375 -0.00631 -0.19 -0.051 -0.2322 3063939 Maybridge4_003033 COc1ccc(CCn2c(=S)[nH]c3cc(ccc23)C(F)(F)F)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J20 compound treatment 0.378 -0.00234 -0.07 0.375 -0.00631 -0.19 -0.1844 -0.9171 3179722 Maybridge4_003034 N#Cc1ccc(cc1)C2SCCCS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J21 compound treatment 0.384 0.00366 0.11 0.374 -0.00731 -0.22 -0.0719 -0.2932 3179723 Maybridge4_003035 FC(F)(F)c1cccc(c1)N2C(CC(=O)NC2=S)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J22 compound treatment 0.365 -0.0153 -0.48 0.386 0.00469 0.14 -0.2429 -0.4839 3063940 Maybridge4_003036 Oc1nnc(n2cccc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J23 mock treatment 0.358 -0.0223 -0.7 0.373 -0.00831 -0.25 -0.671 -0.9012 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 J24 mock treatment 0.389 0.00866 0.27 0.401 0.0197 0.58 0.605 0.9398 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K01 compound treatment 0.365 -0.0153 -0.48 0.399 0.0177 0.52 0.0294 0.0413 1466072 Maybridge4_003037 CC(C)(C)c1ccc(CSCC(=O)Nc2ccccc2C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K02 compound treatment 0.378 -0.00234 -0.07 0.386 0.00469 0.14 0.0461 0.2932 1417054 Maybridge4_003038 COc1ccc(Cc2nc(n[nH]c2=S)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K03 compound treatment 0.371 -0.00934 -0.29 0.364 -0.0173 -0.51 -0.5705 -0.965 1566854 Maybridge4_003039 Cc1ccc(C(=O)Nc2ccccc2)c(C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K04 compound treatment 0.393 0.0127 0.4 0.388 0.00669 0.2 0.4215 0.9482 1404328 Maybridge4_003040 CCC1(CC)C(=O)c2cc3ccccc3cc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K05 compound treatment 0.379 -0.00134 -0.04 0.378 -0.00331 -0.1 -0.0993 -0.9291 1489684 Maybridge4_003041 CNC(=O)c1ccccc1Sc2ccccc2C(=O)NC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K06 compound treatment 0.355 -0.0253 -0.8 0.368 -0.0133 -0.39 -0.8424 -0.9474 3179724 Maybridge4_003042 NC(=N)/N=C(\N)/Nc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K07 compound treatment 0.421 0.0407 1.28 0.405 0.0237 0.7 1.4003 0.9601 3063986 Maybridge4_003043 COC(=O)c1c2ccccc2c(C)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K08 compound treatment 0.476 0.0957 3.01 0.479 0.0977 2.89 4.1736 0.9998 3179725 Maybridge4_003044 COc1ccc(/C=C\2/N=C3SC(C)C(=O)N3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K09 compound treatment 0.415 0.0347 1.09 0.39 0.00869 0.26 0.9526 0.8507 3063988 Maybridge4_003045 C/C(=C\c1ccccc1)/C(=N/O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K10 compound treatment 0.395 0.0147 0.46 0.382 6.88E-4 0.02 0.3403 0.7376 3179726 Maybridge4_003046 N#C/C(=C\C(=C\N1CCOCC1)\c2ccccc2)/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K11 compound treatment 0.393 0.0127 0.4 0.383 0.00169 0.05 0.3168 0.7897 1700846 Maybridge4_003047 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2ccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K12 compound treatment 0.389 0.00866 0.27 0.369 -0.0123 -0.36 -0.0655 -0.1439 1550463 Maybridge4_003048 O=C1CSCC(=O)N1c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K13 compound treatment 0.382 0.00166 0.05 0.377 -0.00431 -0.13 -0.0535 -0.388 1209004 Maybridge4_003049 COC(=O)C1=C(O)C2(CC(=C(O)C(C1)(C2)C(=O)O)C(=O)OC)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K14 compound treatment 0.398 0.0177 0.56 0.396 0.0147 0.44 0.7003 0.9927 3063990 Maybridge4_003050 FC(F)(F)Oc1ccc(/N=c/2\[nH]c(=O)c3ccccc3o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K15 compound treatment 0.383 0.00266 0.08 0.385 0.00369 0.11 0.1363 0.9912 3179727 Maybridge4_003051 FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K16 compound treatment 0.415 0.0347 1.09 0.388 0.00669 0.2 0.9107 0.8222 3063992 Maybridge4_003052 COC(=O)/C=C\1/NCC(CNC1=O)OC(=O)c2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K17 compound treatment 0.397 0.0167 0.52 0.381 -3.12E-4 -0.01 0.3638 0.6945 1628564 Maybridge4_003053 C1Cc2nc(ccc2-c3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K18 compound treatment 0.39 0.00966 0.3 0.391 0.00969 0.29 0.4177 0.9996 3179728 Maybridge4_003054 CC1CC(CC(C)(C)C1)NC(=S)Nc2ccc(I)cc2F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K19 compound treatment 0.377 -0.00334 -0.11 0.364 -0.0173 -0.51 -0.4371 -0.8347 3063993 Maybridge4_003055 Cn1c(=O)n(C)c2ncn(CCCCn3cnc4n(C)c(=O)n(C)c(=O)c34)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K20 compound treatment 0.387 0.00666 0.21 0.366 -0.0153 -0.45 -0.1728 -0.3459 3179729 Maybridge4_003056 CSc1cccc(c1)N2C(=O)C3CC=C(C)CC3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K21 compound treatment 0.369 -0.0113 -0.36 0.369 -0.0123 -0.36 -0.5102 -0.9999 1568172 Maybridge4_003057 OCC(C(O)c1ccccc1)N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K22 compound treatment 0.356 -0.0243 -0.77 0.361 -0.0203 -0.6 -0.9669 -0.9929 1396421 Maybridge4_003058 NNC(=O)c1cc2CCc3ccccc3-c2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K23 mock treatment 0.367 -0.0133 -0.42 0.364 -0.0173 -0.51 -0.6594 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 K24 mock treatment 0.385 0.00466 0.15 0.383 0.00169 0.05 0.1389 0.8977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L01 compound treatment 0.395 0.0147 0.46 0.397 0.0157 0.46 0.6546 1.0 3179730 Maybridge4_003059 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)Cc3c(O)c4ccccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L02 compound treatment 0.369 -0.0113 -0.36 0.37 -0.0113 -0.34 -0.4892 -0.9995 3063994 Maybridge4_003060 FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)CC3(CCCC3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L03 compound treatment 0.369 -0.0113 -0.36 0.369 -0.0123 -0.36 -0.5102 -0.9999 3179731 Maybridge4_003061 CCOc1ccc(Br)cc1/C=N/c2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L04 compound treatment 0.366 -0.0143 -0.45 0.352 -0.0293 -0.87 -0.9331 -0.9534 1505741 Maybridge4_003062 CC(C)c1ccc(NS(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L05 compound treatment 0.375 -0.00534 -0.17 0.373 -0.00831 -0.25 -0.293 -0.9826 3064031 Maybridge4_003063 Nc1ccccc1NC(=S)Nc2ccccc2C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L06 compound treatment 0.374 -0.00634 -0.2 0.375 -0.00631 -0.19 -0.2733 -0.9995 3064032 Maybridge4_003064 CN(C)c1nc2ccccc2c(=O)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L07 compound treatment 0.368 -0.0123 -0.39 0.365 -0.0163 -0.48 -0.6162 -0.9941 3179732 Maybridge4_003065 CCN(CC)C(=S)Oc1ccc(I)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L08 compound treatment 0.371 -0.00934 -0.29 0.367 -0.0143 -0.42 -0.5076 -0.9839 3179733 Maybridge4_003066 FC(F)(F)c1cc(Cl)c2nc(cn2c1)C(=O)NC(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L09 compound treatment 0.391 0.0107 0.34 0.383 0.00169 0.05 0.2723 0.8037 1015049 Maybridge4_003067 CC(=O)Nc1ccc(Cl)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L10 compound treatment 0.376 -0.00434 -0.14 0.377 -0.00431 -0.13 -0.1869 -0.9994 3064035 Maybridge4_003068 CCOC(=O)/C(=N/O)/C1=NN=C(N)SC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L11 compound treatment 0.384 0.00366 0.11 0.375 -0.00631 -0.19 -0.051 -0.2322 3179734 Maybridge4_003069 CC(C)Nc1nnc(C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L12 compound treatment 0.382 0.00166 0.05 0.377 -0.00431 -0.13 -0.0535 -0.388 3064037 Maybridge4_003070 CN(C)C(=O)Nc1cc(C)n(n1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L13 compound treatment 0.404 0.0237 0.74 0.411 0.0297 0.88 1.148 0.9965 3179735 Maybridge4_003071 Cc1cccc(C)c1/N=C/2\NC(C)(CO)CS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L14 compound treatment 0.417 0.0367 1.15 0.413 0.0317 0.94 1.4789 0.9948 1316254 Maybridge4_003072 Cc1cc2C(=O)NC(=O)c2c(Sc3ccc(Cl)cc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L15 compound treatment 0.379 -0.00134 -0.04 0.372 -0.00931 -0.28 -0.225 -0.806 3064038 Maybridge4_003073 Clc1ccc(cc1)c2csc3nc(cc(=O)n23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L16 compound treatment 0.382 0.00166 0.05 0.38 -0.00131 -0.04 0.0093 0.1435 1158628 Maybridge4_003074 CNC(=O)Nc1ccc(cc1Br)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L17 compound treatment 0.396 0.0157 0.49 0.379 -0.00231 -0.07 0.2996 0.6029 3064039 Maybridge4_003075 FC(F)(F)c1cc(cc(c1)C(F)(F)F)n2c(S)nc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L18 compound treatment 0.406 0.0257 0.81 0.402 0.0207 0.61 1.0039 0.9908 1188106 Maybridge4_003076 Clc1cccc(Cl)c1c2nscc2NC(=O)NN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L19 compound treatment 0.39 0.00966 0.3 0.391 0.00969 0.29 0.4177 0.9996 3064040 Maybridge4_003077 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2cn3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L20 compound treatment 0.417 0.0367 1.15 0.406 0.0247 0.73 1.3323 0.9759 3178150 Maybridge4_003078 CNC(=O)Oc1ccc(cc1)c2nc(CSc3ccc(Cl)cc3)cs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L21 compound treatment 0.409 0.0287 0.9 0.406 0.0247 0.73 1.1544 0.9947 1216087 Maybridge4_003079 CC(C)c1ccc(NCC(O)CSc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L22 compound treatment 0.407 0.0267 0.84 0.393 0.0117 0.35 0.8376 0.9235 3064086 Maybridge4_003080 OCc1nc(cs1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L23 mock treatment 0.362 -0.0183 -0.58 0.361 -0.0203 -0.6 -0.8335 -0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 L24 mock treatment 0.391 0.0107 0.34 0.394 0.0127 0.38 0.5028 0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M01 compound treatment 0.447 0.0667 2.1 0.446 0.0647 1.92 2.8374 0.999 1228182 Maybridge4_003081 O=C(Nc1ccc2OCOc2c1)C(=S)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M02 compound treatment 0.381 6.56E-4 0.02 0.38 -0.00131 -0.04 -0.0129 -0.2932 3064088 Maybridge4_003082 CCOC(=O)CSc1nnc(c2ccccc2)c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M03 compound treatment 0.39 0.00966 0.3 0.382 6.88E-4 0.02 0.2291 0.7529 3178151 Maybridge4_003083 CC1(C)OC(=O)C(=Cc2ccoc2)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M04 compound treatment 0.394 0.0137 0.43 0.382 6.88E-4 0.02 0.318 0.7398 3178152 Maybridge4_003084 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)/C(=C/c5ccccc5)/CC4(C)C3CCC21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M05 compound treatment 0.388 0.00766 0.24 0.372 -0.00931 -0.28 -0.0249 -0.068 2077623 Maybridge4_003085 CNC(=O)c1ccccc1[S+]2N(C)C(=O)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M06 compound treatment 0.393 0.0127 0.4 0.371 -0.0103 -0.31 0.0653 0.1302 3064090 Maybridge4_003086 Cc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M07 compound treatment 0.378 -0.00234 -0.07 0.367 -0.0143 -0.42 -0.352 -0.8177 3064091 Maybridge4_003087 FC(F)(F)C(=O)N1CCCc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M08 compound treatment 0.633 0.253 7.94 0.608 0.227 6.72 10.3672 0.9965 3178153 Maybridge4_003088 CN(C)/C=C/C=C/1\N=C(OC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M09 compound treatment 0.379 -0.00134 -0.04 0.378 -0.00331 -0.1 -0.0993 -0.9291 1045240 Maybridge4_003089 O(c1ccccc1)c2nc(Oc3ccccc3)nc(Oc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M10 compound treatment 0.371 -0.00934 -0.29 0.383 0.00169 0.05 -0.1724 -0.5784 1341049 Maybridge4_003090 Oc1c(Cc2ccccc2)c(=O)n(c3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M11 compound treatment 0.338 -0.0423 -1.33 0.346 -0.0353 -1.05 -1.6814 -0.9929 1250198 Maybridge4_003091 CCN1c2cc(NC(=O)CC)ccc2C(C)CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M12 compound treatment 0.379 -0.00134 -0.04 0.378 -0.00331 -0.1 -0.0993 -0.9291 1276296 Maybridge4_003092 COC(=O)c1cc(=O)n2CCSc2c1C(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M13 compound treatment 0.399 0.0187 0.59 0.395 0.0137 0.41 0.7016 0.9838 1660543 Maybridge4_003093 CCC(C)c1cc(N)nc2nc3ccccc3n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M14 compound treatment 0.386 0.00566 0.18 0.37 -0.0113 -0.34 -0.1113 -0.2932 1341769 Maybridge4_003094 Fc1ccc(cc1)N2C(=O)CC(C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M15 compound treatment 0.509 0.129 4.05 0.596 0.215 6.36 7.3588 0.9761 3178154 Maybridge4_003095 CCOC(=O)CCc1c(CC(=O)OCC)c[nH]c1/C=N/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M16 compound treatment 0.423 0.0427 1.34 0.434 0.0527 1.56 2.0524 0.9971 3064093 Maybridge4_003096 OC(=O)c1ccccc1SC(CC(=O)c2ccc(F)cc2)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M17 compound treatment 0.421 0.0407 1.28 0.415 0.0337 1.0 1.6098 0.9925 3178155 Maybridge4_003097 Clc1ccccc1N/C=C\C2=NN=NC2c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M18 compound treatment 0.398 0.0177 0.56 0.393 0.0117 0.35 0.6375 0.9742 3064095 Maybridge4_003098 CN(C)NC(=S)NCc1ccc(F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M19 compound treatment 0.403 0.0227 0.71 0.399 0.0177 0.52 0.8743 0.9886 3178156 Maybridge4_003099 CC(=O)OC1CCC2C3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)C4(C)C3CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M20 compound treatment 0.373 -0.00734 -0.23 0.379 -0.00231 -0.07 -0.2117 -0.8791 1273753 Maybridge4_003100 S=C(N1CCN(Cc2ccccc2)CC1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M21 compound treatment 0.408 0.0277 0.87 0.402 0.0207 0.61 1.0484 0.9854 3064162 Maybridge4_003101 CCOC(=O)/N=C(/c1ccc(Cl)cc1)\c2cc3ccccc3cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M22 compound treatment 0.397 0.0167 0.52 0.401 0.0197 0.58 0.7828 0.9986 1623253 Maybridge4_003102 CCOC(=O)CC(Sc1ccccc1N)c2cc(OC)c(OC)c(OC)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M23 mock treatment 0.38 -3.44E-4 -0.01 0.394 0.0127 0.38 0.2582 0.6865 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 M24 mock treatment 0.386 0.00566 0.18 0.404 0.0227 0.67 0.6011 0.8644 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N01 compound treatment 0.496 0.116 3.64 0.473 0.0917 2.72 4.4926 0.9897 3178157 Maybridge4_003103 CN(C)c1ccc(/C=C(\C#N)/c2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N02 compound treatment 0.366 -0.0143 -0.45 0.379 -0.00231 -0.07 -0.3674 -0.8053 3178158 Maybridge4_003104 FC(F)(F)Oc1ccc(OCc2n[nH]c(=S)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N03 compound treatment 0.406 0.0257 0.81 0.406 0.0247 0.73 1.0877 0.9988 1090055 Maybridge4_003105 CC(C)c1ccc(cc1)N2Cc3cc(ccc3N=C2)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N04 compound treatment 0.372 -0.00834 -0.26 0.367 -0.0143 -0.42 -0.4854 -0.9733 3064190 Maybridge4_003106 FC(F)(F)Oc1ccc(OC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N05 compound treatment 0.384 0.00366 0.11 0.374 -0.00731 -0.22 -0.0719 -0.2932 3178159 Maybridge4_003107 Cc1cc(Cl)ccc1NC(=N)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N06 compound treatment 0.402 0.0217 0.68 0.397 0.0157 0.46 0.8102 0.9827 3178160 Maybridge4_003108 FC(F)(F)c1cnc(NCCNC(=O)C(F)(F)Sc2ccccc2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N07 compound treatment 0.369 -0.0113 -0.36 0.369 -0.0123 -0.36 -0.5102 -0.9999 3064194 Maybridge4_003109 CCN(CC)C(=S)Oc1ccc(C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N08 compound treatment 0.397 0.0167 0.52 0.366 -0.0153 -0.45 0.0495 0.0714 3064195 Maybridge4_003110 CC(C)(C)CC(C)(C)NC(=O)c1cccc(/N=C/c2ccccc2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N09 compound treatment 0.391 0.0107 0.34 0.389 0.00769 0.23 0.398 0.9823 1463402 Maybridge4_003111 CCc1ccccc1NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N10 compound treatment 0.432 0.0517 1.62 0.421 0.0397 1.18 1.9801 0.9874 3064198 Maybridge4_003112 Clc1ccc(SC(=S)NC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N11 compound treatment 0.364 -0.0163 -0.51 0.373 -0.00831 -0.25 -0.5376 -0.9433 1288025 Maybridge4_003113 Clc1ccc(cc1)C(=O)COC(=O)c2ccccc2NCc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N12 compound treatment 0.388 0.00766 0.24 0.401 0.0197 0.58 0.5827 0.9234 3064199 Maybridge4_003114 OC(=O)c1cc(O)nc2c(cccc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N13 compound treatment 0.418 0.0377 1.18 0.423 0.0417 1.24 1.7107 0.9998 3178161 Maybridge4_003115 CC1CCCC(C)N1C(=S)NCCCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N14 compound treatment 0.398 0.0177 0.56 0.376 -0.00531 -0.16 0.2813 0.4874 3178162 Maybridge4_003116 CCOC(=O)c1cc(nc(OC(=O)N(C)C)c1C#N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N15 compound treatment 0.384 0.00366 0.11 0.374 -0.00731 -0.22 -0.0719 -0.2932 3064201 Maybridge4_003117 COc1ccc(/N=C/2\SCC(=O)N2CCc3ccc(OC)c(OC)c3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N16 compound treatment 0.386 0.00566 0.18 0.372 -0.00931 -0.28 -0.0694 -0.2113 3178163 Maybridge4_003118 Clc1cn(CCC#N)cc(Cl)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N17 compound treatment 0.367 -0.0133 -0.42 0.368 -0.0133 -0.39 -0.5756 -0.9995 3064203 Maybridge4_003119 CC1=NNC(=O)C1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N18 compound treatment 0.382 0.00166 0.05 0.389 0.00769 0.23 0.1979 0.8469 1440599 Maybridge4_003120 CCOC(=O)Cn1c(noc1=O)c2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N19 compound treatment 0.376 -0.00434 -0.14 0.383 0.00169 0.05 -0.0612 -0.4209 3178164 Maybridge4_003121 Cc1cc(C)c(OC(=O)/C=C/c2cccs2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N20 compound treatment 0.372 -0.00834 -0.26 0.375 -0.00631 -0.19 -0.3178 -0.9862 3064205 Maybridge4_003122 CSc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N21 compound treatment 0.418 0.0377 1.18 0.415 0.0337 1.0 1.5431 0.9964 1468063 Maybridge4_003123 CC(C)c1ccc(NCC(O)COc2ccc(Cl)c(Cl)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N22 compound treatment 0.371 -0.00934 -0.29 0.365 -0.0163 -0.48 -0.5495 -0.9715 3064206 Maybridge4_003124 O=C1CNC(=S)N1CCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N23 mock treatment 0.361 -0.0193 -0.61 0.378 -0.00331 -0.1 -0.4995 -0.8107 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 N24 mock treatment 0.395 0.0147 0.46 0.396 0.0147 0.44 0.6336 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O01 compound treatment 0.414 0.0337 1.06 0.431 0.0497 1.47 1.7894 0.9869 1118081 Maybridge4_003125 NNC(=O)CNc1ccc2OCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O02 compound treatment 0.425 0.0447 1.4 0.428 0.0467 1.38 1.9711 1.0 3178165 Maybridge4_003126 CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(C)cc2)nc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O03 compound treatment 0.378 -0.00234 -0.07 0.402 0.0207 0.61 0.3813 0.6177 1121873 Maybridge4_003127 OC(=O)c1ccccc1S(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O04 compound treatment 0.389 0.00866 0.27 0.395 0.0137 0.41 0.4793 0.9812 3064232 Maybridge4_003128 Clc1ccc(cc1)C(=O)O/C=C/C(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O05 compound treatment 0.369 -0.0113 -0.36 0.389 0.00769 0.23 -0.0911 -0.2154 3178166 Maybridge4_003129 CNC(=O)c1cccc2cccc(Br)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O06 compound treatment 0.378 -0.00234 -0.07 0.38 -0.00131 -0.04 -0.0796 -0.9554 3178167 Maybridge4_003130 COc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O07 compound treatment 0.387 0.00666 0.21 0.377 -0.00431 -0.13 0.0576 0.235 3064235 Maybridge4_003131 N#CN=C(NC1CCCCC1)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O08 compound treatment 0.427 0.0467 1.47 0.434 0.0527 1.56 2.1413 0.9995 3178168 Maybridge4_003132 Fc1ccc(cc1)C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O09 compound treatment 0.404 0.0237 0.74 0.392 0.0107 0.32 0.7499 0.9276 1715504 Maybridge4_003133 CN1C(=O)C(Cc2ccccc2)(c3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O10 compound treatment 0.382 0.00166 0.05 0.38 -0.00131 -0.04 0.0093 0.1435 1565110 Maybridge4_003134 CN(C)C(=O)Oc1cc(C)n(C)c(=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O11 compound treatment 0.4 0.0197 0.62 0.403 0.0217 0.64 0.8914 0.9998 3064240 Maybridge4_003135 C/C=C(\C(=N\O)\C)/c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O12 compound treatment 0.407 0.0267 0.84 0.419 0.0377 1.12 1.3823 0.99 1124022 Maybridge4_003136 CC(=O)n1c(cc(c(C#N)c1=O)c2ccc(C)cc2)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O13 compound treatment 0.398 0.0177 0.56 0.394 0.0127 0.38 0.6584 0.982 1736617 Maybridge4_003137 COc1ccc(cc1)c2nc([nH]c(=O)c2C#N)N(C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O14 compound treatment 0.483 0.103 3.23 0.471 0.0897 2.66 4.1616 0.9953 3178250 Maybridge4_003138 FC(F)(F)c1ccc(/C=C(\C#N)/c2c[nH]c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O15 compound treatment 0.414 0.0337 1.06 0.408 0.0267 0.79 1.3075 0.9897 1429244 Maybridge4_003139 CCOC(=O)Cc1c(C)[nH]c(C(=O)OCC)c1CC(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O16 compound treatment 0.415 0.0347 1.09 0.418 0.0367 1.09 1.5392 1.0 1373405 Maybridge4_003140 CC(=O)SC1CC(=O)N(C1=O)c2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O17 compound treatment 0.386 0.00566 0.18 0.389 0.00769 0.23 0.2868 0.9925 3178251 Maybridge4_003141 O=C(C/C(=C\1/Cc2ccccc2C1=O)/c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O18 compound treatment 0.401 0.0207 0.65 0.397 0.0157 0.46 0.788 0.9865 3064242 Maybridge4_003142 CN(C)NC(=S)NCc1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O19 compound treatment 0.428 0.0477 1.5 0.428 0.0467 1.38 2.0378 0.9992 3178252 Maybridge4_003143 CCOC(=O)OC1CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O20 compound treatment 0.404 0.0237 0.74 0.411 0.0297 0.88 1.148 0.9965 1442612 Maybridge4_003144 Cc1cc(NCn2ncc3ccccc3c2=O)ccc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O21 compound treatment 0.405 0.0247 0.78 0.413 0.0317 0.94 1.2121 0.9955 3178253 Maybridge4_003145 Brc1ccc(cc1)c2cnc(/C=C/C=C/N3CCOCC3)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O22 compound treatment 0.411 0.0307 0.96 0.402 0.0207 0.61 1.1151 0.9761 1286622 Maybridge4_003146 O=C1c2ccccc2-c3c1c4ccccc4c(=O)n3CC5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O23 mock treatment 0.389 0.00866 0.27 0.408 0.0267 0.79 0.7516 0.8987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 O24 mock treatment 0.401 0.0207 0.65 0.413 0.0317 0.94 1.1232 0.9838 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P01 compound treatment 0.41 0.0297 0.93 0.416 0.0347 1.03 1.3862 0.9988 3178254 Maybridge4_003147 COc1ccc(/C=C(\C#N)/c2ccc(OC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P02 compound treatment 0.399 0.0187 0.59 0.401 0.0197 0.58 0.8273 1.0 1202102 Maybridge4_003148 COc1ccc(cc1OC)C2SC(=S)NC(=C2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P03 compound treatment 0.409 0.0287 0.9 0.412 0.0307 0.91 1.2801 1.0 3178255 Maybridge4_003149 O=C(NC(=S)N1CCCCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P04 compound treatment 0.395 0.0147 0.46 0.418 0.0367 1.09 1.0946 0.927 3178256 Maybridge4_003150 Cc1cc(Sc2ccc(Cl)cc2)nc(n1)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P05 compound treatment 0.41 0.0297 0.93 0.42 0.0387 1.15 1.47 0.9947 3064323 Maybridge4_003151 CCOC(=O)NC(=S)Nc1ccc(F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P06 compound treatment 0.393 0.0127 0.4 0.397 0.0157 0.46 0.6101 0.997 1496124 Maybridge4_003152 Nc1nc(Cc2ccc(F)cc2F)no1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P07 compound treatment 0.394 0.0137 0.43 0.396 0.0147 0.44 0.6114 1.0 1646965 Maybridge4_003153 Oc1cc(O)n(Cc2ccco2)c(=S)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P08 compound treatment 0.412 0.0317 1.0 0.42 0.0387 1.15 1.5144 0.9975 3178257 Maybridge4_003154 COc1cc(NC(=O)C(Sc2nc(C)cc(C)c2C#N)c3ccccc3)c(OC)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P09 compound treatment 0.42 0.0397 1.25 0.426 0.0447 1.32 1.818 0.9995 1555108 Maybridge4_003155 Sc1nc2ccccc2c(=O)n1CCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P10 compound treatment 0.408 0.0277 0.87 0.422 0.0407 1.21 1.4674 0.9871 1688911 Maybridge4_003156 CN(C(=O)N(C)C(=O)c1ccccc1)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P11 compound treatment 0.39 0.00966 0.3 0.386 0.00469 0.14 0.3129 0.9372 1186033 Maybridge4_003157 CCNC(=S)Nc1ccc(NC(=O)c2ccccc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P12 compound treatment 0.402 0.0217 0.68 0.415 0.0337 1.0 1.1873 0.9826 3064360 Maybridge4_003158 CN(C)/C=N/c1nonc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P13 compound treatment 0.412 0.0317 1.0 0.425 0.0437 1.29 1.6192 0.9916 3178258 Maybridge4_003159 COc1ccccc1/C=C(\C#N)/c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P14 compound treatment 0.414 0.0337 1.06 0.419 0.0377 1.12 1.538 0.9996 1641024 Maybridge4_003160 CC(C)NC(=O)Oc1noc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P15 compound treatment 0.41 0.0297 0.93 0.41 0.0287 0.85 1.2605 0.9989 3178259 Maybridge4_003161 CS/C(=N\c1c(C)cccc1C)/N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P16 compound treatment 0.373 -0.00734 -0.23 0.392 0.0107 0.32 0.0607 0.1547 1687023 Maybridge4_003162 CC(C)(C)C(=O)Nc1cccc(c1)c2cc(no2)c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P17 compound treatment 0.401 0.0207 0.65 0.405 0.0237 0.7 0.9556 0.9992 3064362 Maybridge4_003163 Cc1nc(S)nc(O)c1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P18 compound treatment 0.435 0.0547 1.72 0.445 0.0637 1.89 2.5496 0.9989 1159384 Maybridge4_003164 COC(=O)c1c(NC(=O)NCc2ccccc2)onc1c3c(Cl)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P19 compound treatment 0.397 0.0167 0.52 0.386 0.00469 0.14 0.4685 0.8647 1135236 Maybridge4_003165 Clc1ccc(cc1)C(=O)Oc2ccccc2OCC(=O)NCc3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P20 compound treatment 0.43 0.0497 1.56 0.428 0.0467 1.38 2.0823 0.9982 3178260 Maybridge4_003166 CSc1nc(NC(=O)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)nc(n1)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P21 compound treatment 0.402 0.0217 0.68 0.414 0.0327 0.97 1.1664 0.9851 1287410 Maybridge4_003167 CSc1nc2ccccc2c(=O)n1c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P22 compound treatment 0.405 0.0247 0.78 0.414 0.0327 0.97 1.2331 0.9939 3178261 Maybridge4_003168 COC(=O)c1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P23 mock treatment 0.406 0.0257 0.81 0.407 0.0257 0.76 1.1087 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2057 P24 mock treatment 0.432 0.0517 1.62 0.433 0.0517 1.53 2.2315 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A01 compound treatment 0.395 0.0186 0.58 0.411 0.0279 0.83 0.9972 0.9856 3064365 Maybridge4_003169 Clc1ccccc1CN2C(=O)CNC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A02 compound treatment 0.382 0.00558 0.18 0.394 0.0109 0.32 0.3519 0.9592 3178262 Maybridge4_003170 Cc1cc(SCC(=O)NN)c(C)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A03 compound treatment 0.382 0.00558 0.18 0.409 0.0259 0.77 0.6662 0.847 1123055 Maybridge4_003171 Clc1ccccc1OCCN2C(=O)CNC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A04 compound treatment 0.374 -0.00242 -0.08 0.404 0.0209 0.62 0.3836 0.6155 3178263 Maybridge4_003172 CC(=O)N1c2ccccc2C=Cc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A05 compound treatment 0.39 0.0136 0.43 0.414 0.0309 0.91 0.9489 0.9398 3178264 Maybridge4_003173 COc1nc(NC(=O)NS(=O)(=O)Nc2cccc3cccnc23)nc(OC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A06 compound treatment 0.354 -0.0224 -0.7 0.392 0.00888 0.26 -0.3125 -0.4154 1697760 Maybridge4_003174 S=C(NC1CC2CC1C=C2)Nc3ccc4[nH]ccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A07 compound treatment 0.414 0.0376 1.18 0.423 0.0399 1.18 1.6711 1.0 3064405 Maybridge4_003175 CNc1nc2c(Cl)cc(Cl)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A08 compound treatment 0.415 0.0386 1.21 0.411 0.0279 0.83 1.4419 0.9825 3064407 Maybridge4_003176 CC(C)OC(=S)Nc1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A09 compound treatment 0.388 0.0116 0.36 0.406 0.0229 0.68 0.7368 0.9575 3178265 Maybridge4_003177 CCN(C(=O)c1cnccc1C(F)(F)F)c2c(C)cccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A10 compound treatment 0.383 0.00658 0.21 0.406 0.0229 0.68 0.6256 0.8827 1316937 Maybridge4_003178 Cc1ccc(C)c(COc2ccc(C)nc2NC(=S)NCc3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A11 compound treatment 0.388 0.0116 0.36 0.383 -1.25E-4 0.0 0.2549 0.6999 3064408 Maybridge4_003179 CC1(C)ONC(=O)N(C1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A12 compound treatment 0.381 0.00458 0.14 0.361 -0.0221 -0.66 -0.3617 -0.5389 1490878 Maybridge4_003180 COc1ccccc1C2CCN(CC2)C(=O)c3cccnc3Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A13 compound treatment 0.394 0.0176 0.55 0.37 -0.0131 -0.39 0.1159 0.1714 3064412 Maybridge4_003181 FC(F)(F)c1cccc(c1)n2c(noc2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A14 compound treatment 0.409 0.0326 1.02 0.416 0.0329 0.97 1.4132 0.9997 1158023 Maybridge4_003182 Sc1nnc(CSCc2cccc3ccccc23)n1C4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A15 compound treatment 0.393 0.0166 0.52 0.393 0.00988 0.29 0.5756 0.9627 3064413 Maybridge4_003183 Brc1ccc(cc1)C(=O)CSc2nc(c3cccs3)c(C#N)c(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A16 compound treatment 0.392 0.0156 0.49 0.366 -0.0171 -0.51 -0.0124 -0.0176 1059941 Maybridge4_003184 OC(=O)c1cc2cc(Cl)ccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A17 compound treatment 0.404 0.0276 0.87 0.387 0.00388 0.11 0.6944 0.7938 3178266 Maybridge4_003185 Cc1cc(C)cc(Sc2ccc3nnc(c4ccccc4)n3n2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A18 compound treatment 0.414 0.0376 1.18 0.401 0.0179 0.53 1.2101 0.9345 3178267 Maybridge4_003186 CC(C)c1ccc(/C=C/2\CSc3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A19 compound treatment 0.39 0.0136 0.43 0.378 -0.00512 -0.15 0.1946 0.4293 3064415 Maybridge4_003187 Cc1cc(Cc2ccc(Cl)cc2)c(=O)[nH]n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A20 compound treatment 0.382 0.00558 0.18 0.367 -0.0161 -0.48 -0.2138 -0.42 3178268 Maybridge4_003188 O=C(/C=C\1/Nc2ccccc2OC1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A21 compound treatment 0.381 0.00458 0.14 0.376 -0.00712 -0.21 -0.0474 -0.1856 3064418 Maybridge4_003189 CCOC(=O)CSc1nc2cccnc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A22 compound treatment 0.372 -0.00442 -0.14 0.374 -0.00912 -0.27 -0.2895 -0.9521 3178269 Maybridge4_003190 COc1ccc(cc1)C2=Nc3ccccc3SC(C2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A23 mock treatment 0.365 -0.0114 -0.36 0.375 -0.00812 -0.24 -0.4241 -0.9811 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 A24 mock treatment 0.354 -0.0224 -0.7 0.374 -0.00912 -0.27 -0.6897 -0.9134 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B01 compound treatment 0.463 0.0866 2.72 0.462 0.0789 2.34 3.5777 0.9971 1225177 Maybridge4_003191 CCOC(=O)c1c(C)c(=O)oc2n(nc(O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B02 compound treatment 0.382 0.00558 0.18 0.38 -0.00312 -0.09 0.0586 0.2954 1739696 Maybridge4_003192 O=C1N(Cc2ccccc2)S(=O)(=O)c3ccccc3S(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B03 compound treatment 0.365 -0.0114 -0.36 0.371 -0.0121 -0.36 -0.5079 -1.0 3064449 Maybridge4_003193 CC(=O)OC[C@H]1O[C@@H](NC(=O)N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B04 compound treatment 0.403 0.0266 0.84 0.399 0.0159 0.47 0.9236 0.963 2101805 Maybridge4_003194 CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B05 compound treatment 0.368 -0.00842 -0.26 0.371 -0.0121 -0.36 -0.4412 -0.9887 1443369 Maybridge4_003195 CCc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B06 compound treatment 0.366 -0.0104 -0.33 0.368 -0.0151 -0.45 -0.5486 -0.9881 1585673 Maybridge4_003196 CCOC(=O)CCc1ccc(OCc2ccccc2)c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B07 compound treatment 0.378 0.00158 0.05 0.374 -0.00912 -0.27 -0.156 -0.5676 3064452 Maybridge4_003197 CC(=O)OC[C@H]1OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B08 compound treatment 0.386 0.00958 0.3 0.377 -0.00612 -0.18 0.0847 0.2408 3178366 Maybridge4_003198 CC1(C)c2ccccc2N3CC(=O)NC31/C=C/c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B09 compound treatment 0.372 -0.00442 -0.14 0.369 -0.0141 -0.42 -0.3942 -0.8939 1005564 Maybridge4_003199 CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B10 compound treatment 0.388 0.0116 0.36 0.399 0.0159 0.47 0.5901 0.992 3178367 Maybridge4_003200 Cc1nn(c(O)c1Cc2c(Cl)cccc2Cl)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B11 compound treatment 0.421 0.0446 1.4 0.409 0.0259 0.77 1.5334 0.9597 1167085 Maybridge4_003201 COc1ccc(CC2CCc3ncc(C)cc3C2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B12 compound treatment 0.386 0.00958 0.3 0.388 0.00488 0.14 0.3152 0.9433 3178368 Maybridge4_003202 N/N=C(/Cn1nnc(n1)N2CCCCC2)\c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B13 compound treatment 0.397 0.0206 0.65 0.398 0.0149 0.44 0.7693 0.9825 3064453 Maybridge4_003203 S=c1sc2ccccc2n1CCn3c(=S)sc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B14 compound treatment 0.378 0.00158 0.05 0.381 -0.00212 -0.06 -0.0094 -0.1169 1238987 Maybridge4_003204 CCCc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B15 compound treatment 0.372 -0.00442 -0.14 0.382 -0.00112 -0.03 -0.1218 -0.8525 3178369 Maybridge4_003205 CC1CN=C(S1)N(CCc2ccccc2)C(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B16 compound treatment 0.382 0.00558 0.18 0.394 0.0109 0.32 0.3519 0.9592 1004236 Maybridge4_003206 Cc1ccccc1NC(=N)NC(=N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B17 compound treatment 0.382 0.00558 0.18 0.375 -0.00812 -0.24 -0.0462 -0.1549 1381247 Maybridge4_003207 Sc1nnc(CCCc2nnc(S)o2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B18 compound treatment 0.371 -0.00542 -0.17 0.364 -0.0191 -0.57 -0.5212 -0.8808 1184925 Maybridge4_003208 CN(C)C(=O)Oc1nc(SCC(=O)c2ccc(Cl)cc2)nc(C)c1CC(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B19 compound treatment 0.404 0.0276 0.87 0.405 0.0219 0.65 1.0716 0.9897 3064457 Maybridge4_003209 COc1ccccc1C2CCN(CCCOc3ccc(Cl)cc3)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B20 compound treatment 0.34 -0.0364 -1.15 0.34 -0.0431 -1.28 -1.7133 -0.9985 3178370 Maybridge4_003210 CCNC(=S)NCC1CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B21 compound treatment 0.505 0.129 4.04 0.561 0.178 5.27 6.5858 0.9914 1489027 Maybridge4_003211 Oc1c(Cl)c(=O)n(Cc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B22 compound treatment 0.354 -0.0224 -0.7 0.355 -0.0281 -0.83 -1.0878 -0.9965 1250091 Maybridge4_003212 O=C(Nc1ccc(cc1)S(=O)(=O)NC2(CC3CC4CC(C3)C2)C4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B23 mock treatment 0.37 -0.00642 -0.2 0.372 -0.0111 -0.33 -0.3758 -0.9723 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 B24 mock treatment 0.385 0.00858 0.27 0.401 0.0179 0.53 0.5653 0.951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C01 compound treatment 0.352 -0.0244 -0.77 0.372 -0.0111 -0.33 -0.776 -0.9287 3064501 Maybridge4_003213 O=C(Nc1ccccc1)Nc2ccc3nnsc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C02 compound treatment 0.377 5.81E-4 0.02 0.398 0.0149 0.44 0.3246 0.7358 1507422 Maybridge4_003214 CC(C)(C)c1ccc(OCC(=O)n2ncc(C#N)c2N)c(c1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C03 compound treatment 0.367 -0.00942 -0.3 0.354 -0.0291 -0.86 -0.8197 -0.8983 1402640 Maybridge4_003215 COc1ccc(OCCN2C(=O)CNC2=S)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C04 compound treatment 0.398 0.0216 0.68 0.393 0.00988 0.29 0.6867 0.9293 1499674 Maybridge4_003216 Cc1ccc2N(CCCc2c1)C(=O)CC(=O)N3CCCc4cc(C)ccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C05 compound treatment 0.4 0.0236 0.74 0.403 0.0199 0.59 0.9407 0.9935 3064504 Maybridge4_003217 CC(C)c1ccc(NC(=S)Sc2ccc(F)cc2F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C06 compound treatment 0.375 -0.00142 -0.04 0.365 -0.0181 -0.54 -0.4113 -0.7632 1213648 Maybridge4_003218 Cc1ccc(CC(=S)N2CCOCC2)cn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C07 compound treatment 0.393 0.0166 0.52 0.382 -0.00112 -0.03 0.3451 0.6605 3178371 Maybridge4_003219 CCN(C(=O)c1cnccc1C(F)(F)F)c2nc3cc(Cl)ccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C08 compound treatment 0.39 0.0136 0.43 0.372 -0.0111 -0.33 0.0689 0.1276 1153252 Maybridge4_003220 COc1cc2cc(OCc3c(F)cccc3Cl)nc(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C09 compound treatment 0.379 0.00258 0.08 0.386 0.00288 0.09 0.1176 0.9997 3178372 Maybridge4_003221 CSc1cc(c(cn1)C(=O)Nc2c(C)cccc2C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C10 compound treatment 0.422 0.0456 1.43 0.416 0.0329 0.97 1.7023 0.9823 3064507 Maybridge4_003222 CCC/N=c/1\ssc(=O)n1CCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C11 compound treatment 0.373 -0.00342 -0.11 0.369 -0.0141 -0.42 -0.372 -0.8608 3178373 Maybridge4_003223 COc1nccc(c1C(=O)NC(=O)Nc2c(C)cccc2C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C12 compound treatment 0.386 0.00958 0.3 0.377 -0.00612 -0.18 0.0847 0.2408 3064509 Maybridge4_003224 FC(F)(F)c1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C13 compound treatment 0.378 0.00158 0.05 0.367 -0.0161 -0.48 -0.3027 -0.6302 1304317 Maybridge4_003225 Clc1cccc(c1)c2noc(=O)n2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C14 compound treatment 0.384 0.00758 0.24 0.38 -0.00312 -0.09 0.1031 0.4031 1154699 Maybridge4_003226 CC(C)COC(=O)c1cn(C2CCCCC2)c3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C15 compound treatment 0.368 -0.00842 -0.26 0.375 -0.00812 -0.24 -0.3574 -0.9989 1407275 Maybridge4_003227 COC(=O)C1c2ccccc2Oc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C16 compound treatment 0.376 -4.19E-4 -0.01 0.364 -0.0191 -0.57 -0.41 -0.7234 1661086 Maybridge4_003228 COc1ccc(CC2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C17 compound treatment 0.379 0.00258 0.08 0.386 0.00288 0.09 0.1176 0.9997 3178374 Maybridge4_003229 CC1=C(Sc2ccccc2N1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C18 compound treatment 0.416 0.0396 1.24 0.415 0.0319 0.94 1.5479 0.9907 3064548 Maybridge4_003230 O=C1/C(=C/c2c[nH]c3ccccc23)/CSc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C19 compound treatment 0.366 -0.0104 -0.33 0.372 -0.0111 -0.33 -0.4648 -1.0 3178375 Maybridge4_003231 Cc1cc(Cc2cccs2)c(=O)[nH]n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C20 compound treatment 0.42 0.0436 1.37 0.413 0.0299 0.89 1.5949 0.9776 1550561 Maybridge4_003232 OC(COc1ccc(F)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C21 compound treatment 0.374 -0.00242 -0.08 0.369 -0.0141 -0.42 -0.3497 -0.8222 1029711 Maybridge4_003233 CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C22 compound treatment 0.451 0.0746 2.35 0.447 0.0639 1.89 2.9966 0.9944 3178376 Maybridge4_003234 Oc1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C23 mock treatment 0.36 -0.0164 -0.52 0.366 -0.0171 -0.51 -0.7239 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 C24 mock treatment 0.367 -0.00942 -0.3 0.378 -0.00512 -0.15 -0.3168 -0.9518 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D01 compound treatment 0.389 0.0126 0.4 0.389 0.00588 0.17 0.4028 0.932 1653141 Maybridge4_003235 Nc1cc(=O)[nH]c(=O)n1c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D02 compound treatment 0.369 -0.00742 -0.23 0.381 -0.00212 -0.06 -0.2095 -0.8669 3178377 Maybridge4_003236 CNS(=O)(=O)c1ccc(cc1S(=O)c2ccccc2C(=O)O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D03 compound treatment 0.367 -0.00942 -0.3 0.369 -0.0141 -0.42 -0.5054 -0.9857 1915933 Maybridge4_003237 COC(=O)Nc1nc2cc(ccc2[nH]1)c3n[nH]c(=O)c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D04 compound treatment 0.364 -0.0124 -0.39 0.364 -0.0191 -0.57 -0.6769 -0.9835 1252966 Maybridge4_003238 Oc1c(c2ccccc2)c(=O)[nH]c3ccc(F)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D05 compound treatment 0.355 -0.0214 -0.67 0.358 -0.0251 -0.74 -1.0027 -0.9987 3178378 Maybridge4_003239 Brc1ccc(cc1)C(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D06 compound treatment 0.373 -0.00342 -0.11 0.36 -0.0231 -0.69 -0.5606 -0.8082 3064551 Maybridge4_003240 CCN1C(=O)N(CC)C(=O)C(=Cc2c(O)n(CC)c(=O)n(CC)c2=O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D07 compound treatment 0.37 -0.00642 -0.2 0.367 -0.0161 -0.48 -0.4806 -0.9265 3178379 Maybridge4_003241 CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D08 compound treatment 0.378 0.00158 0.05 0.369 -0.0141 -0.42 -0.2608 -0.6188 3178380 Maybridge4_003242 CC1(C)c2ccccc2N3CC(=O)NC31/C=C/c4ccc(cc4)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D09 compound treatment 0.379 0.00258 0.08 0.38 -0.00312 -0.09 -0.0081 -0.0658 1190502 Maybridge4_003243 Clc1ccc2n(CN3CCCCC3)c4ccc(Cl)cc4c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D10 compound treatment 0.359 -0.0174 -0.55 0.368 -0.0151 -0.45 -0.7042 -0.995 3064581 Maybridge4_003244 CNC(=S)Nc1cc(Cl)cc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D11 compound treatment 0.377 5.81E-4 0.02 0.368 -0.0151 -0.45 -0.304 -0.6777 1208488 Maybridge4_003245 OC(=O)CCC1CCCCCCCCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D12 compound treatment 0.388 0.0116 0.36 0.369 -0.0141 -0.42 -0.0385 -0.0694 3064582 Maybridge4_003246 O/N=C(/Cn1nnc(n1)N2CCCC2)\c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D13 compound treatment 0.365 -0.0114 -0.36 0.36 -0.0231 -0.69 -0.7384 -0.9545 3064584 Maybridge4_003247 C([n+]1ccccc1)[n+]2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D14 compound treatment 0.357 -0.0194 -0.61 0.353 -0.0301 -0.89 -1.063 -0.9829 3178381 Maybridge4_003248 Cc1nc(SCC(=O)C(C)(C)C)nc(O)c1Cc2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D15 compound treatment 0.382 0.00558 0.18 0.381 -0.00212 -0.06 0.0796 0.4267 3178382 Maybridge4_003249 CC(N(C(=O)Nc1ccc(Cl)cc1)C2=NCC(C)S2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D16 compound treatment 0.383 0.00658 0.21 0.383 -1.25E-4 0.0 0.1437 0.6943 3064586 Maybridge4_003250 CC(C)(C)c1cs/c(=N\c2ccc(F)cc2F)/o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D17 compound treatment 0.364 -0.0124 -0.39 0.365 -0.0181 -0.54 -0.6559 -0.9877 3178383 Maybridge4_003251 C(CCc1nnc(SCc2ccccc2)o1)Cc3nnc(SCc4ccccc4)o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D18 compound treatment 0.374 -0.00242 -0.08 0.38 -0.00312 -0.09 -0.1193 -0.9952 3064589 Maybridge4_003252 FC(F)(F)c1ccc(Cl)c(Nc2ncnc(n2)n3cccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D19 compound treatment 0.375 -0.00142 -0.04 0.363 -0.0201 -0.6 -0.4532 -0.7579 1521138 Maybridge4_003253 COc1ccc(CCNC(=O)C2CCCCC2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D20 compound treatment 0.371 -0.00542 -0.17 0.369 -0.0141 -0.42 -0.4165 -0.9215 2078178 Maybridge4_003254 CC(C)[n+]1c(C)csc1Nc2ccc(F)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D21 compound treatment 0.355 -0.0214 -0.67 0.347 -0.0361 -1.07 -1.2332 -0.9751 1308049 Maybridge4_003255 O=c1cc(NCc2ccccc2)[nH]nc1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D22 compound treatment 0.357 -0.0194 -0.61 0.373 -0.0101 -0.3 -0.6439 -0.9465 3178478 Maybridge4_003256 CCCC1=NNC(=O)C1Cc2c(Cl)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D23 mock treatment 0.351 -0.0254 -0.8 0.359 -0.0241 -0.71 -1.0707 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 D24 mock treatment 0.388 0.0116 0.36 0.385 0.00188 0.06 0.2968 0.8057 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E01 compound treatment 0.379 0.00258 0.08 0.39 0.00688 0.2 0.2014 0.9186 3064592 Maybridge4_003257 CSC1=NCC(=O)N1Cc2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E02 compound treatment 0.362 -0.0144 -0.45 0.377 -0.00612 -0.18 -0.4489 -0.9192 1522772 Maybridge4_003258 CCCCc1cc(C)c2ncc(C(=O)O)c(O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E03 compound treatment 0.373 -0.00342 -0.11 0.367 -0.0161 -0.48 -0.4139 -0.8451 1340715 Maybridge4_003259 CC(C)NC(=O)N(Cc1cccs1)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E04 compound treatment 0.388 0.0116 0.36 0.393 0.00988 0.29 0.4644 0.9941 1280280 Maybridge4_003260 Oc1c(c2ccccc2)c(=O)n3c4ccccc4c5cccc1c53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E05 compound treatment 0.364 -0.0124 -0.39 0.372 -0.0111 -0.33 -0.5092 -0.9964 3178479 Maybridge4_003261 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)c3CS(=O)(=O)CCc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E06 compound treatment 0.372 -0.00442 -0.14 0.361 -0.0221 -0.66 -0.5618 -0.8384 1428973 Maybridge4_003262 COC(=O)C1=C(C)NC(=O)CC1c2ccccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E07 compound treatment 0.376 -4.19E-4 -0.01 0.377 -0.00612 -0.18 -0.1377 -0.7565 3178480 Maybridge4_003263 CSc1nc(nc(N)c1C#N)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E08 compound treatment 0.392 0.0156 0.49 0.39 0.00688 0.2 0.4905 0.9244 1476870 Maybridge4_003264 COc1ccc2n(C3CC3)c(C)c(C(=O)ON4C(=O)CCC4=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E09 compound treatment 0.399 0.0226 0.71 0.383 -1.25E-4 0.0 0.4994 0.7034 3178481 Maybridge4_003265 Cc1cccc(C)c1NC(=O)c2cnc(NC3CCCCC3)cc2C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E10 compound treatment 0.388 0.0116 0.36 0.383 -1.25E-4 0.0 0.2549 0.6999 3063905 Maybridge4_003266 FC(F)(F)c1cc(Cl)c2ncc(nc2c1)c3ccc(Br)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E11 compound treatment 0.375 -0.00142 -0.04 0.37 -0.0131 -0.39 -0.3066 -0.7831 3178482 Maybridge4_003267 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/c2ccsc2)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E12 compound treatment 0.423 0.0466 1.46 0.408 0.0249 0.74 1.5569 0.9495 1329285 Maybridge4_003268 CC(C)C1CCC(C)CC1NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E13 compound treatment 0.39 0.0136 0.43 0.376 -0.00712 -0.21 0.1527 0.3205 3063910 Maybridge4_003269 COc1ccccc1c2nn(c3cccc(n3)C(F)(F)F)c(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E14 compound treatment 0.373 -0.00342 -0.11 0.371 -0.0121 -0.36 -0.3301 -0.8801 1482860 Maybridge4_003270 COc1ccc(Oc2ncccc2NC(=O)c3ccc(OC)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E15 compound treatment 0.399 0.0226 0.71 0.385 0.00188 0.06 0.5413 0.7601 1317058 Maybridge4_003271 COc1ccc(CNc2nc(c3cccs3)c(C#N)c(=O)n2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E16 compound treatment 0.368 -0.00842 -0.26 0.37 -0.0131 -0.39 -0.4622 -0.9824 3063941 Maybridge4_003272 Cc1n[nH]c(=S)n1/N=C\c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E17 compound treatment 0.394 0.0176 0.55 0.383 -1.25E-4 0.0 0.3883 0.7024 1597311 Maybridge4_003273 CCOC(CNc1ccc2nnc(c3ccccc3)n2n1)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E18 compound treatment 0.447 0.0706 2.22 0.438 0.0549 1.63 2.7191 0.9883 3063945 Maybridge4_003274 O=C1/C(=C\c2c[nH]c3ccccc23)/C(Oc4ccccc14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E19 compound treatment 0.379 0.00258 0.08 0.372 -0.0111 -0.33 -0.1757 -0.5176 3178483 Maybridge4_003275 Cc1cc(Cc2ccc(cc2)C(F)(F)F)c(=O)[nH]n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E20 compound treatment 0.383 0.00658 0.21 0.367 -0.0161 -0.48 -0.1915 -0.3679 1460994 Maybridge4_003276 CN(C)CCC(O)(CCc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E21 compound treatment 0.381 0.00458 0.14 0.38 -0.00312 -0.09 0.0364 0.2124 3063949 Maybridge4_003277 CN(C)/C=N/c1nnc(Sc2ccnc3cc(Cl)ccc23)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E22 compound treatment 0.387 0.0106 0.33 0.383 -1.25E-4 0.0 0.2326 0.6992 1708827 Maybridge4_003278 CCOC(=O)COc1ccc(cc1)C2=Nc3ccccc3NC(C2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E23 mock treatment 0.373 -0.00342 -0.11 0.36 -0.0231 -0.69 -0.5606 -0.8082 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 E24 mock treatment 0.366 -0.0104 -0.33 0.369 -0.0141 -0.42 -0.5276 -0.9927 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F01 compound treatment 0.38 0.00358 0.11 0.406 0.0229 0.68 0.5589 0.8134 3063951 Maybridge4_003279 Brc1ccc(cc1)C(=O)C2C(=O)OC(=CC2=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F02 compound treatment 0.374 -0.00242 -0.08 0.38 -0.00312 -0.09 -0.1193 -0.9952 1535413 Maybridge4_003280 CN1CCN(CCN2C(=O)c3ccccc3Sc4cc(Cl)ccc4S2(=O)=O)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F03 compound treatment 0.382 0.00558 0.18 0.365 -0.0181 -0.54 -0.2557 -0.4525 1134402 Maybridge4_003281 O=S(=O)(N(CCC#N)C1CCCCC1)c2cccc3nsnc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F04 compound treatment 0.426 0.0496 1.56 0.42 0.0369 1.09 1.875 0.9849 3178484 Maybridge4_003282 Cc1ccccc1/C=C/c2c[nH]c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F05 compound treatment 0.381 0.00458 0.14 0.376 -0.00712 -0.21 -0.0474 -0.1856 3063955 Maybridge4_003283 OC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F06 compound treatment 0.379 0.00258 0.08 0.369 -0.0141 -0.42 -0.2386 -0.5596 1062519 Maybridge4_003284 O=C(C1CCCCC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F07 compound treatment 0.375 -0.00142 -0.04 0.367 -0.0161 -0.48 -0.3694 -0.7698 3178485 Maybridge4_003285 O=C(OC[C@H]1O[C@@H](C#N)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F08 compound treatment 0.408 0.0316 0.99 0.409 0.0259 0.77 1.2443 0.9918 1658235 Maybridge4_003286 CC1(C)c2ccccc2N(CCC(=O)N)C31Oc4ccc5ccccc5c4C=C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F09 compound treatment 0.403 0.0266 0.84 0.407 0.0239 0.71 1.0912 0.9966 1416171 Maybridge4_003287 OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F10 compound treatment 0.393 0.0166 0.52 0.392 0.00888 0.26 0.5546 0.9498 1438412 Maybridge4_003288 O=C(Cn1nnc(n1)N2CCOCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F11 compound treatment 0.38 0.00358 0.11 0.371 -0.0121 -0.36 -0.1744 -0.4633 3178486 Maybridge4_003289 COc1cc(COC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1.C1CCC(CC1)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F12 compound treatment 0.385 0.00858 0.27 0.375 -0.00812 -0.24 0.0205 0.0568 1614817 Maybridge4_003290 COc1ccc(CCNC(=S)NC2CC2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F13 compound treatment 0.743 0.367 11.53 0.536 0.153 4.53 11.3537 0.9167 3178487 Maybridge4_003291 CCN1/C(=C\C(=S)Nc2ccccc2)/Sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F14 compound treatment 0.393 0.0166 0.52 0.37 -0.0131 -0.39 0.0936 0.144 1593331 Maybridge4_003292 CC(C)(C)C(=O)Cn1nnc(n1)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F15 compound treatment 0.369 -0.00742 -0.23 0.37 -0.0131 -0.39 -0.44 -0.9701 3063998 Maybridge4_003293 CC1=[N+](C)c2cc(ccc2C1(C)C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F16 compound treatment 0.396 0.0196 0.62 0.396 0.0129 0.38 0.7051 0.9735 3178488 Maybridge4_003294 Fc1ccc(NC(=S)Nc2cc(ccc2N3CCCC3)C(F)(F)F)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F17 compound treatment 0.371 -0.00542 -0.17 0.376 -0.00712 -0.21 -0.2698 -0.9944 1142281 Maybridge4_003295 CN1C(=C(C(NC1=O)c2ccccc2)C(=O)OCc3ccccc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F18 compound treatment 0.38 0.00358 0.11 0.381 -0.00212 -0.06 0.0351 0.272 1704243 Maybridge4_003296 COCc1cc(O)n2nc(Nc3cc(Cl)ccc3C)nc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F19 compound treatment 0.375 -0.00142 -0.04 0.377 -0.00612 -0.18 -0.1599 -0.8555 1313602 Maybridge4_003297 O=c1cc(NCc2ccccc2)n(c3ccccc3)c(=O)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F20 compound treatment 0.386 0.00958 0.3 0.386 0.00288 0.09 0.2733 0.8728 1473392 Maybridge4_003298 CCN(CC)C(=O)Sc1nc2ccccc2c(=O)n1CC3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F21 compound treatment 0.359 -0.0174 -0.55 0.355 -0.0281 -0.83 -0.9766 -0.9793 1547311 Maybridge4_003299 OC(=O)C1(C2C3C14)C5C2CCC3C45C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F22 compound treatment 0.377 5.81E-4 0.02 0.377 -0.00612 -0.18 -0.1154 -0.6328 3064002 Maybridge4_003300 CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F23 mock treatment 0.365 -0.0114 -0.36 0.363 -0.0201 -0.6 -0.6756 -0.9705 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 F24 mock treatment 0.379 0.00258 0.08 0.408 0.0249 0.74 0.5786 0.7802 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G01 compound treatment 0.391 0.0146 0.46 0.417 0.0339 1.0 1.034 0.937 1507436 Maybridge4_003301 Cc1cc(no1)N(Cc2cccc(Cl)c2Cl)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G02 compound treatment 0.377 5.81E-4 0.02 0.377 -0.00612 -0.18 -0.1154 -0.6328 1593004 Maybridge4_003302 O=c1ccc(n[nH]1)c2ccncc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G03 compound treatment 0.364 -0.0124 -0.39 0.373 -0.0101 -0.3 -0.4883 -0.9915 3178489 Maybridge4_003303 CSC1=N/C(=C\c2ccccc2Cl)/C(=O)N1N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G04 compound treatment 0.375 -0.00142 -0.04 0.374 -0.00912 -0.27 -0.2228 -0.8128 3178490 Maybridge4_003304 COc1ccc(C/N=C(\C)/c2c(O)c3ccccc3n(C)c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G05 compound treatment 0.373 -0.00342 -0.11 0.374 -0.00912 -0.27 -0.2672 -0.9183 3064042 Maybridge4_003305 CCN(C(=O)c1cnccc1C(F)(F)F)c2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G06 compound treatment 0.393 0.0166 0.52 0.396 0.0129 0.38 0.6384 0.9882 1261792 Maybridge4_003306 Cc1ccc(Oc2ncccc2NC(=O)C(=S)NCc3ccccc3)c4CCCc41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G07 compound treatment 0.383 0.00658 0.21 0.372 -0.0111 -0.33 -0.0868 -0.223 3064045 Maybridge4_003307 Cc1nc(c2nnc(o2)c3ccccc3)c(o1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G08 compound treatment 0.388 0.0116 0.36 0.377 -0.00612 -0.18 0.1291 0.3174 3178491 Maybridge4_003308 COc1ccc(cc1OC2CCCC2)C3CC(=O)NN3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G09 compound treatment 0.384 0.00758 0.24 0.367 -0.0161 -0.48 -0.1693 -0.3171 3064046 Maybridge4_003309 CNC(=O)NC(=O)c1cnccc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G10 compound treatment 0.371 -0.00542 -0.17 0.354 -0.0291 -0.86 -0.7307 -0.8307 1193128 Maybridge4_003310 Cc1c(OCc2ccc(Cl)cc2Cl)ccc3C(=O)CC(C)(C)Oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G11 compound treatment 0.409 0.0326 1.02 0.391 0.00788 0.23 0.8894 0.8465 3064048 Maybridge4_003311 COC(=O)c1cnc(Oc2c(Cl)cc(N)cc2Cl)cc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G12 compound treatment 0.393 0.0166 0.52 0.376 -0.00712 -0.21 0.2194 0.39 1126959 Maybridge4_003312 COc1ccccc1C2CCN(CC2)C(=O)CSCc3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G13 compound treatment 0.398 0.0216 0.68 0.344 -0.0391 -1.16 -0.34 -0.2531 3064052 Maybridge4_003313 COc1cccc(OC)c1CN(C)C(=O)c2cnc(Oc3ccccc3)cc2C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G14 compound treatment 0.381 0.00458 0.14 0.37 -0.0131 -0.39 -0.1732 -0.4175 1245694 Maybridge4_003314 NNC(=O)Cn1c2ccccc2c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G15 compound treatment 0.38 0.00358 0.11 0.373 -0.0101 -0.3 -0.1325 -0.4136 3064053 Maybridge4_003315 CC1CC(=O)NN=C1c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G16 compound treatment 0.373 -0.00342 -0.11 0.369 -0.0141 -0.42 -0.372 -0.8608 3178582 Maybridge4_003316 COc1cc(/C=N\n2cn[nH]c2=S)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G17 compound treatment 0.371 -0.00542 -0.17 0.365 -0.0181 -0.54 -0.5003 -0.8878 1565631 Maybridge4_003317 CSc1nc2cccc(F)c2c(=O)n1c3ccc(C)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G18 compound treatment 0.387 0.0106 0.33 0.365 -0.0181 -0.54 -0.1445 -0.2288 1496711 Maybridge4_003318 Cc1ccccc1NC(=O)COc2ccc3C(=O)CC(C)(C)Oc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G19 compound treatment 0.373 -0.00342 -0.11 0.368 -0.0151 -0.45 -0.3929 -0.8526 3178583 Maybridge4_003319 CCc1nc(S)[nH]c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G20 compound treatment 0.364 -0.0124 -0.39 0.359 -0.0241 -0.71 -0.7816 -0.9595 1520911 Maybridge4_003320 O=C1CC(Sc2ccccc2N1)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G21 compound treatment 0.36 -0.0164 -0.52 0.368 -0.0151 -0.45 -0.682 -0.9975 1387364 Maybridge4_003321 CC(=O)N1CCc2cc(NC(=S)Nc3ccccc3Cl)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G22 compound treatment 0.359 -0.0174 -0.55 0.358 -0.0251 -0.74 -0.9137 -0.9886 1175310 Maybridge4_003322 O=C(COc1ccc(cc1)C2=Nc3ccccc3NC(C2)c4ccccc4)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G23 mock treatment 0.365 -0.0114 -0.36 0.364 -0.0191 -0.57 -0.6546 -0.9758 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 G24 mock treatment 0.365 -0.0114 -0.36 0.378 -0.00512 -0.15 -0.3613 -0.9267 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H01 compound treatment 0.389 0.0126 0.4 0.415 0.0319 0.94 0.9476 0.9254 3064847 Maybridge4_003323 N=C(NC(=S)Nc1ccccc1)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H02 compound treatment 0.386 0.00958 0.3 0.385 0.00188 0.06 0.2523 0.8236 1265943 Maybridge4_003324 Oc1cc(c2ccc(F)cc2)n(c3ccccc3)c(=O)c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H03 compound treatment 0.404 0.0276 0.87 0.415 0.0319 0.94 1.2811 0.9991 1493327 Maybridge4_003325 CC(C)c1c(Br)c(=O)oc2c3CCCN4CCCc(cc12)c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H04 compound treatment 0.36 -0.0164 -0.52 0.362 -0.0211 -0.63 -0.8077 -0.9954 1020946 Maybridge4_003326 NC(=O)NCCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H05 compound treatment 0.373 -0.00342 -0.11 0.36 -0.0231 -0.69 -0.5606 -0.8082 3064848 Maybridge4_003327 C/C(=N/O)/CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H06 compound treatment 0.376 -4.19E-4 -0.01 0.37 -0.0131 -0.39 -0.2843 -0.7307 1378346 Maybridge4_003328 Cn1c(=O)n(C)c2ncn(CC(O)COc3ccccc3)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H07 compound treatment 0.385 0.00858 0.27 0.368 -0.0151 -0.45 -0.1261 -0.2411 3064849 Maybridge4_003329 CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H08 compound treatment 0.381 0.00458 0.14 0.378 -0.00512 -0.15 -0.0055 -0.0265 1554777 Maybridge4_003330 CCn1c2C(=O)CCCc2c3cc(OCc4ccccc4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H09 compound treatment 0.404 0.0276 0.87 0.391 0.00788 0.23 0.7782 0.8665 3064850 Maybridge4_003331 OC1=C(C(=O)c2ccccc12)c3ccc(I)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H10 compound treatment 0.382 0.00558 0.18 0.369 -0.0141 -0.42 -0.1719 -0.3787 3178584 Maybridge4_003332 FC(F)(F)c1cccc(c1)n2c(S)nnc2Cn3nnc(n3)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H11 compound treatment 0.415 0.0386 1.21 0.403 0.0199 0.59 1.2742 0.9449 1668484 Maybridge4_003333 Fc1ccc(cc1)N(C(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H12 compound treatment 0.397 0.0206 0.65 0.372 -0.0111 -0.33 0.2245 0.3091 3064851 Maybridge4_003334 COc1ccc(CCN/2C(=O)CS\C2=N/C3CC3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H13 compound treatment 0.398 0.0216 0.68 0.38 -0.00312 -0.09 0.4143 0.605 1561039 Maybridge4_003335 O=c1[nH]c2ccccc2c(=O)n1CCSc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H14 compound treatment 0.416 0.0396 1.24 0.389 0.00588 0.17 1.0031 0.7982 3064852 Maybridge4_003336 CC/N=C(/Nc1ccc(cc1)C(C)(C)C)\SCC2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H15 compound treatment 0.411 0.0346 1.09 0.406 0.0229 0.68 1.2482 0.9741 1155855 Maybridge4_003337 Oc1c(O)c(CN2CCCCC2)c3ccccc3c1CN4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H16 compound treatment 0.383 0.00658 0.21 0.379 -0.00412 -0.12 0.0599 0.2492 3064853 Maybridge4_003338 COC(=O)c1cccc(NC(=N)NC(=N)N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H17 compound treatment 0.385 0.00858 0.27 0.384 8.75E-4 0.03 0.2091 0.7715 3178585 Maybridge4_003339 Clc1ccc(cc1)S(=O)(=O)C2=CC34CCCC4(C2)C=C(C3)S(=O)(=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H18 compound treatment 0.367 -0.00942 -0.3 0.385 0.00188 0.06 -0.1701 -0.5646 3064854 Maybridge4_003340 CC(=C)CC1C(=NNC1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H19 compound treatment 0.361 -0.0154 -0.48 0.363 -0.0201 -0.6 -0.7645 -0.9947 3178586 Maybridge4_003341 CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)n3cnc4c(N)ncnc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H20 compound treatment 0.358 -0.0184 -0.58 0.348 -0.0351 -1.04 -1.1455 -0.9617 3064855 Maybridge4_003342 Clc1ccc(NC(=S)NCC2CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H21 compound treatment 0.368 -0.00842 -0.26 0.376 -0.00712 -0.21 -0.3365 -0.9937 1331091 Maybridge4_003343 CN(C)CCNc1cc(nc2ccccc12)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H22 compound treatment 0.449 0.0726 2.28 0.452 0.0689 2.04 3.0569 0.9984 1734961 Maybridge4_003344 CCCc1c(Cc2c(F)cccc2Cl)c(=O)oc3cc(O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H23 mock treatment 0.361 -0.0154 -0.48 0.376 -0.00712 -0.21 -0.4921 -0.9306 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 H24 mock treatment 0.38 0.00358 0.11 0.391 0.00788 0.23 0.2446 0.9441 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I01 compound treatment 0.371 -0.00542 -0.17 0.378 -0.00512 -0.15 -0.2279 -0.9983 3178587 Maybridge4_003345 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I02 compound treatment 0.372 -0.00442 -0.14 0.391 0.00788 0.23 0.0667 0.2457 1626253 Maybridge4_003346 CSc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I03 compound treatment 0.368 -0.00842 -0.26 0.368 -0.0151 -0.45 -0.5041 -0.9685 1244996 Maybridge4_003347 CCNC(=O)N(Cc1ccccc1)Cc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I04 compound treatment 0.36 -0.0164 -0.52 0.362 -0.0211 -0.63 -0.8077 -0.9954 1073759 Maybridge4_003348 CSc1ncc(Br)c(n1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I05 compound treatment 0.364 -0.0124 -0.39 0.37 -0.0131 -0.39 -0.5511 -1.0 3178588 Maybridge4_003349 CC(C)(C)NC(=O)Nc1cnccc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I06 compound treatment 0.364 -0.0124 -0.39 0.381 -0.00212 -0.06 -0.3207 -0.8107 3064856 Maybridge4_003350 CCOC(=O)CC1=Nn2c(nnc2SC1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I07 compound treatment 0.371 -0.00542 -0.17 0.384 8.75E-4 0.03 -0.1022 -0.5927 3178589 Maybridge4_003351 Cc1nc(C(=O)NCC(=O)c2ccc(Cl)cc2)c(o1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I08 compound treatment 0.367 -0.00942 -0.3 0.38 -0.00312 -0.09 -0.2749 -0.8859 1403866 Maybridge4_003352 O=c1cc([nH]c(=O)[nH]1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I09 compound treatment 0.379 0.00258 0.08 0.385 0.00188 0.06 0.0967 0.9829 3178590 Maybridge4_003353 COc1ccc(CN(C)C(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I10 compound treatment 0.394 0.0176 0.55 0.388 0.00488 0.14 0.493 0.8629 1529338 Maybridge4_003354 CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I11 compound treatment 0.382 0.00558 0.18 0.388 0.00488 0.14 0.2262 0.9953 3064857 Maybridge4_003355 CN(C(=O)c1cn(C)c(=O)cc1C(F)(F)F)c2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I12 compound treatment 0.393 0.0166 0.52 0.401 0.0179 0.53 0.7432 1.0 1141964 Maybridge4_003356 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3cccc4nonc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I13 compound treatment 0.398 0.0216 0.68 0.385 0.00188 0.06 0.5191 0.7625 3064858 Maybridge4_003357 CSc1nc(Nc2cccc(c2)C(F)(F)F)cc(c1C#N)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I14 compound treatment 0.376 -4.19E-4 -0.01 0.35 -0.0331 -0.98 -0.7034 -0.7165 1260487 Maybridge4_003358 Cc1ccc(Sc2ncccc2NC(=O)c3cccc4ccccc34)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I15 compound treatment 0.378 0.00158 0.05 0.379 -0.00412 -0.12 -0.0513 -0.3887 1269491 Maybridge4_003359 CCOC(=O)c1cnn2c1nc(Sc3cccc(OC)c3)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I16 compound treatment 0.378 0.00158 0.05 0.368 -0.0151 -0.45 -0.2818 -0.6249 1008109 Maybridge4_003360 S=C(Nc1ccccn1)Nc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I17 compound treatment 0.414 0.0376 1.18 0.391 0.00788 0.23 1.0006 0.8307 3064859 Maybridge4_003361 O/N=C/Nc1ccc2nnc(c3ccccc3)n2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I18 compound treatment 0.377 5.81E-4 0.02 0.36 -0.0231 -0.69 -0.4716 -0.688 1290576 Maybridge4_003362 Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I19 compound treatment 0.366 -0.0104 -0.33 0.36 -0.0231 -0.69 -0.7162 -0.943 3064860 Maybridge4_003363 Cc1ccc(Cc2cc(C)n[nH]c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I20 compound treatment 0.371 -0.00542 -0.17 0.345 -0.0381 -1.13 -0.9193 -0.8047 1499068 Maybridge4_003364 CC(=O)NC1C(c2ccccc2)S(=O)(=O)c3ccccc3NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I21 compound treatment 0.363 -0.0134 -0.42 0.359 -0.0241 -0.71 -0.8038 -0.9684 1721722 Maybridge4_003365 CC(=O)N1CCc2cc(NC(=S)NCc3cccs3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I22 compound treatment 0.364 -0.0124 -0.39 0.35 -0.0331 -0.98 -0.9702 -0.9184 1210152 Maybridge4_003366 CCC(=O)N1C(CC(=Nc2ccccc12)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I23 mock treatment 0.373 -0.00342 -0.11 0.363 -0.0201 -0.6 -0.4977 -0.8214 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 I24 mock treatment 0.375 -0.00142 -0.04 0.379 -0.00412 -0.12 -0.118 -0.9067 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J01 compound treatment 0.389 0.0126 0.4 0.398 0.0149 0.44 0.5914 0.9985 1243119 Maybridge4_003367 Cc1c(O)c(c2ccccc2)c(=O)n(c3ccccn3)c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J02 compound treatment 0.391 0.0146 0.46 0.407 0.0239 0.71 0.8244 0.9779 1140611 Maybridge4_003368 CCCCc1c(O)cc(c2ccccc2)n(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J03 compound treatment 0.423 0.0466 1.46 0.446 0.0629 1.86 2.3531 0.9929 3178591 Maybridge4_003369 Cc1ccc(cc1)C(=O)/C=C\2/NCCNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J04 compound treatment 0.361 -0.0154 -0.48 0.368 -0.0151 -0.45 -0.6597 -0.9992 3178682 Maybridge4_003370 CC(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J05 compound treatment 0.417 0.0406 1.28 0.386 0.00288 0.09 0.9625 0.7526 1447328 Maybridge4_003371 CC(C)(C)C(=O)CC(Nc1ccccc1)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J06 compound treatment 0.388 0.0116 0.36 0.384 8.75E-4 0.03 0.2758 0.7555 1256088 Maybridge4_003372 C=CCC1(CCCCC1)NCCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J07 compound treatment 0.374 -0.00242 -0.08 0.391 0.00788 0.23 0.1112 0.4531 1171716 Maybridge4_003373 CN1CCCC(C1)OC(=O)C2=C(C)NC3(O)c4ccccc4C(=O)C23O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J08 compound treatment 0.409 0.0326 1.02 0.402 0.0189 0.56 1.1199 0.9595 1583880 Maybridge4_003374 CC(C)(C)Oc1ccc(CC(CO)NC(=O)OCC2c3ccccc3-c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J09 compound treatment 0.412 0.0356 1.12 0.393 0.00988 0.29 0.998 0.863 1604468 Maybridge4_003375 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J10 compound treatment 0.42 0.0436 1.37 0.395 0.0119 0.35 1.2178 0.8608 3064861 Maybridge4_003376 Cc1cc(OC(=O)c2ccco2)nc(SCc3c(Cl)cccc3Cl)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J11 compound treatment 0.389 0.0126 0.4 0.371 -0.0121 -0.36 0.0257 0.048 3178683 Maybridge4_003377 CC(C)C1(C)N2C(=O)c3ccccc3C2=NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J12 compound treatment 0.411 0.0346 1.09 0.377 -0.00612 -0.18 0.6405 0.581 3064862 Maybridge4_003378 O=C1CS/C(=N\C2CC2)/N1Cc3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J13 compound treatment 0.377 5.81E-4 0.02 0.371 -0.0121 -0.36 -0.2411 -0.6703 1167872 Maybridge4_003379 OC(=O)CNC(=O)CSc1ccccn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J14 compound treatment 0.377 5.81E-4 0.02 0.374 -0.00912 -0.27 -0.1783 -0.6579 1457281 Maybridge4_003380 COCc1cc(OC(=O)N(C)C)nc(n1)c2ccncc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J15 compound treatment 0.384 0.00758 0.24 0.383 -1.25E-4 0.0 0.1659 0.696 3178684 Maybridge4_003381 CN(C)/C=N/n1cnc2sc3CCCCc3c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J16 compound treatment 0.396 0.0196 0.62 0.391 0.00788 0.23 0.6004 0.9118 3178685 Maybridge4_003382 NC(=N)NC(=N)Nc1cc(n[nH]1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J17 compound treatment 0.385 0.00858 0.27 0.379 -0.00412 -0.12 0.1044 0.3523 1294257 Maybridge4_003383 COc1cc(Cc2cc(OC)c(C)cc2OC)c(OC)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J18 compound treatment 0.381 0.00458 0.14 0.385 0.00188 0.06 0.1411 0.9142 3178686 Maybridge4_003384 CCCCc1c(C)nc(nc1O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J19 compound treatment 0.398 0.0216 0.68 0.394 0.0109 0.32 0.7077 0.9421 3176922 Maybridge4_003385 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J20 compound treatment 0.398 0.0216 0.68 0.384 8.75E-4 0.03 0.4982 0.7336 3064863 Maybridge4_003386 COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J21 compound treatment 0.4 0.0236 0.74 0.398 0.0149 0.44 0.836 0.9691 1169652 Maybridge4_003387 C1CN(CCO1)c2c3CCc4ccccc4-c3nc5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J22 compound treatment 0.388 0.0116 0.36 0.396 0.0129 0.38 0.5272 0.9997 1608425 Maybridge4_003388 CCCC1=NN(C(=O)C(C)(C)C)C(=O)C1Cc2c(F)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J23 mock treatment 0.373 -0.00342 -0.11 0.381 -0.00212 -0.06 -0.1206 -0.9675 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 J24 mock treatment 0.402 0.0256 0.8 0.405 0.0219 0.65 1.0271 0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K01 compound treatment 0.478 0.102 3.19 0.514 0.131 3.88 5.0007 0.9954 3064864 Maybridge4_003389 CSC1=N/C(=C\c2ccccc2O)/C(=O)N1Cc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K02 compound treatment 0.379 0.00258 0.08 0.385 0.00188 0.06 0.0967 0.9829 1422721 Maybridge4_003390 CCOC(=O)c1cnn(C(=O)COc2ccc(C)c3CCCc32)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K03 compound treatment 0.379 0.00258 0.08 0.381 -0.00212 -0.06 0.0129 0.1251 3178687 Maybridge4_003391 CSC1=N/C(=C\c2ccc(Cl)cc2)/C(=O)N1CCc3c[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K04 compound treatment 0.379 0.00258 0.08 0.38 -0.00312 -0.09 -0.0081 -0.0658 1502240 Maybridge4_003392 COC(=O)c1[nH]c(C(=O)OC)c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K05 compound treatment 0.369 -0.00742 -0.23 0.383 -1.25E-4 0.0 -0.1676 -0.7182 3064865 Maybridge4_003393 COc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K06 compound treatment 0.37 -0.00642 -0.2 0.387 0.00388 0.11 -0.0615 -0.265 3178688 Maybridge4_003394 CCOC(=O)/C=C(\C)/Nc1cccc(N\C(=C\C(=O)OCC)\C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K07 compound treatment 0.369 -0.00742 -0.23 0.382 -0.00112 -0.03 -0.1885 -0.8 3064866 Maybridge4_003395 FC(F)(F)c1ccc(cc1)c2nc(NC(=O)Nc3ccccc3)cs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K08 compound treatment 0.395 0.0186 0.58 0.405 0.0219 0.65 0.8715 0.9987 1570272 Maybridge4_003396 CCC1N(CCc2c1[nH]c3ccccc23)C(=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K09 compound treatment 0.39 0.0136 0.43 0.395 0.0119 0.35 0.5508 0.9954 3064867 Maybridge4_003397 FC(F)(F)c1ccncc1C(=O)NC(=O)Nc2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K10 compound treatment 0.379 0.00258 0.08 0.407 0.0239 0.71 0.5576 0.7831 1687043 Maybridge4_003398 Cc1cc(C)c(COc2ccc3C(=O)CC(C)(C)Oc3c2C)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K11 compound treatment 0.388 0.0116 0.36 0.354 -0.0291 -0.86 -0.3528 -0.3766 3064868 Maybridge4_003399 FC(F)(F)c1ccc(nc1)n2nc(oc2=O)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K12 compound treatment 0.396 0.0196 0.62 0.363 -0.0201 -0.6 0.0137 0.016 1713701 Maybridge4_003400 COc1cccc(c1)C2CCN(CC2)C(=O)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K13 compound treatment 0.382 0.00558 0.18 0.37 -0.0131 -0.39 -0.1509 -0.3537 3064869 Maybridge4_003401 Cc1cc(C)c2c(=O)cc(oc2c1)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K14 compound treatment 0.405 0.0286 0.9 0.385 0.00188 0.06 0.6747 0.7494 3178689 Maybridge4_003402 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccnc2Sc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K15 compound treatment 0.39 0.0136 0.43 0.368 -0.0151 -0.45 -0.015 -0.0242 1294252 Maybridge4_003403 CCOC(=O)c1cnn2c1nc(Sc3ccc(C)cc3)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K16 compound treatment 0.385 0.00858 0.27 0.369 -0.0141 -0.42 -0.1052 -0.2112 1553374 Maybridge4_003404 C1CN(CCO1)c2nnc(c3ccccc3)c(n2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K17 compound treatment 0.391 0.0146 0.46 0.369 -0.0141 -0.42 0.0282 0.0455 1663105 Maybridge4_003405 COc1ccc(Cc2cc(n[nH]c2=O)c3cccs3)c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K18 compound treatment 0.398 0.0216 0.68 0.384 8.75E-4 0.03 0.4982 0.7336 3064947 Maybridge4_003406 OC[C@H]1OC(Oc2ccc(cc2)c3coc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K19 compound treatment 0.383 0.00658 0.21 0.364 -0.0191 -0.57 -0.2544 -0.4217 1252838 Maybridge4_003407 Cc1cc(C)n(NC(=S)NC2CCCC2)c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K20 compound treatment 0.4 0.0236 0.74 0.394 0.0109 0.32 0.7522 0.9304 1353357 Maybridge4_003408 S=C1CC(Sc2ccccc2N1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K21 compound treatment 0.366 -0.0104 -0.33 0.368 -0.0151 -0.45 -0.5486 -0.9881 1332355 Maybridge4_003409 CC(=O)N1CCc2cc(NC(=S)NC3CCCCCC3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K22 compound treatment 0.368 -0.00842 -0.26 0.374 -0.00912 -0.27 -0.3784 -0.9999 3064948 Maybridge4_003410 CNC(=O)c1cc(OC)ccc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K23 mock treatment 0.367 -0.00942 -0.3 0.39 0.00688 0.2 -0.0654 -0.1819 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 K24 mock treatment 0.381 0.00458 0.14 0.384 8.75E-4 0.03 0.1202 0.8212 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L01 compound treatment 0.395 0.0186 0.58 0.411 0.0279 0.83 0.9972 0.9856 3064949 Maybridge4_003411 Cc1ncc(CO)c(/C=N/O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L02 compound treatment 0.399 0.0226 0.71 0.392 0.00888 0.26 0.688 0.9087 2085598 Maybridge4_003412 CSc1sc(=S)sc1SC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L03 compound treatment 0.356 -0.0204 -0.64 0.375 -0.00812 -0.24 -0.6242 -0.9104 1341478 Maybridge4_003413 NNC(=O)CC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L04 compound treatment 0.374 -0.00242 -0.08 0.388 0.00488 0.14 0.0484 0.2962 1914392 Maybridge4_003414 O=C(c1ccccc1)n2ccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L05 compound treatment 0.384 0.00758 0.24 0.375 -0.00812 -0.24 -0.0017 -0.005 3178690 Maybridge4_003415 C(SC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L06 compound treatment 0.356 -0.0204 -0.64 0.358 -0.0251 -0.74 -0.9804 -0.9973 1103414 Maybridge4_003416 OC(=O)C1CCCN1C(=O)OCC2c3ccccc3-c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L07 compound treatment 0.392 0.0156 0.49 0.416 0.0329 0.97 1.0352 0.9494 3064950 Maybridge4_003417 Oc1ccccc1c2cc(c(C#N)c(=O)[nH]2)c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L08 compound treatment 0.394 0.0176 0.55 0.381 -0.00212 -0.06 0.3464 0.6225 3178691 Maybridge4_003418 FC(F)(F)c1cccc(c1)N2CCN(CC2)C3=Cc4ccccc4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L09 compound treatment 0.401 0.0246 0.77 0.376 -0.00712 -0.21 0.3972 0.4958 3064952 Maybridge4_003419 O=C(/C=C\1/NCCOC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L10 compound treatment 0.376 -4.19E-4 -0.01 0.369 -0.0141 -0.42 -0.3053 -0.729 1604086 Maybridge4_003420 Clc1cccc(Cl)c1Cn2nnc(n2)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L11 compound treatment 0.407 0.0306 0.96 0.405 0.0219 0.65 1.1383 0.9816 1004954 Maybridge4_003421 N(C(=Nc1ccccc1)Nc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L12 compound treatment 0.397 0.0206 0.65 0.383 -1.25E-4 0.0 0.455 0.703 3178692 Maybridge4_003422 CC1CN(CC(C)O1)c2ccc(NC(=S)NCc3ccco3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L13 compound treatment 0.39 0.0136 0.43 0.37 -0.0131 -0.39 0.0269 0.0467 3178693 Maybridge4_003423 FC(F)(F)C(NC(=O)Oc1ccccc1)(Oc2ccccc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L14 compound treatment 0.373 -0.00342 -0.11 0.374 -0.00912 -0.27 -0.2672 -0.9183 3064954 Maybridge4_003424 COCc1cc(O)nc(SCC(=O)C(C)(C)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L15 compound treatment 0.376 -4.19E-4 -0.01 0.366 -0.0171 -0.51 -0.3681 -0.7252 1022292 Maybridge4_003425 O=C1NC(Cc2ccccc2)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L16 compound treatment 0.377 5.81E-4 0.02 0.381 -0.00212 -0.06 -0.0316 -0.4822 3064955 Maybridge4_003426 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nnn(CC(=O)c3ccc(Cl)cc3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L17 compound treatment 0.459 0.0826 2.6 0.446 0.0629 1.86 3.1535 0.9867 1517030 Maybridge4_003427 CC(=O)Oc1ccc(OC(=O)C)c2cc3c(OC(=O)C)ccc(OC(=O)C)c3cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L18 compound treatment 0.391 0.0146 0.46 0.386 0.00288 0.09 0.3844 0.8244 3064957 Maybridge4_003428 CCN(CC)C(=S)Oc1nc(nc(C)c1CC(=C)C)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L19 compound treatment 0.371 -0.00542 -0.17 0.367 -0.0161 -0.48 -0.4584 -0.9035 1414175 Maybridge4_003429 NNC(=O)C1C(C1c2ccccc2)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L20 compound treatment 0.394 0.0176 0.55 0.38 -0.00312 -0.09 0.3254 0.5806 1151671 Maybridge4_003430 CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1CC3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L21 compound treatment 0.36 -0.0164 -0.52 0.36 -0.0231 -0.69 -0.8496 -0.9903 1294591 Maybridge4_003431 C1CCN(CC1)c2cc(nc3ccccc23)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L22 compound treatment 0.392 0.0156 0.49 0.392 0.00888 0.26 0.5324 0.9575 3178694 Maybridge4_003432 CCCC1=NN(C(=O)/C=C/c2cccs2)C(=O)C1Cc3c(F)cccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L23 mock treatment 0.373 -0.00342 -0.11 0.364 -0.0191 -0.57 -0.4767 -0.8265 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 L24 mock treatment 0.379 0.00258 0.08 0.382 -0.00112 -0.03 0.0338 0.3854 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M01 compound treatment 0.405 0.0286 0.9 0.393 0.00988 0.29 0.8424 0.8913 1614322 Maybridge4_003433 CC(C)NC(=O)N(Cc1ccccc1)Cc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M02 compound treatment 0.392 0.0156 0.49 0.407 0.0239 0.71 0.8467 0.9839 1632856 Maybridge4_003434 CCCCn1c(O)cc(C)c(C#N)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M03 compound treatment 0.408 0.0316 0.99 0.448 0.0649 1.92 2.0615 0.9528 3178695 Maybridge4_003435 CSC1=N/C(=C\Nc2cccc(Cl)c2)/C(=O)N1Cc3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M04 compound treatment 0.376 -4.19E-4 -0.01 0.385 0.00188 0.06 0.03 0.5247 1626500 Maybridge4_003436 S=C(NCC1CC1)Nc2ccc3[nH]ccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M05 compound treatment 0.386 0.00958 0.3 0.387 0.00388 0.11 0.2942 0.9126 3178774 Maybridge4_003437 FC(F)(F)c1ccncc1C(=O)Nc2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M06 compound treatment 0.386 0.00958 0.3 0.379 -0.00412 -0.12 0.1266 0.3894 3064958 Maybridge4_003438 NNC(=O)CC1=Nn2c(nnc2SC1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M07 compound treatment 0.369 -0.00742 -0.23 0.37 -0.0131 -0.39 -0.44 -0.9701 3178775 Maybridge4_003439 CCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c2cnc(OC)cc2C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M08 compound treatment 0.379 0.00258 0.08 0.382 -0.00112 -0.03 0.0338 0.3854 1042478 Maybridge4_003440 CNc1cc(=O)n(C)c(=O)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M09 compound treatment 0.395 0.0186 0.58 0.388 0.00488 0.14 0.5153 0.8562 3064959 Maybridge4_003441 Fc1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M10 compound treatment 0.451 0.0746 2.35 0.418 0.0349 1.03 2.3889 0.9322 1313888 Maybridge4_003442 COc1cc(ccc1O)C2=NC(O)C(=O)Nc3ccc(Cl)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M11 compound treatment 0.362 -0.0144 -0.45 0.359 -0.0241 -0.71 -0.8261 -0.9759 3064960 Maybridge4_003443 NNC(=O)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M12 compound treatment 0.389 0.0126 0.4 0.387 0.00388 0.11 0.3609 0.8762 3178776 Maybridge4_003444 Fc1ccc(cc1)c2nnc(CSCc3cccc4ccccc34)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M13 compound treatment 0.368 -0.00842 -0.26 0.362 -0.0211 -0.63 -0.6298 -0.9267 3178777 Maybridge4_003445 Clc1ccc(cc1)C(=O)CC(C(=O)c2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M14 compound treatment 0.409 0.0326 1.02 0.4 0.0169 0.5 1.078 0.9456 3064961 Maybridge4_003446 Nn1c(cc(c(C#N)c1=O)C(F)(F)F)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M15 compound treatment 0.434 0.0576 1.81 0.432 0.0489 1.45 2.3043 0.9939 3178778 Maybridge4_003447 CCOC(=O)c1cnn2c1nc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M16 compound treatment 0.4 0.0236 0.74 0.383 -1.25E-4 0.0 0.5217 0.7036 1593342 Maybridge4_003448 CC(C)NC(=O)c1cccc2cccc(Sc3ccccc3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M17 compound treatment 0.42 0.0436 1.37 0.408 0.0249 0.74 1.4902 0.9577 1609655 Maybridge4_003449 O=c1[nH]nc(cc1CC2CCCCC2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M18 compound treatment 0.389 0.0126 0.4 0.38 -0.00312 -0.09 0.2142 0.5273 1690877 Maybridge4_003450 O=c1n(c2ccccc2)c(=O)n3C4CCC(C4)n31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M19 compound treatment 0.387 0.0106 0.33 0.384 8.75E-4 0.03 0.2536 0.7599 1634815 Maybridge4_003451 Cc1cc(C)n(NC(=S)NCc2cccs2)c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M20 compound treatment 0.395 0.0186 0.58 0.381 -0.00212 -0.06 0.3686 0.6273 3065001 Maybridge4_003452 C1Sc2ccccc2C3=Nc4ccccc4SC(C13)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M21 compound treatment 0.399 0.0226 0.71 0.403 0.0199 0.59 0.9185 0.9957 3065002 Maybridge4_003453 CN(C)/C=C/C(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M22 compound treatment 0.385 0.00858 0.27 0.375 -0.00812 -0.24 0.0205 0.0568 3065003 Maybridge4_003454 NC(=O)c1cc(Cl)ccc1I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M23 mock treatment 0.385 0.00858 0.27 0.375 -0.00812 -0.24 0.0205 0.0568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 M24 mock treatment 0.389 0.0126 0.4 0.39 0.00688 0.2 0.4238 0.9524 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N01 compound treatment 0.404 0.0276 0.87 0.403 0.0199 0.59 1.0297 0.9822 1588083 Maybridge4_003455 CC(=O)Oc1ccc(cc1)c2coc3cc(OC(=O)C)cc(OC(=O)C)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N02 compound treatment 0.381 0.00458 0.14 0.374 -0.00912 -0.27 -0.0893 -0.2916 1124592 Maybridge4_003456 CC1CC2(CCCCC2)N(Cc3ccccc13)S(=O)(=O)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N03 compound treatment 0.378 0.00158 0.05 0.388 0.00488 0.14 0.1373 0.8987 3065004 Maybridge4_003457 CNC(=S)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N04 compound treatment 0.365 -0.0114 -0.36 0.371 -0.0121 -0.36 -0.5079 -1.0 1007974 Maybridge4_003458 O=C(Nc1ccccc1)OC2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N05 compound treatment 0.416 0.0396 1.24 0.416 0.0329 0.97 1.5689 0.9927 3178779 Maybridge4_003459 CC(CNc1ccccc1)/C(=N/c2ccccc2)/Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N06 compound treatment 0.38 0.00358 0.11 0.381 -0.00212 -0.06 0.0351 0.272 1711036 Maybridge4_003460 CC1(C)c2ccccc2N3CC(=O)N(CC=C)C31C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N07 compound treatment 0.371 -0.00542 -0.17 0.378 -0.00512 -0.15 -0.2279 -0.9983 854262 Maybridge4_003461 CC(N)(Cc1cccc(O)c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N08 compound treatment 0.347 -0.0294 -0.93 0.362 -0.0211 -0.63 -1.0967 -0.9819 1129507 Maybridge4_003462 CC(N(C(=O)c1sc2ccccc2c1Cl)c3ccccn3)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N09 compound treatment 0.377 5.81E-4 0.02 0.371 -0.0121 -0.36 -0.2411 -0.6703 1387784 Maybridge4_003463 COc1ccc(Sc2ccccc2COC(=O)C)c(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N10 compound treatment 0.379 0.00258 0.08 0.369 -0.0141 -0.42 -0.2386 -0.5596 1366361 Maybridge4_003464 NNC(=O)Cn1nnc(n1)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N11 compound treatment 0.37 -0.00642 -0.2 0.372 -0.0111 -0.33 -0.3758 -0.9723 3178780 Maybridge4_003465 CC1(C)NCS[C@H]1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N12 compound treatment 0.378 0.00158 0.05 0.373 -0.0101 -0.3 -0.177 -0.582 2078075 Maybridge4_003466 CC[n+]1c(C)csc1Nc2ccc(cc2)N3CC(C)OC(C)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N13 compound treatment 0.413 0.0366 1.15 0.406 0.0229 0.68 1.2926 0.9682 3178781 Maybridge4_003467 CCOC(NC(=O)Nc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N14 compound treatment 0.383 0.00658 0.21 0.371 -0.0121 -0.36 -0.1077 -0.2599 3065007 Maybridge4_003468 FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N15 compound treatment 0.39 0.0136 0.43 0.391 0.00788 0.23 0.467 0.9596 1675436 Maybridge4_003469 CCOC(=O)c1c(C)n(O)c2ccc3nonc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N16 compound treatment 0.369 -0.00742 -0.23 0.369 -0.0141 -0.42 -0.4609 -0.9619 1084802 Maybridge4_003470 CC(C)CCc1c(C)nc(N)nc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N17 compound treatment 0.361 -0.0154 -0.48 0.359 -0.0241 -0.71 -0.8483 -0.9821 1383041 Maybridge4_003471 Clc1ccc(C(=O)N2CCC(CC2)NC(=O)c3ccccc3)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N18 compound treatment 0.414 0.0376 1.18 0.403 0.0199 0.59 1.252 0.9483 3065008 Maybridge4_003472 CS/C(=N/C(C)(C)C)/Nc1ccccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N19 compound treatment 0.365 -0.0114 -0.36 0.374 -0.00912 -0.27 -0.4451 -0.9902 1673966 Maybridge4_003473 Cc1c(NC(=O)C(C)(C)C)c(=O)n(c2ccccc2)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N20 compound treatment 0.391 0.0146 0.46 0.398 0.0149 0.44 0.6359 0.9998 1479223 Maybridge4_003474 Cc1cc(Nc2ccc(F)c(Cl)c2)nc(NC(=O)C(C)(C)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N21 compound treatment 0.429 0.0526 1.65 0.422 0.0389 1.15 1.9836 0.9844 1920716 Maybridge4_003475 CC(C)COc1ccc(cc1)/C(=N\O)/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N22 compound treatment 0.383 0.00658 0.21 0.391 0.00788 0.23 0.3113 0.9982 3178782 Maybridge4_003476 CC(=C)CC1C(=NN(C1=O)S(=O)(=O)c2ccccc2Cl)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N23 mock treatment 0.367 -0.00942 -0.3 0.378 -0.00512 -0.15 -0.3168 -0.9518 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 N24 mock treatment 0.399 0.0226 0.71 0.402 0.0189 0.56 0.8975 0.993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O01 compound treatment 0.413 0.0366 1.15 0.426 0.0429 1.27 1.7117 0.9988 3178783 Maybridge4_003477 CSC1=N/C(=C\c2ccc(Cl)cc2)/C(=O)N1CCOc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O02 compound treatment 0.426 0.0496 1.56 0.429 0.0459 1.36 2.0636 0.9977 3065009 Maybridge4_003478 Cc1ccc(OCc2nnc(S)n2C3CCCCC3)c4CCCc41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O03 compound treatment 0.366 -0.0104 -0.33 0.39 0.00688 0.2 -0.0876 -0.2271 1042314 Maybridge4_003479 CNC(=O)Nc1cccc2cccnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O04 compound treatment 0.353 -0.0234 -0.74 0.369 -0.0141 -0.42 -0.8167 -0.9642 1378461 Maybridge4_003480 S=C(NC1CCCCC1)Nc2ccc3[nH]ccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O05 compound treatment 0.377 5.81E-4 0.02 0.382 -0.00112 -0.03 -0.0107 -0.2805 3178784 Maybridge4_003481 FC(F)(F)c1ccncc1C(=O)NCc2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O06 compound treatment 0.393 0.0166 0.52 0.395 0.0119 0.35 0.6175 0.9817 3065010 Maybridge4_003482 CC(C)(C)C(=S)Nc1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O07 compound treatment 0.377 5.81E-4 0.02 0.365 -0.0181 -0.54 -0.3669 -0.6827 3178785 Maybridge4_003483 COc1cccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O08 compound treatment 0.395 0.0186 0.58 0.394 0.0109 0.32 0.641 0.9607 1115300 Maybridge4_003484 NNC(=O)COc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O09 compound treatment 0.395 0.0186 0.58 0.397 0.0139 0.41 0.7038 0.9852 3178786 Maybridge4_003485 NC(=O)C1=CN(CCC1C(F)(F)F)C(=O)Nc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O10 compound treatment 0.4 0.0236 0.74 0.395 0.0119 0.35 0.7731 0.942 1008942 Maybridge4_003486 Cc1cccc(NC(=O)Nc2cccc(C)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O11 compound treatment 0.415 0.0386 1.21 0.418 0.0349 1.03 1.5885 0.9968 3178787 Maybridge4_003487 FC(F)(F)COc1ncccc1C(=O)NCc2ccc(Cl)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O12 compound treatment 0.402 0.0256 0.8 0.387 0.00388 0.11 0.6499 0.7999 1449652 Maybridge4_003488 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(CNC(=O)c4ccccc4)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O13 compound treatment 0.395 0.0186 0.58 0.391 0.00788 0.23 0.5781 0.9189 3178788 Maybridge4_003489 COC(=O)c1cc2cc(Br)ccc2c(Br)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O14 compound treatment 0.408 0.0316 0.99 0.392 0.00888 0.26 0.8881 0.8646 1523809 Maybridge4_003490 CCOC(=O)COc1nc(C)c(CC=C)c(C)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O15 compound treatment 0.425 0.0486 1.53 0.4 0.0169 0.5 1.4337 0.892 1444175 Maybridge4_003491 CCOC(=O)c1cnn2c1nc(N3CC(C)CC(C)C3)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O16 compound treatment 0.426 0.0496 1.56 0.431 0.0479 1.42 2.1055 0.9989 3065040 Maybridge4_003492 O=C1/C(=C/c2ccc3ccccc3c2)/COc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O17 compound treatment 0.405 0.0286 0.9 0.393 0.00988 0.29 0.8424 0.8913 3065041 Maybridge4_003493 Cc1cc(CO)cc(C)c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O18 compound treatment 0.403 0.0266 0.84 0.394 0.0109 0.32 0.8189 0.9141 1280927 Maybridge4_003494 O=c1n(c2ccccc2)c(=O)n3C4CC(C=C4)n31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O19 compound treatment 0.386 0.00958 0.3 0.392 0.00888 0.26 0.399 0.9977 3065042 Maybridge4_003495 CC1=C(Sc2ccccc2N1)C(=O)Nn3cnc4cccc(F)c4c3=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O20 compound treatment 0.402 0.0256 0.8 0.409 0.0259 0.77 1.1109 0.9997 3065043 Maybridge4_003496 Cc1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O21 compound treatment 0.397 0.0206 0.65 0.44 0.0569 1.69 1.6493 0.9136 1222795 Maybridge4_003497 CCOC(=O)c1cnn(C(=O)COc2ccc(cc2C(C)(C)C)C(C)(C)C)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O22 compound treatment 0.441 0.0646 2.03 0.436 0.0529 1.57 2.5438 0.9918 3065044 Maybridge4_003498 Cc1cc(nc2CC(C)(C)C/C(=N/O)/c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O23 mock treatment 0.403 0.0266 0.84 0.409 0.0259 0.77 1.1331 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 O24 mock treatment 0.405 0.0286 0.9 0.407 0.0239 0.71 1.1357 0.993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P01 compound treatment 0.42 0.0436 1.37 0.423 0.0399 1.18 1.8045 0.9973 1411988 Maybridge4_003499 O=C(CC#N)NC(=O)NC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P02 compound treatment 0.421 0.0446 1.4 0.422 0.0389 1.15 1.8057 0.9952 1452749 Maybridge4_003500 CC1CC2(CCCCC2)N(Cc3ccccc13)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P03 compound treatment 0.444 0.0676 2.12 0.442 0.0589 1.74 2.7362 0.9952 2102798 Maybridge4_003501 COC(=O)/C=C\1/OC(=CC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P04 compound treatment 0.397 0.0206 0.65 0.4 0.0169 0.5 0.8112 0.9919 1582498 Maybridge4_003502 CC(=O)NC(=O)NCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P05 compound treatment 0.401 0.0246 0.77 0.419 0.0359 1.06 1.2982 0.9877 3065047 Maybridge4_003503 CCOC(=O)CC1=NC(=O)CS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P06 compound treatment 0.408 0.0316 0.99 0.405 0.0219 0.65 1.1605 0.9786 1631994 Maybridge4_003504 Cc1ccc2N3CC(=O)N(Cc4ccccc4)C3(C)C(C)(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P07 compound treatment 0.401 0.0246 0.77 0.404 0.0209 0.62 0.9839 0.9939 3065048 Maybridge4_003505 CC(=O)N1CC(O)C[C@H]1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P08 compound treatment 0.4 0.0236 0.74 0.42 0.0369 1.09 1.2969 0.9822 3178789 Maybridge4_003506 CN1N=C(C)C(Cc2c(Cl)cccc2Cl)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P09 compound treatment 0.402 0.0256 0.8 0.389 0.00588 0.17 0.6919 0.8407 1247915 Maybridge4_003507 O=C(Oc1ccc(Oc2ccccc2)cc1)N3CCC(CC3)OC(=O)n4ccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P10 compound treatment 0.525 0.149 4.67 0.571 0.188 5.57 7.24 0.9962 3065049 Maybridge4_003508 CN(C)/N=C(\Cn1nnc(n1)N2CCCC2)/c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P11 compound treatment 0.394 0.0176 0.55 0.403 0.0199 0.59 0.8073 0.9995 1294581 Maybridge4_003509 OC(=O)c1ccc2cc[nH]c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P12 compound treatment 0.372 -0.00442 -0.14 0.383 -1.25E-4 0.0 -0.1009 -0.7257 1153919 Maybridge4_003510 CC(C)(C)c1ccc(NC(=S)NCc2cccnc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P13 compound treatment 0.404 0.0276 0.87 0.412 0.0289 0.86 1.2182 1.0 3178790 Maybridge4_003511 CN(C)C(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P14 compound treatment 0.414 0.0376 1.18 0.419 0.0359 1.06 1.5872 0.9986 1634696 Maybridge4_003512 OCN1N=C(CCC1=O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P15 compound treatment 0.412 0.0356 1.12 0.406 0.0229 0.68 1.2704 0.9712 1538301 Maybridge4_003513 OC(=O)CCn1nc(Nc2ccccc2)n(c3ccccc3)c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P16 compound treatment 0.415 0.0386 1.21 0.405 0.0219 0.65 1.3161 0.9569 3065050 Maybridge4_003514 COCc1nc(S)nc(O)c1Cc2c(F)cccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P17 compound treatment 0.433 0.0566 1.78 0.424 0.0409 1.21 2.1144 0.9824 1358448 Maybridge4_003515 COc1ccccc1C2CCN(CC2)C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P18 compound treatment 0.395 0.0186 0.58 0.378 -0.00512 -0.15 0.3057 0.5065 3065051 Maybridge4_003516 CC(C)(C)NC(=S)NCC1CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P19 compound treatment 0.43 0.0536 1.68 0.423 0.0399 1.18 2.0268 0.9849 1357507 Maybridge4_003517 Clc1ccc(Nc2ccc(nn2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P20 compound treatment 0.411 0.0346 1.09 0.421 0.0379 1.12 1.5624 0.9999 1680143 Maybridge4_003518 Cc1cc(Nc2ccc(F)cc2)nc(SCc3c(Cl)cccc3Cl)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P21 compound treatment 0.393 0.0166 0.52 0.387 0.00388 0.11 0.4498 0.8426 1714479 Maybridge4_003519 CCOC(=O)N1CCN(CC(O)Cn2c(=O)n(C)c3ncn(C)c3c2=O)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P22 compound treatment 0.46 0.0836 2.63 0.443 0.0599 1.77 3.1129 0.9817 3178866 Maybridge4_003520 CCCC1=NN(C(=O)C1CC=C)S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P23 mock treatment 0.404 0.0276 0.87 0.402 0.0189 0.56 1.0087 0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2058 P24 mock treatment 0.432 0.0556 1.75 0.43 0.0469 1.39 2.2179 0.9935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A01 compound treatment 0.408 0.0422 1.33 0.393 0.0443 1.31 1.8656 1.0 3178890 Maybridge4_004577 CC(C)(C)c1ccc(SC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A02 compound treatment 0.389 0.0232 0.73 0.368 0.0193 0.57 0.9194 0.9926 1333720 Maybridge4_004578 COc1ccc(OCc2ncc(s2)c3ccc4OCCCOc4c3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A03 compound treatment 0.386 0.0202 0.64 0.374 0.0253 0.75 0.9784 0.9967 1593366 Maybridge4_004579 Cc1nn(c(N)c1c2nc(cs2)c3ccccc3)c4cc(Cl)ccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A04 compound treatment 0.362 -0.0038 -0.12 0.36 0.0113 0.33 0.1514 0.4275 3178891 Maybridge4_004580 Cc1ccc(cc1F)c2nc(cs2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A05 compound treatment 0.386 0.0202 0.64 0.366 0.0173 0.51 0.8108 0.9942 3065742 Maybridge4_004581 FC(F)(F)Oc1ccc(cc1)C(=O)Nc2ccc(nc2)N3CCC(CC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A06 compound treatment 0.365 -7.96E-4 -0.03 0.364 0.0153 0.45 0.3019 0.6669 3178892 Maybridge4_004582 Cc1c(C#N)c(SCc2cccc(c2)C(F)(F)F)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A07 compound treatment 0.404 0.0382 1.2 0.4 0.0513 1.52 1.9234 0.9933 3178893 Maybridge4_004583 CCOC(=O)c1cc(C#N)c(Sc2ccc(C)cc2)nc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A08 compound treatment 0.392 0.0262 0.82 0.385 0.0363 1.07 1.3423 0.9914 3065743 Maybridge4_004584 Cn1nc(c2cccc(c2)C3OCCO3)c(=O)n(C)c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A09 compound treatment 0.382 0.0162 0.51 0.377 0.0283 0.84 0.9523 0.9716 3178894 Maybridge4_004585 Cc1nc(cs1)C(=N)NC(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A10 compound treatment 0.388 0.0222 0.7 0.386 0.0373 1.1 1.2743 0.9756 3065744 Maybridge4_004586 CC1=N/C(=C\c2sccc2C)/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A11 compound treatment 0.387 0.0212 0.67 0.379 0.0303 0.9 1.1054 0.9894 1220314 Maybridge4_004587 Cc1cc(C)n(Cc2ccccc2)c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A12 compound treatment 0.378 0.0122 0.38 0.379 0.0303 0.9 0.9053 0.9283 3178895 Maybridge4_004588 Cc1ccccc1c2nnc(o2)c3cc(nn3Cc4ccc(F)cc4)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A13 compound treatment 0.399 0.0332 1.04 0.389 0.0403 1.19 1.5817 0.9978 3178896 Maybridge4_004589 FC(F)(F)COc1ccc(cn1)c2nnc(SCc3ccccc3C(F)(F)F)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A14 compound treatment 0.407 0.0412 1.3 0.365 0.0163 0.48 1.2567 0.9092 3065746 Maybridge4_004590 CN(C)/C=C/C(=O)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A15 compound treatment 0.371 0.0052 0.16 0.369 0.0203 0.6 0.5401 0.8682 3178897 Maybridge4_004591 CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N2CCN(CC2)C(=O)c3snnc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A16 compound treatment 0.377 0.0112 0.35 0.368 0.0193 0.57 0.6526 0.9731 3065747 Maybridge4_004592 CC1CCCCN1C(=S)Nc2cccc(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A17 compound treatment 0.378 0.0122 0.38 0.397 0.0483 1.43 1.2824 0.8662 3178898 Maybridge4_004593 FC(F)(F)c1ccc(nc1)c2nnc(c3ccccn3)c(n2)c4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A18 compound treatment 0.377 0.0112 0.35 0.371 0.0223 0.66 0.7154 0.9569 3065748 Maybridge4_004594 CC(C)n1c(=S)[nH]c2cc(ccc12)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A19 compound treatment 0.358 -0.0078 -0.25 0.37 0.0213 0.63 0.272 0.4025 3178899 Maybridge4_004595 COc1ccc(OCC(=N)NC(=S)Nc2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A20 compound treatment 0.339 -0.0268 -0.84 0.36 0.0113 0.33 -0.3599 -0.3972 3065749 Maybridge4_004596 Clc1ccc(NC(=C(C#N)C#N)NC(=O)c2ccccc2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A21 compound treatment 0.383 0.0172 0.54 0.385 0.0363 1.07 1.1422 0.9496 3178900 Maybridge4_004597 FC(F)(F)c1cc(nc(Sc2ccccc2NC(=O)c3cccs3)c1C#N)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A22 mock treatment 0.364 -0.0018 -0.06 0.352 0.00326 0.1 0.0283 0.253 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A23 mock treatment 0.382 0.0162 0.51 0.366 0.0173 0.51 0.7218 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 A24 mock treatment 0.377 0.0112 0.35 0.363 0.0143 0.42 0.5478 0.9959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B01 mock treatment 0.354 -0.0118 -0.37 0.352 0.00326 0.1 -0.1941 -0.5063 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B02 mock treatment 0.355 -0.0108 -0.34 0.38 0.0313 0.93 0.4148 0.4206 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B03 mock treatment 0.365 -7.96E-4 -0.03 0.343 -0.00574 -0.17 -0.1381 -0.8025 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B04 mock treatment 0.347 -0.0188 -0.59 0.343 -0.00574 -0.17 -0.5383 -0.8752 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B05 mock treatment 0.345 -0.0208 -0.65 0.343 -0.00574 -0.17 -0.5827 -0.8624 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B06 mock treatment 0.342 -0.0238 -0.75 0.338 -0.0107 -0.32 -0.7542 -0.9275 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B07 mock treatment 0.347 -0.0188 -0.59 0.337 -0.0117 -0.35 -0.664 -0.9681 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B08 mock treatment 0.348 -0.0178 -0.56 0.358 0.00926 0.27 -0.2017 -0.3237 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B09 mock treatment 0.355 -0.0108 -0.34 0.345 -0.00374 -0.11 -0.3185 -0.8918 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B10 mock treatment 0.364 -0.0018 -0.06 0.349 2.56E-4 0.01 -0.0346 -0.6068 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B11 mock treatment 0.346 -0.0198 -0.62 0.351 0.00226 0.07 -0.3929 -0.6276 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B12 mock treatment 0.365 -7.96E-4 -0.03 0.354 0.00526 0.16 0.0924 0.5859 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B13 mock treatment 0.37 0.0042 0.13 0.351 0.00226 0.07 0.1407 0.9501 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B14 mock treatment 0.364 -0.0018 -0.06 0.349 2.56E-4 0.01 -0.0346 -0.6068 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B15 mock treatment 0.352 -0.0138 -0.43 0.338 -0.0107 -0.32 -0.5319 -0.9884 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B16 mock treatment 0.364 -0.0018 -0.06 0.35 0.00126 0.04 -0.0136 -0.2015 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B17 mock treatment 0.358 -0.0078 -0.25 0.342 -0.00674 -0.2 -0.3147 -0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B18 mock treatment 0.359 -0.0068 -0.21 0.345 -0.00374 -0.11 -0.2296 -0.9534 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B19 mock treatment 0.353 -0.0128 -0.4 0.335 -0.0137 -0.41 -0.5725 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B20 mock treatment 0.379 0.0132 0.42 0.329 -0.0197 -0.59 -0.1201 -0.1674 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B21 mock treatment 0.379 0.0132 0.42 0.371 0.0223 0.66 0.7599 0.9751 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B22 mock treatment 0.361 -0.0048 -0.15 0.345 -0.00374 -0.11 -0.1851 -0.9886 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B23 mock treatment 0.364 -0.0018 -0.06 0.361 0.0123 0.36 0.2169 0.59 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 B24 mock treatment 0.385 0.0192 0.6 0.377 0.0283 0.84 1.019 0.9871 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C01 compound treatment 0.369 0.0032 0.1 0.362 0.0133 0.39 0.349 0.8606 3065750 Maybridge4_004598 FC(F)(F)c1cccc(NC(=O)CCn2cccc(c2=O)C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C02 compound treatment 0.406 0.0402 1.26 0.444 0.0953 2.82 2.8898 0.9344 3178901 Maybridge4_004599 Oc1ccc2c(CSc3ccc(Cl)cc3)cc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C03 compound treatment 0.366 2.04E-4 0.01 0.347 -0.00174 -0.05 -0.032 -0.6148 3178902 Maybridge4_004600 CN(CCOC(=O)c1snnc1C)c2ccc(C#N)cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C04 compound treatment 0.369 0.0032 0.1 0.357 0.00826 0.24 0.2442 0.9231 1339676 Maybridge4_004601 Cn1nc(cc1C(=O)Nc2cccnc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C05 compound treatment 0.348 -0.0178 -0.56 0.339 -0.00974 -0.29 -0.5998 -0.9526 3065771 Maybridge4_004602 CCCNC(=O)Nc1ccc(nc1)N2CCC(CC2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C06 compound treatment 0.359 -0.0068 -0.21 0.334 -0.0147 -0.44 -0.46 -0.9459 1741890 Maybridge4_004603 Cc1cc(C(=O)Nc2ccc(C)cc2)n(Cc3ccc(C)cc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C07 compound treatment 0.386 0.0202 0.64 0.361 0.0123 0.36 0.706 0.9648 3065772 Maybridge4_004604 CCOC(=O)c1cc(C#N)c(Nc2ccccc2OC)nc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C08 compound treatment 0.36 -0.0058 -0.18 0.348 -7.44E-4 -0.02 -0.1445 -0.7869 3065773 Maybridge4_004605 N#Cc1ccc(nc1)N2CCCNCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C09 compound treatment 0.365 -7.96E-4 -0.03 0.339 -0.00974 -0.29 -0.2219 -0.7656 3065774 Maybridge4_004606 Cc1nc(cs1)C(=N)NC(=O)c2ccc(OC(F)(F)F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C10 compound treatment 0.371 0.0052 0.16 0.351 0.00226 0.07 0.163 0.922 3065775 Maybridge4_004607 N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C11 compound treatment 0.365 -7.96E-4 -0.03 0.35 0.00126 0.04 0.0086 0.1919 3065776 Maybridge4_004608 Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1c3ccc(OCC(F)(F)F)nc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C12 compound treatment 0.358 -0.0078 -0.25 0.353 0.00426 0.13 -0.0842 -0.3053 3065777 Maybridge4_004609 Cc1cc(nn1C(C)(C)C)C(=O)Nc2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C13 compound treatment 0.38 0.0142 0.45 0.362 0.0133 0.39 0.5935 0.998 3178903 Maybridge4_004610 CSc1nnc(c2cc(OCC(F)(F)F)nc(OCC(F)(F)F)c2)n1Cc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C14 compound treatment 0.366 2.04E-4 0.01 0.34 -0.00874 -0.26 -0.1787 -0.6894 3065778 Maybridge4_004611 Fc1ccc(SCC(=O)C2(CC3CC4CC(C3)C2)C4)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C15 compound treatment 0.362 -0.0038 -0.12 0.347 -0.00174 -0.05 -0.121 -0.9298 3178904 Maybridge4_004612 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C16 compound treatment 0.367 0.0012 0.04 0.346 -0.00274 -0.08 -0.0307 -0.3427 3065781 Maybridge4_004613 Cc1cccc(NC(=S)N2CCCCC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C17 compound treatment 0.386 0.0202 0.64 0.363 0.0143 0.42 0.7479 0.9803 3178905 Maybridge4_004614 Fc1cccc(c1)C(=O)CSC2=NNC(S2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C18 compound treatment 0.377 0.0112 0.35 0.346 -0.00274 -0.08 0.1916 0.53 3065782 Maybridge4_004615 Cn1c(SCC=C)ncc1c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C19 compound treatment 0.348 -0.0178 -0.56 0.327 -0.0217 -0.64 -0.8513 -0.9975 3178906 Maybridge4_004616 Cc1ccc(NC(=S)NC(=N)COc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C20 compound treatment 0.415 0.0492 1.55 0.355 0.00626 0.19 1.2251 0.7862 3065783 Maybridge4_004617 Sc1nnc(SCC2CC2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C21 compound treatment 0.357 -0.0088 -0.28 0.34 -0.00874 -0.26 -0.3788 -0.9995 1187470 Maybridge4_004618 NC(=S)c1ccc(nc1)n2cncn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C22 mock treatment 0.343 -0.0228 -0.72 0.335 -0.0137 -0.41 -0.7948 -0.9641 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C23 mock treatment 0.366 2.04E-4 0.01 0.344 -0.00474 -0.14 -0.0949 -0.6742 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 C24 mock treatment 0.369 0.0032 0.1 0.362 0.0133 0.39 0.349 0.8606 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D01 mock treatment 0.362 -0.0038 -0.12 0.341 -0.00774 -0.23 -0.2467 -0.9536 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D02 mock treatment 0.35 -0.0158 -0.5 0.339 -0.00974 -0.29 -0.5554 -0.9667 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D03 mock treatment 0.353 -0.0128 -0.4 0.333 -0.0157 -0.47 -0.6144 -0.9973 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D04 mock treatment 0.352 -0.0138 -0.43 0.33 -0.0187 -0.56 -0.6995 -0.9925 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D05 mock treatment 0.346 -0.0198 -0.62 0.334 -0.0147 -0.44 -0.7491 -0.985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D06 mock treatment 0.357 -0.0088 -0.28 0.337 -0.0117 -0.35 -0.4416 -0.9935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D07 mock treatment 0.361 -0.0048 -0.15 0.335 -0.0137 -0.41 -0.3946 -0.9087 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D08 mock treatment 0.362 -0.0038 -0.12 0.335 -0.0137 -0.41 -0.3724 -0.8774 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D09 mock treatment 0.357 -0.0088 -0.28 0.336 -0.0127 -0.38 -0.4626 -0.9883 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D10 mock treatment 0.368 0.0022 0.07 0.328 -0.0207 -0.61 -0.3856 -0.6234 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D11 mock treatment 0.359 -0.0068 -0.21 0.334 -0.0147 -0.44 -0.46 -0.9459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D12 mock treatment 0.36 -0.0058 -0.18 0.34 -0.00874 -0.26 -0.3121 -0.9852 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D13 mock treatment 0.354 -0.0118 -0.37 0.338 -0.0107 -0.32 -0.4874 -0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D14 mock treatment 0.358 -0.0078 -0.25 0.341 -0.00774 -0.23 -0.3356 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D15 mock treatment 0.363 -0.0028 -0.09 0.331 -0.0177 -0.53 -0.434 -0.814 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D16 mock treatment 0.354 -0.0118 -0.37 0.34 -0.00874 -0.26 -0.4455 -0.9846 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D17 mock treatment 0.355 -0.0108 -0.34 0.325 -0.0237 -0.7 -0.7375 -0.9441 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D18 mock treatment 0.356 -0.0098 -0.31 0.334 -0.0147 -0.44 -0.5267 -0.9854 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D19 mock treatment 0.345 -0.0208 -0.65 0.331 -0.0177 -0.53 -0.8342 -0.9942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D20 mock treatment 0.337 -0.0288 -0.91 0.331 -0.0177 -0.53 -1.012 -0.9666 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D21 mock treatment 0.344 -0.0218 -0.69 0.325 -0.0237 -0.7 -0.9821 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D22 mock treatment 0.337 -0.0288 -0.91 0.329 -0.0197 -0.59 -1.0539 -0.9777 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D23 mock treatment 0.365 -7.96E-4 -0.03 0.334 -0.0147 -0.44 -0.3266 -0.7464 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 D24 mock treatment 0.367 0.0012 0.04 0.373 0.0243 0.72 0.535 0.7433 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E01 compound treatment 0.403 0.0372 1.17 0.386 0.0373 1.1 1.6078 0.9996 3178907 Maybridge4_004619 FC(F)(F)c1cccn(CCC(=O)Sc2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E02 compound treatment 0.419 0.0532 1.67 0.406 0.0573 1.7 2.3826 1.0 1539590 Maybridge4_004620 Oc1ccc2c(CSc3ccccn3)cc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E03 compound treatment 0.421 0.0552 1.74 0.381 0.0323 0.96 1.9032 0.9605 3178908 Maybridge4_004621 NC(=S)c1ccc(nc1)N2CCC(CC2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E04 compound treatment 1.104 0.738 23.21 0.374 0.0253 0.75 16.9423 0.7295 3178909 Maybridge4_004622 Cc1cccc(Cl)c1OC(=O)c2cc(nn2C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E05 compound treatment 0.361 -0.0048 -0.15 0.343 -0.00574 -0.17 -0.227 -0.9982 3065784 Maybridge4_004623 OC(=O)CCn1cc(ccc1=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E06 compound treatment 0.383 0.0172 0.54 0.365 0.0163 0.48 0.7231 0.9983 1605604 Maybridge4_004624 Cc1cc(C(=O)Sc2ccccc2)n(Cc3ccc(C)cc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E07 compound treatment 0.376 0.0102 0.32 0.35 0.00126 0.04 0.2532 0.7839 3065785 Maybridge4_004625 FC(F)(F)c1cccn(Cc2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E08 compound treatment 0.391 0.0252 0.79 0.377 0.0283 0.84 1.1524 0.9996 3178983 Maybridge4_004626 O=c1[nH]nc(SCc2ccccc2)n1c3ccc(OCc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E09 compound treatment 0.355 -0.0108 -0.34 0.344 -0.00474 -0.14 -0.3394 -0.9238 3065786 Maybridge4_004627 Cn1c(S)nnc1Cn2cc(ccc2=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E10 compound treatment 0.374 0.0082 0.26 0.353 0.00426 0.13 0.2716 0.9458 3178984 Maybridge4_004628 CC(=O)N/C(=C/c1ccc(Cl)c(Cl)c1)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E11 compound treatment 0.378 0.0122 0.38 0.353 0.00426 0.13 0.3605 0.8925 3065787 Maybridge4_004629 Cn1c(SCc2ccc(cc2)C(F)(F)F)nnc1c3ccc(OCC(F)(F)F)nc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E12 compound treatment 0.369 0.0032 0.1 0.351 0.00226 0.07 0.1185 0.9802 3178985 Maybridge4_004630 Clc1ccc(cc1)c2nnc(SCC3CC3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E13 compound treatment 0.364 -0.0018 -0.06 0.36 0.0113 0.33 0.1959 0.5791 3178986 Maybridge4_004631 Cc1ccccc1NC(=O)c2cccc(Cn3cc(ccc3=O)C(F)(F)F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E14 compound treatment 0.373 0.0072 0.23 0.344 -0.00474 -0.14 0.0608 0.2279 1516971 Maybridge4_004632 Cc1ccc(cc1)C(=O)CSc2nnc(o2)c3cc(nn3Cc4cccc(C)c4)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E15 compound treatment 0.367 0.0012 0.04 0.35 0.00126 0.04 0.0531 1.0 3178987 Maybridge4_004633 NNC(=N)c1ccc(cn1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E16 compound treatment 0.372 0.0062 0.2 0.35 0.00126 0.04 0.1642 0.8271 3065788 Maybridge4_004634 CC(C)N(CCC#N)CN1C(=O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E17 compound treatment 0.376 0.0102 0.32 0.35 0.00126 0.04 0.2532 0.7839 3065812 Maybridge4_004635 CC(C)c1ccc(NC(=O)CSC2=NNC(S2)c3ccccn3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E18 compound treatment 0.378 0.0122 0.38 0.357 0.00826 0.24 0.4443 0.9764 3065813 Maybridge4_004636 Clc1ccc(N/C(=N\C#N)/Oc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E19 compound treatment 0.382 0.0162 0.51 0.36 0.0113 0.33 0.5961 0.9789 1232015 Maybridge4_004637 Sc1nc2CCCCc2c(c3cccs3)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E20 compound treatment 0.347 -0.0188 -0.59 0.327 -0.0217 -0.64 -0.8735 -0.9991 3065814 Maybridge4_004638 CC(Sc1ccc(C)cc1)C(=O)c2ccc(C)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E21 compound treatment 0.36 -0.0058 -0.18 0.343 -0.00574 -0.17 -0.2492 -0.9994 3065815 Maybridge4_004639 CCOC(=O)c1nc(C)nc(Sc2nnc([nH]2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E22 mock treatment 0.346 -0.0198 -0.62 0.33 -0.0187 -0.56 -0.8329 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E23 mock treatment 0.362 -0.0038 -0.12 0.345 -0.00374 -0.11 -0.1629 -0.9993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 E24 mock treatment 0.367 0.0012 0.04 0.368 0.0193 0.57 0.4302 0.7524 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F01 mock treatment 0.366 2.04E-4 0.01 0.342 -0.00674 -0.2 -0.1368 -0.6841 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F02 mock treatment 0.369 0.0032 0.1 0.364 0.0153 0.45 0.3909 0.844 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F03 mock treatment 0.356 -0.0098 -0.31 0.337 -0.0117 -0.35 -0.4639 -0.9981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F04 mock treatment 0.359 -0.0068 -0.21 0.326 -0.0227 -0.67 -0.6277 -0.8878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F05 mock treatment 0.351 -0.0148 -0.47 0.347 -0.00174 -0.05 -0.3655 -0.7809 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F06 mock treatment 0.358 -0.0078 -0.25 0.349 2.56E-4 0.01 -0.168 -0.6849 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F07 mock treatment 0.35 -0.0158 -0.5 0.349 2.56E-4 0.01 -0.3459 -0.6962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F08 mock treatment 0.363 -0.0028 -0.09 0.356 0.00726 0.22 0.0899 0.3868 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F09 mock treatment 0.353 -0.0128 -0.4 0.323 -0.0257 -0.76 -0.8239 -0.9553 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F10 mock treatment 0.361 -0.0048 -0.15 0.347 -0.00174 -0.05 -0.1432 -0.8982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F11 mock treatment 0.365 -7.96E-4 -0.03 0.346 -0.00274 -0.08 -0.0752 -0.8839 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F12 mock treatment 0.358 -0.0078 -0.25 0.338 -0.0107 -0.32 -0.3985 -0.9917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F13 mock treatment 0.365 -7.96E-4 -0.03 0.34 -0.00874 -0.26 -0.2009 -0.7718 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F14 mock treatment 0.371 0.0052 0.16 0.345 -0.00374 -0.11 0.0372 0.1884 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F15 mock treatment 0.37 0.0042 0.13 0.338 -0.0107 -0.32 -0.1317 -0.3819 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F16 mock treatment 0.369 0.0032 0.1 0.347 -0.00174 -0.05 0.0347 0.3064 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F17 mock treatment 0.365 -7.96E-4 -0.03 0.339 -0.00974 -0.29 -0.2219 -0.7656 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F18 mock treatment 0.37 0.0042 0.13 0.343 -0.00574 -0.17 -0.0269 -0.1248 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F19 mock treatment 0.357 -0.0088 -0.28 0.345 -0.00374 -0.11 -0.274 -0.9195 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F20 mock treatment 0.351 -0.0148 -0.47 0.338 -0.0107 -0.32 -0.5541 -0.9829 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F21 mock treatment 0.345 -0.0208 -0.65 0.341 -0.00774 -0.23 -0.6246 -0.9014 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F22 mock treatment 0.354 -0.0118 -0.37 0.349 2.56E-4 0.01 -0.2569 -0.6925 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F23 mock treatment 0.358 -0.0078 -0.25 0.343 -0.00574 -0.17 -0.2937 -0.9841 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 F24 mock treatment 0.405 0.0392 1.23 0.363 0.0143 0.42 1.1703 0.8981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G01 compound treatment 0.377 0.0112 0.35 0.369 0.0203 0.6 0.6735 0.9678 3065816 Maybridge4_004640 Cc1nc(N)nc(CSc2ccccc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G02 compound treatment 0.429 0.0632 1.99 0.4 0.0513 1.52 2.4792 0.9912 3065817 Maybridge4_004641 Oc1ccc2c(CSc3nnc([nH]3)c4cccs4)cc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G03 compound treatment 0.347 -0.0188 -0.59 0.326 -0.0227 -0.67 -0.8945 -0.9979 1387671 Maybridge4_004642 CN(CCOC(=O)Nc1cccc(Cl)c1)c2ccc(C#N)cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G04 compound treatment 0.385 0.0192 0.6 0.373 0.0243 0.72 0.9352 0.9962 1420583 Maybridge4_004643 Clc1ccc(CSc2n[nH]c(=O)n2C3CC4CC3C=C4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G05 compound treatment 0.357 -0.0088 -0.28 0.348 -7.44E-4 -0.02 -0.2112 -0.7611 3178988 Maybridge4_004644 COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G06 compound treatment 0.376 0.0102 0.32 0.374 0.0253 0.75 0.756 0.9285 3065818 Maybridge4_004645 Cc1cc(nn1Cc2ccc(C)cc2)C(=O)Sc3cccc(Cl)c3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G07 compound treatment 0.361 -0.0048 -0.15 0.355 0.00626 0.19 0.0244 0.1023 3178989 Maybridge4_004646 FC(F)(F)c1cccn(CC(=O)c2ccc(Cl)cc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G08 compound treatment 0.381 0.0152 0.48 0.367 0.0183 0.54 0.7205 0.9981 1219573 Maybridge4_004647 CC(C)(C)c1cc(NC(=O)CSc2n[nH]c(=O)n2c3ccc4OCCOc4c3)cc(c1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G09 compound treatment 0.37 0.0042 0.13 0.354 0.00526 0.16 0.2036 0.9967 3065819 Maybridge4_004648 CCOC(=O)c1cnc(nc1Sc2nnc([nH]2)c3cccs3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G10 compound treatment 0.368 0.0022 0.07 0.343 -0.00574 -0.17 -0.0714 -0.3883 1396971 Maybridge4_004649 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c2nnc(S)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G11 compound treatment 0.379 0.0132 0.42 0.364 0.0153 0.45 0.6132 0.9991 3065820 Maybridge4_004650 CCOC(=O)c1cc(C#N)c(Sc2ccccc2NC(=O)c3ccccc3)nc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G12 compound treatment 0.374 0.0082 0.26 0.353 0.00426 0.13 0.2716 0.9458 1227698 Maybridge4_004651 Cc1cccc(Cn2nc(cc2C(=O)Nc3cccnc3)C(C)(C)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G13 compound treatment 0.413 0.0472 1.48 0.381 0.0323 0.96 1.7254 0.9773 3065822 Maybridge4_004652 FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)C(=O)Sc3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G14 compound treatment 0.371 0.0052 0.16 0.346 -0.00274 -0.08 0.0582 0.3185 3178991 Maybridge4_004653 CCOC(=O)C1CCN(CC1)c2nc(c(cc2C#N)C(=O)OCC)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G15 compound treatment 0.366 2.04E-4 0.01 0.332 -0.0167 -0.5 -0.3463 -0.6979 1653461 Maybridge4_004654 CC(=O)N1CCN(CC1)c2nc3ccc(Cl)cc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G16 compound treatment 0.365 -7.96E-4 -0.03 0.348 -7.44E-4 -0.02 -0.0333 -0.998 3178992 Maybridge4_004655 CC(C)N(CCC#N)C(=S)Nc1c(C)cccc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G17 compound treatment 0.372 0.0062 0.2 0.35 0.00126 0.04 0.1642 0.8271 3065823 Maybridge4_004656 COC(=N)NC(=S)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G18 compound treatment 0.387 0.0212 0.67 0.362 0.0133 0.39 0.7492 0.9682 1122990 Maybridge4_004657 CC(C)NC(=O)Nc1nc(Nc2ccc(Cl)cc2)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G19 compound treatment 0.366 2.04E-4 0.01 0.358 0.00926 0.27 0.1985 0.7234 3178993 Maybridge4_004658 N1N=C(NC1c2cccnc2)c3cnccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G20 compound treatment 0.371 0.0052 0.16 0.347 -0.00174 -0.05 0.0792 0.4613 1235857 Maybridge4_004659 Cc1c(C#N)c(=N)n(nc1C(=O)Nc2ccccc2)c3ccc(cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G21 compound treatment 0.361 -0.0048 -0.15 0.351 0.00226 0.07 -0.0594 -0.3599 3178994 Maybridge4_004660 CCOC(=O)c1sc2nc(c(cc2c1NC(=O)C)C(=O)OCC)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G22 mock treatment 0.358 -0.0078 -0.25 0.33 -0.0187 -0.56 -0.5661 -0.9324 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G23 mock treatment 0.37 0.0042 0.13 0.355 0.00626 0.19 0.2245 0.9863 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 G24 mock treatment 0.381 0.0152 0.48 0.359 0.0103 0.3 0.5529 0.9761 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H01 mock treatment 0.377 0.0112 0.35 0.367 0.0183 0.54 0.6316 0.9784 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H02 mock treatment 0.365 -7.96E-4 -0.03 0.349 2.56E-4 0.01 -0.0123 -0.4719 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H03 mock treatment 0.365 -7.96E-4 -0.03 0.34 -0.00874 -0.26 -0.2009 -0.7718 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H04 mock treatment 0.358 -0.0078 -0.25 0.346 -0.00274 -0.08 -0.2308 -0.8938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H05 mock treatment 0.362 -0.0038 -0.12 0.351 0.00226 0.07 -0.0371 -0.2715 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H06 mock treatment 0.357 -0.0088 -0.28 0.343 -0.00574 -0.17 -0.3159 -0.9728 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H07 mock treatment 0.362 -0.0038 -0.12 0.345 -0.00374 -0.11 -0.1629 -0.9993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H08 mock treatment 0.381 0.0152 0.48 0.346 -0.00274 -0.08 0.2805 0.5785 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H09 mock treatment 0.359 -0.0068 -0.21 0.333 -0.0157 -0.47 -0.481 -0.9373 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H10 mock treatment 0.37 0.0042 0.13 0.344 -0.00474 -0.14 -0.0059 -0.0308 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H11 mock treatment 0.351 -0.0148 -0.47 0.334 -0.0147 -0.44 -0.6379 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H12 mock treatment 0.368 0.0022 0.07 0.348 -7.44E-4 -0.02 0.0334 0.4594 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H13 mock treatment 0.359 -0.0068 -0.21 0.352 0.00326 0.1 -0.0829 -0.3535 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H14 mock treatment 0.38 0.0142 0.45 0.343 -0.00574 -0.17 0.1954 0.4089 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H15 mock treatment 0.357 -0.0088 -0.28 0.338 -0.0107 -0.32 -0.4207 -0.9975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H16 mock treatment 0.359 -0.0068 -0.21 0.349 2.56E-4 0.01 -0.1457 -0.6816 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H17 mock treatment 0.365 -7.96E-4 -0.03 0.339 -0.00974 -0.29 -0.2219 -0.7656 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H18 mock treatment 0.358 -0.0078 -0.25 0.347 -0.00174 -0.05 -0.2099 -0.8378 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H19 mock treatment 0.349 -0.0168 -0.53 0.34 -0.00874 -0.26 -0.5567 -0.9463 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H20 mock treatment 0.359 -0.0068 -0.21 0.334 -0.0147 -0.44 -0.46 -0.9459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H21 mock treatment 0.349 -0.0168 -0.53 0.332 -0.0167 -0.5 -0.7243 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H22 mock treatment 0.362 -0.0038 -0.12 0.335 -0.0137 -0.41 -0.3724 -0.8774 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H23 mock treatment 0.382 0.0162 0.51 0.341 -0.00774 -0.23 0.198 0.3544 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 H24 mock treatment 0.417 0.0512 1.61 0.386 0.0373 1.1 1.9191 0.9831 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I01 compound treatment 0.389 0.0232 0.73 0.374 0.0253 0.75 1.0451 0.9999 3178995 Maybridge4_004661 FC(F)(F)COc1ccc(cn1)C(=O)NC(=O)NN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I02 compound treatment 0.429 0.0632 1.99 0.416 0.0673 1.99 2.8145 1.0 3065824 Maybridge4_004662 Oc1nnc(SCc2cc(=O)oc3cc(O)ccc23)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I03 compound treatment 0.41 0.0442 1.39 0.394 0.0453 1.34 1.9311 0.9998 3178996 Maybridge4_004663 Cc1noc(COc2ccccc2)c1C(=O)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I04 compound treatment 0.363 -0.0028 -0.09 0.339 -0.00974 -0.29 -0.2663 -0.8824 3065825 Maybridge4_004664 Cc1c(C#N)c(Sc2ccccc2Cl)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I05 compound treatment 0.363 -0.0028 -0.09 0.338 -0.0107 -0.32 -0.2873 -0.8698 3178997 Maybridge4_004665 COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc3ccc(Cl)cc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I06 compound treatment 0.356 -0.0098 -0.31 0.344 -0.00474 -0.14 -0.3172 -0.9369 1622413 Maybridge4_004666 COc1ccc(SC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I07 compound treatment 0.379 0.0132 0.42 0.348 -7.44E-4 -0.02 0.278 0.6686 3178998 Maybridge4_004667 FC(F)(F)c1ccc(=O)n(CC(=O)c2ccc(C#N)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I08 compound treatment 0.356 -0.0098 -0.31 0.346 -0.00274 -0.08 -0.2753 -0.8642 3065827 Maybridge4_004668 CSc1n[nH]c(=O)n1c2ccc3OCCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I09 compound treatment 0.409 0.0432 1.36 0.398 0.0493 1.46 1.9926 0.9994 3065847 Maybridge4_004669 CCOC(=O)c1cc(C#N)c(Sc2n[nH]c(=O)n2Cc3ccc(cc3)C(F)(F)F)nc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I10 compound treatment 0.376 0.0102 0.32 0.356 0.00726 0.22 0.3789 0.981 3065848 Maybridge4_004670 CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C(=O)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I11 compound treatment 0.366 2.04E-4 0.01 0.345 -0.00374 -0.11 -0.0739 -0.6652 3065849 Maybridge4_004671 FC(F)(F)c1ccc(nc1)C(=N)NC(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I12 compound treatment 0.368 0.0022 0.07 0.351 0.00226 0.07 0.0963 0.9998 1418931 Maybridge4_004672 Cc1cc(C)c(Cn2nc(cc2C(=O)NN3CCOCC3)C(C)(C)C)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I13 compound treatment 0.405 0.0392 1.23 0.358 0.00926 0.27 1.0656 0.8438 3065850 Maybridge4_004673 FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)C(=O)NC(=N)c3ccc(Cl)cc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I14 compound treatment 0.371 0.0052 0.16 0.338 -0.0107 -0.32 -0.1094 -0.3057 1208016 Maybridge4_004674 COC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I15 compound treatment 0.362 -0.0038 -0.12 0.333 -0.0157 -0.47 -0.4143 -0.8603 1224162 Maybridge4_004675 CC(C)(C)C(=O)N1CCN(CC1)c2nc3ccc(Cl)cc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I16 compound treatment 0.351 -0.0148 -0.47 0.321 -0.0277 -0.82 -0.9103 -0.9637 3065852 Maybridge4_004676 CCN(C(=S)Nc1ccc(C)cc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I17 compound treatment 0.399 0.0332 1.04 0.382 0.0333 0.99 1.435 0.9996 3178999 Maybridge4_004677 Clc1ccc(cc1)c2nnc(Sc3nc(ns3)c4cccs4)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I18 compound treatment 0.395 0.0292 0.92 0.359 0.0103 0.3 0.8642 0.8935 3065853 Maybridge4_004678 CCCNC(=O)Nc1nc(Nc2ccc(Cl)cc2)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I19 compound treatment 0.364 -0.0018 -0.06 0.346 -0.00274 -0.08 -0.0974 -0.9841 3179000 Maybridge4_004679 FC(F)(F)c1ccncc1C(=O)NC(=N)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I20 compound treatment 0.357 -0.0088 -0.28 0.337 -0.0117 -0.35 -0.4416 -0.9935 3179001 Maybridge4_004680 CC(Sc1ccc(C)cc1)C(=O)Nc2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I21 compound treatment 0.428 0.0622 1.96 0.418 0.0693 2.05 2.8341 0.9997 3065854 Maybridge4_004681 Sc1nnc(s1)c2cnccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I22 mock treatment 0.366 2.04E-4 0.01 0.336 -0.0127 -0.38 -0.2625 -0.695 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I23 mock treatment 0.348 -0.0178 -0.56 0.341 -0.00774 -0.23 -0.5579 -0.9225 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 I24 mock treatment 0.384 0.0182 0.57 0.359 0.0103 0.3 0.6196 0.9561 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J01 mock treatment 0.37 0.0042 0.13 0.359 0.0103 0.3 0.3084 0.9305 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J02 mock treatment 0.356 -0.0098 -0.31 0.334 -0.0147 -0.44 -0.5267 -0.9854 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J03 mock treatment 0.342 -0.0238 -0.75 0.345 -0.00374 -0.11 -0.6075 -0.8032 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J04 mock treatment 0.361 -0.0048 -0.15 0.333 -0.0157 -0.47 -0.4365 -0.8903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J05 mock treatment 0.365 -7.96E-4 -0.03 0.344 -0.00474 -0.14 -0.1171 -0.8201 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J06 mock treatment 0.353 -0.0128 -0.4 0.342 -0.00674 -0.2 -0.4258 -0.9478 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J07 mock treatment 0.357 -0.0088 -0.28 0.342 -0.00674 -0.2 -0.3369 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J08 mock treatment 0.355 -0.0108 -0.34 0.342 -0.00674 -0.2 -0.3814 -0.9681 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J09 mock treatment 0.359 -0.0068 -0.21 0.344 -0.00474 -0.14 -0.2505 -0.9794 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J10 mock treatment 0.358 -0.0078 -0.25 0.33 -0.0187 -0.56 -0.5661 -0.9324 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J11 mock treatment 0.363 -0.0028 -0.09 0.338 -0.0107 -0.32 -0.2873 -0.8698 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J12 mock treatment 0.365 -7.96E-4 -0.03 0.353 0.00426 0.13 0.0715 0.5559 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J13 mock treatment 0.359 -0.0068 -0.21 0.324 -0.0247 -0.73 -0.6696 -0.8767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J14 mock treatment 0.371 0.0052 0.16 0.335 -0.0137 -0.41 -0.1723 -0.3925 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J15 mock treatment 0.342 -0.0238 -0.75 0.333 -0.0157 -0.47 -0.859 -0.9741 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J16 mock treatment 0.371 0.0052 0.16 0.345 -0.00374 -0.11 0.0372 0.1884 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J17 mock treatment 0.362 -0.0038 -0.12 0.341 -0.00774 -0.23 -0.2467 -0.9536 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J18 mock treatment 0.377 0.0112 0.35 0.344 -0.00474 -0.14 0.1497 0.3947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J19 mock treatment 0.371 0.0052 0.16 0.339 -0.00974 -0.29 -0.0885 -0.2666 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J20 mock treatment 0.371 0.0052 0.16 0.354 0.00526 0.16 0.2258 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J21 mock treatment 0.352 -0.0138 -0.43 0.339 -0.00974 -0.29 -0.5109 -0.9804 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J22 mock treatment 0.358 -0.0078 -0.25 0.348 -7.44E-4 -0.02 -0.1889 -0.7676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J23 mock treatment 0.36 -0.0058 -0.18 0.347 -0.00174 -0.05 -0.1654 -0.8732 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 J24 mock treatment 0.396 0.0302 0.95 0.374 0.0253 0.75 1.2007 0.993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K01 compound treatment 0.395 0.0292 0.92 0.421 0.0723 2.14 2.1633 0.9286 3065855 Maybridge4_004682 Oc1c/c(=N\c2ccc(Cl)cc2)/nc(COc3ccccc3)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K02 compound treatment 0.381 0.0152 0.48 0.368 0.0193 0.57 0.7415 0.9961 3179002 Maybridge4_004683 Cc1cc(nn1C(C)(C)C)C(=O)Sc2cccc(c2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K03 compound treatment 0.397 0.0312 0.98 0.383 0.0343 1.02 1.4115 0.9999 3179003 Maybridge4_004684 Cc1noc(COc2ccccc2)c1C(=O)Sc3ccc(F)cc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K04 compound treatment 0.373 0.0072 0.23 0.345 -0.00374 -0.11 0.0817 0.324 3065857 Maybridge4_004685 Cc1c(C#N)c(Sc2cccc(c2)C(F)(F)F)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K05 compound treatment 0.371 0.0052 0.16 0.351 0.00226 0.07 0.163 0.922 3179004 Maybridge4_004686 CSc1nc(CSc2ccc(Cl)cc2)nc(C3CC3)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K06 compound treatment 0.364 -0.0018 -0.06 0.359 0.0103 0.3 0.1749 0.566 3065858 Maybridge4_004687 Cc1cc(nn1Cc2c(Cl)cccc2Cl)C(=O)SCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K07 compound treatment 0.364 -0.0018 -0.06 0.348 -7.44E-4 -0.02 -0.0555 -0.9158 3179005 Maybridge4_004688 CCOC(=O)c1cc(C#N)c(Oc2ccc(C)cc2)nc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K08 compound treatment 0.393 0.0272 0.86 0.36 0.0113 0.33 0.8407 0.9157 3065859 Maybridge4_004689 CC(C)OC(=O)Nc1cc(Cl)cc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K09 compound treatment 0.404 0.0382 1.2 0.384 0.0353 1.04 1.5881 0.9976 3179006 Maybridge4_004690 FC(F)(F)C1CCN(CC1)c2ncccc2NC(=S)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K10 compound treatment 0.365 -7.96E-4 -0.03 0.343 -0.00574 -0.17 -0.1381 -0.8025 1235731 Maybridge4_004691 S=C(NC1CCCC1)N2CCCN(CC2)c3ccc(C#N)cn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K11 compound treatment 0.371 0.0052 0.16 0.35 0.00126 0.04 0.142 0.8463 3179007 Maybridge4_004692 FC(F)(F)c1ccc(nc1)C(=N)NC(=O)c2cccc(c2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K12 compound treatment 0.362 -0.0038 -0.12 0.348 -7.44E-4 -0.02 -0.1 -0.8238 1285775 Maybridge4_004693 Cc1onc(c1c2csc(CCn3c(=O)oc4ccccc34)n2)c5c(Cl)cccc5Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K13 compound treatment 0.382 0.0162 0.51 0.351 0.00226 0.07 0.4075 0.7931 3065861 Maybridge4_004694 NNC(=O)c1cccc(n1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K14 compound treatment 0.391 0.0252 0.79 0.355 0.00626 0.19 0.6915 0.8496 3179092 Maybridge4_004695 CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K15 compound treatment 0.442 0.0762 2.4 0.396 0.0473 1.4 2.6844 0.9673 3065862 Maybridge4_004696 FC(F)(F)c1ccc(nc1)c2nnc(S)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K16 compound treatment 0.349 -0.0168 -0.53 0.342 -0.00674 -0.2 -0.5148 -0.9116 3065863 Maybridge4_004697 CC(C)N(CCC#N)C(=S)Nc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K17 compound treatment 0.365 -7.96E-4 -0.03 0.339 -0.00974 -0.29 -0.2219 -0.7656 3179093 Maybridge4_004698 CC(C)C(=N)NC(=S)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K18 compound treatment 0.369 0.0032 0.1 0.354 0.00526 0.16 0.1814 0.9778 1330597 Maybridge4_004699 CS(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K19 compound treatment 0.363 -0.0028 -0.09 0.346 -0.00274 -0.08 -0.1197 -0.9992 3179094 Maybridge4_004700 N=C(NC(=O)N1CCOCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K20 compound treatment 0.377 0.0112 0.35 0.351 0.00226 0.07 0.2964 0.8265 3065864 Maybridge4_004701 CN(C)/C=N/c1ncc(Br)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K21 compound treatment 0.366 2.04E-4 0.01 0.342 -0.00674 -0.2 -0.1368 -0.6841 3179095 Maybridge4_004702 CC(C)(C)C(=O)CSc1nnc(s1)c2cnccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K22 mock treatment 0.346 -0.0198 -0.62 0.328 -0.0207 -0.61 -0.8748 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K23 mock treatment 0.365 -7.96E-4 -0.03 0.351 0.00226 0.07 0.0296 0.4141 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 K24 mock treatment 0.387 0.0212 0.67 0.363 0.0143 0.42 0.7701 0.9758 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L01 mock treatment 0.383 0.0172 0.54 0.347 -0.00174 -0.05 0.346 0.6366 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L02 mock treatment 0.36 -0.0058 -0.18 0.347 -0.00174 -0.05 -0.1654 -0.8732 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L03 mock treatment 0.355 -0.0108 -0.34 0.332 -0.0167 -0.5 -0.5909 -0.9829 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L04 mock treatment 0.356 -0.0098 -0.31 0.347 -0.00174 -0.05 -0.2544 -0.8144 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L05 mock treatment 0.363 -0.0028 -0.09 0.34 -0.00874 -0.26 -0.2454 -0.8968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L06 mock treatment 0.368 0.0022 0.07 0.349 2.56E-4 0.01 0.0544 0.7798 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L07 mock treatment 0.349 -0.0168 -0.53 0.328 -0.0207 -0.61 -0.8081 -0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L08 mock treatment 0.362 -0.0038 -0.12 0.348 -7.44E-4 -0.02 -0.1 -0.8238 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L09 mock treatment 0.37 0.0042 0.13 0.339 -0.00974 -0.29 -0.1107 -0.3486 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L10 mock treatment 0.359 -0.0068 -0.21 0.333 -0.0157 -0.47 -0.481 -0.9373 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L11 mock treatment 0.358 -0.0078 -0.25 0.364 0.0153 0.45 0.1463 0.2845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L12 mock treatment 0.369 0.0032 0.1 0.342 -0.00674 -0.2 -0.0701 -0.3131 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L13 mock treatment 0.371 0.0052 0.16 0.346 -0.00274 -0.08 0.0582 0.3185 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L14 mock treatment 0.366 2.04E-4 0.01 0.337 -0.0117 -0.35 -0.2415 -0.694 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L15 mock treatment 0.369 0.0032 0.1 0.336 -0.0127 -0.38 -0.1958 -0.501 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L16 mock treatment 0.373 0.0072 0.23 0.34 -0.00874 -0.26 -0.023 -0.067 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L17 mock treatment 0.371 0.0052 0.16 0.342 -0.00674 -0.2 -0.0256 -0.0992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L18 mock treatment 0.351 -0.0148 -0.47 0.341 -0.00774 -0.23 -0.4912 -0.947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L19 mock treatment 0.359 -0.0068 -0.21 0.343 -0.00574 -0.17 -0.2715 -0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L20 mock treatment 0.355 -0.0108 -0.34 0.347 -0.00174 -0.05 -0.2766 -0.8055 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L21 mock treatment 0.337 -0.0288 -0.91 0.326 -0.0227 -0.67 -1.1168 -0.9894 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L22 mock treatment 0.355 -0.0108 -0.34 0.338 -0.0107 -0.32 -0.4652 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L23 mock treatment 0.36 -0.0058 -0.18 0.34 -0.00874 -0.26 -0.3121 -0.9852 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 L24 mock treatment 0.384 0.0182 0.57 0.363 0.0143 0.42 0.7034 0.9888 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M01 compound treatment 0.369 0.0032 0.1 0.346 -0.00274 -0.08 0.0137 0.1061 3065865 Maybridge4_004703 FC(F)(F)c1cccn(CCc2nc(cs2)c3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M02 compound treatment 0.422 0.0562 1.77 0.403 0.0543 1.61 2.3864 0.9989 3179096 Maybridge4_004704 Cc1cc(nn1C(C)(C)C)C(=O)Sc2cccc(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M03 compound treatment 0.375 0.0092 0.29 0.364 0.0153 0.45 0.5243 0.9768 3179097 Maybridge4_004705 CN(CCOC(=O)c1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M04 compound treatment 0.388 0.0222 0.7 0.372 0.0233 0.69 0.9809 1.0 3065866 Maybridge4_004706 Cc1c(C#N)c(Sc2n[nH]c(=O)n2C3CCCCC3)nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M05 compound treatment 0.388 0.0222 0.7 0.342 -0.00674 -0.2 0.3524 0.4852 3065894 Maybridge4_004707 CCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c3cccc(c3)C(F)(F)F)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M06 compound treatment 0.377 0.0112 0.35 0.36 0.0113 0.33 0.4849 0.9996 3065895 Maybridge4_004708 OC(C(O)c1nc2cc(C#N)ccc2[nH]1)c3nc4cc(C#N)ccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M07 compound treatment 0.373 0.0072 0.23 0.352 0.00326 0.1 0.2284 0.9276 3065896 Maybridge4_004709 CCOC(=O)c1cc(C#N)c(Sc2nnc([nH]2)C(C)(C)C)nc1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M08 compound treatment 0.364 -0.0018 -0.06 0.353 0.00426 0.13 0.0492 0.3563 3065897 Maybridge4_004710 NC(=S)Cc1ccc(Cl)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M09 compound treatment 0.406 0.0402 1.26 0.376 0.0273 0.81 1.465 0.9766 3065898 Maybridge4_004711 FC(F)(F)C1CCN(CC1)c2ncccc2NC(=S)Nc3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M10 compound treatment 0.37 0.0042 0.13 0.349 2.56E-4 0.01 0.0988 0.7464 1643927 Maybridge4_004712 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c2nnc(S)n2CC3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M11 compound treatment 0.382 0.0162 0.51 0.355 0.00626 0.19 0.4913 0.9063 3065900 Maybridge4_004713 FC(F)(F)c1ccc(=O)n(Cc2cccc(C#N)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M12 compound treatment 0.375 0.0092 0.29 0.357 0.00826 0.24 0.3776 0.9965 1263587 Maybridge4_004714 COc1ccccc1OCc2nc(cs2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M13 compound treatment 0.372 0.0062 0.2 0.351 0.00226 0.07 0.1852 0.8981 3179098 Maybridge4_004715 FC(F)(F)c1ccc(cc1)C(=N)NC(=O)CCn2c(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M14 compound treatment 0.374 0.0082 0.26 0.351 0.00226 0.07 0.2297 0.8619 1136340 Maybridge4_004716 CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M15 compound treatment 0.381 0.0152 0.48 0.375 0.0263 0.78 0.8882 0.9727 3179099 Maybridge4_004717 FC(F)(F)c1ccc(nc1)c2nnc(SCC=C)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M16 compound treatment 0.378 0.0122 0.38 0.37 0.0213 0.63 0.7167 0.9718 1122167 Maybridge4_004718 O=C(N1CCN(CCOc2ccccc2)CC1)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M17 compound treatment 0.389 0.0232 0.73 0.379 0.0303 0.9 1.1498 0.9948 3179100 Maybridge4_004719 FC(F)(F)COc1ccc(cn1)C(=O)NC(=N)c2ccc(cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M18 compound treatment 0.386 0.0202 0.64 0.369 0.0203 0.6 0.8736 0.9996 3065901 Maybridge4_004720 CNC(=O)Nc1nc2cccnc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M19 compound treatment 0.369 0.0032 0.1 0.369 0.0203 0.6 0.4956 0.8144 1030287 Maybridge4_004721 CSc1nc(O)cc(O)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M20 compound treatment 0.401 0.0352 1.11 0.387 0.0383 1.13 1.5843 0.9999 3179101 Maybridge4_004722 Cc1nc(N/C=N/O)c(Br)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M21 compound treatment 0.388 0.0222 0.7 0.37 0.0213 0.63 0.939 0.9987 3179102 Maybridge4_004723 Cc1nc(c(s1)C(=O)Sc2ccc(C)cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M22 mock treatment 0.356 -0.0098 -0.31 0.359 0.0103 0.3 -0.0029 -0.0068 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M23 mock treatment 0.372 0.0062 0.2 0.363 0.0143 0.42 0.4366 0.9384 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 M24 mock treatment 0.396 0.0302 0.95 0.379 0.0303 0.9 1.3055 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N01 mock treatment 0.383 0.0172 0.54 0.375 0.0263 0.78 0.9326 0.9842 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N02 mock treatment 0.352 -0.0138 -0.43 0.343 -0.00574 -0.17 -0.4271 -0.9165 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N03 mock treatment 0.348 -0.0178 -0.56 0.357 0.00826 0.24 -0.2227 -0.3647 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N04 mock treatment 0.355 -0.0108 -0.34 0.339 -0.00974 -0.29 -0.4442 -0.9968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N05 mock treatment 0.36 -0.0058 -0.18 0.343 -0.00574 -0.17 -0.2492 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N06 mock treatment 0.357 -0.0088 -0.28 0.342 -0.00674 -0.2 -0.3369 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N07 mock treatment 0.357 -0.0088 -0.28 0.354 0.00526 0.16 -0.0855 -0.2692 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N08 mock treatment 0.358 -0.0078 -0.25 0.335 -0.0137 -0.41 -0.4613 -0.9705 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N09 mock treatment 0.342 -0.0238 -0.75 0.34 -0.00874 -0.26 -0.7123 -0.8996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N10 mock treatment 0.361 -0.0048 -0.15 0.344 -0.00474 -0.14 -0.206 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N11 mock treatment 0.353 -0.0128 -0.4 0.344 -0.00474 -0.14 -0.3839 -0.9008 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N12 mock treatment 0.38 0.0142 0.45 0.358 0.00926 0.27 0.5097 0.9726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N13 mock treatment 0.357 -0.0088 -0.28 0.349 2.56E-4 0.01 -0.1902 -0.6875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N14 mock treatment 0.368 0.0022 0.07 0.344 -0.00474 -0.14 -0.0504 -0.3216 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N15 mock treatment 0.379 0.0132 0.42 0.337 -0.0117 -0.35 0.0475 0.0877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N16 mock treatment 0.363 -0.0028 -0.09 0.339 -0.00974 -0.29 -0.2663 -0.8824 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N17 mock treatment 0.353 -0.0128 -0.4 0.346 -0.00274 -0.08 -0.342 -0.8332 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N18 mock treatment 0.365 -7.96E-4 -0.03 0.364 0.0153 0.45 0.3019 0.6669 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N19 mock treatment 0.365 -7.96E-4 -0.03 0.333 -0.0157 -0.47 -0.3476 -0.744 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N20 mock treatment 0.368 0.0022 0.07 0.339 -0.00974 -0.29 -0.1552 -0.5226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N21 mock treatment 0.356 -0.0098 -0.31 0.341 -0.00774 -0.23 -0.3801 -0.9895 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N22 mock treatment 0.347 -0.0188 -0.59 0.353 0.00426 0.13 -0.3287 -0.544 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N23 mock treatment 0.366 2.04E-4 0.01 0.361 0.0123 0.36 0.2613 0.7195 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 N24 mock treatment 0.397 0.0312 0.98 0.382 0.0333 0.99 1.3906 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O01 compound treatment 0.414 0.0482 1.52 0.405 0.0563 1.67 2.2505 0.9989 3065902 Maybridge4_004724 Cc1nn(c(N)c1C(=S)N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O02 compound treatment 0.377 0.0112 0.35 0.358 0.00926 0.27 0.443 0.9923 1470895 Maybridge4_004725 CCOC(=O)c1cc(Sc2ccccc2NC(=O)c3ccccc3)cc(n1)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O03 compound treatment 0.368 0.0022 0.07 0.367 0.0183 0.54 0.4315 0.7912 3065903 Maybridge4_004726 Cc1cc(no1)c2nnc(SCC(=O)c3ccccc3Cl)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O04 compound treatment 0.384 0.0182 0.57 0.368 0.0193 0.57 0.8082 1.0 1417512 Maybridge4_004727 Cc1c(C#N)c(Sc2ccccc2NC(=O)c3ccccc3)nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O05 compound treatment 0.412 0.0462 1.45 0.403 0.0543 1.61 2.1641 0.9987 3065905 Maybridge4_004728 CC(C)(C)c1ccc(OCC(=N)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O06 compound treatment 0.402 0.0362 1.14 0.387 0.0383 1.13 1.6065 1.0 1176898 Maybridge4_004729 OC(C(O)c1nc2cc(Cl)ccc2[nH]1)c3nc4cc(Cl)ccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O07 compound treatment 0.381 0.0152 0.48 0.369 0.0203 0.6 0.7625 0.9936 3065906 Maybridge4_004730 Cc1nc(nc(Sc2nnc([nH]2)c3cccs3)c1C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O08 compound treatment 0.387 0.0212 0.67 0.377 0.0283 0.84 1.0635 0.9936 3179103 Maybridge4_004731 CC(=O)N/C(=C\c1ccc2ccccc2c1)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O09 compound treatment 0.391 0.0252 0.79 0.375 0.0263 0.78 1.1105 1.0 3179104 Maybridge4_004732 NC(=O)C1=CN(Cc2ccccc2)CCC1C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O10 compound treatment 0.382 0.0162 0.51 0.372 0.0233 0.69 0.8475 0.989 3065908 Maybridge4_004733 CC(C)(C)c1cc(c2nnc(o2)c3cccs3)n(Cc4ccc(F)cc4)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O11 compound treatment 0.398 0.0322 1.01 0.378 0.0293 0.87 1.329 0.997 3179105 Maybridge4_004734 FC(F)(F)COc1cc(cc(OCC(F)(F)F)n1)c2nnc(S)n2Cc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O12 compound treatment 0.411 0.0452 1.42 0.403 0.0543 1.61 2.1419 0.9981 3065960 Maybridge4_004735 Clc1ccc(Sc2c[nH]nc2c3ccc4OCCOc4c3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O13 compound treatment 0.38 0.0142 0.45 0.355 0.00626 0.19 0.4469 0.9242 1741446 Maybridge4_004736 CC(C)(C)NC(=O)N1CCN(CC1)c2ccc(C#N)cn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O14 compound treatment 0.409 0.0432 1.36 0.374 0.0253 0.75 1.4898 0.9605 1571449 Maybridge4_004737 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O15 compound treatment 0.412 0.0462 1.45 0.391 0.0423 1.25 1.9127 0.9973 3065932 Maybridge4_004738 N/C(=N\O)/c1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O16 compound treatment 0.414 0.0482 1.52 0.389 0.0403 1.19 1.9152 0.993 1468379 Maybridge4_004739 CC(C)c1ccc(NC(=O)N2CCCN(CCOc3ccccc3)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O17 compound treatment 0.422 0.0562 1.77 0.395 0.0463 1.37 2.2188 0.9921 3065933 Maybridge4_004740 COc1ccc(OCC(=N)NC(=S)Nc2cccc(c2)C(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O18 compound treatment 0.395 0.0292 0.92 0.372 0.0233 0.69 1.1366 0.99 3065934 Maybridge4_004741 NC(=C(C#N)C#N)Nc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O19 compound treatment 0.387 0.0212 0.67 0.373 0.0243 0.72 0.9797 0.9993 3065935 Maybridge4_004742 Oc1nnc(SCC(=O)N2CCC(CC2)C(F)(F)F)n1c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O20 compound treatment 0.39 0.0242 0.76 0.384 0.0353 1.04 1.2768 0.9879 3065936 Maybridge4_004743 Cc1cc(Br)cnc1N/C=N/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O21 compound treatment 0.396 0.0302 0.95 0.407 0.0583 1.73 1.8922 0.9604 3179106 Maybridge4_004744 Cc1nc(c(s1)C(=O)Sc2cccc(c2)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O22 mock treatment 0.381 0.0152 0.48 0.369 0.0203 0.6 0.7625 0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O23 mock treatment 0.403 0.0372 1.17 0.387 0.0383 1.13 1.6287 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 O24 mock treatment 0.39 0.0242 0.76 0.39 0.0413 1.22 1.4026 0.974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P01 mock treatment 0.405 0.0392 1.23 0.392 0.0433 1.28 1.778 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P02 mock treatment 0.384 0.0182 0.57 0.368 0.0193 0.57 0.8082 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P03 mock treatment 0.394 0.0282 0.89 0.361 0.0123 0.36 0.8839 0.9223 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P04 mock treatment 0.382 0.0162 0.51 0.367 0.0183 0.54 0.7428 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P05 mock treatment 0.386 0.0202 0.64 0.384 0.0353 1.04 1.1879 0.9716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P06 mock treatment 0.396 0.0302 0.95 0.375 0.0263 0.78 1.2217 0.9951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P07 mock treatment 0.385 0.0192 0.6 0.364 0.0153 0.45 0.7466 0.9898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P08 mock treatment 0.404 0.0382 1.2 0.379 0.0303 0.9 1.4834 0.9896 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P09 mock treatment 0.397 0.0312 0.98 0.369 0.0203 0.6 1.1182 0.9722 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P10 mock treatment 0.413 0.0472 1.48 0.387 0.0383 1.13 1.8511 0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P11 mock treatment 0.374 0.0082 0.26 0.364 0.0153 0.45 0.5021 0.9646 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P12 mock treatment 0.398 0.0322 1.01 0.365 0.0163 0.48 1.0566 0.9423 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P13 mock treatment 0.383 0.0172 0.54 0.377 0.0283 0.84 0.9745 0.9777 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P14 mock treatment 0.395 0.0292 0.92 0.376 0.0273 0.81 1.2204 0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P15 mock treatment 0.372 0.0062 0.2 0.373 0.0243 0.72 0.6462 0.8676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P16 mock treatment 0.403 0.0372 1.17 0.385 0.0363 1.07 1.5868 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P17 mock treatment 0.39 0.0242 0.76 0.384 0.0353 1.04 1.2768 0.9879 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P18 mock treatment 0.409 0.0432 1.36 0.378 0.0293 0.87 1.5736 0.9765 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P19 mock treatment 0.386 0.0202 0.64 0.374 0.0253 0.75 0.9784 0.9967 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P20 mock treatment 0.403 0.0372 1.17 0.388 0.0393 1.16 1.6497 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P21 mock treatment 0.388 0.0222 0.7 0.384 0.0353 1.04 1.2324 0.9808 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P22 mock treatment 0.396 0.0302 0.95 0.389 0.0403 1.19 1.515 0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P23 mock treatment 0.392 0.0262 0.82 0.38 0.0313 0.93 1.2375 0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2062 P24 mock treatment 0.408 0.0422 1.33 0.432 0.0833 2.47 2.6828 0.9577 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A01 compound treatment 0.406 0.0447 1.41 0.408 0.0547 1.62 2.1408 0.9975 1360118 TimTec1_000001 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccncc4)C(=O)OC5CCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A02 compound treatment 0.376 0.0147 0.46 0.375 0.0217 0.64 0.7824 0.9872 1352805 TimTec1_000002 CCOC(=O)c1cc2ccccc2oc1=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A03 compound treatment 0.386 0.0248 0.78 0.391 0.0377 1.12 1.3399 0.9844 1269647 TimTec1_000003 CN1C2CCC1CC(C2)NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A04 compound treatment 0.381 0.0198 0.62 0.388 0.0347 1.03 1.1659 0.9709 1717432 TimTec1_000004 NC1=C(C#N)C2=C(CCCC2)C(c3ccccc3)C1(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A05 compound treatment 0.366 0.00475 0.15 0.354 6.88E-4 0.02 0.12 0.7962 1640292 TimTec1_000005 CC1C2CC(C(C2=O)S(=O)(=O)N3CCOCC3)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A06 compound treatment 0.354 -0.00725 -0.23 0.341 -0.0123 -0.36 -0.4192 -0.9744 1432692 TimTec1_000006 CC(=C)C[N+](C)(C)Cc1c(C)ccc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A07 compound treatment 0.377 0.0158 0.5 0.381 0.0277 0.82 0.9303 0.9708 3209477 TimTec1_000007 O=C1N(CSc2nc3ccccc3s2)C(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A08 compound treatment 0.382 0.0208 0.65 0.369 0.0157 0.46 0.79 0.9862 1665724 TimTec1_000008 CC1(C)CC(=C(C(C2C(=O)CC(C)(C)CC2=O)c3ccccc3)C(=O)C1)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A09 compound treatment 0.372 0.0107 0.34 0.357 0.00369 0.11 0.3163 0.8903 1568897 TimTec1_000009 CCOC(=O)c1ccc(NC(=O)NC2OC(CO)C(O)C(O)C2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A10 compound treatment 0.345 -0.0163 -0.51 0.352 -0.00131 -0.04 -0.3888 -0.7587 3082080 TimTec1_000010 Cc1cc[n+](Cc2ccccn2)c(N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A11 compound treatment 0.371 0.00975 0.31 0.379 0.0257 0.76 0.755 0.9201 1782663 TimTec1_000011 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A12 compound treatment 0.364 0.00275 0.09 0.354 6.88E-4 0.02 0.0755 0.8504 3082082 TimTec1_000012 CCCC1CCCCCC1NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A13 compound treatment 0.37 0.00875 0.28 0.372 0.0187 0.55 0.5861 0.9479 3508726 TimTec1_000013 CCC(=O)NC1CC(CC=C1C)C(C)(C)NC(=O)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A14 compound treatment 0.341 -0.0203 -0.64 0.37 0.0167 0.49 -0.1006 -0.1248 3209587 TimTec1_000014 OC(=O)CCC(=O)N=S(c1ccccc1)c2ccccc2.Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A15 compound treatment 0.382 0.0208 0.65 0.372 0.0187 0.55 0.8529 0.9967 1459520 TimTec1_000015 COc1ccccc1c2nnc(N)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A16 compound treatment 0.396 0.0348 1.09 0.38 0.0267 0.79 1.3318 0.9874 3082084 TimTec1_000016 Cc1[nH]c2ccccc2c1Sc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A17 compound treatment 0.368 0.00675 0.21 0.352 -0.00131 -0.04 0.1226 0.5681 1172294 TimTec1_000017 Cc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A18 compound treatment 0.382 0.0208 0.65 0.375 0.0217 0.64 0.9158 1.0 1183562 TimTec1_000018 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4ccc(O)cc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A19 compound treatment 0.363 0.00175 0.06 0.357 0.00369 0.11 0.1162 0.9496 1230606 TimTec1_000019 CCN1CCN(CC1)c2ccc(NC(=O)c3cccc(Br)c3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A20 compound treatment 0.357 -0.00425 -0.13 0.343 -0.0103 -0.31 -0.3106 -0.9312 1045901 TimTec1_000020 COC(=O)c1cc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A21 compound treatment 0.397 0.0357 1.12 0.383 0.0297 0.88 1.4169 0.9926 3209588 TimTec1_000021 CSc1ccc(/C=N/n2nnnc2Nc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A22 compound treatment 0.361 -2.5E-4 -0.01 0.357 0.00369 0.11 0.0717 0.6545 3082088 TimTec1_000022 OC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A23 mock treatment 0.351 -0.0103 -0.32 0.373 0.0197 0.58 0.1846 0.277 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 A24 mock treatment 0.36 -0.00125 -0.04 0.348 -0.00531 -0.16 -0.1391 -0.8573 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B01 compound treatment 0.404 0.0428 1.34 0.396 0.0427 1.26 1.8449 0.9995 1462495 TimTec1_000023 CSc1c(CC(=O)Nc2ccccc2)n(C)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B02 compound treatment 0.39 0.0288 0.9 0.405 0.0517 1.53 1.7222 0.9684 3209589 TimTec1_000024 Nc1c(sc2nc(N)c(C#N)cc12)C(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B03 compound treatment 0.352 -0.00925 -0.29 0.353 -3.12E-4 -0.01 -0.2122 -0.7292 1291339 TimTec1_000025 CCOC(=O)c1c(CN2CCOCC2)n(C)c3ccc(O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B04 compound treatment 0.353 -0.00825 -0.26 0.371 0.0177 0.52 0.1872 0.3201 1292419 TimTec1_000026 O=C(Oc1ccc(OC(=O)c2ccco2)cc1)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B05 compound treatment 0.341 -0.0203 -0.64 0.34 -0.0133 -0.39 -0.7292 -0.9735 1346277 TimTec1_000027 O=C(N1CCCCC1)c2ccc(cc2)C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B06 compound treatment 0.351 -0.0103 -0.32 0.347 -0.00631 -0.19 -0.3602 -0.9665 1037513 TimTec1_000028 O=C1N(C(=O)c2ccccc12)c3nccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B07 compound treatment 0.347 -0.0143 -0.45 0.339 -0.0143 -0.42 -0.6167 -0.9996 3209590 TimTec1_000029 Cc1ccc(s1)C(=O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B08 compound treatment 0.366 0.00475 0.15 0.371 0.0177 0.52 0.4762 0.8738 1598558 TimTec1_000030 O=C(Nc1ccccc1)C(=S)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B09 compound treatment 0.357 -0.00425 -0.13 0.36 0.00669 0.2 0.0456 0.1909 1166367 TimTec1_000031 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B10 compound treatment 0.367 0.00575 0.18 0.366 0.0127 0.38 0.3937 0.9437 3081103 TimTec1_000032 C/C(=N\C1CC1)/c2c(C)[nH]n(c3nc4ccccc4s3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B11 compound treatment 0.351 -0.0103 -0.32 0.353 -3.12E-4 -0.01 -0.2344 -0.7271 1692568 TimTec1_000033 Fc1ccc(cc1)C(=O)CCCN2CCNCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B12 compound treatment 0.364 0.00275 0.09 0.354 6.88E-4 0.02 0.0755 0.8504 3209591 TimTec1_000034 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/N(C)C1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B13 compound treatment 0.406 0.0447 1.41 0.401 0.0477 1.41 1.9941 1.0 1611433 TimTec1_000035 CC(=O)Oc1ccc2occ(C(=O)c3ccc(Br)s3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B14 compound treatment 0.362 7.5E-4 0.02 0.344 -0.00931 -0.28 -0.1784 -0.6443 1351179 TimTec1_000036 O=C(c1nnn(c1Nc2ccccc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B15 compound treatment 0.341 -0.0203 -0.64 0.345 -0.00831 -0.25 -0.6244 -0.9146 1357665 TimTec1_000037 OC(=O)c1cccc(CN2CCN(CC2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B16 compound treatment 0.372 0.0107 0.34 0.372 0.0187 0.55 0.6306 0.972 1209399 TimTec1_000038 O=C(NCCc1ccccc1)c2ccc(cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B17 compound treatment 0.365 0.00375 0.12 0.347 -0.00631 -0.19 -0.0489 -0.2211 3209592 TimTec1_000039 CNC(=O)CSCc1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B18 compound treatment 0.385 0.0238 0.75 0.38 0.0267 0.79 1.0872 0.9996 3209593 TimTec1_000040 O=C(Oc1nc2ccccc2s1)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B19 compound treatment 0.368 0.00675 0.21 0.325 -0.0283 -0.84 -0.4431 -0.5121 1421610 TimTec1_000041 CN(C(=O)Oc1cccc(c1)C(=O)Nc2ccc(C)c(C)c2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B20 compound treatment 0.361 -2.5E-4 -0.01 0.329 -0.0243 -0.72 -0.515 -0.7148 3209594 TimTec1_000042 COC(=O)NC(Nc1cccc(c1)C(F)(F)F)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B21 compound treatment 0.36 -0.00125 -0.04 0.356 0.00269 0.08 0.0285 0.3211 1920491 TimTec1_000043 COc1ccc2nc(NC(=N)N)nc(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B22 compound treatment 0.388 0.0267 0.84 0.407 0.0537 1.59 1.7197 0.9556 1644751 TimTec1_000044 COc1ccc(cc1)C(=O)Oc2csc(=S)n2C(=O)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B23 mock treatment 0.35 -0.0113 -0.35 0.345 -0.00831 -0.25 -0.4243 -0.9843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 B24 mock treatment 0.378 0.0168 0.53 0.365 0.0117 0.35 0.6173 0.9793 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C01 compound treatment 0.357 -0.00425 -0.13 0.368 0.0147 0.44 0.2132 0.4684 1157703 TimTec1_000045 COc1ccc2C3CC(=Nc4ccccc4N3C(=O)c2c1OC)c5ccc(Br)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C02 compound treatment 0.379 0.0177 0.56 0.39 0.0367 1.09 1.1634 0.952 3209595 TimTec1_000046 COC(=O)CC1=CC(C)(CC(=O)OC)C(C#N)(C#N)C(=C1C#N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C03 compound treatment 0.341 -0.0203 -0.64 0.335 -0.0183 -0.54 -0.8339 -0.9968 1704164 TimTec1_000047 CCCCN(C1CC2CCC(C1)N2C)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C04 compound treatment 0.35 -0.0113 -0.35 0.359 0.00569 0.17 -0.131 -0.3342 1258841 TimTec1_000048 O=C1C(=C2CCCCC2C(c3ccco3)C1(C#N)C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C05 compound treatment 0.338 -0.0233 -0.73 0.339 -0.0143 -0.42 -0.8168 -0.9665 1916777 TimTec1_000049 CC1C/2CC(C(\C2=N\O)S(=O)(=O)N3CCOCC3)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C06 compound treatment 0.357 -0.00425 -0.13 0.349 -0.00431 -0.13 -0.1849 -0.9997 3209596 TimTec1_000050 COC1OC(COC(=O)C)C(OC(=O)C)C(C#N)(C#N)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C07 compound treatment 0.367 0.00575 0.18 0.361 0.00769 0.23 0.2889 0.9935 1250478 TimTec1_000051 OC(COc1ccc(Nc2ccccc2)cc1)COc3ccc(Nc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C08 compound treatment 0.344 -0.0173 -0.54 0.341 -0.0123 -0.36 -0.6415 -0.9814 1606069 TimTec1_000052 CC(C)C(C1C(=O)CC(C)(C)CC1=O)C2=C(O)CC(C)(C)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C09 compound treatment 0.333 -0.0283 -0.89 0.333 -0.0203 -0.6 -1.0537 -0.982 3081440 TimTec1_000053 CCNC(=O)c1ccc(Cl)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C10 compound treatment 0.342 -0.0193 -0.61 0.331 -0.0223 -0.66 -0.8955 -0.999 3209597 TimTec1_000054 Cc1cc[n+](CCOc2ccc(N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C11 compound treatment 0.341 -0.0203 -0.64 0.335 -0.0183 -0.54 -0.8339 -0.9968 1677737 TimTec1_000055 CCCCC(=O)N1C(C)CC(Nc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C12 compound treatment 0.347 -0.0143 -0.45 0.336 -0.0173 -0.51 -0.6796 -0.9977 3081441 TimTec1_000056 CCOC(=O)CCCc1ccc(/C=C/C(=O)O)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C13 compound treatment 0.334 -0.0273 -0.86 0.331 -0.0223 -0.66 -1.0734 -0.9918 3081442 TimTec1_000057 COC(=O)c1nsc(Cl)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C14 compound treatment 0.35 -0.0113 -0.35 0.333 -0.0203 -0.6 -0.6757 -0.9679 1003566 TimTec1_000058 S=C(Nc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C15 compound treatment 0.339 -0.0222 -0.7 0.337 -0.0163 -0.48 -0.8365 -0.9837 1060631 TimTec1_000059 COC(=O)C1=NNC(C1)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C16 compound treatment 0.351 -0.0103 -0.32 0.34 -0.0133 -0.39 -0.5068 -0.995 3081443 TimTec1_000060 CN(C)/C=C(\C=[N+](C)C)/c1n[nH]cc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C17 compound treatment 0.343 -0.0182 -0.57 0.34 -0.0133 -0.39 -0.6847 -0.9833 1149044 TimTec1_000061 Cc1cc(Cl)c(C(=O)N)c(C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C18 compound treatment 0.357 -0.00425 -0.13 0.358 0.00469 0.14 0.0037 0.0193 1602135 TimTec1_000062 CN1CCc2c(C1)c3cc(C)ccc3n2CCc4ccncc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C19 compound treatment 0.372 0.0107 0.34 0.353 -3.12E-4 -0.01 0.2325 0.6875 3081444 TimTec1_000063 CCN1CCN(CC1)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C20 compound treatment 0.364 0.00275 0.09 0.38 0.0267 0.79 0.6203 0.7798 1241763 TimTec1_000064 Oc1ccc2occ(C(=O)c3cccs3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C21 compound treatment 0.674 0.313 9.83 0.647 0.294 8.7 13.1072 0.9981 3081445 TimTec1_000065 Nc1nnnn1/N=C\2/C(=O)Nc3ccc(Br)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C22 compound treatment 0.379 0.0177 0.56 0.368 0.0147 0.44 0.7024 0.9924 1336111 TimTec1_000066 COC(=O)CCc1[nH]c2ccccc2c1Sc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C23 mock treatment 0.336 -0.0253 -0.79 0.339 -0.0143 -0.42 -0.8613 -0.9569 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 C24 mock treatment 0.358 -0.00325 -0.1 0.346 -0.00731 -0.22 -0.2255 -0.9412 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D01 compound treatment 0.357 -0.00425 -0.13 0.388 0.0347 1.03 0.6323 0.61 1420975 TimTec1_000067 CSc1c(CC(=O)Nc2ccc(C)cc2)[nH]c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D02 compound treatment 0.356 -0.00525 -0.17 0.354 6.88E-4 0.02 -0.1023 -0.6152 3209598 TimTec1_000068 OC(=O)CCCC=C(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D03 compound treatment 0.372 0.0107 0.34 0.358 0.00469 0.14 0.3372 0.9228 3209599 TimTec1_000069 Cc1[nH]c2ccccc2c1/C=N/CCc3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D04 compound treatment 0.335 -0.0262 -0.83 0.33 -0.0233 -0.69 -1.0721 -0.9961 3081446 TimTec1_000070 Brc1ccc(OC(=O)c2ccco2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D05 compound treatment 0.335 -0.0262 -0.83 0.319 -0.0343 -1.02 -1.3026 -0.9946 3081447 TimTec1_000071 CCC(=O)n1c(SC)nc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D06 compound treatment 0.337 -0.0243 -0.76 0.327 -0.0263 -0.78 -1.0905 -0.9999 3209600 TimTec1_000072 Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D07 compound treatment 0.351 -0.0103 -0.32 0.342 -0.0113 -0.34 -0.4649 -0.9998 3081448 TimTec1_000073 CCCc1ccc(s1)/C(=N/O)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D08 compound treatment 0.373 0.0118 0.37 0.365 0.0117 0.35 0.5061 0.9995 3209601 TimTec1_000074 CCOC(=O)CCSc1ccccn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D09 compound treatment 0.355 -0.00625 -0.2 0.344 -0.00931 -0.28 -0.3341 -0.9862 1380002 TimTec1_000075 CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D10 compound treatment 0.338 -0.0233 -0.73 0.32 -0.0333 -0.99 -1.2149 -0.9891 3081452 TimTec1_000076 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(Cl)cc4Cl)C(=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D11 compound treatment 0.341 -0.0203 -0.64 0.326 -0.0273 -0.81 -1.0225 -0.993 1674072 TimTec1_000077 Cn1c(CC(=O)O)c(c2ccccc12)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D12 compound treatment 0.35 -0.0113 -0.35 0.338 -0.0153 -0.45 -0.571 -0.9924 1452087 TimTec1_000078 CCSc1nnc-2c(OC(Nc3ccccc32)C(=O)c4ccccc4)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D13 compound treatment 0.324 -0.0372 -1.17 0.316 -0.0373 -1.11 -1.61 -0.9996 1648799 TimTec1_000079 C(CN1CCN(CCSc2ccccc2)CC1)Sc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D14 compound treatment 0.336 -0.0253 -0.79 0.336 -0.0173 -0.51 -0.9241 -0.9777 1276972 TimTec1_000080 Clc1ccccc1CN(Cc2cccnc2)C(=S)NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D15 compound treatment 0.324 -0.0372 -1.17 0.316 -0.0373 -1.11 -1.61 -0.9996 1186617 TimTec1_000081 Cc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D16 compound treatment 0.374 0.0127 0.4 0.365 0.0117 0.35 0.5284 0.9973 1357113 TimTec1_000082 CC1Oc2ccccc2OC1(O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D17 compound treatment 0.352 -0.00925 -0.29 0.338 -0.0153 -0.45 -0.5265 -0.9769 3081458 TimTec1_000083 Brc1ccccc1NCn2nc(oc2=S)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D18 compound treatment 0.344 -0.0173 -0.54 0.338 -0.0153 -0.45 -0.7044 -0.9961 3209728 TimTec1_000084 Fc1ccccc1OC(=O)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D19 compound treatment 0.322 -0.0393 -1.23 0.312 -0.0413 -1.22 -1.7383 -1.0 1270584 TimTec1_000085 Cc1ccc(cc1)S(=O)(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D20 compound treatment 0.337 -0.0243 -0.76 0.328 -0.0253 -0.75 -1.0695 -1.0 3081461 TimTec1_000086 FC(F)(F)c1cccc(c1)c2ccc(/C=N\C3CCS(=O)(=O)C3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D21 compound treatment 0.37 0.00875 0.28 0.363 0.00969 0.29 0.3975 0.9998 1450123 TimTec1_000087 CCOC(=O)c1c(C)n(c2cccc(C)c2)c3ccc(O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D22 compound treatment 0.368 0.00675 0.21 0.367 0.0137 0.41 0.4369 0.9544 3209729 TimTec1_000088 Cc1cccc(c1)C2Sc3ccccc3N=C4C2C(=O)c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D23 mock treatment 0.342 -0.0193 -0.61 0.355 0.00169 0.05 -0.3926 -0.6465 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 D24 mock treatment 0.365 0.00375 0.12 0.366 0.0127 0.38 0.3492 0.8863 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E01 compound treatment 0.348 -0.0133 -0.42 0.37 0.0167 0.49 0.055 0.0851 3209730 TimTec1_000089 CSc1ccccc1NC(=O)c2cc3NC4C(CCc5ccccc45)C(n3n2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E02 compound treatment 0.401 0.0398 1.25 0.408 0.0547 1.62 2.0296 0.9918 3081503 TimTec1_000090 Nc1c(C#N)c(cc(c1C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E03 compound treatment 0.336 -0.0253 -0.79 0.342 -0.0113 -0.34 -0.7984 -0.9265 3081507 TimTec1_000091 Cc1c(Br)c(nn1CC(=O)N2CCOCC2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E04 compound treatment 0.342 -0.0193 -0.61 0.341 -0.0123 -0.36 -0.686 -0.9706 1912602 TimTec1_000092 Brc1cccc(c1)C2C3CCCCC3=C(C#N)C(=O)C2(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E05 compound treatment 0.331 -0.0302 -0.95 0.327 -0.0263 -0.78 -1.2239 -0.9951 3209731 TimTec1_000093 C[N+](C)(C)CC1CCCC1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E06 compound treatment 0.357 -0.00425 -0.13 0.342 -0.0113 -0.34 -0.3315 -0.9187 3081510 TimTec1_000094 [N-]=[N+]=NCc1noc(n1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E07 compound treatment 0.368 0.00675 0.21 0.353 -3.12E-4 -0.01 0.1435 0.6756 1182023 TimTec1_000095 CCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E08 compound treatment 0.354 -0.00725 -0.23 0.341 -0.0123 -0.36 -0.4192 -0.9744 3081512 TimTec1_000096 O=C(NCC[n+]1ccc2ccccc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E09 compound treatment 0.35 -0.0113 -0.35 0.337 -0.0163 -0.48 -0.5919 -0.9882 1029436 TimTec1_000097 OC(=O)CCC(=O)Oc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E10 compound treatment 0.347 -0.0143 -0.45 0.337 -0.0163 -0.48 -0.6586 -0.9993 3209732 TimTec1_000098 Nc1ccc(OCC(O)C[n+]2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E11 compound treatment 0.356 -0.00525 -0.17 0.353 -3.12E-4 -0.01 -0.1233 -0.7456 3081515 TimTec1_000099 O=C(Nc1cccc(NC(=O)/C=C/c2ccco2)n1)/C=C/c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E12 compound treatment 0.347 -0.0143 -0.45 0.341 -0.0123 -0.36 -0.5748 -0.9948 1009007 TimTec1_000100 CCCC(=O)NCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E13 compound treatment 0.351 -0.0103 -0.32 0.335 -0.0183 -0.54 -0.6116 -0.9691 1705451 TimTec1_000101 CC1C2COCC2CC(C1O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E14 compound treatment 0.335 -0.0262 -0.83 0.325 -0.0283 -0.84 -1.1769 -1.0 1074947 TimTec1_000102 Cc1ccc[n+](Cc2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E15 compound treatment 0.365 0.00375 0.12 0.35 -0.00331 -0.1 0.014 0.0911 1394494 TimTec1_000103 Nc1ccc(c2nc3cc(Cl)ccc3o2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E16 compound treatment 0.353 -0.00825 -0.26 0.336 -0.0173 -0.51 -0.5462 -0.9501 3209733 TimTec1_000104 CN(C)/C=C(\C=[N+](C)C)/c1cc([nH]n1)\C(=C/N(C)C)\C=[N+](C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E17 compound treatment 0.354 -0.00725 -0.23 0.351 -0.00231 -0.07 -0.2096 -0.8807 3081522 TimTec1_000105 Oc1ccc(Cl)cc1/N=C/c2ccc(o2)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E18 compound treatment 0.367 0.00575 0.18 0.358 0.00469 0.14 0.2261 0.9915 1633318 TimTec1_000106 Oc1ccc2occ(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E19 compound treatment 0.335 -0.0262 -0.83 0.328 -0.0253 -0.75 -1.114 -0.9989 1221609 TimTec1_000107 CCOC(=O)C1(COC(=O)C1)c2csc(N)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E20 compound treatment 0.357 -0.00425 -0.13 0.341 -0.0123 -0.36 -0.3525 -0.9072 1365512 TimTec1_000108 CSc1c(CC(=O)NCCc2ccccc2)n(C)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E21 compound treatment 0.339 -0.0222 -0.7 0.333 -0.0203 -0.6 -0.9203 -0.9972 3081562 TimTec1_000109 Cc1c(/C=N/c2cccc3nsnc23)c(O)n4c5ccccc5nc4c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E22 compound treatment 0.38 0.0187 0.59 0.376 0.0227 0.67 0.8922 0.9979 1408177 TimTec1_000110 O=C(CCN1CCCCC1)c2cc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E23 mock treatment 0.355 -0.00625 -0.2 0.331 -0.0223 -0.66 -0.6065 -0.8793 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 E24 mock treatment 0.358 -0.00325 -0.1 0.352 -0.00131 -0.04 -0.0998 -0.9124 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F01 compound treatment 0.334 -0.0273 -0.86 0.348 -0.00531 -0.16 -0.7172 -0.8232 1212077 TimTec1_000111 CCOC(=O)c1cc2ccccc2nc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F02 compound treatment 0.344 -0.0173 -0.54 0.337 -0.0163 -0.48 -0.7253 -0.9983 3209734 TimTec1_000112 C=CCNC(=O)CC1CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F03 compound treatment 0.357 -0.00425 -0.13 0.348 -0.00531 -0.16 -0.2058 -0.9967 3209735 TimTec1_000113 COc1ccc(O)c(c1)c2c[nH]c(=S)nc2c3cc(OC)ccc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F04 compound treatment 0.359 -0.00225 -0.07 0.346 -0.00731 -0.22 -0.2032 -0.8917 1743325 TimTec1_000114 COc1ccc2nc3-c4cccc5cccc(-c3nc2c1)c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F05 compound treatment 0.292 -0.0693 -2.18 0.297 -0.0563 -1.67 -2.7196 -0.9914 2104259 TimTec1_000115 Brc1cccc(c1)c2n[nH]c(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F06 compound treatment 0.333 -0.0283 -0.89 0.324 -0.0293 -0.87 -1.2423 -0.9999 1644388 TimTec1_000116 O=S(=O)(CCc1ccncc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F07 compound treatment 0.364 0.00275 0.09 0.351 -0.00231 -0.07 0.0127 0.115 1066566 TimTec1_000117 Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F08 compound treatment 0.342 -0.0193 -0.61 0.336 -0.0173 -0.51 -0.7907 -0.9966 1595822 TimTec1_000118 Nc1ccc(cc1)C(=O)NCC2CCCN3CCCCC23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F09 compound treatment 0.339 -0.0222 -0.7 0.331 -0.0223 -0.66 -0.9622 -0.9996 3209736 TimTec1_000119 CN(C)Cc1c(C#N)c2ccccc2n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F10 compound treatment 0.338 -0.0233 -0.73 0.336 -0.0173 -0.51 -0.8797 -0.985 3081571 TimTec1_000120 Cc1c(O)n(nc1/C=N/n2cnnc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F11 compound treatment 0.35 -0.0113 -0.35 0.35 -0.00331 -0.1 -0.3195 -0.8704 3209737 TimTec1_000121 Oc1ccc(cc1)n2cccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F12 compound treatment 0.424 0.0628 1.97 0.363 0.00969 0.29 1.5982 0.8015 1378112 TimTec1_000122 CC(C)(C)C(=O)c1sc2nc3CCCc3c(c4cccs4)c2c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F13 compound treatment 0.381 0.0198 0.62 0.348 -0.00531 -0.16 0.3278 0.5117 1389415 TimTec1_000123 Clc1cccc(OCCN2CCOCC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F14 compound treatment 0.342 -0.0193 -0.61 0.332 -0.0213 -0.63 -0.8746 -0.9998 3209738 TimTec1_000124 COc1ccc(C/N=C/C2C(=O)N(N=C2C(F)(F)F)c3nc4ccccc4s3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F15 compound treatment 0.333 -0.0283 -0.89 0.344 -0.00931 -0.28 -0.8232 -0.885 1562364 TimTec1_000125 CN1CCN(CCOc2ccccc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F16 compound treatment 0.347 -0.0143 -0.45 0.344 -0.00931 -0.28 -0.512 -0.9729 1380422 TimTec1_000126 Brc1ccccc1OCc2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F17 compound treatment 0.309 -0.0522 -1.64 0.312 -0.0413 -1.22 -2.0273 -0.9895 1337811 TimTec1_000127 COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F18 compound treatment 0.329 -0.0323 -1.01 0.336 -0.0173 -0.51 -1.0798 -0.9502 3209739 TimTec1_000128 O=C(/C=C/C(=O)c1ccccc1)N2c3ccccc3Sc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F19 compound treatment 0.372 0.0107 0.34 0.368 0.0147 0.44 0.5468 0.9922 1683844 TimTec1_000129 CC1(C)CC(C)(c2ccccc2)c3cc(SC#N)ccc3N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F20 compound treatment 0.344 -0.0173 -0.54 0.333 -0.0203 -0.6 -0.8091 -0.9987 1442200 TimTec1_000130 CC1CCN(CC(O)COc2c(F)cc(Br)cc2F)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F21 compound treatment 0.326 -0.0352 -1.11 0.315 -0.0383 -1.14 -1.5865 -0.9999 1404864 TimTec1_000131 OCCN(CCO)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F22 compound treatment 0.369 0.00775 0.24 0.337 -0.0163 -0.48 -0.1695 -0.3131 1413355 TimTec1_000132 CSC1=NC2(CCCCC2)NC3=C1CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F23 mock treatment 0.342 -0.0193 -0.61 0.334 -0.0193 -0.57 -0.8327 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 F24 mock treatment 0.38 0.0187 0.59 0.357 0.00369 0.11 0.4941 0.8241 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G01 compound treatment 0.355 -0.00625 -0.2 0.367 0.0137 0.41 0.1478 0.328 1746897 TimTec1_000133 CC1Cc2ccccc2N1C(=O)c3cccc(n3)C(=O)N4C(C)Cc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G02 compound treatment 0.393 0.0318 1.0 0.392 0.0387 1.15 1.5165 0.9976 1210571 TimTec1_000134 CCOC(=O)C1(C#N)C(C=C(C(=C1N)C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G03 compound treatment 0.338 -0.0233 -0.73 0.33 -0.0233 -0.69 -1.0054 -0.9996 1738871 TimTec1_000135 O=C(C1CC1(c2ccccc2)c3ccccc3)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G04 compound treatment 0.361 -2.5E-4 -0.01 0.342 -0.0113 -0.34 -0.2426 -0.7235 1495985 TimTec1_000136 CC(C)Cc1cc(c(C#N)c(N)n1)c2cccc(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G05 compound treatment 0.355 -0.00625 -0.2 0.348 -0.00531 -0.16 -0.2503 -0.994 1728047 TimTec1_000137 CC(C)(C)c1cc(CCC(=O)NCCN)cc(c1O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G06 compound treatment 0.347 -0.0143 -0.45 0.329 -0.0243 -0.72 -0.8262 -0.9739 1006115 TimTec1_000138 CCN(CC)C1CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G07 compound treatment 0.361 -2.5E-4 -0.01 0.357 0.00369 0.11 0.0717 0.6545 1442213 TimTec1_000139 CN(C)c1nc(Cl)nc(n1)N(CN2C(=O)c3ccccc3C2=O)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G08 compound treatment 0.346 -0.0153 -0.48 0.336 -0.0173 -0.51 -0.7018 -0.9994 1391498 TimTec1_000140 Cc1nc2n(C)c(=O)n(C)c(=O)c2cc1C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G09 compound treatment 0.36 -0.00125 -0.04 0.337 -0.0163 -0.48 -0.3696 -0.7621 1225682 TimTec1_000141 CC(C)Nc1nc(NC(C)C)nc(n1)N(C)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G10 compound treatment 0.371 0.00975 0.31 0.37 0.0167 0.49 0.5664 0.9736 1485808 TimTec1_000142 Cc1cccc(C[N+](C)(C)CCC(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G11 compound treatment 0.357 -0.00425 -0.13 0.351 -0.00231 -0.07 -0.1429 -0.9518 1186157 TimTec1_000143 CC12CCCCC2=NC(N1O)c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G12 compound treatment 0.365 0.00375 0.12 0.339 -0.0143 -0.42 -0.2165 -0.4919 1025931 TimTec1_000144 Cc1ccc(cc1)S(=O)(=O)NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G13 compound treatment 0.372 0.0107 0.34 0.353 -3.12E-4 -0.01 0.2325 0.6875 1323961 TimTec1_000145 S=C(CC(=S)N1CCOCC1)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G14 compound treatment 0.351 -0.0103 -0.32 0.324 -0.0293 -0.87 -0.8421 -0.9089 3209861 TimTec1_000146 CC(=O)NC1CCCCc2sccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G15 compound treatment 0.358 -0.00325 -0.1 0.348 -0.00531 -0.16 -0.1836 -0.9781 1288570 TimTec1_000147 CCCC(CCC)c1nc2ccncc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G16 compound treatment 0.345 -0.0163 -0.51 0.329 -0.0243 -0.72 -0.8707 -0.9858 3209862 TimTec1_000148 OC1=C(C2C3C(CCCC3=O)Oc4ccccc24)C(=O)CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G17 compound treatment 0.349 -0.0123 -0.39 0.339 -0.0143 -0.42 -0.5723 -0.9988 3081632 TimTec1_000149 OC(=O)CCC/N=C(\c1ccc(Cl)cc1)/c2cc(F)ccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G18 compound treatment 0.368 0.00675 0.21 0.349 -0.00431 -0.13 0.0597 0.2411 1713094 TimTec1_000150 CN(C)Cc1c(O)ccc2occ(C(=O)c3cccc(Br)c3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G19 compound treatment 0.362 7.5E-4 0.02 0.364 0.0107 0.32 0.2406 0.7577 3081667 TimTec1_000151 CCCC1CC(C)(OC1=O)C(=O)C[n+]2cccc(c2)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G20 compound treatment 0.354 -0.00725 -0.23 0.357 0.00369 0.11 -0.0839 -0.332 1405391 TimTec1_000152 COc1ccc(OC)c(c1)C(=O)c2coc3ccc(O)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G21 compound treatment 0.352 -0.00925 -0.29 0.335 -0.0183 -0.54 -0.5894 -0.9573 3081670 TimTec1_000153 CC(C)C1(CN2CC/3CN(C1)CC2)\C3=N/N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G22 compound treatment 0.32 -0.0413 -1.3 0.309 -0.0443 -1.31 -1.8456 -1.0 1185154 TimTec1_000154 CCOC(=O)Cn1c(C)c(Sc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G23 mock treatment 0.35 -0.0113 -0.35 0.337 -0.0163 -0.48 -0.5919 -0.9882 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 G24 mock treatment 0.361 -2.5E-4 -0.01 0.348 -0.00531 -0.16 -0.1169 -0.7415 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H01 compound treatment 0.366 0.00475 0.15 0.357 0.00369 0.11 0.1829 0.9882 1114526 TimTec1_000155 NC(=O)c1ccccc1C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H02 compound treatment 0.359 -0.00225 -0.07 0.338 -0.0153 -0.45 -0.3709 -0.8076 3209863 TimTec1_000156 CC(C)c1ccc(cc1)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H03 compound treatment 0.339 -0.0222 -0.7 0.345 -0.00831 -0.25 -0.6689 -0.9018 1440514 TimTec1_000157 COc1ccccc1OCCN2CCN(CC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H04 compound treatment 0.335 -0.0262 -0.83 0.348 -0.00531 -0.16 -0.695 -0.8271 3081674 TimTec1_000158 Cc1c(/C=C/c2ccc(Cl)cc2Cl)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H05 compound treatment 0.333 -0.0283 -0.89 0.332 -0.0213 -0.63 -1.0747 -0.986 3209864 TimTec1_000159 COc1ccc(Br)c2OCCOc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H06 compound treatment 0.358 -0.00325 -0.1 0.344 -0.00931 -0.28 -0.2674 -0.9087 3209865 TimTec1_000160 COc1ccc(NC(=O)CC(=O)CSc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H07 compound treatment 0.356 -0.00525 -0.17 0.339 -0.0143 -0.42 -0.4166 -0.9154 1282382 TimTec1_000161 CN1CCN(Cc2c(C#N)c3ccccc3n2C)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H08 compound treatment 0.344 -0.0173 -0.54 0.338 -0.0153 -0.45 -0.7044 -0.9961 1156260 TimTec1_000162 O=C(CSc1nc2ccccc2o1)Nc3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H09 compound treatment 0.354 -0.00725 -0.23 0.353 -3.12E-4 -0.01 -0.1677 -0.7352 1296268 TimTec1_000163 Cn1c(CN2CCOCC2)c(C#N)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H10 compound treatment 0.355 -0.00625 -0.2 0.339 -0.0143 -0.42 -0.4388 -0.9389 1566355 TimTec1_000164 C1CCC(CC1)Nc2c(nnn2C3CCCCC3)c4ccn[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H11 compound treatment 0.349 -0.0123 -0.39 0.331 -0.0223 -0.66 -0.7399 -0.9669 3081679 TimTec1_000165 CNC(=O)CCc1cc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H12 compound treatment 0.354 -0.00725 -0.23 0.353 -3.12E-4 -0.01 -0.1677 -0.7352 1429944 TimTec1_000166 NC(=S)c1cnc2ccccn2c1=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H13 compound treatment 0.371 0.00975 0.31 0.355 0.00169 0.05 0.2521 0.8117 1210033 TimTec1_000167 O=C(CCN1CCN(CC1)c2ccccc2)Nc3nccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H14 compound treatment 0.34 -0.0213 -0.67 0.338 -0.0153 -0.45 -0.7933 -0.9822 3209866 TimTec1_000168 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/CCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H15 compound treatment 0.371 0.00975 0.31 0.365 0.0117 0.35 0.4617 0.9982 3081684 TimTec1_000169 COc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H16 compound treatment 0.363 0.00175 0.06 0.396 0.0427 1.26 0.9333 0.7372 3209867 TimTec1_000170 C[n+]1c(COc2ccccc2O)sc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H17 compound treatment 0.365 0.00375 0.12 0.352 -0.00131 -0.04 0.0559 0.45 1912978 TimTec1_000171 CC(=O)N1c2ccccc2C(C)(CC1(C)C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H18 compound treatment 0.34 -0.0213 -0.67 0.335 -0.0183 -0.54 -0.8562 -0.9947 3081687 TimTec1_000172 Cn1ccnc1C(=O)Oc2ccccc2F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H19 compound treatment 0.344 -0.0173 -0.54 0.328 -0.0253 -0.75 -0.9139 -0.9873 1280653 TimTec1_000173 CC1=CC(C)(C)N(c2ccccc12)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H20 compound treatment 0.344 -0.0173 -0.54 0.343 -0.0103 -0.31 -0.5996 -0.9631 3209868 TimTec1_000174 O=c1[nH]c2ccc(/N=C/c3ccc4OCOc4c3)cc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H21 compound treatment 0.34 -0.0213 -0.67 0.319 -0.0343 -1.02 -1.1914 -0.9793 3081729 TimTec1_000175 Nc1no[n+]([O-])c1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H22 compound treatment 0.515 0.154 4.83 0.436 0.0827 2.45 5.151 0.9504 3081731 TimTec1_000176 CCOc1ccc2S/C(=C/NC(C)CC)/C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H23 mock treatment 0.346 -0.0153 -0.48 0.334 -0.0193 -0.57 -0.7437 -0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 H24 mock treatment 0.379 0.0177 0.56 0.362 0.00869 0.26 0.5767 0.9383 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I01 compound treatment 0.383 0.0217 0.68 0.384 0.0307 0.91 1.1266 0.9901 1160113 TimTec1_000177 Cc1ccccc1OCC(=O)Nc2ccc3nn(nc3c2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I02 compound treatment 0.367 0.00575 0.18 0.366 0.0127 0.38 0.3937 0.9437 1912584 TimTec1_000178 Nc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I03 compound treatment 0.343 -0.0182 -0.57 0.343 -0.0103 -0.31 -0.6218 -0.9565 3081734 TimTec1_000179 COC(=O)CCC(=O)Nc1nccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I04 compound treatment 0.351 -0.0103 -0.32 0.347 -0.00631 -0.19 -0.3602 -0.9665 1175548 TimTec1_000180 CC(=O)Nc1nc(cc(c1C#N)c2ccccc2)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I05 compound treatment 0.355 -0.00625 -0.2 0.355 0.00169 0.05 -0.1036 -0.5109 1060191 TimTec1_000181 S=C1N(CN2CCCCC2)CCN1CN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I06 compound treatment 0.336 -0.0253 -0.79 0.326 -0.0273 -0.81 -1.1337 -1.0 3209869 TimTec1_000182 CC[N+](C)(CC)Cc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I07 compound treatment 0.319 -0.0423 -1.33 0.321 -0.0323 -0.96 -1.6164 -0.9871 3209870 TimTec1_000183 Cc1cc(NN)nc(SCC(=O)NN)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I08 compound treatment 0.339 -0.0222 -0.7 0.341 -0.0123 -0.36 -0.7527 -0.9539 1289525 TimTec1_000184 C[N+]1(CC(O)C[N+]2(C)CCCCC2)CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I09 compound treatment 0.361 -2.5E-4 -0.01 0.357 0.00369 0.11 0.0717 0.6545 1505713 TimTec1_000185 C1=C(N=C2C=Cc3nonc3C12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I10 compound treatment 0.356 -0.00525 -0.17 0.337 -0.0163 -0.48 -0.4585 -0.8977 1080215 TimTec1_000186 OP(=O)(Nc1ccccc1)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I11 compound treatment 0.342 -0.0193 -0.61 0.336 -0.0173 -0.51 -0.7907 -0.9966 3209871 TimTec1_000187 Cc1c(Br)c(nn1CC(=O)N)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I12 compound treatment 0.35 -0.0113 -0.35 0.34 -0.0133 -0.39 -0.5291 -0.9985 1668354 TimTec1_000188 O=C(N1CCCCC1)c2ccccc2C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I13 compound treatment 0.345 -0.0163 -0.51 0.34 -0.0133 -0.39 -0.6402 -0.9918 1230919 TimTec1_000189 CN(C)CCNc1nc(no1)c2noc(NCCN(C)C)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I14 compound treatment 0.333 -0.0283 -0.89 0.354 6.88E-4 0.02 -0.6137 -0.6907 1641088 TimTec1_000190 C[N+]1(CC(O)CN2CCCC2=O)CCCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I15 compound treatment 0.342 -0.0193 -0.61 0.339 -0.0143 -0.42 -0.7279 -0.9849 1479834 TimTec1_000191 CC1(C)CC(CC(C)(C)N1)NC(=O)N2c3ccccc3CCc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I16 compound treatment 0.345 -0.0163 -0.51 0.333 -0.0203 -0.6 -0.7869 -0.9967 3209872 TimTec1_000192 CCOC(=O)C1(C#N)C(C#N)(C(=O)OCC)C1(C#N)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I17 compound treatment 0.402 0.0408 1.28 0.382 0.0287 0.85 1.5071 0.9801 1350657 TimTec1_000193 COc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I18 compound treatment 0.373 0.0118 0.37 0.364 0.0107 0.32 0.4852 0.9971 1439817 TimTec1_000194 CC(=O)Oc1ccc2occ(C(=O)c3cc4ccccc4o3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I19 compound treatment 0.36 -0.00125 -0.04 0.355 0.00169 0.05 0.0076 0.1189 1619809 TimTec1_000195 Nc1nc(cc(c1C#N)c2ccccc2Cl)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I20 compound treatment 0.413 0.0517 1.63 0.395 0.0417 1.24 2.0241 0.9908 1402303 TimTec1_000196 CN(C)CCC(=O)c1coc2ccc(OC(=O)C)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I21 compound treatment 0.329 -0.0323 -1.01 0.313 -0.0403 -1.19 -1.5617 -0.9967 3209873 TimTec1_000197 C/C(=N\n1nnnc1Nc2ccccc2)/c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I22 compound treatment 0.342 -0.0193 -0.61 0.326 -0.0273 -0.81 -1.0003 -0.9898 1447918 TimTec1_000198 COC(=O)CCC(=O)c1cc2cc(Br)ccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I23 mock treatment 0.34 -0.0213 -0.67 0.332 -0.0213 -0.63 -0.919 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 I24 mock treatment 0.368 0.00675 0.21 0.34 -0.0133 -0.39 -0.1289 -0.2877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J01 compound treatment 0.354 -0.00725 -0.23 0.349 -0.00431 -0.13 -0.2516 -0.9626 1078582 TimTec1_000199 NC(=O)c1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J02 compound treatment 0.339 -0.0222 -0.7 0.347 -0.00631 -0.19 -0.627 -0.8658 1032512 TimTec1_000200 O=C1N(CNc2ccccc2)C(=O)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J03 compound treatment 0.345 -0.0163 -0.51 0.345 -0.00831 -0.25 -0.5355 -0.944 1725358 TimTec1_000201 Cc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J04 compound treatment 0.344 -0.0173 -0.54 0.338 -0.0153 -0.45 -0.7044 -0.9961 1122981 TimTec1_000202 O=C1NC(=O)c2cc(ccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J05 compound treatment 0.348 -0.0133 -0.42 0.342 -0.0113 -0.34 -0.5316 -0.9942 1020688 TimTec1_000203 Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J06 compound treatment 0.354 -0.00725 -0.23 0.352 -0.00131 -0.04 -0.1887 -0.816 1386865 TimTec1_000204 COC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J07 compound treatment 0.363 0.00175 0.06 0.355 0.00169 0.05 0.0743 0.9989 1498066 TimTec1_000205 CC(=O)Nc1c(oc2ccccc12)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J08 compound treatment 0.337 -0.0243 -0.76 0.337 -0.0163 -0.48 -0.881 -0.9758 1326858 TimTec1_000206 CN1CCc2c(C1)c(nc3[nH]nc(N)c23)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J09 compound treatment 0.334 -0.0273 -0.86 0.312 -0.0413 -1.22 -1.4715 -0.9848 1734489 TimTec1_000207 Cn1c(CSCc2ccccc2)c(C#N)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J10 compound treatment 0.346 -0.0153 -0.48 0.331 -0.0223 -0.66 -0.8066 -0.9876 3209874 TimTec1_000208 O/N=C\1/C2CN3CC1(Cc4ccccc4)CN(C2)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J11 compound treatment 0.342 -0.0193 -0.61 0.34 -0.0133 -0.39 -0.7069 -0.9785 3081797 TimTec1_000209 S(c1ccccn1)c2ncnc3c4ccccc4oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J12 compound treatment 0.379 0.0177 0.56 0.351 -0.00231 -0.07 0.3462 0.6157 3209875 TimTec1_000210 CCOC(=O)[C@@]1(C#N)[C@H]([C@@H](N2C=C(C=C[C@H]21)C(=O)N)C(=O)N)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J13 compound treatment 0.355 -0.00625 -0.2 0.334 -0.0193 -0.57 -0.5436 -0.8984 3081799 TimTec1_000211 C(Sc1ncnc2c3ccccc3oc12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J14 compound treatment 0.343 -0.0182 -0.57 0.353 -3.12E-4 -0.01 -0.4123 -0.7184 3081800 TimTec1_000212 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/Cc4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J15 compound treatment 0.358 -0.00325 -0.1 0.349 -0.00431 -0.13 -0.1626 -0.9939 1498770 TimTec1_000213 COc1cc(OC)cc(c1)C(=O)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J16 compound treatment 0.352 -0.00925 -0.29 0.33 -0.0233 -0.69 -0.6941 -0.9261 1358111 TimTec1_000214 Oc1ccccc1OCC(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J17 compound treatment 0.353 -0.00825 -0.26 0.332 -0.0213 -0.63 -0.63 -0.9227 1091978 TimTec1_000215 CCOC(=O)CN=C(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J18 compound treatment 0.375 0.0138 0.43 0.361 0.00769 0.23 0.4668 0.9552 1917358 TimTec1_000216 CN1CCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J19 compound treatment 0.374 0.0127 0.4 0.358 0.00469 0.14 0.3817 0.8996 1066363 TimTec1_000217 COc1ccc2NC(C)(C)C=C(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J20 compound treatment 0.374 0.0127 0.4 0.352 -0.00131 -0.04 0.256 0.6355 1921867 TimTec1_000218 On1c(nc-2c1CCc3c2no[n+]3[O-])c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J21 compound treatment 0.375 0.0138 0.43 0.339 -0.0143 -0.42 0.0058 0.0096 3081805 TimTec1_000219 Nc1c(no[n+]1[O-])C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J22 compound treatment 0.348 -0.0133 -0.42 0.331 -0.0223 -0.66 -0.7621 -0.9752 1879059 TimTec1_000220 CNC(=O)N(Cc1cccnc1)Cc2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J23 mock treatment 0.343 -0.0182 -0.57 0.346 -0.00731 -0.22 -0.559 -0.9113 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 J24 mock treatment 0.392 0.0308 0.97 0.362 0.00869 0.26 0.8657 0.8652 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K01 compound treatment 0.357 -0.00425 -0.13 0.362 0.00869 0.26 0.0875 0.3018 1259801 TimTec1_000221 CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K02 compound treatment 0.382 0.0208 0.65 0.37 0.0167 0.49 0.811 0.9906 1151146 TimTec1_000222 Nc1c(C#N)c(c2ccccc2)c3CCCCc3c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K03 compound treatment 0.347 -0.0143 -0.45 0.342 -0.0113 -0.34 -0.5539 -0.9898 1392387 TimTec1_000223 Brc1ccc(o1)C(=O)Nc2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K04 compound treatment 0.345 -0.0163 -0.51 0.339 -0.0143 -0.42 -0.6612 -0.9957 1275980 TimTec1_000224 Clc1ccc(OCC(=O)NCC=C)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K05 compound treatment 0.352 -0.00925 -0.29 0.347 -0.00631 -0.19 -0.3379 -0.9772 1285366 TimTec1_000225 Cc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K06 compound treatment 0.334 -0.0273 -0.86 0.331 -0.0223 -0.66 -1.0734 -0.9918 3081809 TimTec1_000226 Cc1cc(C)nc(SCC(=O)NN)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K07 compound treatment 0.365 0.00375 0.12 0.338 -0.0153 -0.45 -0.2375 -0.5065 1584109 TimTec1_000227 NNC(=O)C1CC2CC1CC2C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K08 compound treatment 0.362 7.5E-4 0.02 0.335 -0.0183 -0.54 -0.367 -0.6757 1914424 TimTec1_000228 C(=N/C(\N=C\c1ccccc1)c2ccccc2)\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K09 compound treatment 0.35 -0.0113 -0.35 0.33 -0.0233 -0.69 -0.7386 -0.9517 3081861 TimTec1_000229 COC(=O)c1ccc(NC(=S)NC(=O)N2CCOCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K10 compound treatment 0.342 -0.0193 -0.61 0.328 -0.0253 -0.75 -0.9584 -0.9943 3209999 TimTec1_000230 CC(=O)OC1COC(NC(=S)Oc2ccccc2)C(OC(=O)C)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K11 compound treatment 0.344 -0.0173 -0.54 0.329 -0.0243 -0.72 -0.8929 -0.9902 3081863 TimTec1_000231 CCOC(=O)Cn1nc(cc1C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K12 compound treatment 0.366 0.00475 0.15 0.333 -0.0203 -0.6 -0.32 -0.516 3210000 TimTec1_000232 COc1ccc(/C=C/C(=O)OC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K13 compound treatment 0.387 0.0257 0.81 0.376 0.0227 0.67 1.0479 0.9957 3081865 TimTec1_000233 c1ccc(cc1)c2cnc3nonc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K14 compound treatment 0.114 -0.247 -7.77 0.125 -0.228 -6.77 -10.2811 -0.9976 1474168 TimTec1_000234 COc1ccc(CCN(C)C(=S)NN)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K15 compound treatment 0.353 -0.00825 -0.26 0.347 -0.00631 -0.19 -0.3157 -0.9871 1445690 TimTec1_000235 OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)N3CCCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K16 compound treatment 0.346 -0.0153 -0.48 0.343 -0.0103 -0.31 -0.5551 -0.9763 1033126 TimTec1_000236 Cc1ccc(cc1)S(=O)(=O)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K17 compound treatment 0.329 -0.0323 -1.01 0.32 -0.0333 -0.99 -1.415 -0.9999 1183681 TimTec1_000237 COc1cc(NC(=O)Cc2ccc(F)cc2)cc(c1)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K18 compound treatment 0.359 -0.00225 -0.07 0.344 -0.00931 -0.28 -0.2451 -0.8606 1604299 TimTec1_000238 COc1cc2c(NC(=O)C)c(CN(C)C)oc2c(Cl)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K19 compound treatment 0.366 0.00475 0.15 0.347 -0.00631 -0.19 -0.0267 -0.1113 3210001 TimTec1_000239 NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K20 compound treatment 0.371 0.00975 0.31 0.354 6.88E-4 0.02 0.2312 0.7524 3081870 TimTec1_000240 CCOC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K21 compound treatment 0.354 -0.00725 -0.23 0.328 -0.0253 -0.75 -0.6916 -0.8822 3210002 TimTec1_000241 S=c1n(CN(Cc2ccccc2)Cc3ccccc3)nnn1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K22 compound treatment 0.364 0.00275 0.09 0.358 0.00469 0.14 0.1594 0.974 1023688 TimTec1_000242 CN(C)CCC(=O)c1ccco1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K23 mock treatment 0.347 -0.0143 -0.45 0.344 -0.00931 -0.28 -0.512 -0.9729 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 K24 mock treatment 0.374 0.0127 0.4 0.358 0.00469 0.14 0.3817 0.8996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L01 compound treatment 0.354 -0.00725 -0.23 0.354 6.88E-4 0.02 -0.1468 -0.6414 1264988 TimTec1_000243 COc1cc(N)c(Cl)cc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L02 compound treatment 0.335 -0.0262 -0.83 0.335 -0.0183 -0.54 -0.9673 -0.9793 1706058 TimTec1_000244 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L03 compound treatment 0.327 -0.0343 -1.08 0.336 -0.0173 -0.51 -1.1243 -0.9425 1357677 TimTec1_000245 CNC(=O)c1cnc2cc(Cl)ccc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L04 compound treatment 0.336 -0.0253 -0.79 0.342 -0.0113 -0.34 -0.7984 -0.9265 1569209 TimTec1_000246 O=S(=O)(NC1c2ccccc2Oc3ccccc13)c4ccc5ccccc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L05 compound treatment 0.368 0.00675 0.21 0.359 0.00569 0.17 0.2692 0.9935 1015215 TimTec1_000247 COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L06 compound treatment 0.348 -0.0133 -0.42 0.344 -0.00931 -0.28 -0.4897 -0.98 1490465 TimTec1_000248 COc1ccc(SCC(=O)Nc2ccccn2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L07 compound treatment 0.345 -0.0163 -0.51 0.345 -0.00831 -0.25 -0.5355 -0.944 1204062 TimTec1_000249 CSc1c(CC(=O)NN)n(C)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L08 compound treatment 0.363 0.00175 0.06 0.352 -0.00131 -0.04 0.0114 0.1693 1235682 TimTec1_000250 CCc1nc2[nH]nc(N)c2c3CC(C)(C)OCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L09 compound treatment 0.367 0.00575 0.18 0.357 0.00369 0.11 0.2051 0.9709 3081877 TimTec1_000251 O=C(/C=C/N1CCOCC1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L10 compound treatment 0.405 0.0437 1.38 0.392 0.0387 1.15 1.7833 0.9959 3210003 TimTec1_000252 C[n+]1ccc(/C=C/c2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L11 compound treatment 0.365 0.00375 0.12 0.356 0.00269 0.08 0.1397 0.9817 1338690 TimTec1_000253 CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(C)cc3)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L12 compound treatment 0.4 0.0388 1.22 0.394 0.0407 1.21 1.7141 1.0 1654307 TimTec1_000254 CC1(C)Cc2c(C#N)c3nc(cnn3c2CO1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L13 compound treatment 0.367 0.00575 0.18 0.351 -0.00231 -0.07 0.0794 0.4106 1245793 TimTec1_000255 CCc1oc2ccccc2c1C(=O)c3ccc(OC(=O)C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L14 compound treatment 0.341 -0.0203 -0.64 0.332 -0.0213 -0.63 -0.8968 -1.0 3081942 TimTec1_000256 CN(C)S(=O)(=O)c1ccc(N/C=C\2/C(=C(C#N)C(=O)N(C)C2=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L15 compound treatment 0.398 0.0367 1.16 0.355 0.00169 0.05 0.8525 0.737 1570064 TimTec1_000257 Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L16 compound treatment 0.351 -0.0103 -0.32 0.331 -0.0223 -0.66 -0.6954 -0.9455 1509985 TimTec1_000258 C=CCC1CCCCC1NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L17 compound treatment 0.339 -0.0222 -0.7 0.331 -0.0223 -0.66 -0.9622 -0.9996 1455868 TimTec1_000259 COc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L18 compound treatment 0.355 -0.00625 -0.2 0.339 -0.0143 -0.42 -0.4388 -0.9389 3210004 TimTec1_000260 Fc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L19 compound treatment 0.393 0.0318 1.0 0.363 0.00969 0.29 0.9089 0.875 1369950 TimTec1_000261 CCOc1ccc2N(C)C(C)(C)c3ssc(=S)c3-c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L20 compound treatment 0.368 0.00675 0.21 0.353 -3.12E-4 -0.01 0.1435 0.6756 3210005 TimTec1_000262 NC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L21 compound treatment 0.361 -2.5E-4 -0.01 0.357 0.00369 0.11 0.0717 0.6545 1298997 TimTec1_000263 CCOC(=O)c1c(CNc2cccc(c2)C(=O)N)n(C)c3cc(Br)c(OC(=O)C)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L22 compound treatment 0.339 -0.0222 -0.7 0.331 -0.0223 -0.66 -0.9622 -0.9996 1677367 TimTec1_000264 O=C(Nc1c(cnn1c2ccccc2)C(=O)N3CCCCC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L23 mock treatment 0.337 -0.0243 -0.76 0.332 -0.0213 -0.63 -0.9857 -0.9956 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 L24 mock treatment 0.363 0.00175 0.06 0.362 0.00869 0.26 0.2209 0.8393 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M01 compound treatment 0.365 0.00375 0.12 0.363 0.00969 0.29 0.2864 0.9227 1321921 TimTec1_000265 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M02 compound treatment 0.367 0.00575 0.18 0.366 0.0127 0.38 0.3937 0.9437 3081949 TimTec1_000266 CCC1(C)C/C(=C\C)/C(=C(N)C1(C#N)C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M03 compound treatment 0.345 -0.0163 -0.51 0.346 -0.00731 -0.22 -0.5145 -0.9271 1666559 TimTec1_000267 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)ncn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M04 compound treatment 0.341 -0.0203 -0.64 0.352 -0.00131 -0.04 -0.4777 -0.7489 1006470 TimTec1_000268 C[N+](C)(Cc1ccccc1)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M05 compound treatment 0.35 -0.0113 -0.35 0.36 0.00669 0.2 -0.11 -0.2713 3210006 TimTec1_000269 O=S(N1CCOCC1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M06 compound treatment 0.376 0.0147 0.46 0.373 0.0197 0.58 0.7405 0.9935 3081952 TimTec1_000270 S=C(Nc1ccccc1)N=S(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M07 compound treatment 0.343 -0.0182 -0.57 0.35 -0.00331 -0.1 -0.4752 -0.8162 1489996 TimTec1_000271 COC1OC2COC(OC2CC1O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M08 compound treatment 0.351 -0.0103 -0.32 0.328 -0.0253 -0.75 -0.7583 -0.9288 3210007 TimTec1_000272 O=C(c1ccccc1)c2cc[n+](Cc3ccccn3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M09 compound treatment 0.372 0.0107 0.34 0.342 -0.0113 -0.34 0.002 0.0042 3210008 TimTec1_000273 Cc1ccc(/C=C/C(=O)NC(=S)N2CCN(CC2)c3ccc(F)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M10 compound treatment 0.339 -0.0222 -0.7 0.358 0.00469 0.14 -0.3965 -0.5559 1433383 TimTec1_000274 CCCOC(=S)NC1OCC(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M11 compound treatment 0.379 0.0177 0.56 0.348 -0.00531 -0.16 0.2833 0.4886 1720341 TimTec1_000275 O=C(Nc1ccc(cc1)c2ccccc2)C3CC3c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M12 compound treatment 0.341 -0.0203 -0.64 0.338 -0.0153 -0.45 -0.7711 -0.9862 3081955 TimTec1_000276 COc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M13 compound treatment 0.357 -0.00425 -0.13 0.338 -0.0153 -0.45 -0.4153 -0.8781 1475730 TimTec1_000277 CCOC(=O)c1nonc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M14 compound treatment 0.278 -0.0833 -2.62 0.284 -0.0693 -2.05 -3.3033 -0.9928 3082017 TimTec1_000278 Clc1ccc(cc1)C2=NN=C(SC2)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M15 compound treatment 0.378 0.0168 0.53 0.371 0.0177 0.52 0.743 1.0 1344248 TimTec1_000279 CCN(CC)CCC(O)(C1CCCCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M16 compound treatment 0.362 7.5E-4 0.02 0.341 -0.0123 -0.36 -0.2413 -0.66 1532600 TimTec1_000280 Cc1nc2ccccc2cc1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M17 compound treatment 0.387 0.0257 0.81 0.354 6.88E-4 0.02 0.5869 0.7247 3210120 TimTec1_000281 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)NCCN4CCOCC4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M18 compound treatment 0.384 0.0227 0.72 0.384 0.0307 0.91 1.1488 0.9929 1325986 TimTec1_000282 Cc1ccc(o1)C(=O)c2coc3ccc(O)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M19 compound treatment 0.368 0.00675 0.21 0.36 0.00669 0.2 0.2902 0.9994 3210121 TimTec1_000283 OCC(CO)(CO)NC=C1C(=O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M20 compound treatment 0.354 -0.00725 -0.23 0.347 -0.00631 -0.19 -0.2935 -0.9952 1295715 TimTec1_000284 OC(=O)CCCc1cc2cc(Br)ccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M21 compound treatment 0.368 0.00675 0.21 0.354 6.88E-4 0.02 0.1645 0.7714 3210122 TimTec1_000285 Brc1ccc(/N=C(\c2ccccc2)/c3ccncc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M22 compound treatment 0.353 -0.00825 -0.26 0.34 -0.0133 -0.39 -0.4624 -0.9793 1536799 TimTec1_000286 Clc1cccc(NC(=O)NCCN2CCCCC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M23 mock treatment 0.364 0.00275 0.09 0.346 -0.00731 -0.22 -0.0921 -0.3947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 M24 mock treatment 0.379 0.0177 0.56 0.373 0.0197 0.58 0.8072 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N01 compound treatment 0.364 0.00275 0.09 0.35 -0.00331 -0.1 -0.0083 -0.0632 1530149 TimTec1_000287 CCCCN1CCC(CC1)(Nc2ccccc2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N02 compound treatment 0.337 -0.0243 -0.76 0.339 -0.0143 -0.42 -0.8391 -0.9617 1146434 TimTec1_000288 O=C(COC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N03 compound treatment 0.353 -0.00825 -0.26 0.348 -0.00531 -0.16 -0.2947 -0.9713 1353615 TimTec1_000289 CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N04 compound treatment 0.349 -0.0123 -0.39 0.359 0.00569 0.17 -0.1532 -0.3644 1022729 TimTec1_000290 O=C1N(C2c3ccccc3Oc4ccccc24)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N05 compound treatment 0.355 -0.00625 -0.2 0.351 -0.00231 -0.07 -0.1874 -0.9005 3082023 TimTec1_000291 O=C1N(/N=C/c2ccccc2)C(=O)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N06 compound treatment 0.368 0.00675 0.21 0.369 0.0157 0.46 0.4788 0.9369 3210123 TimTec1_000292 O=C(CSc1ccccn1)Nc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N07 compound treatment 0.344 -0.0173 -0.54 0.364 0.0107 0.32 -0.1596 -0.2541 3082025 TimTec1_000293 Cc1cc(n[nH]1)c2cc(C)[nH]n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N08 compound treatment 0.346 -0.0153 -0.48 0.331 -0.0223 -0.66 -0.8066 -0.9876 1617345 TimTec1_000294 CN1CCc2c(C1)c(NCCO)nc3[nH]nc(N)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N09 compound treatment 0.325 -0.0362 -1.14 0.313 -0.0403 -1.19 -1.6506 -0.9997 1226159 TimTec1_000295 C(Cc1ccncc1)Nc2ccc(OCc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N10 compound treatment 0.365 0.00375 0.12 0.373 0.0197 0.58 0.4959 0.8332 3210124 TimTec1_000296 COc1ccc2c(C)nc(N/C(=N/C(=O)C)/N)nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N11 compound treatment 0.359 -0.00225 -0.07 0.351 -0.00231 -0.07 -0.0985 -0.9999 1294429 TimTec1_000297 CC(=O)Nc1c(oc2ccc(Br)cc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N12 compound treatment 0.369 0.00775 0.24 0.361 0.00769 0.23 0.3334 0.9994 3210125 TimTec1_000298 CC1(C)Cc2c(C#N)c(=S)[nH]c(N3CCOCC3)c2CS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N13 compound treatment 0.328 -0.0333 -1.05 0.318 -0.0353 -1.05 -1.4792 -1.0 1155921 TimTec1_000299 N#CC(CCN1CCN(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N14 compound treatment 0.357 -0.00425 -0.13 0.354 6.88E-4 0.02 -0.0801 -0.5925 1441186 TimTec1_000300 C1CCC(CC1)c2nnc(o2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N15 compound treatment 0.343 -0.0182 -0.57 0.339 -0.0143 -0.42 -0.7057 -0.9889 3210126 TimTec1_000301 CCC(C)C1=NN(C(=O)c2ccccc2)C(O)(C1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N16 compound treatment 0.362 7.5E-4 0.02 0.343 -0.0103 -0.31 -0.1994 -0.6506 3082032 TimTec1_000302 Cc1ccc(cc1)c2ccc(OC(=O)c3ccccc3F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N17 compound treatment 0.353 -0.00825 -0.26 0.336 -0.0173 -0.51 -0.5462 -0.9501 1424431 TimTec1_000303 CC1=CC(C)(C)N(Cc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N18 compound treatment 0.352 -0.00925 -0.29 0.34 -0.0133 -0.39 -0.4846 -0.9888 3081117 TimTec1_000304 Fc1ccc(/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N19 compound treatment 0.341 -0.0203 -0.64 0.343 -0.0103 -0.31 -0.6663 -0.9434 3210127 TimTec1_000305 CC(C)C(=O)N1c2ccc(C)cc2-c3c(ssc3=S)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N20 compound treatment 0.372 0.0107 0.34 0.358 0.00469 0.14 0.3372 0.9228 3081119 TimTec1_000306 CCOc1cc(/C=C/2\SCOC2=O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N21 compound treatment 0.345 -0.0163 -0.51 0.333 -0.0203 -0.6 -0.7869 -0.9967 1693566 TimTec1_000307 CCOC(=O)c1c(C)n(C)c2ccc(O)c(c12)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N22 compound treatment 0.348 -0.0133 -0.42 0.336 -0.0173 -0.51 -0.6573 -0.9947 1465551 TimTec1_000308 Fc1ccc(CC(=O)NC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N23 mock treatment 0.35 -0.0113 -0.35 0.34 -0.0133 -0.39 -0.5291 -0.9985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 N24 mock treatment 0.367 0.00575 0.18 0.373 0.0197 0.58 0.5404 0.8847 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O01 compound treatment 0.383 0.0217 0.68 0.37 0.0167 0.49 0.8332 0.9873 1586093 TimTec1_000309 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O02 compound treatment 0.377 0.0158 0.5 0.371 0.0177 0.52 0.7208 0.9996 1502323 TimTec1_000310 Nc1nc2CCCc2c(c1C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O03 compound treatment 0.357 -0.00425 -0.13 0.361 0.00769 0.23 0.0666 0.2521 3210128 TimTec1_000311 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O04 compound treatment 0.35 -0.0113 -0.35 0.355 0.00169 0.05 -0.2148 -0.6012 1176923 TimTec1_000312 C[N+](C)(CCC#N)Cc1cccc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O05 compound treatment 0.383 0.0217 0.68 0.383 0.0297 0.88 1.1056 0.9923 3081123 TimTec1_000313 S=C(SN1CCOCC1)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O06 compound treatment 0.349 -0.0123 -0.39 0.349 -0.00431 -0.13 -0.3627 -0.8938 1002693 TimTec1_000314 COC1OC2COC(OC2C(O)C1O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O07 compound treatment 0.357 -0.00425 -0.13 0.359 0.00569 0.17 0.0247 0.1147 1507393 TimTec1_000315 CCCOC(=S)NC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O08 compound treatment 0.345 -0.0163 -0.51 0.346 -0.00731 -0.22 -0.5145 -0.9271 3081125 TimTec1_000316 C(c1ccccc1)c2ccc[n+](Cc3ccccn3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O09 compound treatment 0.372 0.0107 0.34 0.361 0.00769 0.23 0.4001 0.9815 3210129 TimTec1_000317 Cc1cc(C)n(n1)C(=O)COc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O10 compound treatment 0.37 0.00875 0.28 0.357 0.00369 0.11 0.2718 0.9182 1676440 TimTec1_000318 CC12CCC3C(CC=C4CC(CCC34C)OC5CCCCO5)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O11 compound treatment 0.375 0.0138 0.43 0.357 0.00369 0.11 0.383 0.8588 1921096 TimTec1_000319 O=C1NC(=O)C2(COC(OC2)c3ccccc3)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O12 compound treatment 0.354 -0.00725 -0.23 0.352 -0.00131 -0.04 -0.1887 -0.816 3081128 TimTec1_000320 COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O13 compound treatment 0.356 -0.00525 -0.17 0.341 -0.0123 -0.36 -0.3747 -0.9357 3081129 TimTec1_000321 COc1nonc1NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O14 compound treatment 0.385 0.0238 0.75 0.373 0.0197 0.58 0.9406 0.9925 1215803 TimTec1_000322 CN(C)CCSc1nc2ccccc2c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O15 compound treatment 0.382 0.0208 0.65 0.366 0.0127 0.38 0.7272 0.9657 1134169 TimTec1_000323 COc1ccc(c2nc3nnc(C)n3[nH]2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O16 compound treatment 0.389 0.0278 0.87 0.352 -0.00131 -0.04 0.5895 0.6749 1165035 TimTec1_000324 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4ccc(OC(=O)C)cc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O17 compound treatment 0.358 -0.00325 -0.1 0.354 6.88E-4 0.02 -0.0579 -0.5552 3210130 TimTec1_000325 CC(=O)Nc1ccc(/N=C/c2ccc(cc2)N3CCOCC3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O18 compound treatment 0.365 0.00375 0.12 0.356 0.00269 0.08 0.1397 0.9817 1656585 TimTec1_000326 OC(=O)C(Cc1ccsc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O19 compound treatment 0.35 -0.0113 -0.35 0.36 0.00669 0.2 -0.11 -0.2713 3081133 TimTec1_000327 CC1(C)CC(=O)C(=CNC(CO)(CO)CO)C(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O20 compound treatment 0.367 0.00575 0.18 0.357 0.00369 0.11 0.2051 0.9709 3210131 TimTec1_000328 CCOC(=O)c1c(CNC(C)C)oc2ccc(OC)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O21 compound treatment 0.42 0.0587 1.85 0.408 0.0547 1.62 2.4521 0.9979 3210132 TimTec1_000329 Cc1ccc(C)c(c1)[C@H]2[C@@H](N3C(C=Cc4ccccc34)C2(C#N)C#N)C(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O22 compound treatment 0.403 0.0418 1.31 0.368 0.0147 0.44 1.236 0.8937 1145302 TimTec1_000330 CCOC(=O)c1c(C)n(C2CCCCC2)c3ccc(O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O23 mock treatment 0.366 0.00475 0.15 0.363 0.00969 0.29 0.3086 0.9537 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 O24 mock treatment 0.385 0.0238 0.75 0.375 0.0217 0.64 0.9825 0.9972 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P01 compound treatment 0.386 0.0248 0.78 0.38 0.0267 0.79 1.1095 1.0 1004729 TimTec1_000331 COC(=O)c1ccccc1C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P02 compound treatment 0.376 0.0147 0.46 0.375 0.0217 0.64 0.7824 0.9872 3210133 TimTec1_000332 O=C(Oc1cc(OC(=O)c2ccco2)cc(OC(=O)c3ccco3)c1)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P03 compound treatment 0.363 0.00175 0.06 0.367 0.0137 0.41 0.3257 0.7958 3081813 TimTec1_000333 CCOC(=O)Cc1c(SC)c2ccccc2n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P04 compound treatment 0.361 -2.5E-4 -0.01 0.369 0.0157 0.46 0.3231 0.695 3081814 TimTec1_000334 CCN(CC)CCOc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P05 compound treatment 0.371 0.00975 0.31 0.382 0.0287 0.85 0.8179 0.9051 3210134 TimTec1_000335 O=C(Cc1ccccc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P06 compound treatment 0.373 0.0118 0.37 0.374 0.0207 0.61 0.6947 0.9706 1158366 TimTec1_000336 O=C(Nc1ccccc1)C(=S)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P07 compound treatment 0.393 0.0318 1.0 0.396 0.0427 1.26 1.6003 0.9931 1365315 TimTec1_000337 CCOC(=O)c1c(COC(=O)C)n(C)c2cc(Br)c(OC)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P08 compound treatment 0.381 0.0198 0.62 0.384 0.0307 0.91 1.0821 0.9827 1268733 TimTec1_000338 Nc1c(N2CCN(CC2)c3ccccc3)c4ccccc4oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P09 compound treatment 0.392 0.0308 0.97 0.379 0.0257 0.76 1.2219 0.993 1047274 TimTec1_000339 CC(=O)Nc1ccc(OCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P10 compound treatment 0.411 0.0498 1.56 0.414 0.0607 1.8 2.3777 0.9976 1459196 TimTec1_000340 CCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P11 compound treatment 0.375 0.0138 0.43 0.366 0.0127 0.38 0.5716 0.9976 1347458 TimTec1_000341 CCOC(=O)c1oc2ccccc2c1NC(=O)CCN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P12 compound treatment 0.373 0.0118 0.37 0.359 0.00569 0.17 0.3804 0.9368 1693186 TimTec1_000342 Cc1nn2c(=O)c3CCCc3[nH]c2c1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P13 compound treatment 0.406 0.0447 1.41 0.405 0.0517 1.53 2.078 0.9991 1228757 TimTec1_000343 CC1(C)CC(=O)c2c(c([nH]c2C1)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P14 compound treatment 0.369 0.00775 0.24 0.373 0.0197 0.58 0.5848 0.925 3081883 TimTec1_000344 NCCCc1nc2cc3sc(CCCN)nc3cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P15 compound treatment 0.42 0.0587 1.85 0.407 0.0537 1.59 2.4311 0.9972 1650512 TimTec1_000345 CC1=NN(C(=O)Cc2ccccc2)C(O)(C1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P16 compound treatment 0.406 0.0447 1.41 0.371 0.0177 0.52 1.3656 0.9094 3081885 TimTec1_000346 N#Cc1ccc(C#N)c(c1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P17 compound treatment 0.398 0.0367 1.16 0.372 0.0187 0.55 1.2086 0.9432 3081886 TimTec1_000347 Cc1ccc(cc1)C2=C/C(=C/3\OC(=O)c4ccccc34)/C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P18 compound treatment 0.415 0.0537 1.69 0.384 0.0307 0.91 1.8381 0.9577 3210253 TimTec1_000348 COC(=O)NC(Nc1ccccc1C(F)(F)F)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P19 compound treatment 0.368 0.00675 0.21 0.376 0.0227 0.67 0.6254 0.8872 1111738 TimTec1_000349 Cc1nc(NC(=N)N)nc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P20 compound treatment 0.378 0.0168 0.53 0.371 0.0177 0.52 0.743 1.0 1449841 TimTec1_000350 OC(=O)CCN1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P21 compound treatment 0.372 0.0107 0.34 0.365 0.0117 0.35 0.4839 0.9999 1530469 TimTec1_000351 O=C(CSc1nc2ccccc2s1)NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P22 compound treatment 0.381 0.0198 0.62 0.372 0.0187 0.55 0.8307 0.9984 1494539 TimTec1_000352 CCCN(CCC)C(=O)c1cnn(c1NC(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P23 mock treatment 0.367 0.00575 0.18 0.365 0.0117 0.35 0.3727 0.9541 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2063 P24 mock treatment 0.407 0.0457 1.44 0.403 0.0497 1.47 2.0583 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A01 compound treatment 0.435 0.0207 0.65 0.442 0.0265 0.79 1.016 0.9956 3081276 TimTec1_000705 CN(C)C(=O)c1cc(Cl)ccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A02 compound treatment 0.417 0.00269 0.08 0.437 0.0215 0.64 0.511 0.794 1727664 TimTec1_000706 Cc1cccc(NC(=O)c2cnn(c2NC(=O)c3ccco3)c4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A03 compound treatment 0.404 -0.0103 -0.32 0.423 0.00753 0.22 -0.0713 -0.1813 1225534 TimTec1_000707 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A04 compound treatment 0.41 -0.00431 -0.14 0.431 0.0155 0.46 0.2297 0.4787 3211034 TimTec1_000708 COC(=O)CSc1nc(ccc1C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A05 compound treatment 0.401 -0.0133 -0.42 0.42 0.00453 0.13 -0.2009 -0.4571 1669652 TimTec1_000709 O=C(CSc1nc2ccccc2o1)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A06 compound treatment 0.394 -0.0203 -0.64 0.43 0.0145 0.43 -0.147 -0.1909 1013954 TimTec1_000710 COC(=O)c1cccc(c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A07 compound treatment 0.422 0.00769 0.24 0.448 0.0325 0.96 0.8527 0.8579 1089954 TimTec1_000711 OC(=O)c1ccc(Oc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A08 compound treatment 0.401 -0.0133 -0.42 0.42 0.00453 0.13 -0.2009 -0.4571 1005718 TimTec1_000712 OC(=O)CCC(=O)OCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A09 compound treatment 0.443 0.0287 0.9 0.457 0.0415 1.23 1.5082 0.9883 1474924 TimTec1_000713 CN(C)Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A10 compound treatment 0.43 0.0157 0.49 0.436 0.0205 0.61 0.7791 0.9946 3211035 TimTec1_000714 Oc1cccc(/N=C/c2cc(Br)ccc2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A11 compound treatment 0.424 0.00969 0.3 0.448 0.0325 0.96 0.8972 0.8874 3081282 TimTec1_000715 Cc1ccc(O)c(c1)C2=Nc3ccccc3N=C(C2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A12 compound treatment 0.41 -0.00431 -0.14 0.434 0.0185 0.55 0.2925 0.5172 1433969 TimTec1_000716 Cc1cccc(c1)C(=O)NN(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A13 compound treatment 0.41 -0.00431 -0.14 0.434 0.0185 0.55 0.2925 0.5172 1483255 TimTec1_000717 CC(=O)Nc1cccc2ncccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A14 compound treatment 0.371 -0.0433 -1.36 0.406 -0.00947 -0.28 -1.1613 -0.8352 1158197 TimTec1_000718 COc1ccc(cc1)C(=O)Nc2ccc(C)c(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A15 compound treatment 0.386 -0.0283 -0.89 0.412 -0.00347 -0.1 -0.702 -0.7835 3211036 TimTec1_000719 C/C(=N\n1cnnc1)/CC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A16 compound treatment 0.382 -0.0323 -1.02 0.398 -0.0175 -0.52 -1.0843 -0.951 1075886 TimTec1_000720 FC(F)(F)c1cccc(NS(=O)(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A17 compound treatment 0.405 -0.00931 -0.29 0.439 0.0235 0.7 0.2861 0.3784 1922764 TimTec1_000721 OC(=O)c1cc(/N=C/c2ccccc2O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A18 compound treatment 0.421 0.00669 0.21 0.435 0.0195 0.58 0.5581 0.9062 1340286 TimTec1_000722 COc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A19 compound treatment 0.442 0.0277 0.87 0.431 0.0155 0.46 0.9412 0.9556 1715796 TimTec1_000723 CCOC(=O)c1c(CSc2nc(C)ccc2C#N)oc3ccc(OC(=O)C)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A20 compound treatment 0.417 0.00269 0.08 1.159 0.744 22.03 15.6389 0.7098 3211037 TimTec1_000724 COC(=O)C1=C(N)C(=c2s/c(=C/c3ccccc3)/c(=O)n2C1c4ccccc4)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A21 compound treatment 0.387 -0.0273 -0.86 0.478 0.0625 1.85 0.7031 0.3443 3081301 TimTec1_000725 NC1=C(C#N)[C@@H]([C@H](S1)C(=O)c2ccccc2)c3ccc(Br)c(F)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A22 compound treatment 0.399 -0.0153 -0.48 0.418 0.00253 0.08 -0.2873 -0.5897 1561863 TimTec1_000726 O=C(Nc1nc(nc2CCCC(=O)c12)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A23 mock treatment 0.386 -0.0283 -0.89 0.332 -0.0835 -2.47 -2.3782 -0.9048 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 A24 mock treatment 0.408 -0.00631 -0.2 0.416 5.33E-4 0.02 -0.1291 -0.6487 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B01 compound treatment 0.427 0.0127 0.4 0.441 0.0255 0.76 0.8172 0.9553 3081303 TimTec1_000727 Cc1cccc[n+]1C2[C@H](C(=C(S)N[C@]2(C)O)C#N)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B02 compound treatment 0.387 -0.0273 -0.86 0.398 -0.0175 -0.52 -0.9731 -0.9706 3211038 TimTec1_000728 CC1C(CC(C(=O)O)C1(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B03 compound treatment 0.418 0.00369 0.12 0.399 -0.0165 -0.49 -0.2629 -0.5242 3211039 TimTec1_000729 CC1=COC=C(/C=N/Cc2ccccc2)N1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B04 compound treatment 0.514 0.0997 3.13 0.467 0.0515 1.53 3.2963 0.9454 3081306 TimTec1_000730 O=C(CSC#N)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B05 compound treatment 0.456 0.0417 1.31 0.407 -0.00847 -0.25 0.7496 0.5616 1225786 TimTec1_000731 COc1cccc2c1N(C3CC(C)CCC3C2(C)C)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B06 compound treatment 0.4 -0.0143 -0.45 0.375 -0.0405 -1.2 -1.166 -0.9104 1605606 TimTec1_000732 c1ccc(nc1)c2ccc3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B07 compound treatment 0.429 0.0147 0.46 0.38 -0.0355 -1.05 -0.4165 -0.3628 1478193 TimTec1_000733 CCC(=O)Nc1ncc2C(=O)CC(C)(C)Cc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B08 compound treatment 0.436 0.0217 0.68 0.4 -0.0155 -0.46 0.1582 0.1926 3081309 TimTec1_000734 COc1ccc(cc1)/C(=N/O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B09 compound treatment 0.436 0.0217 0.68 0.385 -0.0305 -0.9 -0.1561 -0.1379 3211040 TimTec1_000735 CCOC(=O)Cc1n[nH]c(CC(=O)OCC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B10 compound treatment 0.444 0.0297 0.93 0.417 0.00153 0.05 0.6923 0.7406 3081311 TimTec1_000736 Nc1ccc2nn(nc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B11 compound treatment 0.391 -0.0233 -0.73 0.371 -0.0445 -1.32 -1.4499 -0.9617 1090166 TimTec1_000737 CN(C)c1c(C)n(C)n(c2ccccc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B12 compound treatment 0.419 0.00469 0.15 0.377 -0.0385 -1.14 -0.7017 -0.6105 3081313 TimTec1_000738 CCOc1ccc(cc1)C(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B13 compound treatment 0.444 0.0297 0.93 0.366 -0.0495 -1.47 -0.3763 -0.2165 3211041 TimTec1_000739 COc1cccc(/C=N/n2cnnc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B14 compound treatment 0.412 -0.00231 -0.07 0.381 -0.0345 -1.02 -0.7735 -0.7554 3211042 TimTec1_000740 C[N+]1(C/C=C\2/COCO2)CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B15 compound treatment 0.389 -0.0253 -0.8 0.361 -0.0545 -1.61 -1.7039 -0.9469 1498488 TimTec1_000741 COc1ccc(CC(=O)NC2CCCCC2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B16 compound treatment 0.579 0.165 5.18 0.59 0.175 5.17 7.3187 1.0 3211043 TimTec1_000742 OC(=O)c1cc(/C=N/n2cnnc2)c3OCOCc3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B17 compound treatment 0.418 0.00369 0.12 0.426 0.0105 0.31 0.3028 0.9093 3211044 TimTec1_000743 Cc1nc(cs1)C2C(Oc3c(O)c(O)ccc3C2=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B18 compound treatment 0.468 0.0537 1.69 0.433 0.0175 0.52 1.5612 0.8838 3081317 TimTec1_000744 OC(CN1CC2CC(C1)c3cccc(=O)n3C2)/C=N/n4cnnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B19 compound treatment 0.416 0.00169 0.05 0.387 -0.0285 -0.84 -0.5588 -0.6612 3081354 TimTec1_000745 C(/C=C\c1ccccc1)N2CCN(Cn3nnc4ccccc34)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B20 compound treatment 0.377 -0.0373 -1.17 0.329 -0.0865 -2.56 -2.6412 -0.9373 3081321 TimTec1_000746 CC(CN1CC2CC(C1)c3cccc(=O)n3C2)SC(=N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B21 compound treatment 0.388 -0.0263 -0.83 0.375 -0.0405 -1.2 -1.4328 -0.9836 1281576 TimTec1_000747 CN(C1CCCCC1)S(=O)(=O)c2ccc(NC(=O)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B22 compound treatment 0.411 -0.00331 -0.1 0.415 -4.67E-4 -0.01 -0.0833 -0.7941 1293326 TimTec1_000748 CC1(C)CC(=O)C2=C(C1)Nc3ccc4ccccc4c3C2c5cccnc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B23 mock treatment 0.353 -0.0613 -1.93 0.425 0.00953 0.28 -1.1634 -0.5971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 B24 mock treatment 0.407 -0.00731 -0.23 0.415 -4.67E-4 -0.01 -0.1723 -0.7483 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C01 compound treatment 0.402 -0.0123 -0.39 0.432 0.0165 0.49 0.0728 0.1166 3081323 TimTec1_000749 CC1CCN(CC1)C(=O)c2cc(Cl)ccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C02 compound treatment 0.402 -0.0123 -0.39 0.413 -0.00247 -0.07 -0.3253 -0.8261 1165155 TimTec1_000750 CCN(CC)C(=O)c1cnn(c1NC(=O)c2ccco2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C03 compound treatment 0.569 0.155 4.86 0.458 0.0425 1.26 4.3306 0.8619 3081325 TimTec1_000751 CCN(CC)c1ccc(/C=N/O)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C04 compound treatment 0.533 0.119 3.73 0.41 -0.00547 -0.16 2.5245 0.6758 1058529 TimTec1_000752 OC(=O)c1ccccc1N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C05 compound treatment 0.512 0.0977 3.07 0.405 -0.0105 -0.31 1.9528 0.6325 1643767 TimTec1_000753 CSc1nc2ccccc2n1CC(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C06 compound treatment 0.531 0.117 3.67 0.387 -0.0285 -0.84 1.9981 0.5307 1016928 TimTec1_000754 CC(C)CNC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C07 compound treatment 0.537 0.123 3.86 0.399 -0.0165 -0.49 2.3829 0.6128 3211045 TimTec1_000755 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C08 compound treatment 0.487 0.0727 2.29 0.386 -0.0295 -0.87 0.9988 0.4082 1586419 TimTec1_000756 CC1CC2OC(C)(C)OC2C(OC(=O)c3ccccc3)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C09 compound treatment 0.545 0.131 4.11 0.394 -0.0215 -0.64 2.456 0.5906 1233022 TimTec1_000757 CC(C)CCOc1ccccc1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C10 compound treatment 0.612 0.198 6.22 0.42 0.00453 0.13 4.4905 0.7222 3081330 TimTec1_000758 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C11 compound treatment 0.592 0.178 5.59 0.419 0.00353 0.1 4.0248 0.7202 3211046 TimTec1_000759 FC(F)(F)c1cc(no1)c2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C12 compound treatment 0.557 0.143 4.49 0.396 -0.0195 -0.58 2.7647 0.6112 3081332 TimTec1_000760 Cc1cccc(c1)C(=O)N(CC#N)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C13 compound treatment 0.532 0.118 3.7 0.399 -0.0165 -0.49 2.2717 0.6086 3211047 TimTec1_000761 O=C(NN1C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C14 compound treatment 0.506 0.0917 2.88 0.383 -0.0325 -0.96 1.3584 0.4469 1022870 TimTec1_000762 O=C(NCc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C15 compound treatment 0.551 0.137 4.3 0.408 -0.00747 -0.22 2.8828 0.6698 3211048 TimTec1_000763 C(=N/c1cccnc1)\c2c[nH]c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C16 compound treatment 0.529 0.115 3.61 0.397 -0.0185 -0.55 2.1631 0.593 1045873 TimTec1_000764 O=S(=O)(NCCc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C17 compound treatment 0.508 0.0937 2.95 0.398 -0.0175 -0.52 1.7172 0.5741 3211049 TimTec1_000765 Cc1c(/N=C/c2cccc(C)c2)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C18 compound treatment 0.505 0.0907 2.85 0.427 0.0115 0.34 2.2581 0.7862 1634239 TimTec1_000766 O=C(CCCC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C19 compound treatment 0.597 0.183 5.74 0.472 0.0565 1.68 5.2465 0.8768 3081336 TimTec1_000767 O=C(CSc1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C20 compound treatment 0.581 0.167 5.24 0.457 0.0415 1.23 4.5765 0.85 1173423 TimTec1_000768 CCOC(=O)C1=C(C(=O)c2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C21 compound treatment 0.565 0.151 4.74 0.389 -0.0265 -0.78 2.7959 0.5822 1130405 TimTec1_000769 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32CCN(Cc4ccccc4)CC3)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C22 compound treatment 0.551 0.137 4.3 0.401 -0.0145 -0.43 2.7361 0.6334 3211050 TimTec1_000770 Cc1cc(c2c(n1)sc3c(=O)[nH]c(C)nc32)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C23 mock treatment 0.611 0.197 6.18 0.39 -0.0255 -0.75 3.8396 0.6163 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 C24 mock treatment 0.407 -0.00731 -0.23 0.412 -0.00347 -0.1 -0.2351 -0.9341 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D01 compound treatment 0.401 -0.0133 -0.42 0.423 0.00753 0.22 -0.138 -0.2911 1332544 TimTec1_000771 CCCN1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D02 compound treatment 0.418 0.00369 0.12 0.427 0.0115 0.34 0.3237 0.897 1267101 TimTec1_000772 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D03 compound treatment 0.539 0.125 3.92 0.397 -0.0185 -0.55 2.3855 0.6026 3211051 TimTec1_000773 C(/N=C/C1=CSC=CN1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D04 compound treatment 0.522 0.108 3.39 0.39 -0.0255 -0.75 1.8608 0.5364 1527522 TimTec1_000774 S=c1n(CN2CCCCC2)nc(c3ccccc3)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D05 compound treatment 0.542 0.128 4.02 0.384 -0.0315 -0.93 2.1798 0.5288 1323715 TimTec1_000775 CC1C=C(C)C2C(C)C1COC2c3ccc(OC(=O)NC4CCCCC4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D06 compound treatment 0.574 0.16 5.02 0.4 -0.0155 -0.46 3.2265 0.6399 1445377 TimTec1_000776 CC12CCC(C(=O)CO)C2(C)CCC3(C)C4(C)CCC(=O)C=C4CCC13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D07 compound treatment 0.602 0.188 5.9 0.4 -0.0155 -0.46 3.8491 0.6502 3209076 TimTec1_000777 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D08 compound treatment 0.588 0.174 5.46 0.436 0.0205 0.61 4.2921 0.781 1519326 TimTec1_000778 CCOC(=O)C1=C(CC2=C1CCCC2)NC(=S)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D09 compound treatment 0.524 0.11 3.45 0.382 -0.0335 -0.99 1.7377 0.4842 1679838 TimTec1_000779 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D10 compound treatment 0.592 0.178 5.59 0.411 -0.00447 -0.13 3.8572 0.6902 1574797 TimTec1_000780 CCCC(=O)Nc1ccc(N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D11 compound treatment 0.59 0.176 5.52 0.424 0.00853 0.25 4.0851 0.7387 3209077 TimTec1_000781 CCOC(=O)c1c(NC(=O)OC)sc2CCCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D12 compound treatment 0.609 0.195 6.12 0.405 -0.0105 -0.31 4.1095 0.6704 1560316 TimTec1_000782 CCOC(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D13 compound treatment 0.592 0.178 5.59 0.411 -0.00447 -0.13 3.8572 0.6902 3081341 TimTec1_000783 Nc1nc(nc(n1)C(F)(F)F)N(Cc2ccccc2)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D14 compound treatment 0.544 0.13 4.08 0.389 -0.0265 -0.78 2.329 0.5608 3209078 TimTec1_000784 Cc1ccoc1CC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D15 compound treatment 0.574 0.16 5.02 0.378 -0.0375 -1.11 2.7656 0.5378 1672714 TimTec1_000785 COc1ccccc1CC(=O)N(CC=C)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D16 compound treatment 0.545 0.131 4.11 0.385 -0.0305 -0.9 2.2674 0.5389 3209079 TimTec1_000786 C1COc2cccc(/C=N\n3cnnc3)c2OC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D17 compound treatment 0.542 0.128 4.02 0.376 -0.0395 -1.17 2.0122 0.4812 3209080 TimTec1_000787 CCC(O)c1ccc2c(=O)c(coc2c1)c3ccccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D18 compound treatment 0.573 0.159 4.99 0.421 0.00553 0.16 3.6443 0.7299 3209081 TimTec1_000788 Cc1c(/N=C/C(O)CN2CC3CC(C2)c4cccc(=O)n4C3)c(=O)n(c5ccccc5)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D19 compound treatment 0.6 0.186 5.84 0.425 0.00953 0.28 4.3284 0.7405 3081342 TimTec1_000789 CC(C)Cc1ccc(/C=C/C(=O)N2CCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D20 compound treatment 1.149 0.735 23.1 1.115 0.7 20.73 30.9922 0.9985 3081343 TimTec1_000790 CC(=O)N1CCCCC1c2cccnc2.[O-][N+](=O)O[Ag] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D21 compound treatment 0.554 0.14 4.39 0.438 0.0225 0.67 3.578 0.8053 1588159 TimTec1_000791 CS(=O)(=O)Nc1ccc2CCc3cccc1c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D22 compound treatment 0.544 0.13 4.08 0.402 -0.0135 -0.4 2.6014 0.6349 1287290 TimTec1_000792 COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D23 mock treatment 0.436 0.0217 0.68 0.391 -0.0245 -0.72 -0.0303 -0.0305 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 D24 mock treatment 0.418 0.00369 0.12 0.42 0.00453 0.13 0.1771 0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E01 compound treatment 0.391 -0.0233 -0.73 0.392 -0.0235 -0.7 -1.0099 -0.9997 1535367 TimTec1_000793 CCC(C)c1ccc(NC(=O)c2ccc(cc2)N(CC)CC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E02 compound treatment 0.401 -0.0133 -0.42 0.403 -0.0125 -0.37 -0.5571 -0.9981 1215550 TimTec1_000794 CC(C)(C)C(=O)Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E03 compound treatment 0.529 0.115 3.61 0.427 0.0115 0.34 2.7917 0.7707 1689344 TimTec1_000795 Clc1ccc(cc1)C(=O)COC(=O)c2cccc(NC(=O)Cc3ccccc3)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E04 compound treatment 0.572 0.158 4.96 0.382 -0.0335 -0.99 2.8049 0.5547 3209082 TimTec1_000796 O(c1ccccc1)c2ccc(/C=N/c3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E05 compound treatment 0.551 0.137 4.3 0.392 -0.0235 -0.7 2.5475 0.5851 3081345 TimTec1_000797 NC(CSCc1oc(cc1C(=O)O)c2ccccc2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E06 compound treatment 0.537 0.123 3.86 0.387 -0.0285 -0.84 2.1315 0.5397 1921518 TimTec1_000798 COc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E07 compound treatment 0.538 0.124 3.89 0.416 5.33E-4 0.02 2.7613 0.71 1601233 TimTec1_000799 OC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E08 compound treatment 0.573 0.159 4.99 0.51 0.0945 2.8 5.5091 0.9627 3081347 TimTec1_000800 CCOC1(C)OC2CCC(CC)OC2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E09 compound treatment 0.594 0.18 5.65 0.515 0.0995 2.95 6.0808 0.9541 3082473 TimTec1_000801 CCc1ccc(cc1)C(=O)CSc2nnc(c3cccc(OC)c3)n2CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E10 compound treatment 0.508 0.0937 2.95 0.583 0.168 4.96 5.5934 0.969 3082474 TimTec1_000802 COc1cc(/N=C/c2cc3cccc(C)c3nc2Cl)c(OC)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E11 compound treatment 0.426 0.0117 0.37 0.557 0.142 4.19 3.2255 0.7662 3209083 TimTec1_000803 CCCC[n+]1cc(nc(n1)N2CCCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E12 compound treatment 0.534 0.12 3.76 0.538 0.123 3.63 5.2286 0.9998 3209084 TimTec1_000804 O=C(Cc1ccccc1)NC2CCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E13 compound treatment 0.53 0.116 3.64 0.463 0.0475 1.41 3.5682 0.9147 1914322 TimTec1_000805 Clc1ccc(/N=C/c2c[nH]c3ccccc23)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E14 compound treatment 0.5 0.0857 2.69 0.43 0.0145 0.43 2.2098 0.8098 1916639 TimTec1_000806 O=C(c1ccccc1)n2cnc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E15 compound treatment 0.581 0.167 5.24 0.458 0.0425 1.26 4.5974 0.8528 1607222 TimTec1_000807 COc1ccc(cc1)C2(Cc3nc4ccccc4[nH]3)C(=O)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E16 compound treatment 0.605 0.191 6.0 0.47 0.0545 1.62 5.3825 0.8667 1418431 TimTec1_000808 O=S(=O)(NC(c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E17 compound treatment 0.606 0.192 6.03 0.397 -0.0185 -0.55 3.8751 0.6403 3082475 TimTec1_000809 Fc1ccc(/C=N/c2ccc(I)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E18 compound treatment 0.578 0.164 5.15 0.411 -0.00447 -0.13 3.5459 0.6887 1450437 TimTec1_000810 COC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc(c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E19 compound treatment 0.565 0.151 4.74 0.415 -4.67E-4 -0.01 3.3407 0.705 1573675 TimTec1_000811 O=C(C1c2ccccc2Oc3ccccc13)N4CCCc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E20 compound treatment 0.591 0.177 5.56 0.412 -0.00347 -0.1 3.8559 0.6939 1156098 TimTec1_000812 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)C5=C(O1)C(=O)CCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E21 compound treatment 0.712 0.298 9.36 0.503 0.0875 2.59 8.4529 0.8703 1774639 TimTec1_000813 [O-][n+]1onc2c3cc([nH]c3ccc12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E22 compound treatment 0.596 0.182 5.71 0.44 0.0245 0.73 4.5538 0.7907 1601319 TimTec1_000814 CCOc1ccc(cc1)C2(C)CC(C)(C)Nc3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E23 mock treatment 0.433 0.0187 0.59 0.395 -0.0205 -0.61 -0.0132 -0.0157 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 E24 mock treatment 0.405 -0.00931 -0.29 0.417 0.00153 0.05 -0.1748 -0.5903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F01 compound treatment 0.388 -0.0263 -0.83 0.453 0.0375 1.11 0.2015 0.1454 3209085 TimTec1_000815 Oc1n[nH]c(c1C(C(C#N)C#N)c2ccsc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F02 compound treatment 0.457 0.0427 1.34 0.412 -0.00347 -0.1 0.8766 0.6511 1492048 TimTec1_000816 C(C1NCC=N1)c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F03 compound treatment 0.368 -0.0463 -1.46 0.278 -0.137 -4.07 -3.9099 -0.9039 3209086 TimTec1_000817 O=c/1[nH]c2ccccc2[nH]\c1=N/C(=S)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F04 compound treatment 0.508 0.0937 2.95 0.39 -0.0255 -0.75 1.5496 0.5095 1173360 TimTec1_000818 COc1ccc(cc1OC)C(=O)NC(CO)(CO)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F05 compound treatment 0.521 0.107 3.35 0.434 0.0185 0.55 2.7605 0.8121 1399424 TimTec1_000819 C1C2C(Oc3ccccc3C2Oc4ccccc14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F06 compound treatment 0.555 0.141 4.42 0.439 0.0235 0.7 3.6212 0.8086 1110045 TimTec1_000820 CN(C1CCCCC1)S(=O)(=O)c2ccc(N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F07 compound treatment 0.591 0.177 5.56 0.483 0.0675 2.0 5.3436 0.9049 3209087 TimTec1_000821 CC(C)C1=C2CCCCC2NC(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F08 compound treatment 0.544 0.13 4.08 0.451 0.0355 1.05 3.6281 0.8614 1005088 TimTec1_000822 COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F09 compound treatment 0.491 0.0767 2.41 0.459 0.0435 1.29 2.6173 0.957 1428753 TimTec1_000823 CC(=O)Nc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F10 compound treatment 0.469 0.0547 1.72 0.533 0.118 3.48 3.6787 0.9471 1121309 TimTec1_000824 CCCC(=O)Nc1cccc(N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F11 compound treatment 0.455 0.0407 1.28 0.544 0.129 3.81 3.5979 0.8955 1703558 TimTec1_000825 NC1=C(C#N)C2=CCCCC2C3(C(=O)N(Cc4ccccc4)c5ccccc53)C1(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F12 compound treatment 0.58 0.166 5.21 0.517 0.102 3.01 5.8114 0.9659 1304433 TimTec1_000826 CN(C)CC#CC1(O)CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F13 compound treatment 0.51 0.0957 3.01 0.425 0.00953 0.28 2.3274 0.7701 3209088 TimTec1_000827 CN(C)c1ccc(/C=C/2\CSC(=S)NC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F14 compound treatment 0.409 -0.00531 -0.17 0.51 0.0945 2.8 1.8627 0.6638 3082476 TimTec1_000828 CC/1(OCO\C1=C/C[N+](C)(C)C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F15 compound treatment 0.542 0.128 4.02 0.505 0.0895 2.65 4.7151 0.9798 3209089 TimTec1_000829 COc1ccccc1CC(=O)N2CCCC(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F16 compound treatment 0.596 0.182 5.71 0.47 0.0545 1.62 5.1823 0.8729 3082477 TimTec1_000830 C(=N/n1cnnc1)\c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F17 compound treatment 0.599 0.185 5.81 0.452 0.0365 1.08 4.8719 0.8247 1177709 TimTec1_000831 CCc1cc(c2n[nH]cc2c3nc(C)cs3)c(O)cc1OC(C)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F18 compound treatment 0.591 0.177 5.56 0.511 0.0955 2.83 5.9302 0.9511 3082478 TimTec1_000832 Cc1c(/N=C\C2CCCN3CCCCC23)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F19 compound treatment 0.547 0.133 4.17 0.417 0.00153 0.05 2.9824 0.7148 3209090 TimTec1_000833 COc1cc(Br)cc(CNc2cc(C)on2)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F20 compound treatment 0.566 0.152 4.77 0.43 0.0145 0.43 3.6772 0.7678 3209091 TimTec1_000834 O=C(/C=C/c1ccccc1)N2CCCCC2c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F21 compound treatment 0.528 0.114 3.57 0.431 0.0155 0.46 2.8533 0.7916 3082479 TimTec1_000835 COc1ccc(NC(=S)SC)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F22 compound treatment 0.553 0.139 4.36 0.41 -0.00547 -0.16 2.9691 0.6804 1375719 TimTec1_000836 CCCC1=C(C(NC(=O)N1)c2cc(Br)c(O)c(OC)c2)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F23 mock treatment 0.449 0.0347 1.09 0.4 -0.0155 -0.46 0.4473 0.378 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 F24 mock treatment 0.407 -0.00731 -0.23 0.425 0.00953 0.28 0.0373 0.1024 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G01 compound treatment 0.399 -0.0153 -0.48 0.427 0.0115 0.34 -0.0987 -0.1672 1641121 TimTec1_000837 CCC(C)NC(=O)c1ccc(cc1)N(CC)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G02 compound treatment 0.462 0.0477 1.5 0.433 0.0175 0.52 1.4278 0.8996 1504788 TimTec1_000838 Clc1cccc(c1)c2nc3n(ncc3c(=O)o2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G03 compound treatment 0.501 0.0867 2.73 0.384 -0.0315 -0.93 1.2682 0.4402 1392995 TimTec1_000839 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G04 compound treatment 0.564 0.15 4.71 0.405 -0.0105 -0.31 3.1089 0.6591 1261047 TimTec1_000840 O=C1NC(C(N1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G05 compound treatment 0.519 0.105 3.29 0.446 0.0305 0.9 2.9675 0.8692 3082481 TimTec1_000841 Sc1nccn1CCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G06 compound treatment 0.562 0.148 4.64 0.525 0.11 3.25 5.5788 0.9847 1044409 TimTec1_000842 O=C(Nc1ccccc1)C(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G07 compound treatment 0.551 0.137 4.3 0.512 0.0965 2.86 5.0618 0.9804 1679314 TimTec1_000843 NC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G08 compound treatment 0.564 0.15 4.71 0.613 0.198 5.85 7.4671 0.9942 3082485 TimTec1_000844 Clc1ccc(/N=C/c2ccc(Br)o2)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G09 compound treatment 0.533 0.119 3.73 0.52 0.105 3.1 4.8292 0.9957 1181154 TimTec1_000845 O=c1n(c(SCc2ccc3OCOc3c2)nc4ccccc14)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G10 compound treatment 0.466 0.0517 1.63 0.455 0.0395 1.17 1.9777 0.9871 3082487 TimTec1_000846 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G11 compound treatment 0.496 0.0817 2.57 0.592 0.177 5.23 5.5152 0.9464 1384410 TimTec1_000847 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(nc(nn12)N3CCOCC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G12 compound treatment 0.515 0.101 3.17 0.499 0.0835 2.48 3.989 0.9926 1271027 TimTec1_000848 COc1ccc(CC(=O)NCC(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G13 compound treatment 0.442 0.0277 0.87 0.49 0.0745 2.21 2.1774 0.9172 3209212 TimTec1_000849 Cc1ccc(/N=C/c2c[nH]c3ccccc23)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G14 compound treatment 0.389 -0.0253 -0.8 0.549 0.134 3.96 2.2352 0.5538 1290233 TimTec1_000850 Brc1ccc(cc1)S(=O)(=O)N2CCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G15 compound treatment 0.552 0.138 4.33 0.574 0.159 4.7 6.3831 0.9992 3209213 TimTec1_000851 CCCNc1nc(Cl)nc(NCCC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G16 compound treatment 0.616 0.202 6.34 0.539 0.124 3.66 7.0728 0.9659 1275135 TimTec1_000852 O=S(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G17 compound treatment 0.618 0.204 6.4 0.487 0.0715 2.12 6.0277 0.8935 3209214 TimTec1_000853 NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G18 compound treatment 0.586 0.172 5.4 0.482 0.0665 1.97 5.2114 0.9068 3082492 TimTec1_000854 COc1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G19 compound treatment 0.563 0.149 4.68 0.495 0.0795 2.36 4.9724 0.9497 3209215 TimTec1_000855 Cc1cc(nn1CC(=O)Nc2sc(C)c(C)c2C(=O)N)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G20 compound treatment 0.527 0.113 3.54 0.398 -0.0175 -0.52 2.1396 0.5975 1545537 TimTec1_000856 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)COc4ccc(Br)cc4)cc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G21 compound treatment 0.514 0.0997 3.13 0.382 -0.0335 -0.99 1.5153 0.4609 1150900 TimTec1_000857 On1c(nc-2c1CCc3nonc32)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G22 compound treatment 0.53 0.116 3.64 0.374 -0.0415 -1.23 1.7035 0.4436 3082530 TimTec1_000858 Cc1cc(C)c(C#N)c(SCc2cc(O)[nH]n2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G23 mock treatment 0.477 0.0627 1.97 0.398 -0.0175 -0.52 1.0279 0.5044 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 G24 mock treatment 0.386 -0.0283 -0.89 0.413 -0.00247 -0.07 -0.6811 -0.7626 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H01 compound treatment 0.394 -0.0203 -0.64 0.43 0.0145 0.43 -0.147 -0.1909 1198410 TimTec1_000859 Cc1[nH]nc(O)c1C2(C(C#N)C#N)C3CC4CC(C3)CC2C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H02 compound treatment 0.429 0.0147 0.46 0.395 -0.0205 -0.61 -0.1022 -0.134 3209216 TimTec1_000860 Cc1ccc(OCc2nnc(S)n2c3ccccc3)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H03 compound treatment 0.482 0.0677 2.13 0.406 -0.00947 -0.28 1.3067 0.6087 1739416 TimTec1_000861 CCN(CC)c1[nH]nnc1c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H04 compound treatment 0.575 0.161 5.05 0.41 -0.00547 -0.16 3.4583 0.6841 3082533 TimTec1_000862 CCOC(=O)c1ccc(SC)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H05 compound treatment 0.521 0.107 3.35 0.498 0.0825 2.45 4.1015 0.9879 1302286 TimTec1_000863 O=C(C1CC2CCC1C2)N3CCN(CC3)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H06 compound treatment 0.553 0.139 4.36 0.528 0.113 3.33 5.4415 0.9912 1696584 TimTec1_000864 COc1ccc(cc1)C2OC(=O)c3ccccc3S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H07 compound treatment 0.506 0.0917 2.88 0.457 0.0415 1.23 2.9089 0.9279 1246999 TimTec1_000865 CC1C=C(C)C2C(C)C1(COC(=O)NC3CCCCC3)COC42CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H08 compound treatment 0.464 0.0497 1.56 0.565 0.15 4.43 4.238 0.902 3209217 TimTec1_000866 Sc1nnc(COc2ccccc2)n1CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H09 compound treatment 0.555 0.141 4.42 0.545 0.13 3.84 5.8422 0.9975 1579810 TimTec1_000867 Clc1ccc(cc1)C(=O)N2CCCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H10 compound treatment 0.555 0.141 4.42 0.574 0.159 4.7 6.4498 0.9996 1114790 TimTec1_000868 Cc1ccc(OCC(=O)O)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H11 compound treatment 0.587 0.173 5.43 0.618 0.203 6.0 8.0832 0.9988 1201078 TimTec1_000869 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H12 compound treatment 0.476 0.0617 1.94 0.587 0.172 5.08 4.9657 0.9128 1549339 TimTec1_000870 CC(O)(C#CCN1CCOCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H13 compound treatment 0.603 0.189 5.93 0.646 0.231 6.83 9.0257 0.9975 3209218 TimTec1_000871 Clc1ccccc1/C=C/2\SC3NC(=NN3C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H14 compound treatment 0.441 0.0267 0.84 0.594 0.179 5.29 4.3342 0.8092 3082538 TimTec1_000872 CC/1(C)OC(=O)N(\C1=C/C[N+](C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H15 compound treatment 0.534 0.12 3.76 0.469 0.0535 1.59 3.7829 0.9262 1740713 TimTec1_000873 COc1ccccc1CC(=O)Nc2cccc(NC(=O)C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H16 compound treatment 0.495 0.0807 2.54 0.589 0.174 5.14 5.4301 0.947 1298167 TimTec1_000874 CC(=C1C(=O)NC(=O)NC1=O)c2ccc(N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H17 compound treatment 0.595 0.181 5.68 0.493 0.0775 2.3 5.642 0.9206 3209219 TimTec1_000875 Fc1ccc(cc1)S(=O)(=O)N(C2CCS(=O)(=O)C2)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H18 compound treatment 0.541 0.127 3.98 0.524 0.109 3.22 5.0909 0.9944 1208196 TimTec1_000876 O=C(N1CC2CC(C1)c3cccc(=O)n3C2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H19 compound treatment 0.552 0.138 4.33 0.523 0.108 3.19 5.3145 0.9886 3082542 TimTec1_000877 CC(=O)NCCOc1c(C)cccc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H20 compound treatment 0.533 0.119 3.73 0.437 0.0215 0.64 3.0902 0.8162 3082544 TimTec1_000878 COc1ccc(OCCSc2nc3ccccc3n2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H21 compound treatment 0.548 0.134 4.2 0.392 -0.0235 -0.7 2.4808 0.5822 1488809 TimTec1_000879 CC1CCCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H22 compound treatment 0.542 0.128 4.02 0.385 -0.0305 -0.9 2.2007 0.5348 1442845 TimTec1_000880 C(Sc1nc(c(o1)c2ccccc2)c3ccccc3)C4COc5ccccc5O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H23 mock treatment 0.473 0.0587 1.85 0.389 -0.0265 -0.78 0.7504 0.3742 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 H24 mock treatment 0.402 -0.0123 -0.39 0.428 0.0125 0.37 -0.011 -0.0206 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I01 compound treatment 0.386 -0.0283 -0.89 0.406 -0.00947 -0.28 -0.8277 -0.8869 1191196 TimTec1_000881 Cc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I02 compound treatment 0.423 0.00869 0.27 0.404 -0.0115 -0.34 -0.047 -0.1078 3082580 TimTec1_000882 O=c1oc(nc2sc3CCCCCc3c12)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I03 compound treatment 0.479 0.0647 2.03 0.404 -0.0115 -0.34 1.1981 0.5809 1319708 TimTec1_000883 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)no1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I04 compound treatment 0.54 0.126 3.95 0.392 -0.0235 -0.7 2.3029 0.5739 1427613 TimTec1_000884 Nc1ccc(cc1)C(C2NC(=O)c3ccccc23)c4ccc(N)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I05 compound treatment 0.535 0.121 3.79 0.439 0.0235 0.7 3.1765 0.8233 1467312 TimTec1_000885 Cc1ccccc1NC(=O)CCC(=O)OC2CCC(CC2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I06 compound treatment 0.471 0.0567 1.78 0.47 0.0545 1.62 2.4031 0.9988 1018245 TimTec1_000886 CCN(CC)C(=O)C(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I07 compound treatment 0.441 0.0267 0.84 0.497 0.0815 2.42 2.3018 0.9 1540337 TimTec1_000887 O=C(C1C(C#N)C2CCC1C2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I08 compound treatment 0.492 0.0777 2.44 0.556 0.141 4.16 4.672 0.9677 3082583 TimTec1_000888 OC(=O)c1ccccc1/N=C/c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I09 compound treatment 0.571 0.157 4.93 0.582 0.167 4.93 6.9732 1.0 3209220 TimTec1_000889 Cn1c(SCc2ccc3OCOc3c2)nnc1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I10 compound treatment 0.547 0.133 4.17 0.588 0.173 5.11 6.5653 0.9949 3082586 TimTec1_000890 COC(=O)Nc1ccc(/N=C/c2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I11 compound treatment 0.629 0.215 6.75 0.651 0.236 6.98 9.7085 0.9999 3209221 TimTec1_000891 COc1nncc(n1)c2cnnc(SC)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I12 compound treatment 0.511 0.0967 3.04 0.527 0.112 3.3 4.4868 0.9991 1639601 TimTec1_000892 COc1ccc(CC(=O)NN2CCN(CC2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I13 compound treatment 0.533 0.119 3.73 0.494 0.0785 2.33 4.2845 0.9742 3209222 TimTec1_000893 C1CCC(=Nn2cnnc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I14 compound treatment 0.573 0.159 4.99 0.487 0.0715 2.12 5.0272 0.9273 1554764 TimTec1_000894 CN1CCN(CC1)S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I15 compound treatment 0.593 0.179 5.62 0.531 0.116 3.42 6.3938 0.9718 3209223 TimTec1_000895 CCOc1ccc2nc(/N=C/c3ccccc3O)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I16 compound treatment 0.492 0.0777 2.44 0.441 0.0255 0.76 2.2624 0.8846 1340130 TimTec1_000896 CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I17 compound treatment 0.434 0.0197 0.62 0.503 0.0875 2.59 2.2719 0.852 1912630 TimTec1_000897 CCOC(=O)c1ccc(/N=C/c2ccccc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I18 compound treatment 0.43 0.0157 0.49 0.537 0.122 3.6 2.8954 0.7965 1423694 TimTec1_000898 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I19 compound treatment 0.552 0.138 4.33 0.584 0.169 4.99 6.5927 0.9975 3082591 TimTec1_000899 Nc1c(C#N)sc2nc(ccc12)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I20 compound treatment 0.566 0.152 4.77 0.503 0.0875 2.59 5.2068 0.959 3209224 TimTec1_000900 CSc1ccc(/N=C/N2C(=O)c3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I21 compound treatment 0.549 0.135 4.24 0.405 -0.0105 -0.31 2.7754 0.6536 3082593 TimTec1_000901 Oc1[nH]c(=S)[nH]c(=O)c1CN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I22 compound treatment 0.591 0.177 5.56 0.449 0.0335 0.99 4.6312 0.8206 3209346 TimTec1_000902 O=C([C@H]1[C@H](c2cccs2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I23 mock treatment 0.485 0.0707 2.22 0.387 -0.0285 -0.84 0.9753 0.4102 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 I24 mock treatment 0.387 -0.0273 -0.86 0.413 -0.00247 -0.07 -0.6588 -0.7645 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J01 compound treatment 0.443 0.0287 0.9 0.462 0.0465 1.38 1.6129 0.9789 1633418 TimTec1_000903 Oc1cc(O)c2sc3nc(ccc3c2n1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J02 compound treatment 0.452 0.0377 1.19 0.422 0.00653 0.19 0.9749 0.8118 1297117 TimTec1_000904 Nc1ccc(cc1)c2cc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J03 compound treatment 0.531 0.117 3.67 0.401 -0.0145 -0.43 2.2914 0.6203 3082596 TimTec1_000905 Sc1n[nH]nc1c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J04 compound treatment 0.525 0.111 3.48 0.4 -0.0155 -0.46 2.1371 0.6087 3209347 TimTec1_000906 CCOC(=O)c1ccc(cc1)S(=O)(=O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J05 compound treatment 0.557 0.143 4.49 0.438 0.0225 0.67 3.6447 0.8035 1207815 TimTec1_000907 CC1C=C(C)C2C(C)C1COC2c3ccccc3OCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J06 compound treatment 0.547 0.133 4.17 0.543 0.128 3.78 5.6224 0.9988 1614670 TimTec1_000908 CC1CCCCN1S(=O)(=O)c2ccc(N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J07 compound treatment 0.584 0.17 5.34 0.565 0.15 4.43 6.906 0.9957 1620705 TimTec1_000909 CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J08 compound treatment 0.56 0.146 4.58 0.516 0.101 2.98 5.3458 0.9783 1432678 TimTec1_000910 Nc1cccc(c1)c2nc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J09 compound treatment 0.615 0.201 6.31 0.523 0.108 3.19 6.7153 0.9499 1679574 TimTec1_000911 Brc1ccc(cc1)C(=O)N2CCC(Cc3ccccc3)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J10 compound treatment 0.709 0.295 9.27 0.661 0.246 7.28 11.6967 0.9928 1513995 TimTec1_000912 CCCc1ccc(O)c(N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J11 compound treatment 0.512 0.0977 3.07 0.525 0.11 3.25 4.4671 0.9996 1491173 TimTec1_000913 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J12 compound treatment 0.518 0.104 3.26 0.473 0.0575 1.7 3.511 0.9543 3082639 TimTec1_000914 OC1(CCCCC1)/C=C/CN2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J13 compound treatment 0.49 0.0757 2.38 0.465 0.0495 1.47 2.7208 0.973 3179906 TimTec1_000915 CC[C@]1(CCCN2CC[C@]3([C@H]4CC1)c5cccc(OC)c5N4C(=O)C)[C@@H]23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J14 compound treatment 0.502 0.0877 2.76 0.536 0.121 3.57 4.4752 0.9918 3082641 TimTec1_000916 CC1=[N+](CCC#N)c2ccccc2C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J15 compound treatment 0.499 0.0847 2.66 0.552 0.137 4.05 4.7438 0.9794 1205123 TimTec1_000917 Cc1cccc(SCC(=O)Nc2ccc3OCCOc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J16 compound treatment 0.487 0.0727 2.29 0.523 0.108 3.19 3.8693 0.9867 3082643 TimTec1_000918 SC(=S)N1CCCCC1c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J17 compound treatment 0.435 0.0207 0.65 0.473 0.0575 1.7 1.6655 0.9128 3209348 TimTec1_000919 CCOc1ccc(cc1)C(=O)CC(N)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J18 compound treatment 0.517 0.103 3.23 0.522 0.107 3.16 4.5154 0.9999 1146682 TimTec1_000920 O=C1N(CCN2CC3CC(C2)c4cccc(=O)n4C3)C(=O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J19 compound treatment 0.562 0.148 4.64 0.535 0.12 3.54 5.7883 0.9911 1708504 TimTec1_000921 NCCOc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J20 compound treatment 0.533 0.119 3.73 0.431 0.0155 0.46 2.9645 0.7883 1179648 TimTec1_000922 CN(C)c1ccc(cc1)C2NC(=S)NC(=C2C(=O)OCCc3ccccc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J21 compound treatment 0.568 0.154 4.83 0.444 0.0285 0.85 4.015 0.8184 3082646 TimTec1_000923 NC(=N)SCc1csc(N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J22 compound treatment 0.543 0.129 4.05 0.428 0.0125 0.37 3.1239 0.7688 3082648 TimTec1_000924 C(Sc1cccc2cccnc12)c3nnc(o3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J23 mock treatment 0.449 0.0347 1.09 0.398 -0.0175 -0.52 0.4054 0.3357 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 J24 mock treatment 0.412 -0.00231 -0.07 0.432 0.0165 0.49 0.2951 0.5959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K01 compound treatment 0.402 -0.0123 -0.39 0.437 0.0215 0.64 0.1775 0.2379 1262368 TimTec1_000925 CC(C)(C)NC(=O)CC(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K02 compound treatment 0.419 0.00469 0.15 0.407 -0.00847 -0.25 -0.0731 -0.2511 1207448 TimTec1_000926 CCc1nc2n(ncc2c(=O)n1CCc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K03 compound treatment 0.555 0.141 4.42 0.436 0.0205 0.61 3.5584 0.7969 1458877 TimTec1_000927 COc1ccc(cc1S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K04 compound treatment 0.56 0.146 4.58 0.425 0.00953 0.28 3.4391 0.7493 3082651 TimTec1_000928 COc1ccc(cc1N)S(=O)(=O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K05 compound treatment 0.504 0.0897 2.82 0.422 0.00653 0.19 2.1311 0.7539 3209349 TimTec1_000929 O=C1CCCC(Cn2cncn2)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K06 compound treatment 0.602 0.188 5.9 0.441 0.0255 0.76 4.7081 0.7913 1111413 TimTec1_000930 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K07 compound treatment 0.569 0.155 4.86 0.436 0.0205 0.61 3.8696 0.7894 3082653 TimTec1_000931 CCC1=CC(NC(=S)N1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K08 compound treatment 0.561 0.147 4.61 0.394 -0.0215 -0.64 2.8118 0.6039 3209350 TimTec1_000932 Oc1ccccc1/C=N/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K09 compound treatment 0.491 0.0767 2.41 0.554 0.139 4.1 4.6078 0.9679 3082655 TimTec1_000933 CCc1ccc(OCCNC(=O)c2ccco2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K10 compound treatment 0.591 0.177 5.56 0.535 0.12 3.54 6.4331 0.9764 1604140 TimTec1_000934 Clc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K11 compound treatment 0.547 0.133 4.17 0.505 0.0895 2.65 4.8262 0.9761 1651876 TimTec1_000935 CNC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K12 compound treatment 0.534 0.12 3.76 0.493 0.0775 2.3 4.2858 0.972 3082657 TimTec1_000936 Cc1onc(c1C(=O)NC2=NCCS2)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K13 compound treatment 0.47 0.0557 1.75 0.462 0.0465 1.38 2.2133 0.993 3209351 TimTec1_000937 Clc1ccc(/C=N\n2cnnc2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K14 compound treatment 0.466 0.0517 1.63 0.482 0.0665 1.97 2.5434 0.9954 1479829 TimTec1_000938 Brc1ccc(cc1)S(=O)(=O)NCC2CCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K15 compound treatment 0.488 0.0737 2.32 0.528 0.113 3.33 3.9963 0.9842 3209352 TimTec1_000939 COc1ccc(/C=N/c2ccc(Br)cc2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K16 compound treatment 0.512 0.0977 3.07 0.532 0.117 3.45 4.6138 0.9983 1308008 TimTec1_000940 CCN(c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K17 compound treatment 0.469 0.0547 1.72 0.459 0.0435 1.29 2.1282 0.99 1918619 TimTec1_000941 CCOC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K18 compound treatment 0.441 0.0267 0.84 0.443 0.0275 0.82 1.1704 0.9999 1453153 TimTec1_000942 COC(=O)c1cc(NC(=O)c2ccco2)cc(c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K19 compound treatment 0.533 0.119 3.73 0.474 0.0585 1.73 3.8654 0.9392 3209353 TimTec1_000943 Nc1nc2c3cc4CCCc4nc3sc2c(c1C#N)c5ccc(Br)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K20 compound treatment 0.525 0.111 3.48 0.433 0.0175 0.52 2.8285 0.8038 1246610 TimTec1_000944 Cc1cccc(N2C(=O)c3ccc(cc3C2=O)C(=O)Nc4c[nH]c(=O)[nH]c4=O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K21 compound treatment 0.544 0.13 4.08 0.426 0.0105 0.31 3.1043 0.759 1512817 TimTec1_000945 Cc1ccc(cc1)n2c(C)nc3sc4CCCc4c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K22 compound treatment 0.513 0.0987 3.1 0.408 -0.00747 -0.22 2.0379 0.655 3209354 TimTec1_000946 NC(=O)C(C(C(C#N)C#N)c1ccccc1Cl)[n+]2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K23 mock treatment 0.457 0.0427 1.34 0.4 -0.0155 -0.46 0.6251 0.4407 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 K24 mock treatment 0.404 -0.0103 -0.32 0.424 0.00853 0.25 -0.0504 -0.1226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L01 compound treatment 0.429 0.0147 0.46 0.486 0.0705 2.09 1.8045 0.8431 1381598 TimTec1_000947 NC(=O)c1c(c(C#N)c(N)[nH]c1=S)c2cccc(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L02 compound treatment 0.436 0.0217 0.68 0.407 -0.00847 -0.25 0.3049 0.4195 1609999 TimTec1_000948 COC(=O)C1CCCN1S(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L03 compound treatment 0.523 0.109 3.42 0.391 -0.0245 -0.72 1.904 0.545 1730347 TimTec1_000949 Cc1cccc(c1)C(=O)Nc2ccc3[nH]c(O)nc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L04 compound treatment 0.555 0.141 4.42 0.399 -0.0165 -0.49 2.7831 0.6253 1111506 TimTec1_000950 OC(=O)CCc1ccc(F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L05 compound treatment 0.592 0.178 5.59 0.464 0.0485 1.44 4.9677 0.861 3209355 TimTec1_000951 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCCc4ccccc34)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L06 compound treatment 0.533 0.119 3.73 0.398 -0.0175 -0.52 2.273 0.6033 1321261 TimTec1_000952 CC(CO)(CO)NS(=O)(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L07 compound treatment 0.678 0.264 8.29 0.517 0.102 3.01 7.9903 0.9059 3209356 TimTec1_000953 CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccco3)/sc2=C(C1c4ccco4)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L08 compound treatment 0.498 0.0837 2.63 0.387 -0.0285 -0.84 1.2644 0.4575 1024363 TimTec1_000954 Nc1ccc(cc1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L09 compound treatment 0.482 0.0677 2.13 0.494 0.0785 2.33 3.1505 0.999 1663099 TimTec1_000955 CCN(C(=O)c1cccc(c1)C(=O)N(CC)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L10 compound treatment 0.574 0.16 5.02 0.457 0.0415 1.23 4.4208 0.8551 1061459 TimTec1_000956 CN(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L11 compound treatment 0.52 0.106 3.32 0.436 0.0205 0.61 2.7802 0.8229 1730887 TimTec1_000957 CCOC(=O)c1csc(N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L12 compound treatment 0.619 0.205 6.44 0.602 0.187 5.53 8.4595 0.9971 1709522 TimTec1_000958 O=C(OC1(CCCCC1)C#CCN2CCCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L13 compound treatment 0.552 0.138 4.33 0.466 0.0505 1.5 4.1202 0.8994 1685514 TimTec1_000959 CCC1(CCCN2CCC3(C4CC1)c5ccc(OC)c(O)c5N4C(=O)C)C23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L14 compound treatment 0.499 0.0847 2.66 0.458 0.0425 1.26 2.7742 0.9416 1920479 TimTec1_000960 Oc1ccc(/C=N/c2nccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L15 compound treatment 0.543 0.129 4.05 0.423 0.00753 0.22 3.0192 0.745 3082723 TimTec1_000961 CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L16 compound treatment 0.66 0.246 7.73 0.59 0.175 5.17 9.1196 0.981 3209357 TimTec1_000962 Oc1ccc(/C=N/CC2CCCN3CCCCC23)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L17 compound treatment 0.529 0.115 3.61 0.512 0.0965 2.86 4.5727 0.9934 3082725 TimTec1_000963 OC(=O)C(CC(=O)c1ccc(Cl)cc1)NC2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L18 compound treatment 0.518 0.104 3.26 0.433 0.0175 0.52 2.6729 0.8096 1466736 TimTec1_000964 O=C1N(CCN2CCCCC2)C(=O)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L19 compound treatment 0.496 0.0817 2.57 0.403 -0.0125 -0.37 1.5551 0.5993 3082726 TimTec1_000965 CC(=O)NCCOc1ccccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L20 compound treatment 0.541 0.127 3.98 0.402 -0.0135 -0.4 2.5347 0.6331 3209478 TimTec1_000966 COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OC)c(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L21 compound treatment 0.503 0.0887 2.79 0.385 -0.0305 -0.9 1.3336 0.455 3082728 TimTec1_000967 COc1cccc(c1)c2csc3[nH]cnc(=O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L22 compound treatment 0.521 0.107 3.35 0.406 -0.00947 -0.28 2.1738 0.6457 1136019 TimTec1_000968 CN(C)c1ccc(cc1)C2NCC(CSc3nc4ccccc4s3)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L23 mock treatment 0.397 -0.0173 -0.54 0.387 -0.0285 -0.84 -0.9813 -0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 L24 mock treatment 0.413 -0.00131 -0.04 0.433 0.0175 0.52 0.3383 0.6491 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M01 compound treatment 0.429 0.0147 0.46 0.451 0.0355 1.05 1.0712 0.9316 1453808 TimTec1_000969 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M02 compound treatment 0.465 0.0507 1.59 0.459 0.0435 1.29 2.0392 0.9945 1706729 TimTec1_000970 Cc1csc(NC(=O)CSc2nc(ccc2C#N)C3(CC4CC5CC(C4)C3)C5)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M03 compound treatment 0.547 0.133 4.17 0.396 -0.0195 -0.58 2.5424 0.6036 1282202 TimTec1_000971 CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M04 compound treatment 0.479 0.0647 2.03 0.422 0.00653 0.19 1.5753 0.7709 3082794 TimTec1_000972 Nc1ccc(Cc2ccc(N)c(C#N)c2)cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M05 compound treatment 0.584 0.17 5.34 0.457 0.0415 1.23 4.6432 0.8479 3209479 TimTec1_000973 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCC=C)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M06 compound treatment 0.564 0.15 4.71 0.442 0.0265 0.79 3.8842 0.8139 1356106 TimTec1_000974 CN(C)c1cc(O)c(C(=S)Nc2ccccc2)c(c1)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M07 compound treatment 0.514 0.0997 3.13 0.39 -0.0255 -0.75 1.683 0.522 1632278 TimTec1_000975 CC(Sc1ncnc2[nH]cnc12)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M08 compound treatment 0.523 0.109 3.42 0.403 -0.0125 -0.37 2.1554 0.627 3082797 TimTec1_000976 COc1ccc(/C=N/c2ccccc2C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M09 compound treatment 0.531 0.117 3.67 0.401 -0.0145 -0.43 2.2914 0.6203 3209480 TimTec1_000977 Cc1ccccc1OCCNC(=O)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M10 compound treatment 0.565 0.151 4.74 0.474 0.0585 1.73 4.5769 0.9071 1332157 TimTec1_000978 COc1ccc(NC(=O)c2cccc(C)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M11 compound treatment 0.524 0.11 3.45 0.512 0.0965 2.86 4.4615 0.9957 3209481 TimTec1_000979 NNC(=O)CCCSc1nc2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M12 compound treatment 0.472 0.0577 1.81 0.573 0.158 4.67 4.5835 0.9152 3082799 TimTec1_000980 Cc1ccccc1C(=O)NC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M13 compound treatment 0.525 0.111 3.48 0.406 -0.00947 -0.28 2.2628 0.648 1494508 TimTec1_000981 Cc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n3ccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M14 compound treatment 0.537 0.123 3.86 0.431 0.0155 0.46 3.0534 0.7859 1306757 TimTec1_000982 CN(C1CCCCC1)S(=O)(=O)c2cc(Cl)ccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M15 compound treatment 0.549 0.135 4.24 0.444 0.0285 0.85 3.5926 0.8319 3082802 TimTec1_000983 COc1ccc(/C=N/c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M16 compound treatment 0.499 0.0847 2.66 0.382 -0.0335 -0.99 1.1818 0.4159 1154044 TimTec1_000984 COc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M17 compound treatment 0.502 0.0877 2.76 0.447 0.0315 0.93 2.6105 0.8966 3082804 TimTec1_000985 Fc1ccc(/C=N/c2ccc3ccccc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M18 compound treatment 0.449 0.0347 1.09 0.392 -0.0235 -0.7 0.2797 0.2162 1441763 TimTec1_000986 CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M19 compound treatment 0.574 0.16 5.02 0.48 0.0645 1.91 4.9027 0.9125 1358509 TimTec1_000987 CN1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3cc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M20 compound treatment 0.41 -0.00431 -0.14 0.4 -0.0155 -0.46 -0.4198 -0.8785 1432076 TimTec1_000988 Clc1ccc(NC(=O)CCN2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M21 compound treatment 0.485 0.0707 2.22 0.402 -0.0135 -0.4 1.2896 0.571 1556893 TimTec1_000989 CCOC(=O)c1cnn(c1NC(=O)C(C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M22 compound treatment 0.509 0.0947 2.98 0.451 0.0355 1.05 2.8499 0.9024 3209482 TimTec1_000990 C[C@]1(O)NC(=C(C#N)C(C1[n+]2ccccc2)c3ccc(Cl)cc3)S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M23 mock treatment 0.398 -0.0163 -0.51 0.414 -0.00147 -0.04 -0.3933 -0.7643 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 M24 mock treatment 0.414 -3.08E-4 -0.01 0.436 0.0205 0.61 0.4234 0.6958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N01 compound treatment 0.462 0.0477 1.5 0.488 0.0725 2.15 2.5802 0.9845 1633893 TimTec1_000991 Oc1cccc(c1)C2=NC(=O)c3ccccc3Nc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N02 compound treatment 0.391 -0.0233 -0.73 0.406 -0.00947 -0.28 -0.7166 -0.9132 1083978 TimTec1_000992 CCOC(=O)Nc1ccc(Cl)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N03 compound treatment 0.431 0.0167 0.52 0.398 -0.0175 -0.52 0.0052 0.007 1379055 TimTec1_000993 CC(=O)OC1C2CCC1C(CC2)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N04 compound treatment 0.448 0.0337 1.06 0.389 -0.0265 -0.78 0.1946 0.1476 1041245 TimTec1_000994 NNC(=O)CCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N05 compound treatment 0.551 0.137 4.3 0.411 -0.00447 -0.13 2.9456 0.685 1709635 TimTec1_000995 O=C(Nc1ccccc1)OC2C3CCCC2C(CC3)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N06 compound treatment 0.531 0.117 3.67 0.407 -0.00847 -0.25 2.4171 0.6572 1189065 TimTec1_000996 Cc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N07 compound treatment 0.612 0.198 6.22 0.543 0.128 3.78 7.0676 0.9715 1163480 TimTec1_000997 CC(=O)NC1C(=O)N(Cc2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N08 compound treatment 0.497 0.0827 2.6 0.405 -0.0105 -0.31 1.6193 0.6184 1111758 TimTec1_000998 Nc1ccc(cc1)c2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N09 compound treatment 0.521 0.107 3.35 0.412 -0.00347 -0.1 2.2996 0.6851 1140426 TimTec1_000999 CN(Cc1ccccc1)C(=O)c2cccc(c2)C(=O)N(C)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N10 compound treatment 0.556 0.142 4.46 0.426 0.0105 0.31 3.3711 0.7548 1327404 TimTec1_001000 COc1ccc(cc1)C(=O)NC(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N11 compound treatment 0.521 0.107 3.35 0.434 0.0185 0.55 2.7605 0.8121 3209483 TimTec1_001001 COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)C)NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N12 compound treatment 0.506 0.0917 2.88 0.42 0.00453 0.13 2.1337 0.7393 1566798 TimTec1_001002 CCC(CC)(CN(C)C)OC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N13 compound treatment 0.53 0.116 3.64 0.399 -0.0165 -0.49 2.2273 0.6068 3209484 TimTec1_001003 CCCN1CC2(COC)CC[C@H](OC)[C@]3(CC[C@H](COC)[C@@H](O)C[C@@](C)(O)C4(O)[C@@H](OC)[C@@H]32)[C@@H]14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N14 compound treatment 0.526 0.112 3.51 0.425 0.00953 0.28 2.6831 0.7615 3082877 TimTec1_001004 Clc1ccc(/C=N/c2ccccn2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N15 compound treatment 0.486 0.0717 2.25 0.435 0.0195 0.58 2.0033 0.8607 3082878 TimTec1_001005 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)N3CCN(CC3)c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N16 compound treatment 0.474 0.0597 1.88 0.414 -0.00147 -0.04 1.2965 0.6905 1649522 TimTec1_001006 O=C1NC(=O)C(CC2CCCN3CCCCC23)C(=O)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N17 compound treatment 0.459 0.0447 1.41 0.403 -0.0125 -0.37 0.7325 0.5041 3209485 TimTec1_001007 CN(C)/C=N/c1n[nH]c(Nc2ccc(C)c(C)c2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N18 compound treatment 0.455 0.0407 1.28 0.413 -0.00247 -0.07 0.8531 0.6656 1153859 TimTec1_001008 C[N+]12CCCCC2C(CN3C(=O)c4ccccc4C3=O)CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N19 compound treatment 0.398 -0.0163 -0.51 0.396 -0.0195 -0.58 -0.7705 -0.9983 3082882 TimTec1_001009 CC(=O)NCCOc1ccc(cc1)C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N20 compound treatment 0.471 0.0567 1.78 0.436 0.0205 0.61 1.6907 0.8976 1577050 TimTec1_001010 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N21 compound treatment 0.399 -0.0153 -0.48 0.41 -0.00547 -0.16 -0.4549 -0.8957 3082884 TimTec1_001011 COC(=O)c1ccccc1N(C)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N22 compound treatment 0.442 0.0277 0.87 0.458 0.0425 1.26 1.5069 0.9837 3209486 TimTec1_001012 CN(C)c1ccc(cc1)C2NCC(CSc3nc(cc(c3C#N)C(F)(F)F)c4cccs4)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N23 mock treatment 0.399 -0.0153 -0.48 0.419 0.00353 0.1 -0.2663 -0.5407 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 N24 mock treatment 0.422 0.00769 0.24 0.44 0.0245 0.73 0.6851 0.8942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O01 compound treatment 0.433 0.0187 0.59 0.462 0.0465 1.38 1.3906 0.9277 1716121 TimTec1_001013 Clc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O02 compound treatment 0.433 0.0187 0.59 0.449 0.0335 0.99 1.1182 0.9686 3209487 TimTec1_001014 CCOC(=O)C(C)Sc1nc(ccc1C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O03 compound treatment 0.39 -0.0243 -0.76 0.411 -0.00447 -0.13 -0.634 -0.8174 1595818 TimTec1_001015 O=S(=O)(NC1CCCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O04 compound treatment 0.418 0.00369 0.12 0.413 -0.00247 -0.07 0.0304 0.2217 1004440 TimTec1_001016 COC(=O)c1ccc(cc1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O05 compound treatment 0.398 -0.0163 -0.51 0.421 0.00553 0.16 -0.2466 -0.4582 1455776 TimTec1_001017 OC(=O)CCC(=O)Nc1ccc(Cc2ccncc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O06 compound treatment 0.415 6.92E-4 0.02 0.423 0.00753 0.22 0.1732 0.7724 3082886 TimTec1_001018 COC1OC(C)C(OCc2ccccc2)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O07 compound treatment 0.404 -0.0103 -0.32 0.408 -0.00747 -0.22 -0.3856 -0.9827 1682147 TimTec1_001019 CN(C)C(=O)CSc1nnc(N)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O08 compound treatment 0.413 -0.00131 -0.04 0.423 0.00753 0.22 0.1288 0.5673 3082888 TimTec1_001020 OC(=O)c1ccccc1/N=C/c2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O09 compound treatment 0.462 0.0477 1.5 0.455 0.0395 1.17 1.8887 0.9925 1398146 TimTec1_001021 O=C(CC1c2ccccc2Oc3ccccc13)Nc4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O10 compound treatment 0.415 6.92E-4 0.02 0.416 5.33E-4 0.02 0.0266 0.9876 3082890 TimTec1_001022 CCN(c1cccc(C)c1)c2ccccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O11 compound treatment 0.43 0.0157 0.49 0.446 0.0305 0.9 0.9887 0.9593 3209488 TimTec1_001023 NC1=NN(C(=O)C1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O12 compound treatment 0.412 -0.00231 -0.07 0.416 5.33E-4 0.02 -0.0401 -0.5404 1608079 TimTec1_001024 COc1ccc(cc1)C(=O)N(CC#N)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O13 compound treatment 0.415 6.92E-4 0.02 0.411 -0.00447 -0.13 -0.0782 -0.583 1340354 TimTec1_001025 CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O14 compound treatment 0.44 0.0257 0.81 0.43 0.0145 0.43 0.8758 0.9566 1049845 TimTec1_001026 O=S(=O)(N1CCN(CC1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O15 compound treatment 0.453 0.0387 1.22 0.461 0.0455 1.35 1.8143 0.9987 3209489 TimTec1_001027 CC(=O)Nc1ccc(/N=C/c2cccc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O16 compound treatment 0.44 0.0257 0.81 0.462 0.0465 1.38 1.5462 0.9676 1685172 TimTec1_001028 CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O17 compound treatment 0.449 0.0347 1.09 0.469 0.0535 1.59 1.893 0.9833 1709515 TimTec1_001029 CC(NC(=O)c1sc2nc(C)cc(C)c2c1N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O18 compound treatment 0.439 0.0247 0.78 0.456 0.0405 1.2 1.3983 0.9777 3209490 TimTec1_001030 NC1=C(C#N)C(c2cccc(F)c2)n3c(=O)/c(=C\c4cccc(F)c4)/sc3=C1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O19 compound treatment 0.437 0.0227 0.71 0.462 0.0465 1.38 1.4795 0.953 1220431 TimTec1_001031 Cc1ccc(o1)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O20 compound treatment 0.405 -0.00931 -0.29 0.451 0.0355 1.05 0.5376 0.4919 3209602 TimTec1_001032 CC1(C)NCCC21C(=O)N(Cc3ccccc3)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O21 compound treatment 0.442 0.0277 0.87 0.464 0.0485 1.44 1.6326 0.9711 1707435 TimTec1_001033 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O22 compound treatment 0.416 0.00169 0.05 0.46 0.0445 1.32 0.9707 0.735 1398816 TimTec1_001034 NC1=C(C#N)C(c2ccoc2)c3c([nH]nc3O1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O23 mock treatment 0.416 0.00169 0.05 0.448 0.0325 0.96 0.7193 0.745 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 O24 mock treatment 0.431 0.0167 0.52 0.45 0.0345 1.02 1.0947 0.9519 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P01 compound treatment 0.47 0.0557 1.75 0.492 0.0765 2.27 2.8418 0.9918 1265807 TimTec1_001035 O=c1cc(c2ccccc2)n(cn1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P02 compound treatment 0.417 0.00269 0.08 0.44 0.0245 0.73 0.5739 0.7842 3209603 TimTec1_001036 CN1C2C(N=C1OCC=C)N(C)C(=O)N(C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P03 compound treatment 0.426 0.0117 0.37 0.447 0.0315 0.93 0.9207 0.9169 1404718 TimTec1_001037 COc1cc(ccc1O)C2OCC3C(C)C=C(C)C2C3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P04 compound treatment 0.433 0.0187 0.59 0.45 0.0345 1.02 1.1392 0.9653 3082971 TimTec1_001038 CN1CN(C(=C1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P05 compound treatment 0.421 0.00669 0.21 0.446 0.0305 0.9 0.7886 0.8489 1591413 TimTec1_001039 CC1C=C(C)C2C(C)C1(COC(=O)Nc3ccccc3)COC2c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P06 compound treatment 0.418 0.00369 0.12 0.427 0.0115 0.34 0.3237 0.897 1353881 TimTec1_001040 C=CCC1(C2CCCC2)C(=O)NC(=O)NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P07 compound treatment 0.478 0.0637 2.0 0.487 0.0715 2.12 2.9149 0.9996 3082974 TimTec1_001041 N(=c/1\[nH]n(c[n+]1c2ccccc2)c3ccccc3)\c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P08 compound treatment 0.417 0.00269 0.08 0.455 0.0395 1.17 0.8882 0.7562 1117800 TimTec1_001042 Nc1ccc2oc(nc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P09 compound treatment 0.516 0.102 3.2 0.528 0.113 3.33 4.6189 0.9998 3209604 TimTec1_001043 CC1C2C(O)C3C(N(C)C)C(=C(C(=O)N)C(=O)C3(O)C(=C2Cc4c(O)cccc14)O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P10 compound treatment 0.434 0.0197 0.62 0.447 0.0315 0.93 1.0985 0.98 1446940 TimTec1_001044 CCOc1ccc(cc1)C(=O)NC2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P11 compound treatment 0.428 0.0137 0.43 0.452 0.0365 1.08 1.0699 0.9184 3082976 TimTec1_001045 FC(F)(F)c1cccc(/N=C/c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P12 compound treatment 0.416 0.00169 0.05 0.438 0.0225 0.67 0.5098 0.761 3209605 TimTec1_001046 CC[N+](C)(CC)C/C=C\1/COCO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P13 compound treatment 0.416 0.00169 0.05 0.448 0.0325 0.96 0.7193 0.745 1357190 TimTec1_001047 COc1ccc(CC(=O)N(CC#N)CC#N)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P14 compound treatment 0.462 0.0477 1.5 0.474 0.0585 1.73 2.2868 0.9974 3082979 TimTec1_001048 C1OCc2cccc(/C=N/c3nccs3)c2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P15 compound treatment 0.449 0.0347 1.09 0.472 0.0565 1.68 1.9559 0.9784 3209606 TimTec1_001049 Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2c4ccc(cc4)C(F)(F)F)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P16 compound treatment 0.443 0.0287 0.9 0.492 0.0765 2.27 2.2415 0.9184 2110705 TimTec1_001050 CN(C)c1ccc(/C=N/CC2CCCN3CCCCC23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P17 compound treatment 0.42 0.00569 0.18 0.427 0.0115 0.34 0.3682 0.9545 3082982 TimTec1_001051 OC(=O)C(CC(=O)c1ccc(Br)cc1)NCCc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P18 compound treatment 0.426 0.0117 0.37 0.469 0.0535 1.59 1.3816 0.8485 3209607 TimTec1_001052 OC(=O)c1cc(/C=N/c2ccc(cc2)S(=O)(=O)NC3NC=CS3)c4OCOCc4c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P19 compound treatment 0.412 -0.00231 -0.07 0.44 0.0245 0.73 0.4627 0.6334 1482831 TimTec1_001053 CN(c1cccc2cccnc12)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P20 compound treatment 0.412 -0.00231 -0.07 0.434 0.0185 0.55 0.337 0.6084 1207395 TimTec1_001054 CC(C)COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P21 compound treatment 0.463 0.0487 1.53 0.477 0.0615 1.82 2.3719 0.9962 3082984 TimTec1_001055 Cn1c(S)nc2sc3CC(CCc3c2c1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P22 compound treatment 0.441 0.0267 0.84 0.464 0.0485 1.44 1.6104 0.9671 3209608 TimTec1_001056 CCN(CC)C(=S)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P23 mock treatment 0.429 0.0147 0.46 0.449 0.0335 0.99 1.0293 0.9393 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2065 P24 mock treatment 0.474 0.0597 1.88 0.489 0.0735 2.18 2.8679 0.9972 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A01 compound treatment 0.445 0.0331 1.04 0.432 0.0157 0.47 1.065 0.9346 3209609 TimTec1_001057 FC(F)(F)c1cc(NC(=O)C(=S)N2CCCCC2)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A02 compound treatment 0.437 0.0251 0.79 0.425 0.00874 0.26 0.7404 0.8925 3082986 TimTec1_001058 CCN1C(=C(C#N)C2(CCNCC2)c3nc(C)oc13)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A03 compound treatment 0.476 0.0641 2.01 0.524 0.108 3.19 3.6819 0.9753 3082988 TimTec1_001059 Oc1cccc(/C=C\2/NC(=S)SC2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A04 compound treatment 0.45 0.0381 1.2 0.439 0.0227 0.67 1.3228 0.9631 3209610 TimTec1_001060 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3cnn(c3C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A05 compound treatment 0.418 0.00606 0.19 0.432 0.0157 0.47 0.4647 0.9221 1135930 TimTec1_001061 O=C(NCCN1CCCCC1)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A06 compound treatment 0.489 0.0771 2.42 0.531 0.115 3.4 4.1176 0.9862 1680573 TimTec1_001062 COc1cc(OC)cc(c1)C(C(C#N)C#N)c2nc(C)[nH]c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A07 compound treatment 0.413 0.00106 0.03 0.41 -0.00626 -0.19 -0.1075 -0.5703 3209611 TimTec1_001063 CCOC(=O)C(N)Cc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A08 compound treatment 0.42 0.00806 0.25 0.424 0.00774 0.23 0.3415 0.9988 1656439 TimTec1_001064 CCN(CC)C(=S)CSc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A09 compound treatment 0.481 0.0691 2.17 0.492 0.0757 2.24 3.1226 0.9999 1709298 TimTec1_001065 COc1ccc2CCC(CC3(O)C(=O)N(C)c4ccccc43)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A10 compound treatment 0.421 0.00906 0.29 0.423 0.00674 0.2 0.3428 0.9849 1586331 TimTec1_001066 CC1=CC(c2ccoc2)c3c(S1)oc(N)c(C#N)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A11 compound treatment 0.447 0.0351 1.1 0.464 0.0477 1.41 1.7799 0.9924 3083064 TimTec1_001067 Fc1ccc(CSC(=C(C#N)C#N)Nc2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A12 compound treatment 0.458 0.0461 1.45 0.467 0.0507 1.5 2.0874 0.9998 3209612 TimTec1_001068 CCCN1CC=C2C(C#N)(C#N)C(=C(C)[C@H](c3ccc(cc3)C(=O)OC)[C@@]2(C)C1)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A13 compound treatment 0.425 0.0131 0.41 0.443 0.0267 0.79 0.8508 0.9532 1679027 TimTec1_001069 CC(C)Oc1ccc(cc1)C2C(=C(N)N(c3oc(C)nc23)c4ccccc4)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A14 compound treatment 0.417 0.00506 0.16 0.425 0.00874 0.26 0.2958 0.9727 3209613 TimTec1_001070 CC(C)(C)C1CC=C2[C@H](C1)[C@H](C(=C(N)C2(C#N)C#N)C#N)c3ccsc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A15 compound treatment 0.427 0.0151 0.47 0.43 0.0137 0.41 0.6229 0.9972 3209614 TimTec1_001071 CN1C2CCC1[C@@H]3[C@H](C(=C(N)C(C#N)(C#N)C3=C2)C#N)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A16 compound treatment 0.42 0.00806 0.25 0.427 0.0107 0.32 0.4044 0.9937 1128630 TimTec1_001072 COc1cc(OC)cc(c1)C2SC(=C(C#N)C(=C2C#N)N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A17 compound treatment 0.405 -0.00694 -0.22 0.412 -0.00426 -0.13 -0.2434 -0.9662 3083068 TimTec1_001073 COC(=O)C1=C(N)OC2=C(CCCC2=O)C1c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A18 compound treatment 0.398 -0.0139 -0.44 0.413 -0.00326 -0.1 -0.3781 -0.8427 3209615 TimTec1_001074 Clc1cccc(c1)C(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A19 compound treatment 0.41 -0.00194 -0.06 0.423 0.00674 0.2 0.0982 0.4704 1165075 TimTec1_001075 CCOC(=O)C1=C(S)N(C#N)C(=O)C(C#N)C21CCNCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A20 compound treatment 0.368 -0.0439 -1.38 0.369 -0.0473 -1.4 -1.967 -1.0 3083071 TimTec1_001076 CC(NC(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A21 compound treatment 0.382 -0.0299 -0.94 0.443 0.0267 0.79 -0.1053 -0.0856 1594569 TimTec1_001077 CCOC(=O)C1=C(N)OC(=C(C#N)C1c2ccccc2)c3cccc(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A22 compound treatment 0.369 -0.0429 -1.35 0.414 -0.00226 -0.07 -1.0019 -0.7412 1190176 TimTec1_001078 CCOC(=O)C1CCCn2c1nc3sc4CCCCc4c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A23 mock treatment 0.41 -0.00194 -0.06 0.409 -0.00726 -0.22 -0.1951 -0.8729 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 A24 mock treatment 0.411 -9.35E-4 -0.03 0.417 7.42E-4 0.02 -0.0053 -0.1431 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B01 compound treatment 0.405 -0.00694 -0.22 0.406 -0.0103 -0.3 -0.3691 -0.9867 3209616 TimTec1_001079 O=c1oc(nc2scc(c3ccccc3)c12)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B02 compound treatment 0.401 -0.0109 -0.34 0.389 -0.0273 -0.81 -0.8143 -0.9276 1252791 TimTec1_001080 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccco4)C(=S)Nc5cccc(Cl)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B03 compound treatment 0.379 -0.0329 -1.04 0.381 -0.0353 -1.04 -1.471 -1.0 3083074 TimTec1_001081 CCC(C)NC(=O)CSc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B04 compound treatment 0.339 -0.0729 -2.29 0.344 -0.0723 -2.14 -3.1356 -0.9994 3083076 TimTec1_001082 O=C(CCCCn1cnc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B05 compound treatment 0.376 -0.0359 -1.13 0.38 -0.0363 -1.07 -1.5587 -0.9997 1133090 TimTec1_001083 C1CC2=C(Nc3ncnn3C2c4ccccc4)c5ccccc5C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B06 compound treatment 0.375 -0.0369 -1.16 0.372 -0.0443 -1.31 -1.7485 -0.9982 1354657 TimTec1_001084 CC1CN(C)C(C(C)C21NC(=O)NC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B07 compound treatment 0.325 -0.0869 -2.73 0.298 -0.118 -3.5 -4.4107 -0.9925 3083078 TimTec1_001085 Clc1cnn(Cc2ccccc2)c(=S)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B08 compound treatment 0.39 -0.0219 -0.69 0.382 -0.0343 -1.02 -1.2055 -0.9823 3209617 TimTec1_001086 OC(=O)[C@H]1NC(=O)C1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B09 compound treatment 0.415 0.00306 0.1 0.419 0.00274 0.08 0.1256 0.9964 1612069 TimTec1_001087 Nc1sc2CCCc2c1C(=O)Nc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B10 compound treatment 0.408 -0.00394 -0.12 0.406 -0.0103 -0.3 -0.3024 -0.9215 3083081 TimTec1_001088 CC/1=NN(C(=O)\C1=C\2/C(=O)Nc3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B11 compound treatment 0.503 0.0911 2.86 0.519 0.103 3.04 4.1774 0.9995 1674088 TimTec1_001089 Nn1c(nc2ccccc2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B12 compound treatment 0.379 -0.0329 -1.04 0.378 -0.0383 -1.13 -1.5339 -0.999 1517968 TimTec1_001090 O=C(N1CCc2ccccc12)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B13 compound treatment 0.411 -9.35E-4 -0.03 0.412 -0.00426 -0.13 -0.11 -0.8492 1537974 TimTec1_001091 Nc1sc2CCCCCc2c1C(=O)Nc3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B14 compound treatment 0.374 -0.0379 -1.19 0.37 -0.0463 -1.37 -1.8127 -0.9976 3083084 TimTec1_001092 CCCNC(=O)Cn1nc(cc1C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B15 compound treatment 0.391 -0.0209 -0.66 0.395 -0.0213 -0.63 -0.9109 -0.9998 3209740 TimTec1_001093 Cc1cc(Br)c(NC(=O)C2C(C)(C)C2(C)C)c(Br)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B16 compound treatment 0.375 -0.0369 -1.16 0.376 -0.0403 -1.19 -1.6647 -0.9999 1410434 TimTec1_001094 CC(C)(C)c1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B17 compound treatment 0.387 -0.0249 -0.78 0.334 -0.0823 -2.44 -2.2779 -0.8897 3083156 TimTec1_001095 CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B18 compound treatment 0.373 -0.0389 -1.22 0.389 -0.0273 -0.81 -1.4368 -0.9796 1578203 TimTec1_001096 Fc1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B19 compound treatment 0.377 -0.0349 -1.1 0.381 -0.0353 -1.04 -1.5155 -0.9997 3083160 TimTec1_001097 CC(=O)Nc1nonc1/N=C\c2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B20 compound treatment 0.34 -0.0719 -2.26 0.365 -0.0513 -1.52 -2.6734 -0.9812 1344731 TimTec1_001098 Fc1ccc(CNC(=O)c2ccccc2C(=O)Cc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B21 compound treatment 0.433 0.0211 0.66 0.398 -0.0183 -0.54 0.0858 0.1003 1376655 TimTec1_001099 COc1cc(SC)ccc1C(=O)NC2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B22 compound treatment 0.441 0.0291 0.91 0.412 -0.00426 -0.13 0.557 0.6038 3209741 TimTec1_001100 Oc1ccc(cc1)C(=O)N2Cc3ccccc3N=C2S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B23 mock treatment 0.387 -0.0249 -0.78 0.349 -0.0673 -1.99 -1.9637 -0.9169 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 B24 mock treatment 0.403 -0.00894 -0.28 0.4 -0.0163 -0.48 -0.5393 -0.9671 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C01 compound treatment 0.424 0.0121 0.38 0.424 0.00774 0.23 0.4305 0.971 3209742 TimTec1_001101 Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)c2C#N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C02 compound treatment 0.399 -0.0129 -0.41 0.423 0.00674 0.2 -0.1463 -0.3229 3083163 TimTec1_001102 CCN(CC)c1cc(nc(SCC(=O)c2cccs2)c1C#N)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C03 compound treatment 0.402 -0.00994 -0.31 0.408 -0.00826 -0.24 -0.3939 -0.9927 3083164 TimTec1_001103 N=c1sc2ccccc2n1C(=O)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C04 compound treatment 0.452 0.0401 1.26 0.46 0.0437 1.3 1.8073 0.9999 3209743 TimTec1_001104 COc1cccc(c1)[C@@H]2[C@H](N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c5ccc(OC)c(F)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C05 compound treatment 0.388 -0.0239 -0.75 0.394 -0.0223 -0.66 -0.9985 -0.9978 1213390 TimTec1_001105 O=C(CSC1OC2C=CC=CC2=N1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C06 compound treatment 0.424 0.0121 0.38 0.427 0.0107 0.32 0.4933 0.9962 3209744 TimTec1_001106 CC1CC(=O)C2=C(O1)OC(=C(C#N)C2c3ccccc3C(F)(F)F)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C07 compound treatment 0.447 0.0351 1.1 0.449 0.0327 0.97 1.4657 0.998 1713226 TimTec1_001107 COc1cc2ccc(=O)oc2c(OC3OC(CO)C(O)C(O)C3O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C08 compound treatment 0.4 -0.0119 -0.38 0.402 -0.0143 -0.42 -0.5641 -0.9983 3083167 TimTec1_001108 Cc1ccc(CSc2nc(ccc2C#N)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C09 compound treatment 0.427 0.0151 0.47 0.422 0.00574 0.17 0.4553 0.9045 3209745 TimTec1_001109 COc1cc(cc(OC)c1OC)c2c(C#N)c(SCC#N)nc(N)c2C(=O)OC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C10 compound treatment 0.426 0.0141 0.44 0.423 0.00674 0.2 0.454 0.9355 3083169 TimTec1_001110 CCc1ccc(cc1)[C@@H]2[C@H]3CN(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C11 compound treatment 0.389 -0.0229 -0.72 0.385 -0.0313 -0.93 -1.1649 -0.9923 3209746 TimTec1_001111 Fc1cccc(CSC(=C(C#N)C#N)Nc2ccccc2Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C12 compound treatment 0.39 -0.0219 -0.69 0.401 -0.0153 -0.45 -0.8074 -0.979 3209747 TimTec1_001112 COC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)C(=O)OC)C(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C13 compound treatment 0.44 0.0281 0.88 0.447 0.0307 0.91 1.2681 0.9999 1123898 TimTec1_001113 COC(=O)[C@@]1(C#N)C([C@@H](C#N)N2[C@@H]1C=Cc3ccccc23)c4cc(OC)cc(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C14 compound treatment 0.4 -0.0119 -0.38 0.401 -0.0153 -0.45 -0.5851 -0.9957 1317642 TimTec1_001114 COc1ccc(cc1)c2cc(SCCN3CCOCC3)c(C#N)c(n2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C15 compound treatment 0.427 0.0151 0.47 0.428 0.0117 0.35 0.581 0.9885 3083174 TimTec1_001115 CCOC(=O)C1=C(N)SC(=C(C#N)C1c2ccco2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C16 compound treatment 0.401 -0.0109 -0.34 0.409 -0.00726 -0.22 -0.3952 -0.9745 1197248 TimTec1_001116 Cc1cc2CC(=C(C#N)C(c3cccc(COc4ccccc4Cl)c3)c2c(=O)o1)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C17 compound treatment 0.412 6.45E-5 0.0 0.472 0.0557 1.65 1.1694 0.708 3209748 TimTec1_001117 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)c3ccccc3)N)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C18 compound treatment 0.401 -0.0109 -0.34 0.405 -0.0113 -0.33 -0.479 -0.9999 3083176 TimTec1_001118 CC1CCN(CC1)C(=O)c2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C19 compound treatment 0.392 -0.0199 -0.63 0.413 -0.00326 -0.1 -0.5115 -0.8065 3209749 TimTec1_001119 CC1=C(C#N)C(C2=C(CC(CC2=O)c3ccc(Br)cc3)O1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C20 compound treatment 0.433 0.0211 0.66 0.398 -0.0183 -0.54 0.0858 0.1003 3083178 TimTec1_001120 CC(=O)NC(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C21 compound treatment 0.375 -0.0369 -1.16 0.389 -0.0273 -0.81 -1.3923 -0.9842 3209750 TimTec1_001121 COc1ccc(cc1OC)C(=O)COC2=C(C#N)C3(CCCC3)C(C#N)C(=S)N2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C22 compound treatment 0.393 -0.0189 -0.6 0.396 -0.0203 -0.6 -0.8455 -1.0 3083180 TimTec1_001122 C1CCc2c(C1)sc3ncnc(Sc4ccccc4)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C23 mock treatment 0.396 -0.0159 -0.5 0.435 0.0187 0.56 0.0384 0.0513 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 C24 mock treatment 0.411 -9.35E-4 -0.03 0.419 0.00274 0.08 0.0367 0.4242 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D01 compound treatment 0.424 0.0121 0.38 0.443 0.0267 0.79 0.8286 0.9431 1699716 TimTec1_001123 CCc1nc2sc(C)c(C)c2c(=O)n1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D02 compound treatment 0.403 -0.00894 -0.28 0.413 -0.00326 -0.1 -0.2669 -0.8985 3209751 TimTec1_001124 CC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D03 compound treatment 0.408 -0.00394 -0.12 0.421 0.00474 0.14 0.0119 0.0633 3082090 TimTec1_001125 CC(C)(C)NC(=O)CSc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D04 compound treatment 0.421 0.00906 0.29 0.424 0.00774 0.23 0.3638 0.9942 1162107 TimTec1_001126 CC(C)N1CCC2(CC1)C(=C(O)NC3=C2C(=O)CC(C)(C)C3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D05 compound treatment 0.395 -0.0169 -0.53 0.403 -0.0133 -0.39 -0.6543 -0.9888 3209752 TimTec1_001127 COc1ccc(cc1)N2Cc3ccccc3C4(CCOCC4)C2=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D06 compound treatment 0.415 0.00306 0.1 0.413 -0.00326 -0.1 -1.0E-4 -9.0E-4 3209753 TimTec1_001128 COc1ccc(/N=C(\C)/c2c([nH]n(c3nc4ccccc4s3)c2=O)C(F)(F)F)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D07 compound treatment 0.391 -0.0209 -0.66 0.401 -0.0153 -0.45 -0.7852 -0.9832 1727579 TimTec1_001129 Clc1c(NCC2CCCO2)cnn(Cc3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D08 compound treatment 0.41 -0.00194 -0.06 0.412 -0.00426 -0.13 -0.1323 -0.9441 3082095 TimTec1_001130 Cc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D09 compound treatment 0.412 6.45E-5 0.0 0.416 -2.58E-4 -0.01 -0.004 -0.5022 1199669 TimTec1_001131 CCOc1ccc(NC(=O)c2c(N)sc3CCCc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D10 compound treatment 0.416 0.00406 0.13 0.422 0.00574 0.17 0.2107 0.9901 1714748 TimTec1_001132 NC(=O)CSc1nc2CC3=C(CCC3)c2c(=O)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D11 compound treatment 0.396 -0.0159 -0.5 0.403 -0.0133 -0.39 -0.6321 -0.9928 1348333 TimTec1_001133 O=c1oc(nc2ccccc12)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D12 compound treatment 0.406 -0.00594 -0.19 0.414 -0.00226 -0.07 -0.1793 -0.9043 1118692 TimTec1_001134 O=C(N1CCCc2ccccc12)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D13 compound treatment 0.385 -0.0269 -0.85 0.39 -0.0263 -0.78 -1.1491 -0.9991 1352264 TimTec1_001135 CN(C)C(=O)c1c(NC(=O)c2ccc(C)cc2)sc3CCCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D14 compound treatment 0.41 -0.00194 -0.06 0.409 -0.00726 -0.22 -0.1951 -0.8729 3209754 TimTec1_001136 CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D15 compound treatment 0.388 -0.0239 -0.75 0.385 -0.0313 -0.93 -1.1871 -0.9947 3082099 TimTec1_001137 C=CC[n+]1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D16 compound treatment 0.385 -0.0269 -0.85 0.401 -0.0153 -0.45 -0.9186 -0.9568 3209755 TimTec1_001138 FC(F)(F)c1cccc(c1)C(=O)Oc2ccc(cc2)C3SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D17 compound treatment 0.399 -0.0129 -0.41 0.407 -0.00926 -0.27 -0.4816 -0.9816 3082101 TimTec1_001139 CCOc1ccc2ccccc2c1/C=N/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D18 compound treatment 0.411 -9.35E-4 -0.03 0.399 -0.0173 -0.51 -0.3824 -0.7465 1260565 TimTec1_001140 Clc1ccc(NC(=O)CN2CCCc3ccccc23)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D19 compound treatment 0.38 -0.0319 -1.0 0.382 -0.0343 -1.02 -1.4278 -1.0 1408681 TimTec1_001141 NNC(=O)c1cccc(Cn2cccn2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D20 compound treatment 0.533 0.121 3.81 0.478 0.0617 1.83 3.9854 0.9436 3209756 TimTec1_001142 CC(C)Cn1c(=O)c2ccccc2[nH]c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D21 compound treatment 0.384 -0.0279 -0.88 0.388 -0.0283 -0.84 -1.2132 -0.9997 1521586 TimTec1_001143 Cc1ccccc1OCc2nnc(SCC(=O)N)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D22 compound treatment 0.379 -0.0329 -1.04 0.38 -0.0363 -1.07 -1.492 -0.9998 3209757 TimTec1_001144 COc1ccc(/C=N/C2=NNC(=O)C(CC(=O)O)S2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D23 mock treatment 0.397 -0.0149 -0.47 0.395 -0.0213 -0.63 -0.7775 -0.9895 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 D24 mock treatment 0.421 0.00906 0.29 0.415 -0.00126 -0.04 0.1752 0.6094 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E01 compound treatment 0.421 0.00906 0.29 0.424 0.00774 0.23 0.3638 0.9942 1632993 TimTec1_001145 NC(=O)c1cnn2c(N)c(C#N)cnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E02 compound treatment 0.408 -0.00394 -0.12 0.409 -0.00726 -0.22 -0.2396 -0.9655 1454243 TimTec1_001146 CC(C)OC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E03 compound treatment 0.452 0.0401 1.26 0.451 0.0347 1.03 1.6187 0.995 3082105 TimTec1_001147 COc1cc(/C=N\C2=NN(CC2)c3ccccc3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E04 compound treatment 0.432 0.0201 0.63 0.434 0.0177 0.53 0.8179 0.9959 3209876 TimTec1_001148 C[C@@H]1[C@H](N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N)c4ccc(F)c(Br)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E05 compound treatment 0.39 -0.0219 -0.69 0.399 -0.0173 -0.51 -0.8493 -0.9892 1448274 TimTec1_001149 Cc1ccc2cccc(SC(=O)NCC3CCCO3)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E06 compound treatment 0.394 -0.0179 -0.56 0.405 -0.0113 -0.33 -0.6347 -0.9686 3082108 TimTec1_001150 NC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E07 compound treatment 0.391 -0.0209 -0.66 0.39 -0.0263 -0.78 -1.0157 -0.9965 1046360 TimTec1_001151 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2ccc(=O)[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E08 compound treatment 0.46 0.0481 1.51 0.462 0.0457 1.36 2.0271 0.9985 1129068 TimTec1_001152 CN1CCc2c(nc(OCc3ccccc3Br)c(C#N)c2C1)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E09 compound treatment 0.414 0.00206 0.06 0.43 0.0137 0.41 0.3338 0.8096 3082110 TimTec1_001153 CSc1nc(SCC(=O)c2ccc3OCOc3c2)nc(N)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E10 compound treatment 0.394 -0.0179 -0.56 0.406 -0.0103 -0.3 -0.6137 -0.9579 1730487 TimTec1_001154 Cc1nc(C(=O)N)c(NCC=C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E11 compound treatment 0.399 -0.0129 -0.41 0.406 -0.0103 -0.3 -0.5025 -0.9897 1334043 TimTec1_001155 COc1cc2CCN(Cc2cc1OC)C(=O)Cn3c(C)cc(C)c(C#N)c3=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E12 compound treatment 0.457 0.0451 1.42 0.46 0.0437 1.3 1.9185 0.999 1513685 TimTec1_001156 O=C(c1ccccc1)[C@@]2(C[C@@H](C#N)N3[C@@H]2C=Cc4ccccc34)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E13 compound treatment 0.409 -0.00294 -0.09 0.419 0.00274 0.08 -0.0078 -0.0636 1696559 TimTec1_001157 CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E14 compound treatment 0.434 0.0221 0.69 0.448 0.0317 0.94 1.1557 0.9888 3209877 TimTec1_001158 CCOC(=O)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E15 compound treatment 0.409 -0.00294 -0.09 0.414 -0.00226 -0.07 -0.1126 -0.9875 1628055 TimTec1_001159 OC(=O)c1ccc(cc1)c2cc(c3cccs3)c(C#N)c(SCc4cccs4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E16 compound treatment 0.414 0.00206 0.06 0.412 -0.00426 -0.13 -0.0433 -0.3053 1516512 TimTec1_001160 CC1=C(C(C(=C(S)S1)C#N)c2ccc[nH]2)C(=O)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E17 compound treatment 0.424 0.0121 0.38 0.419 0.00274 0.08 0.3257 0.8395 1382001 TimTec1_001161 COc1cc(OC)cc(c1)C2C(=C(N)Nc3oc(C)nc23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E18 compound treatment 0.395 -0.0169 -0.53 0.396 -0.0203 -0.6 -0.801 -0.9982 3082493 TimTec1_001162 CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E19 compound treatment 0.429 0.0171 0.54 0.43 0.0137 0.41 0.6673 0.9907 3082494 TimTec1_001163 FC(F)(F)c1cc(c2cccs2)c(C#N)c(S)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E20 compound treatment 0.384 -0.0279 -0.88 0.384 -0.0323 -0.96 -1.297 -0.9991 3209878 TimTec1_001164 CC1(C)C(C(=O)Nc2ccccc2C(F)(F)F)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E21 compound treatment 0.434 0.0221 0.69 0.445 0.0287 0.85 1.0928 0.9948 3209879 TimTec1_001165 CC(C)N1C/C(=C\c2ccccc2)/C(=O)\C(=C/c3ccccc3)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E22 compound treatment 0.436 0.0241 0.76 0.429 0.0127 0.38 0.802 0.9484 1473801 TimTec1_001166 CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E23 mock treatment 0.398 -0.0139 -0.44 0.395 -0.0213 -0.63 -0.7553 -0.9843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 E24 mock treatment 0.412 6.45E-5 0.0 0.419 0.00274 0.08 0.0589 0.7245 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F01 compound treatment 0.434 0.0221 0.69 0.442 0.0257 0.76 1.0299 0.9989 1148234 TimTec1_001167 Cc1sc(NC(=O)c2ccccc2)c(C(=O)N3CCCCC3)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F02 compound treatment 0.409 -0.00294 -0.09 0.415 -0.00126 -0.04 -0.0916 -0.9205 3082495 TimTec1_001168 NCc1c[nH]nc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F03 compound treatment 0.421 0.00906 0.29 0.471 0.0547 1.62 1.3485 0.8188 3082496 TimTec1_001169 CCCCC(=O)c1ccc(C)[nH]c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F04 compound treatment 0.421 0.00906 0.29 0.425 0.00874 0.26 0.3847 0.9989 3209880 TimTec1_001170 FC(F)(F)c1cc([nH]c(=S)c1C#N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F05 compound treatment 0.399 -0.0129 -0.41 0.392 -0.0243 -0.72 -0.7959 -0.9636 1552345 TimTec1_001171 OC1CS(=O)(=O)CC1NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F06 compound treatment 0.402 -0.00994 -0.31 0.403 -0.0133 -0.39 -0.4987 -0.9936 3209881 TimTec1_001172 Cn1ncc(Br)c1c2nc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F07 compound treatment 0.395 -0.0169 -0.53 0.397 -0.0193 -0.57 -0.7801 -0.9994 1231705 TimTec1_001173 Clc1c(NCCc2ccccc2)cnn(c3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F08 compound treatment 0.427 0.0151 0.47 0.446 0.0297 0.88 0.9581 0.9576 3082497 TimTec1_001174 COc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F09 compound treatment 0.408 -0.00394 -0.12 0.43 0.0137 0.41 0.2004 0.471 1268647 TimTec1_001175 O=C(Nc1ccccc1)c2c(NC(=O)c3ccccc3)sc4CCCCc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F10 compound treatment 0.399 -0.0129 -0.41 0.403 -0.0133 -0.39 -0.5654 -0.9998 1547144 TimTec1_001176 CC(NC(=O)CSc1nc2CC3=C(CCCC3)c2c(=O)n1C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F11 compound treatment 0.403 -0.00894 -0.28 0.405 -0.0113 -0.33 -0.4346 -0.9964 1204419 TimTec1_001177 CC1CCc2c(C(=O)Nc3ccc(Cl)cc3)c(N)sc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F12 compound treatment 0.407 -0.00494 -0.16 0.405 -0.0113 -0.33 -0.3456 -0.9394 1256297 TimTec1_001178 C(Cc1ccco1)C2NCCn3cccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F13 compound treatment 0.423 0.0111 0.35 0.405 -0.0113 -0.33 0.0101 0.021 1201070 TimTec1_001179 CCOC(=O)c1c(NC(=O)C)sc2CCCCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F14 compound treatment 0.406 -0.00594 -0.19 0.423 0.00674 0.2 0.0093 0.034 1590373 TimTec1_001180 CC(NC(=O)CC(c1ccccc1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F15 compound treatment 0.399 -0.0129 -0.41 0.402 -0.0143 -0.42 -0.5864 -0.9998 1021946 TimTec1_001181 OC(=O)C1CCCN1C(=O)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F16 compound treatment 0.401 -0.0109 -0.34 0.41 -0.00626 -0.19 -0.3743 -0.958 3209882 TimTec1_001182 CCOc1ccc(cc1)N2C(=O)CCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F17 compound treatment 0.403 -0.00894 -0.28 0.423 0.00674 0.2 -0.0574 -0.1665 3209883 TimTec1_001183 CCn1c2C(=O)CCCc2c3cc(Br)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F18 compound treatment 0.399 -0.0129 -0.41 0.416 -2.58E-4 -0.01 -0.293 -0.7203 1674582 TimTec1_001184 OCCN(CC(=O)Nc1ccc(F)cc1)C(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F19 compound treatment 0.38 -0.0319 -1.0 0.395 -0.0213 -0.63 -1.1555 -0.9748 1384058 TimTec1_001185 Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F20 compound treatment 0.404 -0.00794 -0.25 0.405 -0.0113 -0.33 -0.4123 -0.9898 1143739 TimTec1_001186 CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F21 compound treatment 0.39 -0.0219 -0.69 0.39 -0.0263 -0.78 -1.0379 -0.9982 1602491 TimTec1_001187 COC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F22 compound treatment 0.395 -0.0169 -0.53 0.393 -0.0233 -0.69 -0.8639 -0.9919 3082498 TimTec1_001188 Brc1ccc(cc1)C(=O)CN2CCCC2=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F23 mock treatment 0.388 -0.0239 -0.75 0.387 -0.0293 -0.87 -1.1452 -0.9975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 F24 mock treatment 0.439 0.0271 0.85 0.42 0.00374 0.11 0.6802 0.7925 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G01 compound treatment 0.42 0.00806 0.25 0.433 0.0167 0.5 0.5301 0.9515 1278450 TimTec1_001189 CCOC(=O)c1cnn2c(N)c(C#N)cnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G02 compound treatment 0.414 0.00206 0.06 0.413 -0.00326 -0.1 -0.0224 -0.1922 1287956 TimTec1_001190 NC1=C(C#N)C(c2ccccc2Cl)c3c(S1)oc(cc3=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G03 compound treatment 0.421 0.00906 0.29 0.432 0.0157 0.47 0.5314 0.9721 1053983 TimTec1_001191 COC(=O)C1CNc2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G04 compound treatment 0.405 -0.00694 -0.22 0.408 -0.00826 -0.24 -0.3272 -0.9983 3082499 TimTec1_001192 COC(=O)C1=C(N)OC(=C(C#N)C1c2ccncc2)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G05 compound treatment 0.392 -0.0199 -0.63 0.397 -0.0193 -0.57 -0.8468 -0.9989 3209884 TimTec1_001193 CC1=CC(C)(C)CC(=S)N1c2cccc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G06 compound treatment 0.477 0.0651 2.05 0.458 0.0417 1.24 2.3212 0.971 3082500 TimTec1_001194 NC1=C(C#N)C(=C(C#N)C(S1)c2cccs2)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G07 compound treatment 0.402 -0.00994 -0.31 0.401 -0.0153 -0.45 -0.5406 -0.9837 3209885 TimTec1_001195 O=C1CNC(=S)N1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G08 compound treatment 0.415 0.00306 0.1 0.431 0.0147 0.44 0.377 0.8428 1277858 TimTec1_001196 Cc1c2cc(sc2nc3c(O)cc(=O)[nH]c13)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G09 compound treatment 0.401 -0.0109 -0.34 0.394 -0.0223 -0.66 -0.7095 -0.9539 1296353 TimTec1_001197 CCOC(=O)c1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G10 compound treatment 0.42 0.00806 0.25 0.416 -2.58E-4 -0.01 0.1739 0.6855 3209886 TimTec1_001198 OC(=O)c1c(SC(C#N)c2ccc(Cl)cc2)nc(cc1c3ccccc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G11 compound treatment 0.46 0.0481 1.51 0.471 0.0547 1.62 2.2157 0.9994 1298662 TimTec1_001199 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccc3OCCOc3c2)SCC(=O)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G12 compound treatment 0.413 0.00106 0.03 0.408 -0.00826 -0.24 -0.1494 -0.6048 1652210 TimTec1_001200 COC(=O)C1=C(N)OC(=C(C1c2ccc(OC)c(OC)c2)C(=O)OC)CC#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G13 compound treatment 0.414 0.00206 0.06 0.424 0.00774 0.23 0.2081 0.8729 1672888 TimTec1_001201 Oc1cc(=O)c2sc3nc(c4cccnc4)c5CCCCc5c3c2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G14 compound treatment 0.456 0.0441 1.39 0.444 0.0277 0.82 1.561 0.9689 1564023 TimTec1_001202 CC(C)c1ccc(cc1)C2C3CN(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G15 compound treatment 0.468 0.0561 1.76 0.455 0.0387 1.15 2.0583 0.9784 3210009 TimTec1_001203 COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C2C=C1)(C(=O)OC)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G16 compound treatment 0.401 -0.0109 -0.34 0.402 -0.0143 -0.42 -0.5419 -0.9948 1397215 TimTec1_001204 CCNC(=O)c1sc(C)nc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G17 compound treatment 0.415 0.00306 0.1 0.415 -0.00126 -0.04 0.0418 0.4043 3082503 TimTec1_001205 CSc1nc(SCC(=O)C(C)C)nc(N)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G18 compound treatment 0.39 -0.0219 -0.69 0.401 -0.0153 -0.45 -0.8074 -0.979 1115621 TimTec1_001206 CC(=O)Nc1nc2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G19 compound treatment 0.451 0.0391 1.23 0.468 0.0517 1.53 1.9527 0.994 3210010 TimTec1_001207 NC1=C(C#N)C(c2ccc(Br)cc2)c3c(N1)c4ccccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G20 compound treatment 0.386 -0.0259 -0.82 0.392 -0.0243 -0.72 -1.0849 -0.998 1129886 TimTec1_001208 CC1(C)C(C(=O)Nc2ccccc2C#N)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G21 compound treatment 0.405 -0.00694 -0.22 0.421 0.00474 0.14 -0.0548 -0.2114 1646804 TimTec1_001209 CC1=CC(=C(C#N)C(=S)C1CC(=O)c2cccs2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G22 compound treatment 0.38 -0.0319 -1.0 0.393 -0.0233 -0.69 -1.1974 -0.9831 1362352 TimTec1_001210 Cc1ccc(cc1)S(=O)(=O)N(CCO)c2cc3CCCCc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G23 mock treatment 0.394 -0.0179 -0.56 0.394 -0.0223 -0.66 -0.8651 -0.997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 G24 mock treatment 0.418 0.00606 0.19 0.41 -0.00626 -0.19 0.0037 0.014 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H01 compound treatment 0.568 0.156 4.91 0.459 0.0427 1.27 4.3655 0.8614 1120313 TimTec1_001211 Cn1c2C(=O)CCCCc2c3cc(ccc13)C4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H02 compound treatment 0.49 0.0781 2.45 0.489 0.0727 2.16 3.2598 0.9979 3082508 TimTec1_001212 CC/1=NN(C(=O)\C1=C/c2c[nH]nc2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H03 compound treatment 0.398 -0.0139 -0.44 0.4 -0.0163 -0.48 -0.6505 -0.9989 1013623 TimTec1_001213 NC(=O)c1nnn(Cc2ccccc2)c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H04 compound treatment 0.428 0.0161 0.51 0.435 0.0187 0.56 0.7499 0.9989 3210011 TimTec1_001214 FC(F)(F)c1cc(oc(=S)c1C#N)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H05 compound treatment 0.43 0.0181 0.57 0.433 0.0167 0.5 0.7524 0.9977 1733044 TimTec1_001215 NC(=O)c1ccc(nc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H06 compound treatment 0.411 -9.35E-4 -0.03 0.416 -2.58E-4 -0.01 -0.0262 -0.8623 1733896 TimTec1_001216 O=C(NCCC(c1ccccc1)c2ccccc2)c3cc4ccccc4c(=O)o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H07 compound treatment 0.395 -0.0169 -0.53 0.4 -0.0163 -0.48 -0.7172 -0.9988 1785401 TimTec1_001217 Clc1c(NCC2CCCO2)cn[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H08 compound treatment 0.4 -0.0119 -0.38 0.403 -0.0133 -0.39 -0.5432 -0.9997 3210012 TimTec1_001218 Cc1cc(C)c(C(=O)N2Cc3ccccc3N=C2S)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H09 compound treatment 0.39 -0.0219 -0.69 0.404 -0.0123 -0.36 -0.7446 -0.9551 1181388 TimTec1_001219 O=C(Nc1ccccc1)C(=C2CCCC2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H10 compound treatment 0.4 -0.0119 -0.38 0.414 -0.00226 -0.07 -0.3127 -0.8202 1174029 TimTec1_001220 C(N1CCN(Cc2ccccc2)C1c3ccco3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H11 compound treatment 0.416 0.00406 0.13 0.402 -0.0143 -0.42 -0.2084 -0.4721 1687568 TimTec1_001221 O=C(Nc1ccccc1C(=O)Nc2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H12 compound treatment 0.401 -0.0109 -0.34 0.414 -0.00226 -0.07 -0.2905 -0.8292 1393827 TimTec1_001222 CCc1ccc(cc1)C(=O)CC2OC(=O)c3c2ccc(OC)c3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H13 compound treatment 0.395 -0.0169 -0.53 0.403 -0.0133 -0.39 -0.6543 -0.9888 1145002 TimTec1_001223 CCC(=O)Nc1sc2CCCCCc2c1C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H14 compound treatment 0.464 0.0521 1.64 0.472 0.0557 1.65 2.3255 1.0 3210013 TimTec1_001224 Clc1ccc(SC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H15 compound treatment 0.408 -0.00394 -0.12 0.398 -0.0183 -0.54 -0.4701 -0.847 1022241 TimTec1_001225 O=C1CCN(N1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H16 compound treatment 0.394 -0.0179 -0.56 0.4 -0.0163 -0.48 -0.7394 -0.9969 3082550 TimTec1_001226 CC(C)(C)c1ccc(cc1)N2C(=O)CCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H17 compound treatment 0.411 -9.35E-4 -0.03 0.414 -0.00226 -0.07 -0.0681 -0.9319 3210014 TimTec1_001227 N/N=C/1\CCCc2c1[nH]c3ccc(cc23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H18 compound treatment 0.38 -0.0319 -1.0 0.392 -0.0243 -0.72 -1.2183 -0.9866 1154220 TimTec1_001228 Cc1n[nH]c2oc(=O)c(Cc3cccc(C)c3)c(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H19 compound treatment 0.393 -0.0189 -0.6 0.412 -0.00426 -0.13 -0.5102 -0.8383 1503917 TimTec1_001229 Clc1ccc(cc1)C(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H20 compound treatment 0.4 -0.0119 -0.38 0.406 -0.0103 -0.3 -0.4803 -0.9945 1445779 TimTec1_001230 Fc1ccc(CSc2nc3ccccc3c(=O)n2c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H21 compound treatment 0.402 -0.00994 -0.31 0.391 -0.0253 -0.75 -0.7501 -0.9249 1530713 TimTec1_001231 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H22 compound treatment 0.408 -0.00394 -0.12 0.396 -0.0203 -0.6 -0.512 -0.8353 3082554 TimTec1_001232 FC(F)(F)C1=Nc2ccccc2N(C1)c3ccc(Cl)c(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H23 mock treatment 0.408 -0.00394 -0.12 0.396 -0.0203 -0.6 -0.512 -0.8353 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 H24 mock treatment 0.427 0.0151 0.47 0.422 0.00574 0.17 0.4553 0.9045 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I01 compound treatment 0.439 0.0271 0.85 0.439 0.0227 0.67 1.0783 0.9933 1641212 TimTec1_001233 Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I02 compound treatment 0.412 6.45E-5 0.0 0.41 -0.00626 -0.19 -0.1297 -0.6993 1202800 TimTec1_001234 CC1=C(C#N)C(C(=C(N)O1)C(=O)OCc2ccccc2)c3cc(F)ccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I03 compound treatment 0.392 -0.0199 -0.63 0.405 -0.0113 -0.33 -0.6791 -0.9564 1249954 TimTec1_001235 CC(C)c1ccc(C)cc1OCc2ccc(N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I04 compound treatment 0.396 -0.0159 -0.5 0.405 -0.0113 -0.33 -0.5902 -0.9805 3210015 TimTec1_001236 COc1cc(OCCN2CCOCC2)ccc1C3C(=C(N)Oc4[nH]c(nc34)C(F)(F)F)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I05 compound treatment 0.394 -0.0179 -0.56 0.389 -0.0273 -0.81 -0.9699 -0.9846 3082557 TimTec1_001237 CC(C)c1ccc(cc1)N2C(=CC(C)(C)NC2=S)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I06 compound treatment 0.402 -0.00994 -0.31 0.395 -0.0213 -0.63 -0.6663 -0.9477 1171191 TimTec1_001238 CCCc1n[nH]c2N(C(=C(C#N)C(c3c(C)onc3Cl)c12)N)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I07 compound treatment 0.404 -0.00794 -0.25 0.412 -0.00426 -0.13 -0.2657 -0.9501 1003607 TimTec1_001239 OC(=O)c1cc(nc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I08 compound treatment 0.392 -0.0199 -0.63 0.408 -0.00826 -0.24 -0.6163 -0.9158 1696034 TimTec1_001240 CC(C)OC(=O)c1cc(N)c2c(c(sc2n1)c3cccs3)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I09 compound treatment 0.394 -0.0179 -0.56 0.395 -0.0213 -0.63 -0.8442 -0.9985 3082561 TimTec1_001241 NC(=O)COc1ccc(cc1)C2C(=C(N)Oc3[nH]c(nc23)c4ccccc4)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I10 compound treatment 0.364 -0.0479 -1.51 0.375 -0.0413 -1.22 -1.9303 -0.9946 1275672 TimTec1_001242 CC(C)(C)c1cc(c2cccs2)c(C#N)c(SCC(=O)Oc3ccccc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I11 compound treatment 0.418 0.00606 0.19 0.427 0.0107 0.32 0.3599 0.97 1564906 TimTec1_001243 COCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccccc3COc4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I12 compound treatment 0.395 -0.0169 -0.53 0.401 -0.0153 -0.45 -0.6962 -0.9967 1280361 TimTec1_001244 CC(C)(C)c1nc2C(C(=C(N)Nc2o1)C(=O)N)c3ccc(OCC#N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I13 compound treatment 0.411 -9.35E-4 -0.03 0.423 0.00674 0.2 0.1205 0.5966 1705544 TimTec1_001245 CC(C)c1ccc(cc1)C2C(=C(N)Oc3[nH]c(C)nc23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I14 compound treatment 0.398 -0.0139 -0.44 0.411 -0.00526 -0.16 -0.42 -0.9031 1235982 TimTec1_001246 CC1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)C(=O)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I15 compound treatment 0.39 -0.0219 -0.69 0.402 -0.0143 -0.42 -0.7865 -0.9723 1422848 TimTec1_001247 COC(=O)C1=C(C)Oc2oc(C)cc(=O)c2C1c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I16 compound treatment 0.47 0.0581 1.83 0.47 0.0537 1.59 2.417 0.9977 1729172 TimTec1_001248 Nc1sc(NCC=C)c(C(=O)c2ccc(Br)s2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I17 compound treatment 0.398 -0.0139 -0.44 0.405 -0.0113 -0.33 -0.5457 -0.9909 1693885 TimTec1_001249 CCCc1nc2C(C(=C(N)Oc2o1)C#N)c3cccc(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I18 compound treatment 0.405 -0.00694 -0.22 0.401 -0.0153 -0.45 -0.4739 -0.9441 1371394 TimTec1_001250 Clc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I19 compound treatment 0.417 0.00506 0.16 0.421 0.00474 0.14 0.212 0.9981 3210016 TimTec1_001251 CC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I20 compound treatment 0.381 -0.0309 -0.97 0.4 -0.0163 -0.48 -1.0285 -0.9475 3082567 TimTec1_001252 CC1(C)C(C(=O)Nc2nccs2)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I21 compound treatment 0.545 0.133 4.18 0.567 0.151 4.47 6.117 0.9995 3210017 TimTec1_001253 COCCC(=O)C1=CSC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I22 compound treatment 0.397 -0.0149 -0.47 0.388 -0.0283 -0.84 -0.9242 -0.9626 3082601 TimTec1_001254 O=c1n2CCCc2nc3scc(c4ccccc4)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I23 mock treatment 0.398 -0.0139 -0.44 0.401 -0.0153 -0.45 -0.6295 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 I24 mock treatment 0.411 -9.35E-4 -0.03 0.409 -0.00726 -0.22 -0.1729 -0.7964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J01 compound treatment 0.428 0.0161 0.51 0.433 0.0167 0.5 0.708 1.0 1686618 TimTec1_001255 COC(=O)C1(CC2(CC3(CC(C1)(C(=O)OC)C2=O)C(=O)OC)C(=O)OC)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J02 compound treatment 0.547 0.135 4.25 0.552 0.136 4.02 5.8472 0.9996 3210018 TimTec1_001256 CCOc1cc(/C=C\2/SC(=N)N(C2=O)c3nccs3)ccc1OCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J03 compound treatment 0.407 -0.00494 -0.16 0.415 -0.00126 -0.04 -0.1361 -0.8527 1190635 TimTec1_001257 CC1OC(NC(=O)c2ccccc2F)C(NC(=O)c3ccccc3F)OC1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J04 compound treatment 0.419 0.00706 0.22 0.427 0.0107 0.32 0.3821 0.9845 1013629 TimTec1_001258 OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J05 compound treatment 0.385 -0.0269 -0.85 0.389 -0.0273 -0.81 -1.17 -0.9997 3082606 TimTec1_001259 Clc1ccc(OCCCC(=O)Nc2ccc3OCCOc3c2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J06 compound treatment 0.447 0.0351 1.1 0.439 0.0227 0.67 1.2561 0.9721 3210135 TimTec1_001260 N/C(=N/C#N)/c1sc2nc3CCCCCc3cc2c1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J07 compound treatment 0.387 -0.0249 -0.78 0.395 -0.0213 -0.63 -0.9998 -0.9941 3082608 TimTec1_001261 CN(C)CCNc1cn[nH]c(=O)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J08 compound treatment 0.404 -0.00794 -0.25 0.4 -0.0163 -0.48 -0.5171 -0.9531 3210136 TimTec1_001262 CS(=O)(=O)NCCOc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J09 compound treatment 0.412 6.45E-5 0.0 0.426 0.00974 0.29 0.2056 0.7121 1582682 TimTec1_001263 OC(=O)c1ccccc1NC(=O)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J10 compound treatment 0.401 -0.0109 -0.34 0.41 -0.00626 -0.19 -0.3743 -0.958 1203455 TimTec1_001264 Nc1ccc(cc1)C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J11 compound treatment 0.411 -9.35E-4 -0.03 0.408 -0.00826 -0.24 -0.1938 -0.7864 1327302 TimTec1_001265 Cc1ccccc1NC(=O)c2ccccc2NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J12 compound treatment 0.442 0.0301 0.95 0.432 0.0157 0.47 0.9983 0.947 1350742 TimTec1_001266 OC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J13 compound treatment 0.493 0.0811 2.55 0.484 0.0677 2.01 3.2218 0.993 1127240 TimTec1_001267 CNC(=O)c1c(N)sc2CCCCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J14 compound treatment 0.441 0.0291 0.91 0.449 0.0327 0.97 1.3322 0.9996 3210137 TimTec1_001268 CC(C)(C)c1ccc(cc1)C(=O)CC(N2CCCCC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J15 compound treatment 0.404 -0.00794 -0.25 0.397 -0.0193 -0.57 -0.5799 -0.9312 1913738 TimTec1_001269 Oc1ccc(/C=N/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J16 compound treatment 0.403 -0.00894 -0.28 0.402 -0.0143 -0.42 -0.4974 -0.9804 1404011 TimTec1_001270 O=C(Cc1ccccc1)Oc2ccc(cc2)C3SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J17 compound treatment 0.425 0.0131 0.41 0.43 0.0137 0.41 0.5784 1.0 1230646 TimTec1_001271 C1CCC(CC1)c2ccc3c(c2)c4CCCc5nccn3c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J18 compound treatment 0.406 -0.00594 -0.19 0.412 -0.00426 -0.13 -0.2212 -0.9818 3210138 TimTec1_001272 Clc1ccc(CSC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J19 compound treatment 0.396 -0.0159 -0.5 0.4 -0.0163 -0.48 -0.695 -0.9998 1613380 TimTec1_001273 CN1C(=O)COc2ccc(cc12)C(=O)c3ccccc3C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J20 compound treatment 0.406 -0.00594 -0.19 0.42 0.00374 0.11 -0.0536 -0.2467 1384728 TimTec1_001274 COc1ccc(NCC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J21 compound treatment 0.414 0.00206 0.06 0.404 -0.0123 -0.36 -0.2109 -0.5717 3210139 TimTec1_001275 COc1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J22 compound treatment 0.359 -0.0529 -1.66 0.36 -0.0563 -1.67 -2.3557 -1.0 3082616 TimTec1_001276 SC1=Nc2ccccc2CN1C(=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J23 mock treatment 0.401 -0.0109 -0.34 0.394 -0.0223 -0.66 -0.7095 -0.9539 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 J24 mock treatment 0.436 0.0241 0.76 0.417 7.42E-4 0.02 0.5506 0.7273 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K01 compound treatment 0.43 0.0181 0.57 0.445 0.0287 0.85 1.0039 0.9806 3210140 TimTec1_001277 N=c1sc(C(=O)c2ccccc2)c3scc(c4ccccc4)n13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K02 compound treatment 0.462 0.0501 1.57 0.457 0.0407 1.21 1.9668 0.9914 1261528 TimTec1_001278 COc1cc(OC)cc(c1)C2C(=C(N)OC(=C2C#N)N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K03 compound treatment 0.418 0.00606 0.19 0.417 7.42E-4 0.02 0.1504 0.7834 1566998 TimTec1_001279 COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K04 compound treatment 0.461 0.0491 1.54 0.448 0.0317 0.94 1.756 0.9718 1394262 TimTec1_001280 COC(=O)[C@H]1[C@H](c2ccccc2)[C@@](C#N)([C@@H]3C=CC(=C(C)N13)C(=O)OC)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K05 compound treatment 0.419 0.00706 0.22 0.429 0.0127 0.38 0.424 0.968 1004876 TimTec1_001281 OC(=O)c1cc(=O)cc(o1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K06 compound treatment 0.404 -0.00794 -0.25 0.407 -0.00926 -0.27 -0.3704 -0.9989 3082619 TimTec1_001282 Cc1nc(/C=C(/N)\C#N)cn1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K07 compound treatment 0.41 -0.00194 -0.06 0.418 0.00174 0.05 -0.0065 -0.0819 1429878 TimTec1_001283 COc1ccc2CCC(CC3(O)C(=O)Nc4ccccc43)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K08 compound treatment 0.424 0.0121 0.38 0.432 0.0157 0.47 0.5981 0.9947 1203304 TimTec1_001284 Cc1sc2nc(cc(N)c2c1C)C(=O)Oc3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K09 compound treatment 0.408 -0.00394 -0.12 0.405 -0.0113 -0.33 -0.3234 -0.9089 3210142 TimTec1_001285 NC(=S)/C(=C\Nc1ccccc1C#N)/C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K10 compound treatment 0.413 0.00106 0.03 0.42 0.00374 0.11 0.1021 0.8813 1195774 TimTec1_001286 CC(C)c1ccc(cc1)C2C(=C(Oc3[nH]c(C)nc23)C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K11 compound treatment 0.402 -0.00994 -0.31 0.407 -0.00926 -0.27 -0.4149 -0.9979 1673016 TimTec1_001287 COc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccc(OC(C)C)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K12 compound treatment 0.437 0.0251 0.79 0.441 0.0247 0.73 1.0757 0.9993 1572307 TimTec1_001288 CCCN1CC=C2C(C#N)(C#N)C(=C(C#N)C(c3ccc(OCC(=O)N)cc3)C2(C)C1)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K13 compound treatment 0.437 0.0251 0.79 0.416 -2.58E-4 -0.01 0.5519 0.7002 1290293 TimTec1_001289 Cc1nc2c(OC(=C(C#N)C32CCC(CC3)c4ccccc4)N)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K14 compound treatment 0.477 0.0651 2.05 0.456 0.0397 1.18 2.2793 0.9656 1495492 TimTec1_001290 CC(C)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K15 compound treatment 0.416 0.00406 0.13 0.409 -0.00726 -0.22 -0.0617 -0.2467 1213258 TimTec1_001291 CCOC(=O)C(C#N)C(c1[nH]c(C)nc1O)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K16 compound treatment 0.415 0.00306 0.1 0.41 -0.00626 -0.19 -0.063 -0.3014 1320005 TimTec1_001292 CCCc1cc(ccc1OC(C)C)C2C(=C(N)Nc3oc(OC)nc23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K17 compound treatment 0.407 -0.00494 -0.16 0.407 -0.00926 -0.27 -0.3037 -0.9636 1432035 TimTec1_001293 CC1(C)CC(=O)C2=C(C1)N(Cc3ccccc3)C(=C(C#N)C42CCOCC4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K18 compound treatment 0.401 -0.0109 -0.34 0.414 -0.00226 -0.07 -0.2905 -0.8292 1488829 TimTec1_001294 Clc1cccc(c1)C(=O)N(Cc2ccccc2)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K19 compound treatment 0.437 0.0251 0.79 0.44 0.0237 0.7 1.0547 0.9984 3210143 TimTec1_001295 Fc1ccc(cc1)C(=O)[C@@H]2[C@@H](C#N)[C@@](C#N)([C@@H]3N2C=Cc4ccccc34)C(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K20 compound treatment 0.404 -0.00794 -0.25 0.409 -0.00726 -0.22 -0.3285 -0.9973 1628961 TimTec1_001296 CC1(C)C(C(=O)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)C4C(C)(C)C4(C)C)cc3)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K21 compound treatment 0.406 -0.00594 -0.19 0.404 -0.0123 -0.36 -0.3888 -0.9521 1142263 TimTec1_001297 COC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(OC(C)C)c(OC)c2)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K22 compound treatment 0.397 -0.0149 -0.47 0.395 -0.0213 -0.63 -0.7775 -0.9895 1427516 TimTec1_001298 O=C(N1CN(Cc2c3CCCCc3sc12)C4CCCCC4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K23 mock treatment 0.406 -0.00594 -0.19 0.4 -0.0163 -0.48 -0.4726 -0.9148 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 K24 mock treatment 0.426 0.0141 0.44 0.42 0.00374 0.11 0.3911 0.8578 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L01 compound treatment 0.444 0.0321 1.01 0.44 0.0237 0.7 1.2104 0.9845 1725268 TimTec1_001299 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3ccn(n3)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L02 compound treatment 0.454 0.0421 1.32 0.451 0.0347 1.03 1.6632 0.9923 3082669 TimTec1_001300 N=C1S/C(=C/c2ccco2)/C(=O)N1c3nccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L03 compound treatment 0.396 -0.0159 -0.5 0.397 -0.0193 -0.57 -0.7578 -0.9979 1704974 TimTec1_001301 COC1C(OC)N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L04 compound treatment 0.433 0.0211 0.66 0.449 0.0327 0.97 1.1544 0.9827 1126229 TimTec1_001302 CC(C)(C)c1cc(O)cc(c1CN2CCN(CCN)CC2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L05 compound treatment 0.382 -0.0299 -0.94 0.39 -0.0263 -0.78 -1.2158 -0.9955 3210144 TimTec1_001303 O=C1CN2C(=C1c3nc4ccccc4c(=O)[nH]3)NC(=O)c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L06 compound treatment 0.407 -0.00494 -0.16 0.399 -0.0173 -0.51 -0.4713 -0.882 1508923 TimTec1_001304 CN1CCC2(CC1)C(=C(N)Oc3n[nH]c(C(=O)OC(C)(C)C)c32)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L07 compound treatment 0.4 -0.0119 -0.38 0.41 -0.00626 -0.19 -0.3965 -0.9472 1206601 TimTec1_001305 O=c1[nH]nc(c2ccccc2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L08 compound treatment 0.392 -0.0199 -0.63 0.402 -0.0143 -0.42 -0.742 -0.9816 3210145 TimTec1_001306 COC(=O)c1ccc2ccccc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L09 compound treatment 0.409 -0.00294 -0.09 0.413 -0.00326 -0.1 -0.1335 -0.9997 1306892 TimTec1_001307 OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc3CCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L10 compound treatment 0.393 -0.0189 -0.6 0.407 -0.00926 -0.27 -0.615 -0.9381 1170047 TimTec1_001308 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L11 compound treatment 0.404 -0.00794 -0.25 0.4 -0.0163 -0.48 -0.5171 -0.9531 1153508 TimTec1_001309 CCc1nc2ccccc2c(=O)n1c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L12 compound treatment 0.455 0.0431 1.35 0.451 0.0347 1.03 1.6854 0.9909 1500311 TimTec1_001310 OC(=O)c1cc(O)nc2c(Cl)cccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L13 compound treatment 0.408 -0.00394 -0.12 0.413 -0.00326 -0.1 -0.1558 -0.9925 1714700 TimTec1_001311 CCOc1ccc(NC(=O)C(=C2CCCCCC2)C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L14 compound treatment 0.442 0.0301 0.95 0.445 0.0287 0.85 1.2707 0.9986 3210146 TimTec1_001312 CN1CCN(CC1)C(CC(=O)c2ccc(C)cc2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L15 compound treatment 0.4 -0.0119 -0.38 0.407 -0.00926 -0.27 -0.4594 -0.9881 3082677 TimTec1_001313 C/C(=C/c1ccccc1)/C=N/c2c(C)n(C)n(c3ccccc3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L16 compound treatment 0.408 -0.00394 -0.12 0.402 -0.0143 -0.42 -0.3862 -0.8774 3210147 TimTec1_001314 Clc1ccccc1C(=O)Oc2ccc(cc2)C3SCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L17 compound treatment 0.408 -0.00394 -0.12 0.394 -0.0223 -0.66 -0.5539 -0.8254 3082679 TimTec1_001315 Clc1nsnc1N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L18 compound treatment 0.399 -0.0129 -0.41 0.404 -0.0123 -0.36 -0.5444 -0.9984 1080207 TimTec1_001316 CCn1c(=O)c2ccccc2[nH]c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L19 compound treatment 0.419 0.00706 0.22 0.42 0.00374 0.11 0.2355 0.9485 1587528 TimTec1_001317 Clc1nc2ccccc2n3c(nnc13)c4coc5ccccc5c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L20 compound treatment 0.461 0.0491 1.54 0.465 0.0487 1.44 2.1122 0.9995 3082732 TimTec1_001318 OC(=O)C(CC(=O)c1ccc(Cl)cc1)Sc2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L21 compound treatment 0.386 -0.0259 -0.82 0.4 -0.0163 -0.48 -0.9173 -0.9685 3210266 TimTec1_001319 N#Cc1c(SC2CCCC2)nsc1SC3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L22 compound treatment 0.387 -0.0249 -0.78 0.399 -0.0173 -0.51 -0.916 -0.9786 3210267 TimTec1_001320 Cc1n(C)c(c[n+]1c2c3CCCCCn3n(c4ccccc4)c2=O)c5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L23 mock treatment 0.392 -0.0199 -0.63 0.399 -0.0173 -0.51 -0.8048 -0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 L24 mock treatment 0.418 0.00606 0.19 0.426 0.00974 0.29 0.339 0.9797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M01 compound treatment 0.465 0.0531 1.67 0.456 0.0397 1.18 2.0125 0.9854 3082736 TimTec1_001321 Cc1ccc(cc1)S(=O)(=O)N2CCC(=C(O)c3ccccc23)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M02 compound treatment 0.44 0.0281 0.88 0.44 0.0237 0.7 1.1214 0.9937 3210268 TimTec1_001322 Cc1nc2C(C(=C(N)N(c2o1)c3ccccc3)C#N)c4c(C)n(nc4Cl)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M03 compound treatment 0.42 0.00806 0.25 0.427 0.0107 0.32 0.4044 0.9937 3082738 TimTec1_001323 Nc1cc(ccc1Oc2ccc(cc2)C3CCCCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M04 compound treatment 0.454 0.0421 1.32 0.439 0.0227 0.67 1.4118 0.951 1129265 TimTec1_001324 OC(=O)c1c(SCc2ccc(C#N)cc2)nc(c3cccs3)c4CCCCc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M05 compound treatment 0.407 -0.00494 -0.16 0.398 -0.0183 -0.54 -0.4923 -0.8747 1016658 TimTec1_001325 C[N+](C)(C)CCOC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M06 compound treatment 0.446 0.0341 1.07 0.453 0.0367 1.09 1.5272 1.0 1533994 TimTec1_001326 NC1=C(C#N)C(c2c(noc2N1)c3cccc(O)c3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M07 compound treatment 0.394 -0.0179 -0.56 0.384 -0.0323 -0.96 -1.0747 -0.9683 1273967 TimTec1_001327 CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M08 compound treatment 0.442 0.0301 0.95 0.44 0.0237 0.7 1.1659 0.9894 1285313 TimTec1_001328 CC(C)(C)C1CCC2(CC1)C(C#N)C2(C#N)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M09 compound treatment 0.454 0.0421 1.32 0.456 0.0397 1.18 1.768 0.9983 1588817 TimTec1_001329 CNc1sc(C(=O)CC=C)c(N)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M10 compound treatment 0.424 0.0121 0.38 0.433 0.0167 0.5 0.619 0.9912 1441689 TimTec1_001330 CCOC(=O)c1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M11 compound treatment 0.415 0.00306 0.1 0.409 -0.00726 -0.22 -0.0839 -0.3562 1280958 TimTec1_001331 CCOc1ccc(cc1OC)C2C=C(N)Oc3[nH]c(COC)nc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M12 compound treatment 0.432 0.0201 0.63 0.429 0.0127 0.38 0.7131 0.9699 1479215 TimTec1_001332 CCc1ccc(cc1)N2C(=C(C#N)C(c3c(C)noc23)c4cccc(Cl)c4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M13 compound treatment 0.404 -0.00794 -0.25 0.41 -0.00626 -0.19 -0.3076 -0.9893 3082744 TimTec1_001333 N#C/C=C/N(C#N)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M14 compound treatment 0.427 0.0151 0.47 0.43 0.0137 0.41 0.6229 0.9972 1118063 TimTec1_001334 CCOC(=O)C1C(=C(OC(=C1C#N)N)c2ccc(Cl)cc2)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M15 compound treatment 0.428 0.0161 0.51 0.429 0.0127 0.38 0.6242 0.9897 3082746 TimTec1_001335 CCOC(=O)N1CCC2(CC1)C(=C(C)Nc3oc(C)nc32)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M16 compound treatment 0.399 -0.0129 -0.41 0.412 -0.00426 -0.13 -0.3768 -0.8849 3210269 TimTec1_001336 CCCc1nc2c(o1)N(C(=O)OCC)C(=C(C#N)C32CCNCC3)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M17 compound treatment 0.425 0.0131 0.41 0.423 0.00674 0.2 0.4317 0.9451 1631479 TimTec1_001337 CC(C)N1C(=C(C#N)C2(CCNCC2)C(C#N)C1=O)S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M18 compound treatment 0.416 0.00406 0.13 0.423 0.00674 0.2 0.2316 0.9767 3210270 TimTec1_001338 CCN(CC)C(=O)c1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M19 compound treatment 0.426 0.0141 0.44 0.432 0.0157 0.47 0.6425 0.9996 1388678 TimTec1_001339 COc1cc(ccc1OCCN2CCOCC2)C3C(=C(C)Nc4oc(C)nc34)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M20 compound treatment 0.403 -0.00894 -0.28 0.415 -0.00126 -0.04 -0.225 -0.794 3082750 TimTec1_001340 CCOC(=O)c1oc2ccc(/C=N\C(C)(C)C)c(Cl)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M21 compound treatment 0.454 0.0421 1.32 0.459 0.0427 1.27 1.8308 0.9998 3210271 TimTec1_001341 COC(=O)C1=C(OC(=C(C#N)C1c2ccccc2c3ccccc3)C)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M22 compound treatment 0.439 0.0271 0.85 0.447 0.0307 0.91 1.2459 0.9994 1636367 TimTec1_001342 CCCCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M23 mock treatment 0.407 -0.00494 -0.16 0.422 0.00574 0.17 0.0106 0.0459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 M24 mock treatment 0.426 0.0141 0.44 0.437 0.0207 0.61 0.7473 0.987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N01 compound treatment 0.493 0.0811 2.55 0.506 0.0897 2.66 3.6827 0.9998 3210272 TimTec1_001343 CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N02 compound treatment 0.453 0.0411 1.29 0.438 0.0217 0.64 1.3686 0.9484 3082752 TimTec1_001344 Nc1nonc1N2C(=N)S/C(=C/c3ccccc3)/C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N03 compound treatment 0.382 -0.0299 -0.94 0.372 -0.0443 -1.31 -1.5929 -0.9868 1211420 TimTec1_001345 COc1ccc(cc1)C(=O)N2c3ccccc3CCc4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N04 compound treatment 0.419 0.00706 0.22 0.407 -0.00926 -0.27 -0.0369 -0.1046 1688649 TimTec1_001346 CC(=O)Nc1[nH]c2CCCCCc2c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N05 compound treatment 0.395 -0.0169 -0.53 0.395 -0.0213 -0.63 -0.822 -0.9965 1368911 TimTec1_001347 Clc1c(NCc2ccco2)cnn(c3ccccc3)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N06 compound treatment 0.402 -0.00994 -0.31 0.409 -0.00726 -0.22 -0.373 -0.9834 1227629 TimTec1_001348 COc1ccc(NC2CS(=O)(=O)CC2OC(=O)c3ccc(F)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N07 compound treatment 0.419 0.00706 0.22 0.416 -2.58E-4 -0.01 0.1517 0.6824 1520272 TimTec1_001349 O=C(Cc1ccccc1)Nc2c(cnn2c3ccccc3)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N08 compound treatment 0.419 0.00706 0.22 0.417 7.42E-4 0.02 0.1726 0.7733 1561090 TimTec1_001350 Cc1cc2nc(SCC(=O)NN)[nH]c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N09 compound treatment 0.423 0.0111 0.35 0.419 0.00274 0.08 0.3035 0.8494 1634252 TimTec1_001351 O=C(Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2)c4ccccn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N10 compound treatment 0.417 0.00506 0.16 0.407 -0.00926 -0.27 -0.0814 -0.2565 1534295 TimTec1_001352 COc1ccc(NC(=O)c2cccs2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N11 compound treatment 0.388 -0.0239 -0.75 0.387 -0.0293 -0.87 -1.1452 -0.9975 3082818 TimTec1_001353 FC(F)(F)c1nc2ccccc2c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N12 compound treatment 0.419 0.00706 0.22 0.422 0.00574 0.17 0.2774 0.9913 3210273 TimTec1_001354 Cc1cc(OCc2ccc(Br)cc2)nc(n1)c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N13 compound treatment 0.41 -0.00194 -0.06 0.414 -0.00226 -0.07 -0.0903 -0.9989 1039615 TimTec1_001355 O=c1n(c2ccccc2)c(nc3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N14 compound treatment 0.435 0.0231 0.73 0.432 0.0157 0.47 0.8427 0.9772 3210274 TimTec1_001356 FC(F)(F)c1cc(NC(=O)C(=S)NCc2ccco2)ccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N15 compound treatment 0.432 0.0201 0.63 0.424 0.00774 0.23 0.6083 0.9062 3210275 TimTec1_001357 CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N16 compound treatment 0.402 -0.00994 -0.31 0.4 -0.0163 -0.48 -0.5616 -0.978 3082822 TimTec1_001358 Cc1sc(Cc2ccc(Cl)cc2)nc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N17 compound treatment 0.414 0.00206 0.06 1.395 0.979 29.0 20.5532 0.7087 3082824 TimTec1_001359 N=C1SCC(=O)N1c2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N18 compound treatment 0.413 0.00106 0.03 0.426 0.00974 0.29 0.2278 0.7838 3210276 TimTec1_001360 CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc3ccccc3c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N19 compound treatment 0.447 0.0351 1.1 0.446 0.0297 0.88 1.4028 0.9938 1136080 TimTec1_001361 OC(c1oc2ccccc2c1c3cnn(c3)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N20 compound treatment 0.433 0.0211 0.66 0.429 0.0127 0.38 0.7353 0.9645 3210277 TimTec1_001362 FC(F)(F)c1cccc(c1)c2nc3ccccc3c(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N21 compound treatment 0.414 0.00206 0.06 0.422 0.00574 0.17 0.1662 0.9127 3210278 TimTec1_001363 FC(F)(F)c1cc(NC(=O)C(=S)NCCNc2cccc3ccccc23)cc(c1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N22 compound treatment 0.405 -0.00694 -0.22 0.397 -0.0193 -0.57 -0.5577 -0.9129 3082828 TimTec1_001364 COc1ccc(cc1)c2cs/c(=N\Cc3ccccc3)/[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N23 mock treatment 0.4 -0.0119 -0.38 0.413 -0.00326 -0.1 -0.3336 -0.861 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 N24 mock treatment 0.43 0.0181 0.57 0.434 0.0177 0.53 0.7734 0.9993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O01 compound treatment 0.476 0.0641 2.01 0.473 0.0567 1.68 2.6133 0.996 1081644 TimTec1_001365 COc1cc2CCN=C(CC#N)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O02 compound treatment 0.461 0.0491 1.54 0.466 0.0497 1.47 2.1331 0.9997 1714891 TimTec1_001366 COc1cc(OC)cc(c1)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@H]3N2C=Cc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O03 compound treatment 0.402 -0.00994 -0.31 0.405 -0.0113 -0.33 -0.4568 -0.9995 3082830 TimTec1_001367 CSc1nnc(c2ccccc2)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O04 compound treatment 0.421 0.00906 0.29 0.417 7.42E-4 0.02 0.2171 0.7594 3210280 TimTec1_001368 CC(C)(C)OC(=O)N1C(=C(C#N)C2(CCOCC2)c3nc([nH]c13)C(F)(F)F)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O05 compound treatment 0.451 0.0391 1.23 0.426 0.00974 0.29 1.0727 0.8501 1332895 TimTec1_001369 Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O06 compound treatment 0.501 0.0891 2.8 0.473 0.0567 1.68 3.1691 0.9702 1308936 TimTec1_001370 Fc1ccc(cc1)C(=O)CSC2=C(C#N)C(=O)C(C#N)C3(CCCC3)N2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O07 compound treatment 0.442 0.0301 0.95 0.428 0.0117 0.35 0.9145 0.9078 3210391 TimTec1_001371 O=C(NCCOc1ccccc1c2ccccc2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O08 compound treatment 0.432 0.0201 0.63 0.422 0.00574 0.17 0.5664 0.8668 1195667 TimTec1_001372 Cc1ccc(cc1)C(=O)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@]3(C)C=Cc4ccccc4N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O09 compound treatment 0.478 0.0661 2.08 0.499 0.0827 2.45 3.2025 0.9966 1300208 TimTec1_001373 Nc1sc(Nc2ccccc2)c(C#N)c1C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O10 compound treatment 0.487 0.0751 2.36 0.487 0.0707 2.1 3.1512 0.9982 3210392 TimTec1_001374 COC(=O)c1ccc(cc1)[C@@H]2[C@H]3CC(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O11 compound treatment 0.425 0.0131 0.41 0.418 0.00174 0.05 0.327 0.7897 1596487 TimTec1_001375 CCCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3cccc(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O12 compound treatment 0.446 0.0341 1.07 0.44 0.0237 0.7 1.2548 0.9792 3082899 TimTec1_001376 COc1ccc(cc1)[C@H]2NC(=C(C#N)C(=O)[C@@H]2[n+]3ccccc3)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O13 compound treatment 0.417 0.00506 0.16 0.429 0.0127 0.38 0.3796 0.9263 3210393 TimTec1_001377 NC1=C(C#N)C(c2nc(oc2N1c3ccccc3)c4ccccc4)c5cccc(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O14 compound treatment 0.454 0.0421 1.32 0.451 0.0347 1.03 1.6632 0.9923 1397691 TimTec1_001378 CC1=C(C(C(=C(N)S1)C#N)c2ccoc2)C(=O)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O15 compound treatment 0.43 0.0181 0.57 0.446 0.0297 0.88 1.0248 0.9774 1415097 TimTec1_001379 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(OC(C)C)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O16 compound treatment 0.416 0.00406 0.13 0.44 0.0237 0.7 0.5878 0.8221 3210394 TimTec1_001380 Clc1cccc(c1)C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O17 compound treatment 0.489 0.0771 2.42 0.495 0.0787 2.33 3.3633 0.9998 3082903 TimTec1_001381 Cc1nc2C(C(=C(N)Nc2o1)C#N)c3c[nH]nc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O18 compound treatment 0.441 0.0291 0.91 0.457 0.0407 1.21 1.4999 0.9906 1268817 TimTec1_001382 COc1ccccc1NC(=O)c2ccc(cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O19 compound treatment 0.485 0.0731 2.3 0.49 0.0737 2.19 3.1696 0.9997 3210395 TimTec1_001383 COc1cccc(c1)[C@@H]2[C@H]3CC(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O20 compound treatment 0.433 0.0211 0.66 0.437 0.0207 0.61 0.9029 0.9993 1627987 TimTec1_001384 CCOC(=O)c1c(NC(=O)C)sc2C(=O)NCCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O21 compound treatment 0.429 0.0171 0.54 0.437 0.0207 0.61 0.814 0.9977 1713250 TimTec1_001385 CC(C)NC(=O)CSc1cc(c2cccnc2)c3CCCCc3c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O22 compound treatment 0.441 0.0291 0.91 0.446 0.0297 0.88 1.2694 0.9998 3210396 TimTec1_001386 CCOC(=O)c1c(N)sc2C(=O)C(CCc12)Sc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O23 mock treatment 0.424 0.0121 0.38 0.436 0.0197 0.58 0.6819 0.978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 O24 mock treatment 0.44 0.0281 0.88 0.451 0.0347 1.03 1.3519 0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P01 compound treatment 0.475 0.0631 1.98 0.459 0.0427 1.27 2.2977 0.9765 3082907 TimTec1_001387 COc1ccc2c(=S)c(c3cc4ccccc4o3)c(C)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P02 compound treatment 0.421 0.00906 0.29 0.426 0.00974 0.29 0.4057 1.0 1033890 TimTec1_001388 C(Cc1nc2ccccc2[nH]1)Cc3nc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P03 compound treatment 0.437 0.0251 0.79 0.454 0.0377 1.12 1.3481 0.9853 3082909 TimTec1_001389 S=CC1=C2NCCCN2C3CCCCC31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P04 compound treatment 1.43 1.02 32.01 1.379 0.963 28.53 42.8076 0.9983 1117255 TimTec1_001390 NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P05 compound treatment 0.433 0.0211 0.66 0.439 0.0227 0.67 0.9449 1.0 1246425 TimTec1_001391 Cc1c(NC2CS(=O)(=O)CC2O)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P06 compound treatment 0.475 0.0631 1.98 0.469 0.0527 1.56 2.5073 0.9931 1671747 TimTec1_001392 O=c1c(C2=NCCCCC2)c3[nH]c(cn3n1c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P07 compound treatment 0.445 0.0331 1.04 0.424 0.00774 0.23 0.8974 0.8429 1595982 TimTec1_001393 CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc3CC(C)CCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P08 compound treatment 0.466 0.0541 1.7 0.459 0.0427 1.27 2.0976 0.9895 1216494 TimTec1_001394 NNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P09 compound treatment 0.446 0.0341 1.07 0.454 0.0377 1.12 1.5482 0.9998 1492209 TimTec1_001395 O=c1[nH]c(nc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P10 compound treatment 0.462 0.0501 1.57 0.477 0.0607 1.8 2.3858 0.9978 1735994 TimTec1_001396 CCn1c(N)c(sc1=S)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P11 compound treatment 0.452 0.0401 1.26 0.449 0.0327 0.97 1.5768 0.9917 1341596 TimTec1_001397 CCc1nc2ccccc2c(=O)n1c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P12 compound treatment 0.472 0.0601 1.89 0.476 0.0597 1.77 2.5872 0.9995 1919107 TimTec1_001398 Cc1cc(NCCCN2CCOCC2)nc(n1)c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P13 compound treatment 0.44 0.0281 0.88 0.45 0.0337 1.0 1.331 0.9981 1420208 TimTec1_001399 CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc3CCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P14 compound treatment 0.448 0.0361 1.13 0.459 0.0427 1.27 1.6974 0.9985 1140583 TimTec1_001400 COc1ccc(C)cc1NC(=O)C(=S)NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P15 compound treatment 0.444 0.0321 1.01 0.46 0.0437 1.3 1.6294 0.9923 3210397 TimTec1_001401 NC(=N)NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P16 compound treatment 0.448 0.0361 1.13 0.449 0.0327 0.97 1.4879 0.997 1142293 TimTec1_001402 O=C(Oc1ccc(cc1)C2SCCS2)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P17 compound treatment 0.466 0.0541 1.7 0.449 0.0327 0.97 1.8881 0.9646 1739320 TimTec1_001403 Clc1ccccc1C(=O)Nc2nonc2NC=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P18 compound treatment 0.458 0.0461 1.45 0.48 0.0637 1.89 2.3598 0.9914 1453837 TimTec1_001404 O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P19 compound treatment 0.446 0.0341 1.07 0.452 0.0357 1.06 1.5063 1.0 1670037 TimTec1_001405 CCc1cccc(CC)c1NC(=O)COc2ccccc2C(=O)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P20 compound treatment 0.45 0.0381 1.2 0.449 0.0327 0.97 1.5324 0.9946 3210398 TimTec1_001406 CC(C)Cc1ccc(/C=C/C(=O)N2CCN(C\C=C\c3ccccc3)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P21 compound treatment 0.46 0.0481 1.51 0.478 0.0617 1.83 2.3623 0.9955 3082991 TimTec1_001407 Cc1nc(SCc2noc(CSc3nc(C)c(C)c(C)c3C#N)n2)c(C#N)c(C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P22 compound treatment 0.48 0.0681 2.14 0.486 0.0697 2.07 2.9746 0.9998 3210399 TimTec1_001408 Cc1ccc2NC(=O)/C(=N\N3C(=O)c4ccccc4C3=O)/c2c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P23 mock treatment 0.435 0.0231 0.73 0.448 0.0317 0.94 1.1779 0.9917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2066 P24 mock treatment 0.471 0.0591 1.86 0.464 0.0477 1.41 2.3136 0.991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A01 compound treatment 0.482 0.0597 1.88 0.511 0.0818 2.42 3.0404 0.992 1609023 TimTec1_001409 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A02 compound treatment 0.456 0.0337 1.06 0.476 0.0468 1.39 1.729 0.9912 3210400 TimTec1_001410 CCN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A03 compound treatment 0.419 -0.00332 -0.1 0.415 -0.0142 -0.42 -0.3718 -0.8565 3210401 TimTec1_001411 OCC1OC(C(O)C1O)N2C3CCNC(=O)C3N=C2N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A04 compound treatment 0.569 0.147 4.61 0.414 -0.0152 -0.45 2.9423 0.6349 1501937 TimTec1_001412 O=C(Nc1cccc(c1)N2CCCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A05 compound treatment 0.436 0.0137 0.43 0.426 -0.00322 -0.1 0.2367 0.5372 1302244 TimTec1_001413 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)NC3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A06 compound treatment 0.43 0.00768 0.24 0.417 -0.0122 -0.36 -0.0853 -0.1961 3082998 TimTec1_001414 Nc1nc(SCc2ccccc2)n(n1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A07 compound treatment 0.43 0.00768 0.24 0.425 -0.00422 -0.13 0.0823 0.3028 1224047 TimTec1_001415 COc1ccccc1c2nn(CNc3ccccc3)c(=S)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A08 compound treatment 0.442 0.0197 0.62 0.445 0.0158 0.47 0.7682 0.9905 3083000 TimTec1_001416 CCOC(=O)c1sc(SC)nc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A09 compound treatment 0.444 0.0217 0.68 0.448 0.0188 0.56 0.8755 0.9949 1232083 TimTec1_001417 Brc1ccc2C(=O)N(C(c3ccccc3)c4ccccc4)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A10 compound treatment 0.403 -0.0193 -0.61 0.416 -0.0132 -0.39 -0.7066 -0.9775 1258394 TimTec1_001418 CCN(CC)C(=O)c1c[nH]c2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A11 compound treatment 0.454 0.0317 1.0 0.47 0.0408 1.21 1.5588 0.9954 1352649 TimTec1_001419 C(N1CCCN(Cc2ccccc2)C1c3ccncc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A12 compound treatment 0.445 0.0227 0.71 0.447 0.0178 0.53 0.8768 0.9889 1285436 TimTec1_001420 Brc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A13 compound treatment 0.434 0.0117 0.37 0.441 0.0118 0.35 0.5065 0.9997 3210402 TimTec1_001421 COc1cc(cc(OC)c1OC)C/2=NOC(=O)\C2=C/c3ccc(Cl)cc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A14 compound treatment 0.434 0.0117 0.37 0.44 0.0108 0.32 0.4855 0.9976 3083004 TimTec1_001422 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccnc4)C(=O)CC(C)(C)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A15 compound treatment 0.44 0.0177 0.56 0.431 0.00178 0.05 0.4304 0.7708 3210403 TimTec1_001423 CSc1sc(C)cc1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A16 compound treatment 0.451 0.0287 0.9 0.457 0.0278 0.82 1.2197 0.999 1473282 TimTec1_001424 N=c1[nH]c(cs1)c2ccc3OCCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A17 compound treatment 0.453 0.0307 0.96 0.457 0.0278 0.82 1.2642 0.9969 1291516 TimTec1_001425 Nc1nonc1NC(=O)CSc2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A18 compound treatment 0.431 0.00868 0.27 0.421 -0.00822 -0.24 0.0207 0.0567 1069221 TimTec1_001426 CSc1nnnn1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A19 compound treatment 0.45 0.0277 0.87 0.454 0.0248 0.73 1.1346 0.9964 1502089 TimTec1_001427 COc1ccc(cc1)C2C3CCC=C3C(=C(N)C2(C#N)C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A20 compound treatment 0.404 -0.0183 -0.58 0.454 0.0248 0.73 0.1119 0.1198 1057528 TimTec1_001428 CC(=O)Oc1cccc2ccc(O)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A21 compound treatment 0.426 0.00368 0.12 0.391 -0.0382 -1.13 -0.719 -0.6316 3210521 TimTec1_001429 Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A22 compound treatment 0.423 6.77E-4 0.02 0.414 -0.0152 -0.45 -0.3038 -0.673 1551108 TimTec1_001430 CCOC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A23 mock treatment 0.43 0.00768 0.24 0.394 -0.0352 -1.04 -0.5672 -0.5296 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 A24 mock treatment 0.4 -0.0223 -0.7 0.407 -0.0222 -0.66 -0.9619 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B01 compound treatment 0.408 -0.0143 -0.45 0.404 -0.0252 -0.75 -0.8468 -0.9706 1318272 TimTec1_001431 COc1ccc2nc(sc2c1)C(=O)N3CCN(C)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B02 compound treatment 0.399 -0.0233 -0.73 0.405 -0.0242 -0.72 -1.026 -0.9999 1256461 TimTec1_001432 OC(=O)c1ccc(Nc2nnc(c3ccccc3)c(n2)c4ccccc4)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B03 compound treatment 0.379 -0.0433 -1.36 0.396 -0.0332 -0.98 -1.6593 -0.9873 3083011 TimTec1_001433 FC(F)(F)c1cccc(c1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B04 compound treatment 0.392 -0.0303 -0.95 0.378 -0.0512 -1.52 -1.7474 -0.9749 3210522 TimTec1_001434 C(C1COC(=N1)C2=N[C@@H](Cc3ccccc3)CO2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B05 compound treatment 0.376 -0.0463 -1.46 0.387 -0.0422 -1.25 -1.9145 -0.9971 3083012 TimTec1_001435 Cc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B06 compound treatment 0.378 -0.0443 -1.39 0.384 -0.0452 -1.34 -1.9329 -0.9998 3210523 TimTec1_001436 C/C(=N\O)/c1ccc2OCCOCCOCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B07 compound treatment 0.39 -0.0323 -1.02 0.382 -0.0472 -1.4 -1.708 -0.9877 1208416 TimTec1_001437 O=C1N(CSc2nc3ccccc3s2)c4cccc5cccc1c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B08 compound treatment 0.418 -0.00432 -0.14 0.416 -0.0132 -0.39 -0.3731 -0.8998 3210524 TimTec1_001438 C[C@@H]1[C@@H]2CCC3[C@@](C)(CC(=O)O)CCC[C@]3(C)C2Cc4occc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B09 compound treatment 0.4 -0.0223 -0.7 0.393 -0.0362 -1.07 -1.2552 -0.9788 1668666 TimTec1_001439 C(SCc1ccccc1)c2cn3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B10 compound treatment 0.431 0.00868 0.27 0.44 0.0108 0.32 0.4188 0.9969 3210525 TimTec1_001440 ONC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B11 compound treatment 0.407 -0.0153 -0.48 0.395 -0.0342 -1.01 -1.0577 -0.9421 3083091 TimTec1_001441 CCCOc1ccc(/C=C/C(=O)Nc2nnc[nH]2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B12 compound treatment 0.421 -0.00132 -0.04 0.428 -0.00122 -0.04 -0.0549 -0.9975 1621908 TimTec1_001442 NS(=O)(=O)c1nn2cc(nc2s1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B13 compound treatment 0.388 -0.0343 -1.08 0.39 -0.0392 -1.16 -1.5849 -0.9993 1239473 TimTec1_001443 Clc1c(NCc2ccccc2)cn[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B14 compound treatment 0.415 -0.00732 -0.23 0.418 -0.0112 -0.33 -0.3979 -0.9839 3210526 TimTec1_001444 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)/C=C/c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B15 compound treatment 0.383 -0.0393 -1.24 0.395 -0.0342 -1.01 -1.5913 -0.9951 3210527 TimTec1_001445 Brc1cc(c2coc3ccccc3c2=O)c4OCOCc4c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B16 compound treatment 0.427 0.00468 0.15 0.431 0.00178 0.05 0.1413 0.9044 3083094 TimTec1_001446 COc1cc(SC#N)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B17 compound treatment 0.359 -0.0633 -1.99 0.37 -0.0592 -1.75 -2.6487 -0.998 1121522 TimTec1_001447 COc1ccc(CCCc2nc3ccccc3[nH]2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B18 compound treatment 0.389 -0.0333 -1.05 0.383 -0.0462 -1.37 -1.7093 -0.9913 3210528 TimTec1_001448 CNC(=S)Nc1ccc(OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B19 compound treatment 0.388 -0.0343 -1.08 0.384 -0.0452 -1.34 -1.7106 -0.9942 1022826 TimTec1_001449 O=C(Nc1ccccc1)Oc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B20 compound treatment 0.377 -0.0453 -1.43 0.369 -0.0602 -1.78 -2.2694 -0.9938 3083097 TimTec1_001450 CC1CCCCN1C(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B21 compound treatment 0.38 -0.0423 -1.33 0.446 0.0168 0.5 -0.5894 -0.4149 3210529 TimTec1_001451 O=C(NCc1ccco1)c2ccccc2N(Cc3ccccc3)S(=O)(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B22 compound treatment 0.413 -0.00932 -0.29 0.396 -0.0332 -0.98 -0.9033 -0.8795 1271782 TimTec1_001452 CC(=O)Oc1ccc2c(NC3(OC(=O)C)C(=O)c4ccccc4C23OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B23 mock treatment 0.38 -0.0423 -1.33 0.371 -0.0582 -1.73 -2.1608 -0.9918 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 B24 mock treatment 0.397 -0.0253 -0.8 0.411 -0.0182 -0.54 -0.9448 -0.9821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C01 compound treatment 0.576 0.154 4.83 0.457 0.0278 0.82 3.9989 0.8158 1645231 TimTec1_001453 CCn1cnc2c(=O)[nH][nH]c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C02 compound treatment 0.458 0.0357 1.12 0.478 0.0488 1.45 1.8153 0.9921 2086755 TimTec1_001454 CCOC(=O)N1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C03 compound treatment 0.412 -0.0103 -0.32 0.431 0.00178 0.05 -0.1922 -0.5844 1308938 TimTec1_001455 CCc1cc2c(=O)c(coc2cc1OC(C)C(=O)O)c3csc(C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C04 compound treatment 0.422 -3.23E-4 -0.01 0.439 0.00978 0.29 0.1978 0.6819 1446072 TimTec1_001456 CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C05 compound treatment 0.419 -0.00332 -0.1 0.426 -0.00322 -0.1 -0.1413 -0.999 1636408 TimTec1_001457 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C06 compound treatment 0.472 0.0497 1.56 0.473 0.0438 1.3 2.0219 0.9957 3083101 TimTec1_001458 Nc1n/c(=N\c2ccccc2)/ss1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C07 compound treatment 0.41 -0.0123 -0.39 0.414 -0.0152 -0.45 -0.5929 -0.9971 1676195 TimTec1_001459 CCSc1nc2ccccc2n1CC(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C08 compound treatment 0.404 -0.0183 -0.58 0.412 -0.0172 -0.51 -0.7682 -0.9982 3083103 TimTec1_001460 CSc1nc(N)c(s1)C(=O)Nc2ccc(cc2)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C09 compound treatment 0.413 -0.00932 -0.29 0.417 -0.0122 -0.36 -0.4633 -0.9945 3210530 TimTec1_001461 Cc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C10 compound treatment 0.409 -0.0133 -0.42 0.422 -0.00722 -0.21 -0.4475 -0.9513 1342383 TimTec1_001462 O=C(N(Cc1ccccc1)Cc2ccccc2)c3c[nH]c4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C11 compound treatment 0.398 -0.0243 -0.76 0.411 -0.0182 -0.54 -0.9225 -0.9855 1668351 TimTec1_001463 OC(=O)C1CCCN1C(=O)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C12 compound treatment 0.412 -0.0103 -0.32 0.447 0.0178 0.53 0.1431 0.2312 1266673 TimTec1_001464 O=C(Nc1ncccn1)c2c[nH]c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C13 compound treatment 0.409 -0.0133 -0.42 0.432 0.00278 0.08 -0.2379 -0.5573 3083106 TimTec1_001465 Fc1ccccc1C/2=NOC(=O)\C2=C/Nc3ccc(Cl)cn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C14 compound treatment 0.398 -0.0243 -0.76 0.428 -0.00122 -0.04 -0.5663 -0.7397 1516165 TimTec1_001466 CCOC(=O)C1=C(C)OC(=C(C1c2cccnc2)C(=O)OCC)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C15 compound treatment 0.399 -0.0233 -0.73 0.417 -0.0122 -0.36 -0.7746 -0.9471 3083108 TimTec1_001467 CSc1sc(C)cc1/C=N/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C16 compound treatment 0.428 0.00568 0.18 0.437 0.00778 0.23 0.2893 0.992 3210531 TimTec1_001468 Clc1ccc(NC(=O)/N=c/2\[nH]c(cs2)c3ccccc3)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C17 compound treatment 0.407 -0.0153 -0.48 0.423 -0.00622 -0.18 -0.471 -0.913 3083183 TimTec1_001469 Nc1nonc1NC(=O)CSC(=N)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C18 compound treatment 0.434 0.0117 0.37 0.434 0.00478 0.14 0.3598 0.9142 1579055 TimTec1_001470 COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C19 compound treatment 0.466 0.0437 1.37 0.472 0.0428 1.27 1.8675 0.9992 1328959 TimTec1_001471 CCOc1ccc(OCC)c(c1)C2C(Cc3ccccc3)N4C(C=Cc5ccccc45)C2(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C20 compound treatment 0.415 -0.00732 -0.23 0.43 7.81E-4 0.02 -0.1464 -0.6328 3083185 TimTec1_001472 COC(=O)Nc1nccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C21 compound treatment 0.406 -0.0163 -0.51 0.427 -0.00222 -0.07 -0.4094 -0.7912 1288354 TimTec1_001473 Cc1ccc(c(C)c1)c2c(C#N)c(N)n(C)c(=O)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C22 compound treatment 0.408 -0.0143 -0.45 0.401 -0.0282 -0.84 -0.9097 -0.9579 1283442 TimTec1_001474 O=C(Nc1ccc2OCOc2c1)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C23 mock treatment 0.403 -0.0193 -0.61 0.447 0.0178 0.53 -0.0571 -0.0709 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 C24 mock treatment 0.423 6.77E-4 0.02 0.426 -0.00322 -0.1 -0.0524 -0.536 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D01 compound treatment 0.547 0.125 3.92 0.506 0.0768 2.28 4.3808 0.9665 3083186 TimTec1_001475 O=C1CC(Sc2ccc3ccccc3c2)C4COC1O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D02 compound treatment 0.453 0.0307 0.96 0.448 0.0188 0.56 1.0756 0.9658 1501922 TimTec1_001476 OC(=O)c1nn(Cc2ccccc2)nc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D03 compound treatment 0.439 0.0167 0.52 0.448 0.0188 0.56 0.7643 0.9996 3210532 TimTec1_001477 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D04 compound treatment 0.417 -0.00532 -0.17 0.416 -0.0132 -0.39 -0.3953 -0.9281 3083190 TimTec1_001478 O=C(N[C@@H]1COC(=O)C1)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D05 compound treatment 0.459 0.0367 1.15 0.437 0.00778 0.23 0.9785 0.832 3210533 TimTec1_001479 O=C(C(=C1Nc2ccccc2N1)C#N)c3cc[n+](Cc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D06 compound treatment 0.412 -0.0103 -0.32 0.406 -0.0232 -0.69 -0.716 -0.9412 3083192 TimTec1_001480 OC(=O)c1ccc(/C=C/C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D07 compound treatment 0.434 0.0117 0.37 0.412 -0.0172 -0.51 -0.1011 -0.1609 1703831 TimTec1_001481 Brc1ccc(NC(=O)C2(CCN3CC2)c4ccccc4C3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D08 compound treatment 0.413 -0.00932 -0.29 0.401 -0.0282 -0.84 -0.7985 -0.9012 1474907 TimTec1_001482 OC1CC(c2ccccc2Cl)C3(C(C1)c4ccccc4Cl)C(=O)NC(=O)NC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D09 compound treatment 0.413 -0.00932 -0.29 0.404 -0.0252 -0.75 -0.7357 -0.9165 3210647 TimTec1_001483 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc4ccccc4)nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D10 compound treatment 0.459 0.0367 1.15 0.444 0.0148 0.44 1.1252 0.9121 3083196 TimTec1_001484 Cc1ccc(cc1)S(=O)(=O)c2ccc(/C=C/c3ccco3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D11 compound treatment 0.395 -0.0273 -0.86 0.442 0.0128 0.38 -0.3397 -0.3618 1185515 TimTec1_001485 O=C(NCCc1nc2ccccc2[nH]1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D12 compound treatment 0.407 -0.0153 -0.48 0.456 0.0268 0.79 0.2205 0.2375 3083198 TimTec1_001486 COc1ccc(/C=C/2\N=C(N(C2=O)c3nc4ccc(cc4s3)C(=O)O)c5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D13 compound treatment 0.406 -0.0163 -0.51 0.419 -0.0102 -0.3 -0.577 -0.9683 1329192 TimTec1_001487 Cc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D14 compound treatment 0.421 -0.00132 -0.04 0.431 0.00178 0.05 0.0079 0.1178 3210648 TimTec1_001488 CC(=O)Nc1ccc(cc1C(=O)O)S(=O)(=O)NN2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D15 compound treatment 0.401 -0.0213 -0.67 0.406 -0.0232 -0.69 -0.9606 -0.9999 3083200 TimTec1_001489 Cc1nnc(C)n1/N=C/c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D16 compound treatment 0.434 0.0117 0.37 0.415 -0.0142 -0.42 -0.0383 -0.0685 1026134 TimTec1_001490 O=C(c1cc2ccccc2o1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D17 compound treatment 0.402 -0.0203 -0.64 0.396 -0.0332 -0.98 -1.1479 -0.9781 1337169 TimTec1_001491 CCCC(=O)c1ccc(cc1)C(C)CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D18 compound treatment 0.384 -0.0383 -1.2 0.386 -0.0432 -1.28 -1.7576 -0.9995 1082112 TimTec1_001492 COc1cccc(NC(=S)Nc2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D19 compound treatment 0.406 -0.0163 -0.51 0.397 -0.0322 -0.95 -1.038 -0.9576 1198422 TimTec1_001493 NC(=O)CCNC(=O)C(c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D20 compound treatment 0.503 0.0807 2.54 0.441 0.0118 0.35 2.0406 0.7969 1112637 TimTec1_001494 CCC(C)NC(=O)c1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D21 compound treatment 0.396 -0.0263 -0.83 0.407 -0.0222 -0.66 -1.0508 -0.9936 3210649 TimTec1_001495 Fc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2Cc4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D22 compound treatment 0.414 -0.00832 -0.26 0.424 -0.00522 -0.15 -0.2944 -0.9685 1228411 TimTec1_001496 OC1(C2C(=O)NC(=O)NC2=O)C(=O)c3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D23 mock treatment 0.405 -0.0173 -0.54 0.406 -0.0232 -0.69 -0.8716 -0.9933 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 D24 mock treatment 0.414 -0.00832 -0.26 0.439 0.00978 0.29 0.0199 0.051 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E01 compound treatment 0.44 0.0177 0.56 0.477 0.0478 1.42 1.3942 0.9166 1636299 TimTec1_001497 COc1ccc2C=CC3C=CC(O)C4Oc1c2C43CCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E02 compound treatment 0.427 0.00468 0.15 0.459 0.0298 0.88 0.728 0.8137 3083205 TimTec1_001498 CC(C)(C)C1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E03 compound treatment 0.441 0.0187 0.59 0.457 0.0278 0.82 0.9974 0.9863 3210650 TimTec1_001499 Cn1c(=O)c(C2=NNC3=NNC(C23)c4ccccc4)c(O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E04 compound treatment 0.394 -0.0283 -0.89 0.423 -0.00622 -0.18 -0.76 -0.8357 3083208 TimTec1_001500 O=C(N1CCCCC1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E05 compound treatment 0.429 0.00668 0.21 0.442 0.0128 0.38 0.4163 0.9613 1501857 TimTec1_001501 COc1ccc(NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccc(OC)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E06 compound treatment 0.419 -0.00332 -0.1 0.416 -0.0132 -0.39 -0.3508 -0.8655 1493097 TimTec1_001502 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cnnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E07 compound treatment 0.433 0.0107 0.34 0.444 0.0148 0.44 0.5471 0.9914 3210651 TimTec1_001503 Oc1ccc(/C=N/c2ccc(cc2)N3CCOCC3)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E08 compound treatment 0.43 0.00768 0.24 0.419 -0.0102 -0.3 -0.0434 -0.1121 1097150 TimTec1_001504 COc1ccc(NC(=O)c2sc(SC)nc2N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E09 compound treatment 0.466 0.0437 1.37 0.486 0.0568 1.68 2.1608 0.9949 3210652 TimTec1_001505 O=C/1Nc2ccccc2\C1=N/N3C(=O)C4C=CC=CC4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E10 compound treatment 0.422 -3.23E-4 -0.01 0.457 0.0278 0.82 0.5749 0.6983 1413901 TimTec1_001506 O=C(N(c1ccccc1)c2ccccc2)c3c[nH]c4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E11 compound treatment 0.422 -3.23E-4 -0.01 0.48 0.0508 1.5 1.0568 0.7023 3210653 TimTec1_001507 CC(C)(C)C(=O)CSc1ncnc2[nH]cnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E12 compound treatment 0.429 0.00668 0.21 0.418 -0.0112 -0.33 -0.0866 -0.2202 1279481 TimTec1_001508 CCOC(=O)CC(N)c1ccccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E13 compound treatment 0.457 0.0347 1.09 0.464 0.0348 1.03 1.4998 0.9996 3210654 TimTec1_001509 CCc1sc2sncc2c1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E14 compound treatment 0.424 0.00168 0.05 0.421 -0.00822 -0.24 -0.1349 -0.5414 1490642 TimTec1_001510 Cc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E15 compound treatment 0.421 -0.00132 -0.04 0.419 -0.0102 -0.3 -0.2435 -0.7967 3082121 TimTec1_001511 CCSc1cc(CC)sc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E16 compound treatment 0.417 -0.00532 -0.17 0.415 -0.0142 -0.42 -0.4163 -0.9182 3082123 TimTec1_001512 CN(C(=O)CSC(=S)N1CCCC1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E17 compound treatment 0.411 -0.0113 -0.36 0.416 -0.0132 -0.39 -0.5287 -0.9989 3210655 TimTec1_001513 CCOC(=O)/C=C(/C)\Nc1nonc1NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E18 compound treatment 0.413 -0.00932 -0.29 0.417 -0.0122 -0.36 -0.4633 -0.9945 3082125 TimTec1_001514 Nc1nnc(o1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E19 compound treatment 0.403 -0.0193 -0.61 0.405 -0.0242 -0.72 -0.9371 -0.9966 1386928 TimTec1_001515 Cc1ccc(C2C(Cc3ccccc3)N4C=Cc5ccccc5C4C2(C#N)C(=O)N)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E20 compound treatment 0.4 -0.0223 -0.7 0.403 -0.0262 -0.78 -1.0457 -0.9987 3082127 TimTec1_001516 CCOC(=O)Cc1ccccc1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E21 compound treatment 0.464 0.0417 1.31 0.47 0.0408 1.21 1.7811 0.9992 3210656 TimTec1_001517 O=C/1/C(=C/C2CCCO2)/CC\C1=C/C3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E22 compound treatment 0.395 -0.0273 -0.86 0.401 -0.0282 -0.84 -1.1987 -0.9999 1433367 TimTec1_001518 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(C)ccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E23 mock treatment 0.411 -0.0113 -0.36 0.404 -0.0252 -0.75 -0.7801 -0.9425 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 E24 mock treatment 0.416 -0.00632 -0.2 0.425 -0.00422 -0.13 -0.229 -0.975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F01 compound treatment 0.52 0.0977 3.07 0.453 0.0238 0.7 2.67 0.8473 1232600 TimTec1_001519 COCC(=O)OCC1CCCN2CCCCC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F02 compound treatment 0.425 0.00268 0.08 0.428 -0.00122 -0.04 0.034 0.3711 3082129 TimTec1_001520 CC(=O)OCc1cnn(n1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F03 compound treatment 0.423 6.77E-4 0.02 0.422 -0.00722 -0.21 -0.1362 -0.6336 3210657 TimTec1_001521 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)NC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F04 compound treatment 0.425 0.00268 0.08 0.416 -0.0132 -0.39 -0.2174 -0.5427 1023719 TimTec1_001522 Clc1ncnc2n(cnc12)C3CCCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F05 compound treatment 0.428 0.00568 0.18 0.432 0.00278 0.08 0.1845 0.9384 3210658 TimTec1_001523 CCc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F06 compound treatment 0.418 -0.00432 -0.14 0.429 -2.19E-4 -0.01 -0.1007 -0.74 3082133 TimTec1_001524 Brc1ccc(/C=C/C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F07 compound treatment 0.393 -0.0293 -0.92 0.435 0.00578 0.17 -0.5308 -0.566 3082134 TimTec1_001525 Nc1nnc(CCN2C(=O)S/C(=C/c3ccccc3)/C2=O)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F08 compound treatment 0.43 0.00768 0.24 0.469 0.0398 1.18 1.0042 0.8346 1022021 TimTec1_001526 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(O)ncnc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F09 compound treatment 0.412 -0.0103 -0.32 0.537 0.108 3.19 2.0288 0.632 3210659 TimTec1_001527 OC(=O)COc1ccccc1/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F10 compound treatment 0.42 -0.00232 -0.07 0.472 0.0428 1.27 0.8447 0.6653 3210660 TimTec1_001528 CN(C)c1ccc(cc1)C2=NN(C(C2)NC(Cc3c[nH]c4ccccc34)C(=O)O)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F11 compound treatment 0.428 0.00568 0.18 0.422 -0.00722 -0.21 -0.025 -0.0898 1300950 TimTec1_001529 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F12 compound treatment 0.404 -0.0183 -0.58 0.392 -0.0372 -1.1 -1.1872 -0.9541 1127108 TimTec1_001530 CCC(Sc1nc2cccc(CC)c2c(=O)n1c3ccc(OC)cc3)C(=O)NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F13 compound treatment 0.505 0.0827 2.6 0.437 0.00778 0.23 2.0013 0.7668 3082764 TimTec1_001531 Clc1nc(C#N)c(C#N)nc1C(=C2Nc3ccccc3N2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F14 compound treatment 0.435 0.0127 0.4 0.439 0.00978 0.29 0.4868 0.9877 3210661 TimTec1_001532 CC(C)C(C(=O)NN1C(=O)/C(=C/c2ccccn2)/N=C1c3ccccc3)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F15 compound treatment 0.463 0.0407 1.28 0.476 0.0468 1.39 1.8846 0.9992 3082765 TimTec1_001533 C/C=C(/C)\C(=O)OC1CC(O)(C(C)C)C2C(CC(=CCC12C)C)OC(=O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F16 compound treatment 0.414 -0.00832 -0.26 0.428 -0.00122 -0.04 -0.2106 -0.7971 1203282 TimTec1_001534 CC(O)CNC(=O)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F17 compound treatment 0.409 -0.0133 -0.42 0.415 -0.0142 -0.42 -0.5941 -1.0 1114140 TimTec1_001535 COc1ccc(CCCC(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F18 compound treatment 0.36 -0.0623 -1.96 0.357 -0.0722 -2.14 -2.8989 -0.999 1082103 TimTec1_001536 Fc1ccc(NC(=S)Nc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F19 compound treatment 0.407 -0.0153 -0.48 0.417 -0.0122 -0.36 -0.5967 -0.9901 1119735 TimTec1_001537 COc1ccc2[nH]cc(CCNC(=O)c3ccco3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F20 compound treatment 0.408 -0.0143 -0.45 0.417 -0.0122 -0.36 -0.5745 -0.9941 3210662 TimTec1_001538 CCOC(=O)C1=C(Nc2ccccc2)OCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F21 compound treatment 0.391 -0.0313 -0.98 0.411 -0.0182 -0.54 -1.0782 -0.9599 3082768 TimTec1_001539 CC(C)NCC(O)COc1ccc(/C=C/c2cc(C)no2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F22 compound treatment 0.447 0.0247 0.78 0.452 0.0228 0.68 1.026 0.9976 3210663 TimTec1_001540 O=C1C(/C(=N/c2ccccc2)/c3ccccc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F23 mock treatment 0.406 -0.0163 -0.51 0.397 -0.0322 -0.95 -1.038 -0.9576 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 F24 mock treatment 0.455 0.0327 1.03 0.442 0.0128 0.38 0.9943 0.908 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G01 compound treatment 0.455 0.0327 1.03 0.49 0.0608 1.8 2.0001 0.9646 3210787 TimTec1_001541 CC1=C(NC(=S)NC(=O)c2ccccc2)NCc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G02 compound treatment 0.499 0.0767 2.41 0.462 0.0328 0.97 2.3917 0.9201 3082771 TimTec1_001542 N#C/C(=C\c1ccccc1/C=C(\C#N)/c2ccc3OCOc3c2)/c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G03 compound treatment 0.42 -0.00232 -0.07 0.432 0.00278 0.08 0.0066 0.0603 3210788 TimTec1_001543 OC(=O)CC1N=Cc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G04 compound treatment 0.407 -0.0153 -0.48 0.422 -0.00722 -0.21 -0.4919 -0.9332 3210789 TimTec1_001544 C1Oc2ccc(/C=C/C=N/c3ccc(cc3)N4CCOCC4)cc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G05 compound treatment 0.416 -0.00632 -0.2 0.415 -0.0142 -0.42 -0.4385 -0.9412 1707466 TimTec1_001545 CN1CCN(CC(O)COc2ccccc2OCc3nc(C)no3)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G06 compound treatment 0.414 -0.00832 -0.26 0.424 -0.00522 -0.15 -0.2944 -0.9685 3210790 TimTec1_001546 CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G07 compound treatment 0.418 -0.00432 -0.14 0.456 0.0268 0.79 0.465 0.5776 1121781 TimTec1_001547 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3c(C)c(C)cc(C)c3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G08 compound treatment 0.469 0.0467 1.47 0.589 0.16 4.73 4.3857 0.8848 1240166 TimTec1_001548 Nc1[nH]c(=S)sc1C(=O)Nc2nccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G09 compound treatment 0.426 0.00368 0.12 0.445 0.0158 0.47 0.4124 0.8562 3082775 TimTec1_001549 Brc1ccc(cc1)C2OCC(=S)N2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G10 compound treatment 0.395 -0.0273 -0.86 0.405 -0.0242 -0.72 -1.1149 -0.996 1301555 TimTec1_001550 CC(C)N(CCC#N)C(=O)c1c[nH]c2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G11 compound treatment 0.413 -0.00932 -0.29 0.408 -0.0212 -0.63 -0.6519 -0.9397 1162047 TimTec1_001551 OC(=O)c1ccccc1C(=O)Nc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G12 compound treatment 0.435 0.0127 0.4 0.436 0.00678 0.2 0.424 0.9497 1376806 TimTec1_001552 Cc1ccc(C)c(c1)C2C3CCCC=C3C(=C(N)C2(C#N)C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G13 compound treatment 0.432 0.00968 0.3 0.421 -0.00822 -0.24 0.043 0.1102 1912519 TimTec1_001553 CN(C)Cc1cc(/C=N/C2CCCCC2)c(S)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G14 compound treatment 0.443 0.0207 0.65 0.432 0.00278 0.08 0.518 0.7904 1339047 TimTec1_001554 CCc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G15 compound treatment 0.435 0.0127 0.4 0.438 0.00878 0.26 0.4659 0.9786 3082839 TimTec1_001555 CCc1cc2cc(sc2s1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G16 compound treatment 0.411 -0.0113 -0.36 0.417 -0.0122 -0.36 -0.5078 -1.0 3210791 TimTec1_001556 Nc1nonc1OCCNc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G17 compound treatment 0.417 -0.00532 -0.17 0.424 -0.00522 -0.15 -0.2277 -0.9992 1225048 TimTec1_001557 CC(=O)Nc1nonc1NC2=CC(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G18 compound treatment 0.418 -0.00432 -0.14 0.404 -0.0252 -0.75 -0.6245 -0.8222 1004952 TimTec1_001558 OC(c1nc2ccccc2[nH]1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G19 compound treatment 0.401 -0.0213 -0.67 0.423 -0.00622 -0.18 -0.6044 -0.8692 1382010 TimTec1_001559 CCOc1ccc(OCC)c(CC2OC(=NC2=O)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G20 compound treatment 0.413 -0.00932 -0.29 0.405 -0.0242 -0.72 -0.7147 -0.922 3082843 TimTec1_001560 COc1ccc(/C=C(/C#N)\c2ccc(Cl)cc2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G21 compound treatment 0.419 -0.00332 -0.1 0.441 0.0118 0.35 0.173 0.4747 1449158 TimTec1_001561 Brc1cccc(c1)C(CC(=O)c2ccccc2)C(C#N)C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G22 compound treatment 0.415 -0.00732 -0.23 0.421 -0.00822 -0.24 -0.335 -0.9996 1173213 TimTec1_001562 Clc1ccc(Cl)c(OCC(=O)NCc2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G23 mock treatment 0.413 -0.00932 -0.29 0.409 -0.0202 -0.6 -0.6309 -0.9459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 G24 mock treatment 0.426 0.00368 0.12 0.423 -0.00622 -0.18 -0.0485 -0.2231 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H01 compound treatment 0.429 0.00668 0.21 0.458 0.0288 0.85 0.7515 0.8556 3210792 TimTec1_001563 CN12CCCCC2C(COc3ccccc3Br)CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H02 compound treatment 0.337 -0.0853 -2.68 0.33 -0.0992 -2.94 -3.976 -0.999 3082846 TimTec1_001564 Cc1ccc(cc1)C2=NNC3(CCOC(C)(C)C3)S2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H03 compound treatment 0.419 -0.00332 -0.1 0.409 -0.0202 -0.6 -0.4975 -0.8181 3210793 TimTec1_001565 Clc1ccccc1/C=N/C2CCS(=O)(=O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H04 compound treatment 0.436 0.0137 0.43 0.44 0.0108 0.32 0.53 0.9893 1272351 TimTec1_001566 CC(C)(C)c1ccc2OCCOCCOCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H05 compound treatment 0.414 -0.00832 -0.26 0.438 0.00878 0.26 -0.0011 -0.0029 3210794 TimTec1_001567 c1nn(c2ccccc2)c3ncn4nnnc4c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H06 compound treatment 0.417 -0.00532 -0.17 0.434 0.00478 0.14 -0.0182 -0.0828 3082850 TimTec1_001568 COc1cccc(/C=C/C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H07 compound treatment 0.419 -0.00332 -0.1 0.432 0.00278 0.08 -0.0156 -0.1172 3210795 TimTec1_001569 COc1ccc(cc1OC)C2=N/C(=C/c3c(C)nn(c3N4CCCCC4)c5ccccc5)/C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H08 compound treatment 0.521 0.0987 3.1 0.467 0.0378 1.12 2.9856 0.9051 3210796 TimTec1_001570 Cn1c(=O)c(C/2=NNC(=O)\C2=C/c3c[nH]c4ccccc34)c(O)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H09 compound treatment 0.442 0.0197 0.62 0.449 0.0198 0.59 0.852 0.9996 1574162 TimTec1_001571 CCc1cc(c2n[nH]c(C)c2c3nc4ccccc4n3C)c(O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H10 compound treatment 0.433 0.0107 0.34 0.418 -0.0112 -0.33 0.0023 0.0049 1654421 TimTec1_001572 CS(=O)(=O)N(Cc1ccc(cc1)C(=O)O)c2cccc(Cl)c2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H11 compound treatment 0.419 -0.00332 -0.1 0.406 -0.0232 -0.69 -0.5604 -0.8052 1562719 TimTec1_001573 O=C(CCN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H12 compound treatment 0.383 -0.0393 -1.24 0.375 -0.0542 -1.61 -2.0103 -0.9916 3210797 TimTec1_001574 Clc1ccc(cc1)N(C(=O)Nc2ccccc2Br)C3=NCCS3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H13 compound treatment 0.403 -0.0193 -0.61 0.424 -0.00522 -0.15 -0.539 -0.8597 1779116 TimTec1_001575 CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H14 compound treatment 0.421 -0.00132 -0.04 0.426 -0.00322 -0.1 -0.0968 -0.9308 3210798 TimTec1_001576 CC(=O)OC1C(OC2C(OC(=O)C)C(=O)OC12)n3ccc(=O)[nH]c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H15 compound treatment 0.445 0.0227 0.71 0.454 0.0248 0.73 1.0234 0.9999 3082856 TimTec1_001577 CC(C)C1C(O)C/C(=C/CC/C(=C/C1O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H16 compound treatment 0.419 -0.00332 -0.1 0.433 0.00378 0.11 0.0054 0.0349 1079739 TimTec1_001578 CS(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H17 compound treatment 0.422 -3.23E-4 -0.01 0.456 0.0268 0.79 0.554 0.698 1036359 TimTec1_001579 Cc1ccc(CCCC(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H18 compound treatment 0.402 -0.0203 -0.64 0.4 -0.0292 -0.87 -1.0641 -0.9888 1014539 TimTec1_001580 S=C(Nc1ccccc1)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H19 compound treatment 0.412 -0.0103 -0.32 0.442 0.0128 0.38 0.0383 0.0768 1593359 TimTec1_001581 Cc1ccc(cc1)c2nc3sc4C(=O)CC(C)(C)Cc4n3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H20 compound treatment 0.415 -0.00732 -0.23 0.409 -0.0202 -0.6 -0.5864 -0.9137 1240459 TimTec1_001582 CCOC(=O)C1C(=O)CN(C1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H21 compound treatment 0.395 -0.0273 -0.86 0.408 -0.0212 -0.63 -1.0521 -0.9882 3082920 TimTec1_001583 CC12CCCCC2N(CCC(=O)N)c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H22 compound treatment 0.418 -0.00432 -0.14 0.425 -0.00422 -0.13 -0.1845 -0.9991 1468638 TimTec1_001584 O=C1c2ccccc2C(=O)C1(Nc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H23 mock treatment 0.404 -0.0183 -0.58 0.412 -0.0172 -0.51 -0.7682 -0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 H24 mock treatment 0.435 0.0127 0.4 0.435 0.00578 0.17 0.403 0.9288 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I01 compound treatment 0.475 0.0527 1.66 0.514 0.0848 2.51 2.9476 0.9796 1500758 TimTec1_001585 CCC(=O)NC1CC2C(OC1=O)c3cccc(C)c3NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I02 compound treatment 0.426 0.00368 0.12 0.473 0.0438 1.3 0.9991 0.7671 3082924 TimTec1_001586 CC1CCC/C(=C\c2ccc3OCOc3c2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I03 compound treatment 0.42 -0.00232 -0.07 0.462 0.0328 0.97 0.6352 0.6521 3210799 TimTec1_001587 COC(=O)C1(C)NC2(CCCCC2)Cc3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I04 compound treatment 0.442 0.0197 0.62 0.465 0.0358 1.06 1.1872 0.9671 1512799 TimTec1_001588 CC(C)(C)C1CCc2c(C1)sc3NC(NC(=O)c23)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I05 compound treatment 0.411 -0.0113 -0.36 0.444 0.0148 0.44 0.058 0.1027 1550718 TimTec1_001589 Cc1noc(COc2ccccc2OCC(=O)N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I06 compound treatment 0.419 -0.00332 -0.1 0.427 -0.00222 -0.07 -0.1204 -0.9751 3082927 TimTec1_001590 Cc1[nH]c(=O)n(c(=O)c1C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I07 compound treatment 0.426 0.00368 0.12 0.426 -0.00322 -0.1 0.0143 0.0955 1716137 TimTec1_001591 CS(=O)(=O)Nc1cc(NS(=O)(=O)C)cc(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I08 compound treatment 0.42 -0.00232 -0.07 0.431 0.00178 0.05 -0.0143 -0.1589 1611777 TimTec1_001592 COc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I09 compound treatment 0.412 -0.0103 -0.32 0.413 -0.0162 -0.48 -0.5693 -0.9817 3210800 TimTec1_001593 Cc1ccc(cc1)C(=O)/N=c\2/cccc[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I10 compound treatment 0.279 -0.143 -4.51 0.333 -0.0962 -2.85 -5.2027 -0.9756 1119826 TimTec1_001594 O=C(N1CCCCC1)c2c[nH]c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I11 compound treatment 0.423 6.77E-4 0.02 0.438 0.00878 0.26 0.1991 0.7624 1603574 TimTec1_001595 Cc1sc(N)c(C(=O)N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I12 compound treatment 0.427 0.00468 0.15 0.445 0.0158 0.47 0.4347 0.8867 1363974 TimTec1_001596 COC(=O)C1(C#N)C(C(N2C1C=Cc3ccccc23)C(=O)c4ccccc4)c5ccc(C)cc5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I13 compound treatment 0.43 0.00768 0.24 0.44 0.0108 0.32 0.3966 0.9905 1916807 TimTec1_001597 CCS(=O)(=O)c1ccsc1S(=O)(=O)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I14 compound treatment 0.436 0.0137 0.43 0.505 0.0758 2.25 1.8919 0.8275 3082931 TimTec1_001598 NC1=C(C#N)C2=CCCCC2C(c3cccs3)C1(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I15 compound treatment 0.424 0.00168 0.05 0.504 0.0748 2.22 1.6042 0.7237 1914041 TimTec1_001599 CSc1sc(SC)c(CO)c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I16 compound treatment 0.422 -3.23E-4 -0.01 0.492 0.0628 1.86 1.3083 0.7032 3082933 TimTec1_001600 CC(C)(Oc1ccccc1Cl)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I17 compound treatment 0.424 0.00168 0.05 0.464 0.0348 1.03 0.7661 0.7423 1737803 TimTec1_001601 CC(=O)Nc1nonc1Nc2cc(C)nn2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I18 compound treatment 0.453 0.0307 0.96 0.47 0.0408 1.21 1.5366 0.9938 3082935 TimTec1_001602 COc1ccccc1C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I19 compound treatment 0.422 -3.23E-4 -0.01 0.468 0.0388 1.15 0.8054 0.7008 1115158 TimTec1_001603 Cc1cc(C)c(C)c(C(=O)O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I20 compound treatment 0.42 -0.00232 -0.07 0.438 0.00878 0.26 0.1324 0.4897 3210920 TimTec1_001604 CCNC(=S)Nc1ccc(OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I21 compound treatment 0.405 -0.0173 -0.54 0.445 0.0158 0.47 -0.0545 -0.0759 3082938 TimTec1_001605 Clc1ccc(/C(=C\c2ccc3OCOc3c2)/C#N)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I22 compound treatment 0.408 -0.0143 -0.45 0.45 0.0208 0.62 0.117 0.1533 1045982 TimTec1_001606 NC(=O)NS(=O)(=O)c1ccc(N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I23 mock treatment 0.411 -0.0113 -0.36 0.448 0.0188 0.56 0.1418 0.2146 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 I24 mock treatment 0.431 0.00868 0.27 0.434 0.00478 0.14 0.2931 0.9534 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J01 compound treatment 0.459 0.0367 1.15 0.457 0.0278 0.82 1.3976 0.9863 1479505 TimTec1_001607 OCCOc1c(Cl)cc(Cl)c2cccnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J02 compound treatment 0.421 -0.00132 -0.04 0.43 7.81E-4 0.02 -0.013 -0.2739 1009854 TimTec1_001608 COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J03 compound treatment 0.42 -0.00232 -0.07 0.421 -0.00822 -0.24 -0.2238 -0.8804 3082941 TimTec1_001609 Cc1sc(/N=C/c2ccc(Br)s2)c(C(=O)N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J04 compound treatment 0.43 0.00768 0.24 0.412 -0.0172 -0.51 -0.1901 -0.3368 1144212 TimTec1_001610 OC(=O)c1ccc2OCCOCCOCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J05 compound treatment 0.418 -0.00432 -0.14 0.414 -0.0152 -0.45 -0.415 -0.8811 3210921 TimTec1_001611 Cc1nnc(/N=C/2\S/C(=C/c3ccccc3F)/C(=O)N2CC=C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J06 compound treatment 0.455 0.0327 1.03 0.445 0.0158 0.47 1.0572 0.9365 1115371 TimTec1_001612 COc1ccc(cc1)C(N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J07 compound treatment 0.446 0.0237 0.74 0.438 0.00878 0.26 0.7104 0.9008 3083016 TimTec1_001613 Brc1ccc(cc1)N2C(=O)C3ON(C(/C=C/c4ccccc4)C3C2=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J08 compound treatment 0.42 -0.00232 -0.07 0.423 -0.00622 -0.18 -0.1819 -0.9179 1351925 TimTec1_001614 CCOC(=O)c1[nH]c(C(=O)O)c(C(=O)OCc2ccccc2)c1CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J09 compound treatment 0.649 0.227 7.13 0.584 0.155 4.59 8.283 0.9773 3083019 TimTec1_001615 COc1cccc(/N=C/C2=C3N(CCC2)c4ccccc4C3(C)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J10 compound treatment 0.447 0.0247 0.78 0.438 0.00878 0.26 0.7327 0.8952 1286584 TimTec1_001616 O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C4CCCNC4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J11 compound treatment 0.437 0.0147 0.46 0.423 -0.00622 -0.18 0.196 0.3945 1208195 TimTec1_001617 NNC(=O)c1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J12 compound treatment 0.425 0.00268 0.08 0.422 -0.00722 -0.21 -0.0917 -0.399 3083022 TimTec1_001618 CC(N)(Cc1ccc2OCOc2c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J13 compound treatment 0.413 -0.00932 -0.29 0.416 -0.0132 -0.39 -0.4842 -0.9898 3210922 TimTec1_001619 CN(C)c1ccc(/C=C\2/C(=NN(C2=O)c3nnc(C)c(=O)[nH]3)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J14 compound treatment 0.442 0.0197 0.62 0.442 0.0128 0.38 0.7053 0.9723 1414476 TimTec1_001620 Cc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J15 compound treatment 0.446 0.0237 0.74 0.466 0.0368 1.09 1.2971 0.9827 1395626 TimTec1_001621 CC1C(=O)CCC2C(C)(COc3ccc4ccc(=O)oc4c3)CCCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J16 compound treatment 0.413 -0.00932 -0.29 0.41 -0.0192 -0.57 -0.61 -0.9523 1361860 TimTec1_001622 CC1(C)COC(OC1)c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J17 compound treatment 0.424 0.00168 0.05 0.427 -0.00222 -0.07 -0.0092 -0.1091 3083025 TimTec1_001623 CC(=CC(=O)Nc1ccc(Cl)cc1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J18 compound treatment 0.417 -0.00532 -0.17 0.442 0.0128 0.38 0.1495 0.361 3210923 TimTec1_001624 COc1ccccc1C(=O)N(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J19 compound treatment 0.418 -0.00432 -0.14 0.438 0.00878 0.26 0.0879 0.2994 1015339 TimTec1_001625 OC(c1ccccc1)C(O)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J20 compound treatment 0.413 -0.00932 -0.29 0.44 0.0108 0.32 0.0186 0.0429 1921357 TimTec1_001626 Brc1ccccc1C2OCC3(CO2)COC(OC3)c4ccccc4Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J21 compound treatment 0.409 -0.0133 -0.42 0.425 -0.00422 -0.13 -0.3846 -0.8798 3083029 TimTec1_001627 C[C@]1(CCC[C@]2(C)[C@H]3CC(O)[C@](C)(C=C)C=C3CC[C@@H]12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J22 compound treatment 0.431 0.00868 0.27 0.435 0.00578 0.17 0.3141 0.9748 1236876 TimTec1_001628 OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J23 mock treatment 0.415 -0.00732 -0.23 0.443 0.0138 0.41 0.1259 0.2687 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 J24 mock treatment 0.443 0.0207 0.65 0.454 0.0248 0.73 0.979 0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K01 compound treatment 0.468 0.0457 1.44 0.515 0.0858 2.54 2.8129 0.9635 1634606 TimTec1_001629 CCn1c(=O)c2C(=Nc3cc(C)ccc3Oc2c4ccccc14)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K02 compound treatment 0.423 6.77E-4 0.02 0.491 0.0618 1.83 1.3095 0.7153 3083031 TimTec1_001630 COc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K03 compound treatment 0.45 0.0277 0.87 0.515 0.0858 2.54 2.4127 0.898 3210924 TimTec1_001631 COc1ccc(cc1)C2CC(=NC(=N)N2)c3cc(OC)cc(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K04 compound treatment 0.414 -0.00832 -0.26 0.427 -0.00222 -0.07 -0.2315 -0.8581 3210925 TimTec1_001632 OC(=O)c1cccc(c1)c2ccc(/C=N\n3cnnc3)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K05 compound treatment 0.427 0.00468 0.15 0.444 0.0148 0.44 0.4137 0.8954 1250333 TimTec1_001633 CCOC(=O)CSc1cc(Cl)c2cccc(C)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K06 compound treatment 0.417 -0.00532 -0.17 0.422 -0.00722 -0.21 -0.2696 -0.9926 1029874 TimTec1_001634 CCOC(=O)C1(O)c2ccccc2-c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K07 compound treatment 0.439 0.0167 0.52 1.483 1.05 31.23 22.4504 0.7189 1426581 TimTec1_001635 CC(C)c1cc(NC(=O)c2ccccc2)c(C)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K08 compound treatment 0.439 0.0167 0.52 0.431 0.00178 0.05 0.4081 0.7744 1278979 TimTec1_001636 CN(C)c1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K09 compound treatment 0.41 -0.0123 -0.39 0.423 -0.00622 -0.18 -0.4043 -0.9423 3083036 TimTec1_001637 OC(=O)/C=C\C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K10 compound treatment 0.42 -0.00232 -0.07 0.418 -0.0112 -0.33 -0.2867 -0.8424 1138966 TimTec1_001638 O=C(NC1CCCCC1)c2c[nH]c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K11 compound treatment 0.462 0.0397 1.25 0.467 0.0378 1.12 1.6738 0.9985 3210926 TimTec1_001639 CN(C1CCCCC1)C(=O)CCCOc2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K12 compound treatment 0.435 0.0127 0.4 0.437 0.00778 0.23 0.4449 0.9661 1449748 TimTec1_001640 Fc1ccc(cc1)C2C(C3C=Cc4ccccc4N3C2(C#N)C#N)C(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K13 compound treatment 0.421 -0.00132 -0.04 0.42 -0.00922 -0.27 -0.2226 -0.8055 3083110 TimTec1_001641 CS(=O)(=O)c1ccc(s1)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K14 compound treatment 0.466 0.0437 1.37 0.449 0.0198 0.59 1.3856 0.9279 1649383 TimTec1_001642 Cc1ccc(s1)C2C3CCCC=C3C(C#N)C(N)C2(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K15 compound treatment 0.428 0.00568 0.18 0.424 -0.00522 -0.15 0.0169 0.0715 3083113 TimTec1_001643 CC1(C)C(c2nc(no2)c3ccc(Br)cc3)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K16 compound treatment 0.446 0.0237 0.74 0.442 0.0128 0.38 0.7942 0.9509 1072463 TimTec1_001644 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K17 compound treatment 0.415 -0.00732 -0.23 0.419 -0.0102 -0.3 -0.3769 -0.9909 3083115 TimTec1_001645 COc1cc(/C=N/c2nonc2NC(=O)C)ccc1OC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K18 compound treatment 0.403 -0.0193 -0.61 0.417 -0.0122 -0.36 -0.6856 -0.9694 1266444 TimTec1_001646 OC(=O)c1ccc(COc2ccccc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K19 compound treatment 0.433 0.0107 0.34 0.437 0.00778 0.23 0.4004 0.9832 1199220 TimTec1_001647 COc1ccc(cc1)C2C(C(=O)N)C2(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K20 compound treatment 0.426 0.00368 0.12 0.412 -0.0172 -0.51 -0.279 -0.5333 3083117 TimTec1_001648 CCNC(=S)Nc1c(C)cccc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K21 compound treatment 0.407 -0.0153 -0.48 0.406 -0.0232 -0.69 -0.8272 -0.9848 3210927 TimTec1_001649 O=C/1/C(=C/c2cccc3OCOc32)/CCC\C1=C/c4cccc5OCOc54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K22 compound treatment 0.416 -0.00632 -0.2 0.414 -0.0152 -0.45 -0.4594 -0.9323 1204849 TimTec1_001650 Oc1ccc2c(=O)c(coc2c1CN3CCCCC3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K23 mock treatment 0.414 -0.00832 -0.26 0.422 -0.00722 -0.21 -0.3363 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 K24 mock treatment 0.447 0.0247 0.78 0.434 0.00478 0.14 0.6489 0.8226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L01 compound treatment 0.445 0.0227 0.71 0.497 0.0678 2.01 1.9244 0.9029 1427041 TimTec1_001651 C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L02 compound treatment 0.409 -0.0133 -0.42 0.442 0.0128 0.38 -0.0284 -0.0503 1045556 TimTec1_001652 COc1ccc2[n+]([O-])cccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L03 compound treatment 0.432 0.00968 0.3 0.448 0.0188 0.56 0.6087 0.9597 3210928 TimTec1_001653 O=C(N1CCN(CC1)C2=NC(=O)/C(=C/c3cccs3)/S2)c4cc5ccccc5oc4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L04 compound treatment 0.412 -0.0103 -0.32 0.494 0.0648 1.92 1.1278 0.5793 3083122 TimTec1_001654 COc1ccc(/C=C/C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L05 compound treatment 0.463 0.0407 1.28 0.574 0.145 4.29 3.938 0.8797 1566626 TimTec1_001655 Fc1ccc(cc1)C(CC(=O)c2cccs2)SCc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L06 compound treatment 0.416 -0.00632 -0.2 0.465 0.0358 1.06 0.6091 0.5647 1449697 TimTec1_001656 CC1Cc2cc(OCC(=O)O)ccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L07 compound treatment 0.418 -0.00432 -0.14 0.443 0.0138 0.41 0.1926 0.4476 3083124 TimTec1_001657 NC1=Cc2ccccc2CN1c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L08 compound treatment 0.413 -0.00932 -0.29 0.447 0.0178 0.53 0.1653 0.2741 3210929 TimTec1_001658 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccccc3C(=O)O)C2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L09 compound treatment 0.437 0.0147 0.46 0.428 -0.00122 -0.04 0.3008 0.6498 1667441 TimTec1_001659 NC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L10 compound treatment 0.455 0.0327 1.03 0.459 0.0298 0.88 1.3505 0.9971 1921446 TimTec1_001660 CC1=CC(=O)N(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L11 compound treatment 0.52 0.0977 3.07 0.502 0.0728 2.16 3.6967 0.985 1703270 TimTec1_001661 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1Cc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L12 compound treatment 0.457 0.0347 1.09 0.46 0.0308 0.91 1.416 0.9961 1414477 TimTec1_001662 CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc2c[nH]c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L13 compound treatment 0.458 0.0357 1.12 0.455 0.0258 0.76 1.3334 0.9825 1436746 TimTec1_001663 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1CCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L14 compound treatment 0.422 -3.23E-4 -0.01 0.409 -0.0202 -0.6 -0.4308 -0.719 1148985 TimTec1_001664 CCCCC1(SCCS1)c2cc(O)cc(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L15 compound treatment 0.417 -0.00532 -0.17 0.415 -0.0142 -0.42 -0.4163 -0.9182 3083129 TimTec1_001665 Nc1cccc(c1)C2=NCCN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L16 compound treatment 0.419 -0.00332 -0.1 0.418 -0.0112 -0.33 -0.3089 -0.8866 3211052 TimTec1_001666 CNC(=S)Nc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L17 compound treatment 0.49 0.0677 2.13 0.455 0.0258 0.76 2.0449 0.9044 3083131 TimTec1_001667 Cc1nc2ccc(Cl)cc2n1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L18 compound treatment 0.467 0.0447 1.4 0.466 0.0368 1.09 1.764 0.9921 1188527 TimTec1_001668 CN1CCCc2cc(ccc12)c3ccnc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L19 compound treatment 0.408 -0.0143 -0.45 0.411 -0.0182 -0.54 -0.7002 -0.9959 3211053 TimTec1_001669 CC(C)/C=c\1/[nH]c(=O)/c(=C/c2ccccc2)/[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L20 compound treatment 0.417 -0.00532 -0.17 0.417 -0.0122 -0.36 -0.3744 -0.9385 3083134 TimTec1_001670 CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L21 compound treatment 0.422 -3.23E-4 -0.01 0.417 -0.0122 -0.36 -0.2632 -0.7266 3211054 TimTec1_001671 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N5CCCC[C@H]1[C@H]35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L22 compound treatment 0.418 -0.00432 -0.14 0.399 -0.0302 -0.9 -0.7293 -0.8052 1341798 TimTec1_001672 O=C(Nc1ccccc1)OCC2(C(=O)c3ccccc3C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L23 mock treatment 0.403 -0.0193 -0.61 0.405 -0.0242 -0.72 -0.9371 -0.9966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 L24 mock treatment 0.427 0.00468 0.15 0.434 0.00478 0.14 0.2042 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M01 compound treatment 0.466 0.0437 1.37 0.528 0.0988 2.93 3.0409 0.9405 3083213 TimTec1_001673 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M02 compound treatment 0.433 0.0107 0.34 0.45 0.0208 0.62 0.6728 0.9593 3211055 TimTec1_001674 Clc1ccc(cc1)C(CC(=O)c2ccc(Br)cc2)C3CCCCC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M03 compound treatment 0.454 0.0317 1.0 0.482 0.0528 1.56 1.8102 0.9763 3083215 TimTec1_001675 COc1ccc2CCC3[C@@](C)(CO)CCC[C@]3(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M04 compound treatment 0.434 0.0117 0.37 0.46 0.0308 0.91 0.9046 0.92 3211056 TimTec1_001676 COc1cc(/C=N\n2nnnc2N)cc(Cl)c1OCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M05 compound treatment 0.428 0.00568 0.18 0.423 -0.00622 -0.18 -0.0041 -0.0159 1459549 TimTec1_001677 C=CCCN1C[C@@H]2CC(C1)c3cccc(=O)n3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M06 compound treatment 0.406 -0.0163 -0.51 0.427 -0.00222 -0.07 -0.4094 -0.7912 1091851 TimTec1_001678 CC1=C(SCCO1)C(=O)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M07 compound treatment 0.432 0.00968 0.3 0.463 0.0338 1.0 0.923 0.8822 3083218 TimTec1_001679 OCn1nc(oc1=S)c2ccc(Cl)cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M08 compound treatment 0.46 0.0377 1.18 0.506 0.0768 2.28 2.4465 0.9538 3211058 TimTec1_001680 CN(C)c1ccc(cc1)N/2CC(=O)S\C2=N\C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M09 compound treatment 0.441 0.0187 0.59 0.495 0.0658 1.95 1.7936 0.881 1163310 TimTec1_001681 CN(C(=O)CSc1ccccc1C(=O)O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M10 compound treatment 0.457 0.0347 1.09 0.538 0.109 3.22 3.0503 0.8964 1289766 TimTec1_001682 Cc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M11 compound treatment 0.437 0.0147 0.46 0.495 0.0658 1.95 1.7046 0.851 3211059 TimTec1_001683 O=C/1ON=C(\C1=C\C=C\c2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M12 compound treatment 0.492 0.0697 2.19 0.532 0.103 3.05 3.7027 0.9869 1227323 TimTec1_001684 O=C(C1C(c2cccnc2)C(C#N)(C#N)C3C=Cc4ccccc4N13)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M13 compound treatment 0.437 0.0147 0.46 0.469 0.0398 1.18 1.1599 0.9162 1914043 TimTec1_001685 CCSc1sc(CN(C)C)cc1/C=N/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M14 compound treatment 0.45 0.0277 0.87 0.451 0.0218 0.65 1.0718 0.9892 1340838 TimTec1_001686 CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2C1c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M15 compound treatment 0.461 0.0387 1.22 0.487 0.0578 1.71 2.0706 0.986 1362482 TimTec1_001687 Nc1nonc1NC(=O)CSc2ncccc2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M16 compound treatment 0.411 -0.0113 -0.36 0.439 0.00978 0.29 -0.0468 -0.1019 1375046 TimTec1_001688 NNC(=O)CSCc1ccc(Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M17 compound treatment 0.441 0.0187 0.59 0.43 7.81E-4 0.02 0.4316 0.7344 1460899 TimTec1_001689 CC(=O)Nc1nonc1N2CCCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M18 compound treatment 0.438 0.0157 0.49 0.434 0.00478 0.14 0.4488 0.8749 1065783 TimTec1_001690 CNC(=S)Nc1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M19 compound treatment 0.42 -0.00232 -0.07 0.422 -0.00722 -0.21 -0.2029 -0.8976 1042406 TimTec1_001691 Clc1ccc(NC(=O)NC2CCCCC2)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M20 compound treatment 0.393 -0.0293 -0.92 0.396 -0.0332 -0.98 -1.348 -0.9995 1082102 TimTec1_001692 COc1ccc(NC(=S)Nc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M21 compound treatment 0.469 0.0467 1.47 0.482 0.0528 1.56 2.1437 0.9995 3211060 TimTec1_001693 CN1C/C(=C\c2ccccc2C)/C(=O)\C(=C\c3ccccc3C)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M22 compound treatment 0.428 0.00568 0.18 0.435 0.00578 0.17 0.2474 0.9998 3083226 TimTec1_001694 O=C(/C(=C\1/NC(=O)c2ccccc2N1)/C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M23 mock treatment 0.419 -0.00332 -0.1 0.425 -0.00422 -0.13 -0.1623 -0.996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 M24 mock treatment 0.442 0.0197 0.62 0.442 0.0128 0.38 0.7053 0.9723 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N01 compound treatment 0.445 0.0227 0.71 0.442 0.0128 0.38 0.772 0.9562 1397605 TimTec1_001695 Cc1ccc(cc1)N(C2CCS(=O)(=O)C2)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N02 compound treatment 0.438 0.0157 0.49 0.431 0.00178 0.05 0.3859 0.7784 1024491 TimTec1_001696 COC(=O)c1ccc(=O)oc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N03 compound treatment 0.445 0.0227 0.71 0.444 0.0148 0.44 0.8139 0.9726 3211061 TimTec1_001697 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N04 compound treatment 0.423 6.77E-4 0.02 0.613 0.184 5.45 3.8658 0.7099 3083229 TimTec1_001698 Brc1cccc(c1)C(=O)C2=CC3Cc4ccccc4C3C=C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N05 compound treatment 0.673 0.251 7.88 0.51 0.0808 2.39 7.2661 0.8821 1440003 TimTec1_001699 CCc1cc(c2n[nH]c(CCC(=O)O)c2c3nc4ccccc4n3C)c(O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N06 compound treatment 0.418 -0.00432 -0.14 0.528 0.0988 2.93 1.9736 0.6735 3083231 TimTec1_001700 OC(=O)C1(SCCCS1)C2CCC3OCOC3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N07 compound treatment 0.442 0.0197 0.62 0.517 0.0878 2.6 2.2768 0.8515 1108575 TimTec1_001701 C[N+](=Cc1ccc(C#N)cc1)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N08 compound treatment 0.435 0.0127 0.4 0.48 0.0508 1.5 1.3459 0.8646 1363444 TimTec1_001702 OC(CN1C(=O)c2ccccc2C1=O)CN3CCN(CC3)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N09 compound treatment 0.421 -0.00132 -0.04 0.44 0.0108 0.32 0.1965 0.6099 1864240 TimTec1_001703 COc1cc(/C=C(\C#N)/c2ccc(Cl)cc2)ccc1OC(=O)C3COc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N10 compound treatment 0.432 0.00968 0.3 0.453 0.0238 0.7 0.7134 0.9295 3082142 TimTec1_001704 CC(=O)O/C(=C\c1cn(C(=O)C)c2ccccc12)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N11 compound treatment 0.442 0.0197 0.62 0.465 0.0358 1.06 1.1872 0.9671 1722000 TimTec1_001705 Cc1cccc(c1)N2C(=O)c3sc4nccc(=O)n4c3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N12 compound treatment 0.477 0.0547 1.72 0.486 0.0568 1.68 2.4054 0.9999 1517994 TimTec1_001706 Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c4ccccc4)c5ccccc5)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N13 compound treatment 0.414 -0.00832 -0.26 0.444 0.0148 0.44 0.1247 0.2443 3082144 TimTec1_001707 Fc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N14 compound treatment 0.431 0.00868 0.27 0.47 0.0408 1.21 1.0474 0.8455 1606324 TimTec1_001708 CN(C)c1nc2ccc(OCCN3CCOCC3)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N15 compound treatment 0.426 0.00368 0.12 0.504 0.0748 2.22 1.6486 0.743 3082146 TimTec1_001709 CC(CC(=O)O)n1ccnc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N16 compound treatment 0.361 -0.0613 -1.93 0.409 -0.0202 -0.6 -1.7871 -0.8851 3211063 TimTec1_001710 CCNC(=S)Nc1ccc(F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N17 compound treatment 0.419 -0.00332 -0.1 0.443 0.0138 0.41 0.2149 0.5098 3082148 TimTec1_001711 C(CSc1nc2ccccc2o1)Sc3nc4ccccc4o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N18 compound treatment 0.43 0.00768 0.24 0.452 0.0228 0.68 0.648 0.9039 1722403 TimTec1_001712 OC(OCC1Cc2ccccc2O1)C3Cc4ccccc4O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N19 compound treatment 0.422 -3.23E-4 -0.01 0.43 7.81E-4 0.02 0.0092 0.3639 3211064 TimTec1_001713 COc1ccc(/C=c/2\[nH]c(=O)\c(=C/c3ccc(OC)cc3)\[nH]c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N20 compound treatment 0.642 0.22 6.91 0.491 0.0618 1.83 6.1788 0.8647 1707203 TimTec1_001714 Cc1cccc(Nc2nc3nonc3nc2Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N21 compound treatment 0.444 0.0217 0.68 0.444 0.0148 0.44 0.7917 0.9771 3211065 TimTec1_001715 CC(C)(C)C1(O)C=C(O)C(=O)N1c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N22 compound treatment 0.414 -0.00832 -0.26 0.419 -0.0102 -0.3 -0.3992 -0.9974 1565579 TimTec1_001716 O=C(OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cc5ccccc5oc4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N23 mock treatment 0.417 -0.00532 -0.17 0.43 7.81E-4 0.02 -0.102 -0.6036 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 N24 mock treatment 0.453 0.0307 0.96 0.455 0.0258 0.76 1.2223 0.9933 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O01 compound treatment 0.487 0.0647 2.03 0.512 0.0828 2.45 3.1725 0.9957 3211066 TimTec1_001717 CC1=C(C)C2C(=NC(=NC2=O)c3ccc(o3)c4ccc(cc4)C(=O)O)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O02 compound treatment 0.449 0.0267 0.84 0.449 0.0198 0.59 1.0076 0.9846 3082153 TimTec1_001718 CCOC(=O)c1[nH]c(C)c(CC(C)C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O03 compound treatment 0.426 0.00368 0.12 0.441 0.0118 0.35 0.3286 0.8936 1487341 TimTec1_001719 COc1ccc(NC(c2ccc(C)cc2)n3ncc4c(=O)n(C)c5ccccc5c34)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O04 compound treatment 0.447 0.0247 0.78 0.464 0.0348 1.03 1.2774 0.9902 3082155 TimTec1_001720 Cc1sc2NC(NC(=O)c2c1C)/C=C/c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O05 compound treatment 0.445 0.0227 0.71 0.473 0.0438 1.3 1.4215 0.9603 3211067 TimTec1_001721 CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C(=O)Nc4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O06 compound treatment 0.511 0.0887 2.79 0.432 0.00278 0.08 2.0299 0.7277 1300191 TimTec1_001722 C(Nc1ncnc2nc[nH]c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O07 compound treatment 0.45 0.0277 0.87 0.439 0.00978 0.29 0.8203 0.8943 3211068 TimTec1_001723 Cc1nn(c(C)c1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O08 compound treatment 0.461 0.0387 1.22 0.458 0.0288 0.85 1.463 0.9849 1782754 TimTec1_001724 OC(=O)c1c[nH]c2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O09 compound treatment 0.44 0.0177 0.56 0.436 0.00678 0.2 0.5351 0.9054 1165165 TimTec1_001725 C=CCn1nnnc1SCc2cccc(CSc3nnnn3CC=C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O10 compound treatment 0.527 0.105 3.29 0.483 0.0538 1.59 3.4542 0.9446 1284834 TimTec1_001726 CCc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O11 compound treatment 0.44 0.0177 0.56 0.447 0.0178 0.53 0.7656 0.9996 3209092 TimTec1_001727 OC(=O)c1ccc(N/C=C/2\C(=O)ON=C2c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O12 compound treatment 0.454 0.0317 1.0 0.434 0.00478 0.14 0.8045 0.7996 1145898 TimTec1_001728 Nc1nc2CCCCCc2c(c1C#N)c3cccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O13 compound treatment 0.449 0.0267 0.84 0.439 0.00978 0.29 0.7981 0.8993 3209093 TimTec1_001729 Cc1cc(C(=O)O)c(s1)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O14 compound treatment 0.448 0.0257 0.81 0.451 0.0218 0.65 1.0273 0.9938 1667092 TimTec1_001730 COc1ccc(cc1)c2c[nH]c(=N)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O15 compound treatment 0.471 0.0487 1.53 0.447 0.0178 0.53 1.4549 0.8988 1602686 TimTec1_001731 Nc1nonc1NC(=O)CSC2=NCCS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O16 compound treatment 0.44 0.0177 0.56 0.437 0.00778 0.23 0.5561 0.9241 1216965 TimTec1_001732 COc1ccc(cc1OC)S(=O)(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O17 compound treatment 0.44 0.0177 0.56 0.433 0.00378 0.11 0.4723 0.8329 3209094 TimTec1_001733 CC(=O)Nc1nonc1Nc2csc(CC#N)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O18 compound treatment 0.441 0.0187 0.59 0.446 0.0168 0.5 0.7669 0.9966 3082865 TimTec1_001734 Cc1cccc(C)c1NS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O19 compound treatment 0.487 0.0647 2.03 0.495 0.0658 1.95 2.8163 0.9998 3209095 TimTec1_001735 OC(=O)Nc1cc(Cl)cc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O20 compound treatment 0.454 0.0317 1.0 0.445 0.0158 0.47 1.035 0.9406 3082867 TimTec1_001736 OC(=O)c1ccc(/N=C/c2ccc(o2)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O21 compound treatment 0.444 0.0217 0.68 0.446 0.0168 0.5 0.8336 0.988 1913174 TimTec1_001737 CN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O22 compound treatment 0.435 0.0127 0.4 0.456 0.0268 0.79 0.843 0.9493 1594528 TimTec1_001738 NC(=O)c1ccc(OC2CSC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O23 mock treatment 0.443 0.0207 0.65 0.445 0.0158 0.47 0.7904 0.9869 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 O24 mock treatment 0.445 0.0227 0.71 0.455 0.0258 0.76 1.0444 0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P01 compound treatment 0.531 0.109 3.42 0.479 0.0498 1.48 3.4594 0.9294 1562676 TimTec1_001739 S=c1oc(Cc2ccccc2)nn1CN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P02 compound treatment 0.454 0.0317 1.0 0.443 0.0138 0.41 0.9931 0.9225 1066227 TimTec1_001740 CC(=O)Nc1nc(C)cs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P03 compound treatment 0.407 -0.0153 -0.48 0.396 -0.0332 -0.98 -1.0367 -0.946 3209096 TimTec1_001741 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P04 compound treatment 0.662 0.24 7.54 0.586 0.157 4.65 8.614 0.973 1472764 TimTec1_001742 OCCNC(=O)c1ccc2OCCOCCOCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P05 compound treatment 0.464 0.0417 1.31 0.463 0.0338 1.0 1.6345 0.9912 1707455 TimTec1_001743 C(N1CCCc2ccccc12)c3cn4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P06 compound treatment 0.475 0.0527 1.66 0.457 0.0278 0.82 1.7533 0.9479 1631427 TimTec1_001744 COc1ccc2c(CCC3=C(C)C(=O)CCC32C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P07 compound treatment 0.582 0.16 5.02 0.54 0.111 3.28 5.8714 0.9788 1684686 TimTec1_001745 N1C(Nc2cccc3cccc1c23)c4ccncc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P08 compound treatment 0.505 0.0827 2.6 0.495 0.0658 1.95 3.2165 0.9899 1244779 TimTec1_001746 C(OCc1ccccc1)C(CSc2ccccc2)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P09 compound treatment 0.493 0.0707 2.22 0.491 0.0618 1.83 2.8659 0.9954 3082946 TimTec1_001747 Clc1ccccc1/C=C/C(=O)Nc2nnc[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P10 compound treatment 0.504 0.0817 2.57 0.5 0.0708 2.1 3.2991 0.9949 3209097 TimTec1_001748 O=C/1OC(=N\C1=C/c2c[nH]c3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P11 compound treatment 0.486 0.0637 2.0 0.482 0.0528 1.56 2.5217 0.9925 1718471 TimTec1_001749 CCCc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P12 compound treatment 0.482 0.0597 1.88 0.478 0.0488 1.45 2.349 0.9917 1434439 TimTec1_001750 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P13 compound treatment 0.451 0.0287 0.9 0.459 0.0298 0.88 1.2616 0.9999 3209098 TimTec1_001751 Cc1nnc(C)n1/N=C/C=C\c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P14 compound treatment 0.459 0.0367 1.15 0.442 0.0128 0.38 1.0833 0.8924 1284591 TimTec1_001752 CS(=O)(=O)Cc1ccc(Oc2ccc(NS(=O)(=O)C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P15 compound treatment 0.509 0.0867 2.73 0.511 0.0818 2.42 3.6407 0.9983 1689423 TimTec1_001753 COc1cc-2c(CC3N(C)CCc4c(OC)c(OC)c(OC)c2c34)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P16 compound treatment 0.464 0.0417 1.31 0.458 0.0288 0.85 1.5297 0.9783 3082952 TimTec1_001754 CCNC(=S)N1CCOCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P17 compound treatment 0.455 0.0327 1.03 0.45 0.0208 0.62 1.162 0.97 1735540 TimTec1_001755 CCCCn1c(=O)oc2cc(Br)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P18 compound treatment 0.524 0.102 3.2 0.513 0.0838 2.48 4.0161 0.9922 3209099 TimTec1_001756 FC(F)(F)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P19 compound treatment 0.461 0.0387 1.22 0.455 0.0258 0.76 1.4001 0.9749 3082954 TimTec1_001757 CCN1CC(=O)N(C1=S)c2ccccc2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P20 compound treatment 0.466 0.0437 1.37 0.456 0.0268 0.79 1.5323 0.966 1412266 TimTec1_001758 CC(=O)n1c2ccc(C)cc2c3nc4ccccc4nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P21 compound treatment 0.455 0.0327 1.03 0.456 0.0268 0.79 1.2877 0.9919 3209100 TimTec1_001759 Cc1cn(C2CC(NC(=O)C(C)(C)C)C(CO)O2)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P22 compound treatment 0.476 0.0537 1.69 0.492 0.0628 1.86 2.5089 0.9988 1065752 TimTec1_001760 O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P23 mock treatment 0.464 0.0417 1.31 0.47 0.0408 1.21 1.7811 0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2067 P24 mock treatment 0.488 0.0657 2.07 0.491 0.0618 1.83 2.7547 0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A01 compound treatment 0.513 0.0141 0.44 0.49 -0.00531 -0.16 0.2023 0.4298 1440335 TimTec1_002465 COc1ccc2N(C(=O)CN3C(=O)CCC3=O)C(C)(C)C=C(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A02 compound treatment 0.485 -0.0139 -0.44 0.48 -0.0153 -0.45 -0.6298 -0.9998 3210671 TimTec1_002466 Oc1ccccc1/C=N/c2ccc(cc2)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A03 compound treatment 0.508 0.0091 0.29 0.489 -0.00631 -0.19 0.0701 0.2051 1235611 TimTec1_002467 CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A04 compound treatment 0.522 0.0231 0.73 0.521 0.0257 0.76 1.0519 0.9997 3210672 TimTec1_002468 CC(NC(=O)/C=C/c1cccc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A05 compound treatment 0.492 -0.0069 -0.22 0.489 -0.00631 -0.19 -0.2856 -0.9973 3210673 TimTec1_002469 C[S+](C)c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A06 compound treatment 0.5 0.0011 0.03 0.515 0.0197 0.58 0.437 0.7478 3083610 TimTec1_002470 COC(=O)COc1c(C)cc(Br)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A07 compound treatment 0.53 0.0311 0.98 0.506 0.0107 0.32 0.9155 0.8906 3210674 TimTec1_002471 Oc1cc(=O)n(n2c(=O)cc(O)n(c3ccccc3)c2=S)c(=S)n1c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A08 compound treatment 0.508 0.0091 0.29 0.496 6.88E-4 0.02 0.2168 0.7555 1664815 TimTec1_002472 Cn1c(Cl)c(CN)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A09 compound treatment 0.528 0.0291 0.92 0.528 0.0327 0.97 1.332 0.9996 3083613 TimTec1_002473 CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n3c1ccc4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A10 compound treatment 0.521 0.0221 0.7 0.504 0.00869 0.26 0.6735 0.9087 3210675 TimTec1_002474 COc1ccc2ccccc2c1/C=N/c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A11 compound treatment 0.521 0.0221 0.7 0.49 -0.00531 -0.16 0.3801 0.5334 3210676 TimTec1_002475 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)/C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A12 compound treatment 0.515 0.0161 0.51 0.496 6.88E-4 0.02 0.3724 0.735 3083616 TimTec1_002476 CCn1c2ccccc2c3cc(/C=N/c4cccc(C#N)c4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A13 compound treatment 0.511 0.0121 0.38 0.502 0.00669 0.2 0.4092 0.9537 1250862 TimTec1_002477 CC(N1C(=O)c2ccccc2C1=O)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A14 compound treatment 0.501 0.0021 0.07 0.493 -0.00231 -0.07 -0.0017 -0.0177 1382898 TimTec1_002478 NC(=O)c1cccc(c1)N2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A15 compound treatment 0.508 0.0091 0.29 0.505 0.00969 0.29 0.4054 1.0 3210677 TimTec1_002479 Cc1ccc(C(=O)c2ccn(n2)C(=O)c3ccc(F)cc3)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A16 compound treatment 0.517 0.0181 0.57 0.507 0.0117 0.35 0.6474 0.9716 3083617 TimTec1_002480 COc1cc(OC)c(/C=N/O)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A17 compound treatment 0.478 -0.0209 -0.66 0.456 -0.0393 -1.16 -1.2883 -0.9633 3210678 TimTec1_002481 Clc1cc(NC(=O)C2CC2)ccc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A18 compound treatment 0.527 0.0281 0.88 0.506 0.0107 0.32 0.8488 0.9042 3210679 TimTec1_002482 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc4ccccc4c3)c1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A19 compound treatment 0.531 0.0321 1.01 0.483 -0.0123 -0.36 0.4558 0.4247 3083619 TimTec1_002483 CCOc1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A20 compound treatment 0.54 0.0411 1.29 0.525 0.0297 0.88 1.5359 0.9824 1596328 TimTec1_002484 Oc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A21 compound treatment 0.494 -0.0049 -0.15 0.485 -0.0103 -0.31 -0.3249 -0.9497 3210680 TimTec1_002485 CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A22 compound treatment 0.502 0.0031 0.1 0.479 -0.0163 -0.48 -0.2728 -0.5532 3210681 TimTec1_002486 CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(c2ccc(F)cc2)c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A23 mock treatment 0.501 0.0021 0.07 0.48 -0.0153 -0.45 -0.2741 -0.5977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 A24 mock treatment 0.478 -0.0209 -0.66 0.476 -0.0193 -0.57 -0.8693 -0.9976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B01 compound treatment 0.459 -0.0399 -1.25 0.471 -0.0243 -0.72 -1.3965 -0.9653 3210682 TimTec1_002487 CCc1n[nH]c(=O)n1Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B02 compound treatment 0.449 -0.0499 -1.57 0.463 -0.0323 -0.96 -1.7864 -0.9719 1134528 TimTec1_002488 Clc1cccc(NC(=O)NCCN2Cc3ccccc3C2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B03 compound treatment 0.45 -0.0489 -1.54 0.452 -0.0433 -1.28 -1.9947 -0.996 1695505 TimTec1_002489 COC(=O)c1ccccc1NC(=O)c2c(C)nc3ccccn23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B04 compound treatment 0.454 -0.0449 -1.41 0.466 -0.0293 -0.87 -1.6124 -0.9728 1061354 TimTec1_002490 OC(=O)CCCN1C(=O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B05 compound treatment 0.459 -0.0399 -1.25 0.457 -0.0383 -1.14 -1.6898 -0.9988 3210683 TimTec1_002491 C/C(=N\n1cnnc1)/c2ccc(cc2)n3cnnn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B06 compound treatment 0.435 -0.0639 -2.01 0.453 -0.0423 -1.25 -2.3072 -0.9742 1660739 TimTec1_002492 Clc1cccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B07 compound treatment 0.462 -0.0369 -1.16 0.465 -0.0303 -0.9 -1.4555 -0.992 1742832 TimTec1_002493 CCOC(=O)N(C)CCc1cc2OCOc2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B08 compound treatment 0.458 -0.0409 -1.29 0.47 -0.0253 -0.75 -1.4397 -0.9671 3083672 TimTec1_002494 Cc1ccc2nc(=S)nc(c3ccccc3)n2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B09 compound treatment 0.505 0.0061 0.19 0.506 0.0107 0.32 0.3596 0.9712 3210684 TimTec1_002495 N=C1S/C(=C\2/C(=O)NN(C2=O)c3ccccc3)/SC=C1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B10 compound treatment 0.469 -0.0299 -0.94 0.464 -0.0313 -0.93 -1.3208 -1.0 1574189 TimTec1_002496 COc1ccc(cc1)C(C#N)N2N=C(C)CC2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B11 compound treatment 0.629 0.13 4.09 0.598 0.103 3.04 5.0443 0.9894 3083674 TimTec1_002497 O=C1NN=C(CC(N1)c2ccco2)c3cc4ccccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B12 compound treatment 0.462 -0.0369 -1.16 0.472 -0.0233 -0.69 -1.3088 -0.9693 1539134 TimTec1_002498 Sc1nc2cc(ccc2s1)C(=O)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B13 compound treatment 0.463 -0.0359 -1.13 0.453 -0.0423 -1.25 -1.6847 -0.9986 3083676 TimTec1_002499 OCc1cn(nn1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B14 compound treatment 0.483 -0.0159 -0.5 0.468 -0.0273 -0.81 -0.9257 -0.9732 1459359 TimTec1_002500 Clc1ccc(CCN2CC(CC2=O)C(=O)OCC(=O)c3ccc(Cl)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B15 compound treatment 0.454 -0.0449 -1.41 0.461 -0.0343 -1.02 -1.7172 -0.987 1402941 TimTec1_002501 CN(C)Cc1nnnn1CCn2nnnc2CN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B16 compound treatment 0.474 -0.0249 -0.78 0.464 -0.0313 -0.93 -1.2096 -0.9964 3210801 TimTec1_002502 Cc1ccc(C(=O)COC(=O)c2ccc(cc2)n3cnnn3)c(C)c1.Cc1ccc(C)c(c1)C(=O)COC(=O)c2ccc(cc2)n3cnnn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B17 compound treatment 0.475 -0.0239 -0.75 0.458 -0.0373 -1.11 -1.3131 -0.9823 3083678 TimTec1_002503 COC(=O)c1c(C)c(C)[nH]c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B18 compound treatment 0.477 -0.0219 -0.69 0.454 -0.0413 -1.22 -1.3525 -0.963 1544714 TimTec1_002504 CCOc1ccc(c2ccccc12)S(=O)(=O)NCC3CCCO3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B19 compound treatment 0.465 -0.0339 -1.07 0.477 -0.0183 -0.54 -1.1373 -0.951 1721791 TimTec1_002505 CC(C)C(C)(NC(=O)c1cccnc1Oc2ccc(Cl)cc2)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B20 compound treatment 0.424 -0.0749 -2.36 0.467 -0.0283 -0.84 -2.2585 -0.9034 1358324 TimTec1_002506 CCOC(=O)CN(C)c1nc(cs1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B21 compound treatment 0.434 -0.0649 -2.04 0.456 -0.0393 -1.16 -2.2666 -0.9647 1160634 TimTec1_002507 O=C(NCc1nc(cs1)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B22 compound treatment 0.474 -0.0249 -0.78 0.472 -0.0233 -0.69 -1.042 -0.9981 1033354 TimTec1_002508 O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B23 mock treatment 0.461 -0.0379 -1.19 0.456 -0.0393 -1.16 -1.6663 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 B24 mock treatment 0.437 -0.0619 -1.95 0.477 -0.0183 -0.54 -1.7599 -0.871 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C01 compound treatment 0.499 1.03E-4 0.0 0.506 0.0107 0.32 0.2262 0.7143 1317591 TimTec1_002509 Brc1ccccc1OCc2ccc(o2)C(=O)Nc3ccc(I)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C02 compound treatment 0.516 0.0171 0.54 0.505 0.00969 0.29 0.5833 0.9568 3210802 TimTec1_002510 Oc1ccc(Br)cc1/C=N/CCC2=CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C03 compound treatment 0.472 -0.0269 -0.85 0.451 -0.0443 -1.31 -1.5265 -0.9774 3083683 TimTec1_002511 COC(=O)c1ccc(cc1)n2nnnc2SCC(=O)NC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C04 compound treatment 0.515 0.0161 0.51 0.485 -0.0103 -0.31 0.142 0.2401 3210803 TimTec1_002512 O=C(Nc1nccs1)/C=C/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C05 compound treatment 0.491 -0.0079 -0.25 0.438 -0.0573 -1.7 -1.3764 -0.802 1542712 TimTec1_002513 CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C06 compound treatment 0.487 -0.0119 -0.37 0.478 -0.0173 -0.51 -0.6273 -0.988 3083686 TimTec1_002514 COc1cc(/C=N/O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C07 compound treatment 0.501 0.0021 0.07 0.491 -0.00431 -0.13 -0.0436 -0.3029 1452827 TimTec1_002515 O=C(CSc1nc2scc(c3cccs3)c2c(=O)n1c4ccccc4)NCc5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C08 compound treatment 0.482 -0.0169 -0.53 0.485 -0.0103 -0.31 -0.5918 -0.9655 1593834 TimTec1_002516 OCc1ccccc1CN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C09 compound treatment 0.5 0.0011 0.03 0.484 -0.0113 -0.34 -0.2125 -0.6305 1361213 TimTec1_002517 COC(=O)c1cc(c(C)o1)c2cncnc2c3ccc(OC)c(C)c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C10 compound treatment 0.488 -0.0109 -0.34 0.488 -0.00731 -0.22 -0.3955 -0.9756 3210804 TimTec1_002518 COc1ccc2ccccc2c1/C=N/c3cccc(CO)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C11 compound treatment 0.528 0.0291 0.92 0.514 0.0187 0.55 1.0386 0.971 1240365 TimTec1_002519 Clc1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C12 compound treatment 0.496 -0.0029 -0.09 0.473 -0.0223 -0.66 -0.5319 -0.797 3083730 TimTec1_002520 Cc1cc(C)cc(/N=C/c2ccc(C#N)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C13 compound treatment 0.515 0.0161 0.51 0.489 -0.00631 -0.19 0.2258 0.4183 3083732 TimTec1_002521 N/C(=C\C(=O)c1ccc(Br)cc1)/C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C14 compound treatment 0.491 -0.0079 -0.25 0.489 -0.00631 -0.19 -0.3078 -0.9902 3210805 TimTec1_002522 COc1cc(/C=N/c2cc(C)ccc2C)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C15 compound treatment 0.483 -0.0159 -0.5 0.466 -0.0293 -0.87 -0.9676 -0.9656 3210806 TimTec1_002523 CN1CCN(CC1)C(=O)c2ccccc2NC(=O)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C16 compound treatment 0.498 -8.97E-4 -0.03 0.483 -0.0123 -0.36 -0.2779 -0.7595 1638681 TimTec1_002524 Ic1ccc(NC(=O)c2ccccc2C(=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C17 compound treatment 0.504 0.0051 0.16 0.49 -0.00531 -0.16 0.0022 0.0096 3083735 TimTec1_002525 Cc1ccsc1/C=N/c2c(C)cc(C)cc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C18 compound treatment 0.494 -0.0049 -0.15 0.472 -0.0233 -0.69 -0.5973 -0.844 3210807 TimTec1_002526 CC(=O)N/C(=C/c1ccccc1)/C(=O)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C19 compound treatment 0.501 0.0021 0.07 0.476 -0.0193 -0.57 -0.3579 -0.6212 3210808 TimTec1_002527 CCn1c2ccccc2c3cc(/C=N/c4ccc(OC)cc4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C20 compound treatment 0.517 0.0181 0.57 0.478 -0.0173 -0.51 0.0398 0.0519 3083737 TimTec1_002528 COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C21 compound treatment 0.494 -0.0049 -0.15 0.481 -0.0143 -0.42 -0.4088 -0.906 3210809 TimTec1_002529 COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C22 compound treatment 0.502 0.0031 0.1 0.48 -0.0153 -0.45 -0.2518 -0.5426 3083739 TimTec1_002530 CC1=C(CNC(=S)N1)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C23 mock treatment 0.482 -0.0169 -0.53 0.469 -0.0263 -0.78 -0.927 -0.9825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 C24 mock treatment 0.542 0.0431 1.36 0.483 -0.0123 -0.36 0.7004 0.499 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D01 compound treatment 0.483 -0.0159 -0.5 0.488 -0.00731 -0.22 -0.5067 -0.93 3210810 TimTec1_002531 CCCc1nncn1NC(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D02 compound treatment 0.513 0.0141 0.44 0.525 0.0297 0.88 0.9356 0.9497 1545647 TimTec1_002532 CCC1=NCC(=O)Nc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D03 compound treatment 0.616 0.117 3.68 0.606 0.111 3.28 4.9229 0.9983 3210811 TimTec1_002533 O=C/1Nc2ccccc2\C1=N\N3C(=O)CC(=O)CC3=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D04 compound treatment 0.458 -0.0409 -1.29 0.482 -0.0133 -0.39 -1.1882 -0.8834 1629795 TimTec1_002534 O=C(COc1ccccc1C#N)Nc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D05 compound treatment 0.495 -0.0039 -0.12 0.49 -0.00531 -0.16 -0.1979 -0.9923 1595606 TimTec1_002535 Cc1cc(C)n(CNc2c(C)n(C)n(c3ccccc3)c2=O)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D06 compound treatment 0.493 -0.0059 -0.19 0.491 -0.00431 -0.13 -0.2215 -0.9835 1277145 TimTec1_002536 CC1=NN(C(=O)Cc2ccccc2)C(C)(C)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D07 compound treatment 0.507 0.0081 0.25 0.5 0.00469 0.14 0.2784 0.9593 3210812 TimTec1_002537 CC(=O)OC1=NN(N(=C1)O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D08 compound treatment 0.488 -0.0109 -0.34 0.466 -0.0293 -0.87 -0.8564 -0.9173 3210813 TimTec1_002538 CCCc1ccc(OCCNC(=O)c2ccc3ccccc3n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D09 compound treatment 0.493 -0.0059 -0.19 0.472 -0.0233 -0.69 -0.6196 -0.8662 1241793 TimTec1_002539 CCOC(=O)Cn1c2CCC(Cc2sc1=N)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D10 compound treatment 0.47 -0.0289 -0.91 0.491 -0.00431 -0.13 -0.7328 -0.7987 1587827 TimTec1_002540 OC(=O)CC1(CC(=O)NCc2ccc3OCOc3c2)CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D11 compound treatment 0.479 -0.0199 -0.63 0.47 -0.0253 -0.75 -0.9727 -0.9959 3083745 TimTec1_002541 Clc1ccc(CNC(=C(C#N)C#N)Nc2ccccc2)cn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D12 compound treatment 0.491 -0.0079 -0.25 0.48 -0.0153 -0.45 -0.4964 -0.9597 1378435 TimTec1_002542 CCCC(O)(CCC)C(=O)NN1CCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D13 compound treatment 0.51 0.0111 0.35 0.483 -0.0123 -0.36 -0.0111 -0.022 1537190 TimTec1_002543 CCCC(=O)n1c(=O)oc2cc(Br)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D14 compound treatment 0.496 -0.0029 -0.09 0.505 0.00969 0.29 0.1386 0.4601 3083789 TimTec1_002544 COc1ccc(C#N)c(c1)S(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D15 compound treatment 0.489 -0.0099 -0.31 0.49 -0.00531 -0.16 -0.3314 -0.9502 3241 TimTec1_002545 CN1CCCN=C1/C=C/c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D16 compound treatment 0.515 0.0161 0.51 0.488 -0.00731 -0.22 0.2048 0.3719 3083792 TimTec1_002546 CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D17 compound treatment 0.468 -0.0309 -0.97 0.487 -0.00831 -0.25 -0.8611 -0.8592 1551509 TimTec1_002547 C(N1CCOCC1)c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D18 compound treatment 0.483 -0.0159 -0.5 0.48 -0.0153 -0.45 -0.6743 -0.9988 3210815 TimTec1_002548 CCC1(C)OC(=O)N2CCc3ccccc3C21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D19 compound treatment 0.474 -0.0249 -0.78 0.446 -0.0493 -1.46 -1.5868 -0.9572 1026666 TimTec1_002549 Clc1ccccc1NC(=O)Nc2ccccc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D20 compound treatment 0.469 -0.0299 -0.94 0.451 -0.0443 -1.31 -1.5932 -0.9866 3083794 TimTec1_002550 Oc1cc(n[nH]1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D21 compound treatment 0.495 -0.0039 -0.12 0.488 -0.00731 -0.22 -0.2399 -0.9636 1273445 TimTec1_002551 CC(=O)Nc1cc2OCCOc2cc1C(=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D22 compound treatment 0.483 -0.0159 -0.5 0.465 -0.0303 -0.9 -0.9886 -0.9617 1411171 TimTec1_002552 OCCN1CCN(CC1)S(=O)(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D23 mock treatment 0.486 -0.0129 -0.41 0.467 -0.0283 -0.84 -0.88 -0.9444 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 D24 mock treatment 0.498 -8.97E-4 -0.03 0.491 -0.00431 -0.13 -0.1103 -0.8428 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E01 compound treatment 0.476 -0.0229 -0.72 0.493 -0.00231 -0.07 -0.5575 -0.7709 1153857 TimTec1_002553 COc1ccc(NC(=S)N2CCN(C)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E02 compound treatment 0.518 0.0191 0.6 0.518 0.0227 0.67 0.9001 0.9984 1699449 TimTec1_002554 S=C(Nc1sc2CCCc2c1C#N)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E03 compound treatment 0.481 -0.0179 -0.56 0.478 -0.0173 -0.51 -0.7607 -0.9989 1502764 TimTec1_002555 Cc1cc(C)n(n1)C(Nc2cc(C)ccn2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E04 compound treatment 0.527 0.0281 0.88 0.501 0.00569 0.17 0.744 0.8271 1627110 TimTec1_002556 OCc1ccccc1CNc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E05 compound treatment 0.485 -0.0139 -0.44 0.479 -0.0163 -0.48 -0.6508 -0.9987 1382760 TimTec1_002557 CCC(=O)Nc1nc(NC(=O)CC)c2ncn(C(=O)CC)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E06 compound treatment 0.493 -0.0059 -0.19 0.48 -0.0153 -0.45 -0.4519 -0.922 1126108 TimTec1_002558 COc1ccc(CCNc2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E07 compound treatment 0.614 0.115 3.62 0.581 0.0857 2.54 4.3546 0.985 3083800 TimTec1_002559 COc1ccc(cc1)C2=C3NN=C(N)N3NN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E08 compound treatment 0.493 -0.0059 -0.19 0.496 6.88E-4 0.02 -0.1167 -0.6256 1594522 TimTec1_002560 CNCc1cc2ccccc2s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E09 compound treatment 0.512 0.0131 0.41 0.508 0.0127 0.38 0.5572 0.999 3210930 TimTec1_002561 COc1ccc(c(O)c1)c2ncnc(c2c3cscn3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E10 compound treatment 0.511 0.0121 0.38 0.497 0.00169 0.05 0.3045 0.7932 3083802 TimTec1_002562 CCOC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E11 compound treatment 0.479 -0.0199 -0.63 0.474 -0.0213 -0.63 -0.8889 -1.0 1258628 TimTec1_002563 NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E12 compound treatment 0.502 0.0031 0.1 0.471 -0.0243 -0.72 -0.4404 -0.6058 3083804 TimTec1_002564 CCN(CC)c1ccc(/C=N/c2cc(C)cc(C)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E13 compound treatment 0.52 0.0211 0.66 0.512 0.0167 0.49 0.8189 0.9895 3210931 TimTec1_002565 Cc1ccc(O)c(c1)c2cc(no2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E14 compound treatment 0.517 0.0181 0.57 0.498 0.00269 0.08 0.4588 0.7983 1565284 TimTec1_002566 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E15 compound treatment 0.505 0.0061 0.19 0.473 -0.0223 -0.66 -0.3318 -0.482 1532411 TimTec1_002567 O=C(Nc1ccccc1)Nc2ccc(cc2)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E16 compound treatment 0.496 -0.0029 -0.09 0.488 -0.00731 -0.22 -0.2176 -0.9259 1209164 TimTec1_002568 N#Cc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E17 compound treatment 0.499 1.03E-4 0.0 0.498 0.00269 0.08 0.0586 0.7354 1709264 TimTec1_002569 OC(c1cccs1)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E18 compound treatment 0.532 0.0331 1.04 0.52 0.0247 0.73 1.2533 0.9851 3210932 TimTec1_002570 CCn1c2ccccc2c3cc(/C=N/c4ccc(C)cc4O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E19 compound treatment 0.478 -0.0209 -0.66 0.488 -0.00731 -0.22 -0.6178 -0.893 3083808 TimTec1_002571 FC(F)(F)Oc1ccc(/N=C/c2ccc[nH]2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E20 compound treatment 0.479 -0.0199 -0.63 0.479 -0.0163 -0.48 -0.7842 -0.9919 1012470 TimTec1_002572 COc1ccc(CNC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E21 compound treatment 0.494 -0.0049 -0.15 0.483 -0.0123 -0.36 -0.3668 -0.9264 3210933 TimTec1_002573 COC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E22 compound treatment 0.487 -0.0119 -0.37 0.473 -0.0223 -0.66 -0.732 -0.9636 1473837 TimTec1_002574 O=C(NCc1ccco1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E23 mock treatment 0.485 -0.0139 -0.44 0.492 -0.00331 -0.1 -0.3784 -0.8449 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 E24 mock treatment 0.496 -0.0029 -0.09 0.491 -0.00431 -0.13 -0.1548 -0.9862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F01 compound treatment 0.497 -0.0019 -0.06 0.516 0.0207 0.61 0.3913 0.6353 1161969 TimTec1_002575 CN(C)c1ccc(cc1)C2ON2[C@H]3CC[C@H](O)CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F02 compound treatment 0.498 -8.97E-4 -0.03 0.502 0.00669 0.2 0.1202 0.6005 1195693 TimTec1_002576 COc1ccc(cc1OC)C2OC(=O)C(=C(O)C2(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F03 compound treatment 0.588 0.0891 2.8 0.576 0.0807 2.39 3.6717 0.9969 3210934 TimTec1_002577 CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)\C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F04 compound treatment 0.502 0.0031 0.1 0.489 -0.00631 -0.19 -0.0633 -0.2999 1326441 TimTec1_002578 Nc1nonc1OCc2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F05 compound treatment 0.506 0.0071 0.22 0.513 0.0177 0.52 0.5285 0.9277 3210935 TimTec1_002579 Clc1ccc(/C=N/N2C(=O)CNC2=O)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F06 compound treatment 0.486 -0.0129 -0.41 0.508 0.0127 0.38 -0.0209 -0.0378 3083845 TimTec1_002580 CCOC(=O)c1cc(C)[nH]c(=S)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F07 compound treatment 0.497 -0.0019 -0.06 0.495 -3.12E-4 -0.01 -0.0487 -0.8072 3210936 TimTec1_002581 CCOC(=O)C1C(C)NC(=O)N=C1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F08 compound treatment 0.505 0.0061 0.19 0.5 0.00469 0.14 0.2339 0.9874 1507322 TimTec1_002582 COc1ccc(cc1OC)C(=O)CSc2nc(N)cc(=O)[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F09 compound treatment 0.479 -0.0199 -0.63 0.497 0.00169 0.05 -0.407 -0.6485 1564107 TimTec1_002583 Oc1ccccc1SCC(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F10 compound treatment 0.498 -8.97E-4 -0.03 0.521 0.0257 0.76 0.5183 0.6805 1190430 TimTec1_002584 OC(=O)c1ccccc1c2nnn[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F11 compound treatment 0.487 -0.0119 -0.37 0.494 -0.00131 -0.04 -0.292 -0.7764 3210937 TimTec1_002585 Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/3\SCC(=O)N3CC=C)cc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F12 compound treatment 0.513 0.0141 0.44 0.525 0.0297 0.88 0.9356 0.9497 3210938 TimTec1_002586 COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C1c3cccs3)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F13 compound treatment 0.561 0.0621 1.95 0.564 0.0687 2.04 2.82 0.9998 1386655 TimTec1_002587 COc1ccc(OC)c(c1)C(=O)COc2ccccc2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F14 compound treatment 0.501 0.0021 0.07 0.501 0.00569 0.17 0.1659 0.9166 1502288 TimTec1_002588 Nc1nc(=O)n(CCC#N)cc1F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F15 compound treatment 0.498 -8.97E-4 -0.03 0.526 0.0307 0.91 0.6231 0.6849 1508658 TimTec1_002589 CSC1=C(C#N)C2(CCCCC2)C3=C(CCC3)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F16 compound treatment 0.531 0.0321 1.01 0.528 0.0327 0.97 1.3987 0.9998 1232692 TimTec1_002590 Cc1cccc(C)c1NC(=O)C(NC(=O)c2ccc(cc2)n3cnnn3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F17 compound treatment 0.501 0.0021 0.07 0.51 0.0147 0.44 0.3545 0.8053 3083851 TimTec1_002591 COc1ccc(Cl)cc1C(=O)NN2C(=CC(C)(C)NC2=S)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F18 compound treatment 0.505 0.0061 0.19 0.521 0.0257 0.76 0.6739 0.8585 3210939 TimTec1_002592 FC(F)(F)C1(N=C(OC(=N1)N2CCOCC2)N3CCOCC3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F19 compound treatment 0.497 -0.0019 -0.06 0.501 0.00569 0.17 0.077 0.4307 3083853 TimTec1_002593 NC1=NC(=O)C(CC(=O)O)CS1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F20 compound treatment 0.525 0.0261 0.82 0.532 0.0367 1.09 1.3491 0.9904 1554458 TimTec1_002594 CCOC(=O)C1(CCN(CCC(=O)Nc2ccc(cc2)C(=O)OC)CC1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F21 compound treatment 0.474 -0.0249 -0.78 0.465 -0.0303 -0.9 -1.1887 -0.9977 1231612 TimTec1_002595 COc1ccc(cc1)C2C(C)C3(O)CC(C#N)(C(=O)N3)C2(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F22 compound treatment 0.496 -0.0029 -0.09 0.508 0.0127 0.38 0.2014 0.5207 1368021 TimTec1_002596 CC(=O)N(CCOc1ccccc1)CCOc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F23 mock treatment 0.496 -0.0029 -0.09 0.477 -0.0183 -0.54 -0.4481 -0.8144 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 F24 mock treatment 0.516 0.0171 0.54 0.529 0.0337 1.0 1.0861 0.9579 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G01 compound treatment 0.514 0.0151 0.47 0.5 0.00469 0.14 0.434 0.8772 1248844 TimTec1_002597 Cc1ccc(o1)C(=O)NCC2CCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G02 compound treatment 0.448 -0.0509 -1.6 0.453 -0.0423 -1.25 -2.0182 -0.9927 3210940 TimTec1_002598 S=C(Nc1ccccc1)Nc2cccc(C#N)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G03 compound treatment 0.474 -0.0249 -0.78 0.47 -0.0253 -0.75 -1.0839 -0.9998 1385961 TimTec1_002599 Cc1ccc(cc1C)C(=O)COC(=O)c2ccc(cc2)c3nnc(o3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G04 compound treatment 0.48 -0.0189 -0.59 0.48 -0.0153 -0.45 -0.741 -0.9911 1301988 TimTec1_002600 Brc1c(OCC(=O)NCc2ccccc2)ccc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G05 compound treatment 0.562 0.0631 1.98 0.538 0.0427 1.26 2.2975 0.9764 3210941 TimTec1_002601 O=C1CNC(=O)N1/N=C/2\C(=O)Nc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G06 compound treatment 0.511 0.0121 0.38 0.499 0.00369 0.11 0.3464 0.8748 3083899 TimTec1_002602 COc1ccc(CCNCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G07 compound treatment 0.521 0.0221 0.7 0.498 0.00269 0.08 0.5478 0.783 3083901 TimTec1_002603 Cc1c(C#N)c(=O)n(nc1C(=O)O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G08 compound treatment 0.496 -0.0029 -0.09 0.48 -0.0153 -0.45 -0.3852 -0.8324 3210942 TimTec1_002604 Cn1ccnc1C(O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G09 compound treatment 0.498 -8.97E-4 -0.03 0.501 0.00569 0.17 0.0992 0.5808 3210943 TimTec1_002605 CCCN1C(=O)/C(=C\2/C(=O)N(CC=C)c3ccccc23)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G10 compound treatment 0.505 0.0061 0.19 0.498 0.00269 0.08 0.192 0.9241 3083904 TimTec1_002606 NC(=O)c1cccc(/N=C/c2ccc3ccccc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G11 compound treatment 0.482 -0.0169 -0.53 0.495 -3.12E-4 -0.01 -0.3822 -0.7193 3210944 TimTec1_002607 CCOc1ccccc1/C=N/c2ccc(cc2)S(=O)(=O)N3CCc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G12 compound treatment 0.5 0.0011 0.03 0.496 6.88E-4 0.02 0.0389 0.9678 3083906 TimTec1_002608 Cc1ccc(C)c(/N=C/c2ccc(C#N)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G13 compound treatment 0.531 0.0321 1.01 0.508 0.0127 0.38 0.9796 0.9094 3210945 TimTec1_002609 Oc1ccccc1c2cc(n(n2)c3ccccc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G14 compound treatment 0.505 0.0061 0.19 0.495 -3.12E-4 -0.01 0.1292 0.6722 3083907 TimTec1_002610 Oc1c(Cl)cc(Cl)cc1/C=N/c2sc3CCCc3c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G15 compound treatment 0.499 1.03E-4 0.0 0.497 0.00169 0.05 0.0377 0.7515 1229191 TimTec1_002611 Nc1ccc(cc1)C(=O)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G16 compound treatment 0.529 0.0301 0.95 0.461 -0.0343 -1.02 -0.0496 -0.0357 1298485 TimTec1_002612 C=CCC(CC=C)(NC(=O)c1ccccc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G17 compound treatment 0.529 0.0301 0.95 0.534 0.0387 1.15 1.4799 0.9955 3210946 TimTec1_002613 CSc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G18 compound treatment 0.551 0.0521 1.64 0.524 0.0287 0.85 1.7595 0.9533 3210947 TimTec1_002614 Cc1[nH]c2ccccc2c1/C=N/c3ccc(Cl)cc3C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G19 compound treatment 0.503 0.0041 0.13 0.504 0.00869 0.26 0.2733 0.949 3083909 TimTec1_002615 COC(=O)CSc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G20 compound treatment 0.471 -0.0279 -0.88 0.487 -0.00831 -0.25 -0.7944 -0.8719 1173404 TimTec1_002616 COc1ccc2ccccc2c1C(O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G21 compound treatment 0.533 0.0341 1.07 0.517 0.0217 0.64 1.2127 0.97 3083910 TimTec1_002617 CCN(CC)c1ccc(/N=C/c2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G22 compound treatment 0.514 0.0151 0.47 0.55 0.0547 1.62 1.4817 0.8774 3210948 TimTec1_002618 CN1C(=O)/C(=C\c2c(O)c3ccccc3n(C)c2=O)/C(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G23 mock treatment 0.486 -0.0129 -0.41 0.491 -0.00431 -0.13 -0.3771 -0.8869 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 G24 mock treatment 0.503 0.0041 0.13 0.497 0.00169 0.05 0.1266 0.9148 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H01 compound treatment 0.524 0.0251 0.79 0.533 0.0377 1.12 1.3478 0.9856 1619414 TimTec1_002619 Cc1cc(no1)c2c(O)c3ccccc3n(C)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H02 compound treatment 0.491 -0.0079 -0.25 0.497 0.00169 0.05 -0.1402 -0.5536 1650607 TimTec1_002620 CC1C(OC(=O)C2(CCCCC2)C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H03 compound treatment 0.487 -0.0119 -0.37 0.496 6.88E-4 0.02 -0.2501 -0.6676 1490854 TimTec1_002621 O=COCC1OC(OC=O)C(Nc2ccccc2)C(OC=O)C1OC=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H04 compound treatment 0.51 0.0111 0.35 0.599 0.104 3.07 2.4194 0.7824 1609235 TimTec1_002622 Fc1ccc(CSc2nc3cccnc3[nH]2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H05 compound treatment 0.501 0.0021 0.07 0.592 0.0967 2.87 2.0726 0.7232 3211069 TimTec1_002623 C/C(=N\N1C(=O)CC(=O)NC1=S)/c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H06 compound treatment 0.484 -0.0149 -0.47 0.577 0.0817 2.42 1.3804 0.5599 3083914 TimTec1_002624 CC1SC(NC1=O)c2ccc(F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H07 compound treatment 0.496 -0.0029 -0.09 0.584 0.0887 2.63 1.7938 0.6822 1308303 TimTec1_002625 CCOC(=O)c1cccc(c1)C(=O)NC2=CC(=O)CC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H08 compound treatment 0.496 -0.0029 -0.09 0.607 0.112 3.31 2.2758 0.6874 3083916 TimTec1_002626 COc1ccc(cc1)C(=O)c2nocc2C(=O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H09 compound treatment 0.55 0.0511 1.61 0.63 0.135 3.99 3.9583 0.92 1428534 TimTec1_002627 O=c1oc2ccccc2cc1C3=NC(=S)NC(C3)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H10 compound treatment 0.501 0.0021 0.07 0.645 0.15 4.44 3.1831 0.7176 1170391 TimTec1_002628 NC(=O)CN1C(=O)c2cccc3cccc1c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H11 compound treatment 0.497 -0.0019 -0.06 0.571 0.0757 2.24 1.5437 0.6881 3211070 TimTec1_002629 S=c1nc(/N=C/c2ccco2)cc(/N=C/c3ccco3)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H12 compound treatment 0.49 -0.0089 -0.28 0.563 0.0677 2.01 1.2204 0.6027 1704493 TimTec1_002630 Cc1cc2OC(=C(C#N)C3(C(=O)N(CC(=O)O)c4ccccc43)c2c(=O)o1)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H13 compound treatment 0.499 1.03E-4 0.0 0.575 0.0797 2.36 1.672 0.7081 1554929 TimTec1_002631 O=C(Oc1cccnc1)c2cc3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H14 compound treatment 0.498 -8.97E-4 -0.03 0.547 0.0517 1.53 1.0631 0.694 1212825 TimTec1_002632 Cc1[nH]c2ccccc2c1CCN3C(=O)CCC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H15 compound treatment 0.525 0.0261 0.82 0.582 0.0867 2.57 2.3967 0.8888 1243289 TimTec1_002633 COC(=O)C1=C(C)N(C(=O)C1)c2ccc(cc2)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H16 compound treatment 0.49 -0.0089 -0.28 0.616 0.121 3.58 2.3309 0.6498 1495691 TimTec1_002634 CC(O)(C#CCN1CCCCC1)C2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H17 compound treatment 0.497 -0.0019 -0.06 0.626 0.131 3.87 2.6961 0.6961 1405861 TimTec1_002635 CCN(CC)C(=O)CSc1nc2CCCCc2cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H18 compound treatment 0.523 0.0241 0.76 0.6 0.105 3.1 2.7294 0.8547 3083985 TimTec1_002636 CCc1c(C)nc(N)nc1S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H19 compound treatment 0.495 -0.0039 -0.12 0.551 0.0557 1.65 1.0802 0.6528 1285150 TimTec1_002637 CC1(O)NC(=O)C2(C#N)C(C#N)(C#N)C21c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H20 compound treatment 0.487 -0.0119 -0.37 0.552 0.0567 1.68 0.9232 0.5365 1677097 TimTec1_002638 Cc1nc(C(=O)N)c(N)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H21 compound treatment 0.478 -0.0209 -0.66 0.526 0.0307 0.91 0.1784 0.159 1163471 TimTec1_002639 COC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H22 compound treatment 0.498 -8.97E-4 -0.03 0.555 0.0597 1.77 1.2307 0.6957 3083989 TimTec1_002640 Cc1cc(C)n(CNc2nccs2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H23 mock treatment 0.484 -0.0149 -0.47 0.533 0.0377 1.12 0.4584 0.3786 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 H24 mock treatment 0.517 0.0181 0.57 0.511 0.0157 0.46 0.7312 0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I01 compound treatment 0.517 0.0181 0.57 0.498 0.00269 0.08 0.4588 0.7983 1611631 TimTec1_002641 O=C(Nc1ccccc1)Nc2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I02 compound treatment 0.443 -0.0559 -1.76 0.46 -0.0353 -1.05 -1.9827 -0.9693 1685279 TimTec1_002642 COc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I03 compound treatment 0.495 -0.0039 -0.12 0.493 -0.00231 -0.07 -0.1351 -0.9623 1725903 TimTec1_002643 CCOC(=O)C(C)Oc1ccc2oc(=O)cc(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I04 compound treatment 0.558 0.0591 1.86 0.508 0.0127 0.38 1.5799 0.8333 1725678 TimTec1_002644 Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I05 compound treatment 0.482 -0.0169 -0.53 0.495 -3.12E-4 -0.01 -0.3822 -0.7193 3083992 TimTec1_002645 CN(C)c1ccc(/C=N/N2C(=O)CNC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I06 compound treatment 0.537 0.0381 1.2 0.527 0.0317 0.94 1.5111 0.9927 3211071 TimTec1_002646 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(O)C(O)C(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I07 compound treatment 0.47 -0.0289 -0.91 0.469 -0.0263 -0.78 -1.1938 -0.9971 1159008 TimTec1_002647 O=C(CSc1ncnc2[nH]cnc12)NCCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I08 compound treatment 0.502 0.0031 0.1 0.501 0.00569 0.17 0.1882 0.9663 3211072 TimTec1_002648 Cc1ccc(/N=C/c2ccc(Br)s2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I09 compound treatment 0.517 0.0181 0.57 0.511 0.0157 0.46 0.7312 0.9949 1275751 TimTec1_002649 Cc1cccc(c1)N(CC(=O)Nc2ccc3c(c2)oc4ccccc43)S(=O)(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I10 compound treatment 0.53 0.0311 0.98 0.503 0.00769 0.23 0.8526 0.8491 3083996 TimTec1_002650 COc1ccc(/N=C/c2ccc3ccccc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I11 compound treatment 0.506 0.0071 0.22 0.521 0.0257 0.76 0.6962 0.8776 3211073 TimTec1_002651 CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3C)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I12 compound treatment 0.504 0.0051 0.16 0.5 0.00469 0.14 0.2117 0.9974 3083998 TimTec1_002652 Cc1cccc(/C=N/c2cccc(O)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I13 compound treatment 0.48 -0.0189 -0.59 0.481 -0.0143 -0.42 -0.72 -0.9863 3083999 TimTec1_002653 O=c1n(OCc2ccccc2)c(SCc3ccccc3)nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I14 compound treatment 0.495 -0.0039 -0.12 0.498 0.00269 0.08 -0.0303 -0.2075 3211074 TimTec1_002654 Cc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I15 compound treatment 0.47 -0.0289 -0.91 0.506 0.0107 0.32 -0.4186 -0.435 3211075 TimTec1_002655 O=C(Nc1ccccc1)Nc2ccc(cc2)C(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I16 compound treatment 0.488 -0.0109 -0.34 0.51 0.0147 0.44 0.0655 0.1182 1270363 TimTec1_002656 Cc1ccc(cc1)S(=O)(=O)NC(CC=C)(CC=C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I17 compound treatment 0.531 0.0321 1.01 0.514 0.0187 0.55 1.1053 0.96 3211076 TimTec1_002657 N#Cc1ccc(/C=N/c2cccc3c(\N=C\c4ccc(C#N)cc4)cccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I18 compound treatment 0.483 -0.0159 -0.5 0.487 -0.00831 -0.25 -0.5276 -0.9468 3084003 TimTec1_002658 NC(=O)c1ccccc1/N=C/c2ccc(O)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I19 compound treatment 0.502 0.0031 0.1 0.512 0.0167 0.49 0.4186 0.8306 3211077 TimTec1_002659 Oc1ccc(Br)cc1/C=N/Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I20 compound treatment 0.494 -0.0049 -0.15 0.489 -0.00631 -0.19 -0.2411 -0.9953 1542526 TimTec1_002660 COc1cc(CNc2ccccc2)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I21 compound treatment 0.469 -0.0299 -0.94 0.476 -0.0193 -0.57 -1.0694 -0.9717 3211078 TimTec1_002661 N#Cc1cccc(/N=C/c2ccc3OCOc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I22 compound treatment 0.497 -0.0019 -0.06 0.507 0.0117 0.35 0.2027 0.5769 1646643 TimTec1_002662 CCn1c(=O)c(C(C)Nc2ccco2)c(O)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I23 mock treatment 0.494 -0.0049 -0.15 0.49 -0.00531 -0.16 -0.2202 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 I24 mock treatment 0.489 -0.0099 -0.31 0.49 -0.00531 -0.16 -0.3314 -0.9502 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J01 compound treatment 0.529 0.0301 0.95 0.528 0.0327 0.97 1.3542 0.9999 1132674 TimTec1_002663 CCC1=CC(=NC(C)CN1)c2c(O)c3ccccc3n(C)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J02 compound treatment 0.484 -0.0149 -0.47 0.505 0.00969 0.29 -0.1282 -0.2334 3084072 TimTec1_002664 OC(=O)c1ccc2nsnc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J03 compound treatment 0.541 0.0421 1.32 0.482 -0.0133 -0.39 0.6572 0.4757 1532331 TimTec1_002665 Fc1ccc(cc1)N2C(=S)N=C(CC23C(=O)Nc4ccccc43)c5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J04 compound treatment 0.495 -0.0039 -0.12 0.491 -0.00431 -0.13 -0.177 -0.9998 3084075 TimTec1_002666 FC(F)(F)c1ccc2n(Cc3ccccc3)c(=O)c(=O)[nH]c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J05 compound treatment 0.492 -0.0069 -0.22 0.498 0.00269 0.08 -0.097 -0.42 1654151 TimTec1_002667 O=c1ccn(CN2CCCCC2)c(=O)n1CN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J06 compound treatment 0.485 -0.0139 -0.44 0.51 0.0147 0.44 -0.0012 -0.002 1571522 TimTec1_002668 CN1NC2(CCCCC2)N(C1=S)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J07 compound treatment 0.526 0.0271 0.85 0.512 0.0167 0.49 0.9523 0.9665 3211079 TimTec1_002669 Oc1ccccc1/C=N/c2cc(ccc2O)S(=O)(=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J08 compound treatment 0.558 0.0591 1.86 0.518 0.0227 0.67 1.7895 0.9055 1488051 TimTec1_002670 CC1CN(CCc2ccccc2)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J09 compound treatment 0.524 0.0251 0.79 0.528 0.0327 0.97 1.243 0.9948 3211080 TimTec1_002671 C/C(=N\Cc1ccccn1)/c2c(O)c3ccccc3n(c4ccccc4)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J10 compound treatment 0.507 0.0081 0.25 0.507 0.0117 0.35 0.4251 0.9886 3084079 TimTec1_002672 OCCNC(=O)C1=NN=CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J11 compound treatment 0.706 0.207 6.51 0.836 0.341 10.1 11.743 0.9775 1667994 TimTec1_002673 CC1=NN(C(=O)c2ccco2)C(O)(C1)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J12 compound treatment 0.493 -0.0059 -0.19 0.509 0.0137 0.41 0.1557 0.3491 3211081 TimTec1_002674 OC(=O)CCCNC1=NC2(CCCC2)Cc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J13 compound treatment 0.483 -0.0159 -0.5 0.501 0.00569 0.17 -0.2343 -0.4441 3209107 TimTec1_002675 NC(CCCNC(=N)N)C(=O)O.OC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J14 compound treatment 0.481 -0.0179 -0.56 0.512 0.0167 0.49 -0.0483 -0.0644 1608879 TimTec1_002676 NN(C(=O)C1CCCCC1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J15 compound treatment 0.496 -0.0029 -0.09 0.496 6.88E-4 0.02 -0.05 -0.5357 1250350 TimTec1_002677 COc1cc(NC(=O)C)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J16 compound treatment 0.496 -0.0029 -0.09 0.54 0.0447 1.32 0.8719 0.6569 1447389 TimTec1_002678 Cn1cnc2n(Cc3ccccc3)c(=O)[nH]c(=S)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J17 compound treatment 0.498 -8.97E-4 -0.03 0.502 0.00669 0.2 0.1202 0.6005 1466505 TimTec1_002679 COCc1cc(O)n2c3ccccc3nc2c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J18 compound treatment 0.496 -0.0029 -0.09 0.522 0.0267 0.79 0.4948 0.6216 1156263 TimTec1_002680 COC(=O)CC1(O)N(C(=CC1=O)c2ccc(C)cc2)c3ccccc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J19 compound treatment 0.491 -0.0079 -0.25 0.49 -0.00531 -0.16 -0.2869 -0.9758 1548500 TimTec1_002681 CC1(C)CCCC(C)(C)N1OC(=O)c2ccc(N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J20 compound treatment 0.479 -0.0199 -0.63 0.476 -0.0193 -0.57 -0.847 -0.999 3084081 TimTec1_002682 OC1(NN=C2C=Cc3ccccc3N21)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J21 compound treatment 0.502 0.0031 0.1 0.51 0.0147 0.44 0.3767 0.8447 1276203 TimTec1_002683 CNC(C)c1ccc2OCCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J22 compound treatment 0.506 0.0071 0.22 0.484 -0.0113 -0.34 -0.0791 -0.1963 3084083 TimTec1_002684 C(N1CCNCC1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J23 mock treatment 0.489 -0.0099 -0.31 0.471 -0.0243 -0.72 -0.7295 -0.9295 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 J24 mock treatment 0.506 0.0071 0.22 0.514 0.0187 0.55 0.5495 0.9203 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K01 compound treatment 0.525 0.0261 0.82 0.509 0.0137 0.41 0.8672 0.9472 3209108 TimTec1_002685 COc1ccc(cc1)C(=O)CSc2nc3cc(C)ccc3cc2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K02 compound treatment 0.483 -0.0159 -0.5 0.489 -0.00631 -0.19 -0.4857 -0.9101 3084085 TimTec1_002686 CCOc1ccc(/C=N/c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K03 compound treatment 0.495 -0.0039 -0.12 0.482 -0.0133 -0.39 -0.3656 -0.885 1247383 TimTec1_002687 O=C(CSc1nc2cccnc2[nH]1)NC3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K04 compound treatment 0.492 -0.0069 -0.22 0.479 -0.0163 -0.48 -0.4951 -0.9346 3084087 TimTec1_002688 COc1cccc(/N=C/c2ccc(O)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K05 compound treatment 0.49 -0.0089 -0.28 0.494 -0.00131 -0.04 -0.2253 -0.7977 3209109 TimTec1_002689 O=C1CNC(=O)N1/N=C/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K06 compound treatment 0.498 -8.97E-4 -0.03 0.484 -0.0113 -0.34 -0.257 -0.7639 1409322 TimTec1_002690 OCc1ccccc1CNCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K07 compound treatment 0.498 -8.97E-4 -0.03 0.511 0.0157 0.46 0.3088 0.663 3209110 TimTec1_002691 CCOC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K08 compound treatment 0.489 -0.0099 -0.31 0.49 -0.00531 -0.16 -0.3314 -0.9502 3084090 TimTec1_002692 Cc1ccc(/N=C/c2c[nH]c3ccccc23)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K09 compound treatment 0.554 0.0551 1.73 0.527 0.0317 0.94 1.8891 0.9586 1411633 TimTec1_002693 CC(NC(=O)c1cc(oc1C)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K10 compound treatment 0.526 0.0271 0.85 0.524 0.0287 0.85 1.2037 1.0 3084091 TimTec1_002694 NC(=O)c1ccccc1/N=C/c2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K11 compound treatment 0.497 -0.0019 -0.06 0.498 0.00269 0.08 0.0141 0.1422 3209111 TimTec1_002695 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K12 compound treatment 0.5 0.0011 0.03 0.502 0.00669 0.2 0.1647 0.8185 3084157 TimTec1_002696 Cc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K13 compound treatment 0.495 -0.0039 -0.12 0.509 0.0137 0.41 0.2002 0.4724 3084159 TimTec1_002697 COC(=O)CNC(=O)c1cc[nH]n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K14 compound treatment 0.5 0.0011 0.03 0.505 0.00969 0.29 0.2275 0.7868 1444507 TimTec1_002698 Cc1ccc(s1)C2N(CCN2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K15 compound treatment 0.493 -0.0059 -0.19 0.508 0.0127 0.38 0.1347 0.3214 3084162 TimTec1_002699 FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K16 compound treatment 0.511 0.0121 0.38 0.524 0.0287 0.85 0.8702 0.9343 1914768 TimTec1_002700 C(=N/c1cccc2c(\N=C\c3ccco3)cccc12)\c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K17 compound treatment 0.479 -0.0199 -0.63 0.5 0.00469 0.14 -0.3442 -0.537 3209112 TimTec1_002701 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)Nc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K18 compound treatment 0.508 0.0091 0.29 0.494 -0.00131 -0.04 0.1749 0.6055 3209113 TimTec1_002702 Cc1ccc(/C=N/c2ccccc2OCc3ccccc3)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K19 compound treatment 0.498 -8.97E-4 -0.03 0.508 0.0127 0.38 0.2459 0.6523 3084165 TimTec1_002703 N#Cc1cc2CCCc2nc1SCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K20 compound treatment 0.51 0.0111 0.35 0.521 0.0257 0.76 0.7851 0.9375 1504412 TimTec1_002704 Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K21 compound treatment 0.508 0.0091 0.29 0.499 0.00369 0.11 0.2797 0.9128 3084167 TimTec1_002705 CCOc1ccccc1/C=N/c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K22 compound treatment 0.49 -0.0089 -0.28 0.481 -0.0143 -0.42 -0.4977 -0.9796 3209114 TimTec1_002706 COc1cccc(c1)C(=O)N2N=C(O)C=CC2=C(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K23 mock treatment 0.497 -0.0019 -0.06 0.475 -0.0203 -0.6 -0.4678 -0.7734 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 K24 mock treatment 0.496 -0.0029 -0.09 0.489 -0.00631 -0.19 -0.1967 -0.9453 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L01 compound treatment 0.516 0.0171 0.54 0.519 0.0237 0.7 0.8766 0.9914 1454168 TimTec1_002707 COc1cc(OC)nc(n1)C(=O)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L02 compound treatment 0.496 -0.0029 -0.09 0.515 0.0197 0.58 0.3481 0.5896 1013845 TimTec1_002708 OC(=O)C1CCN(CC1)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L03 compound treatment 0.553 0.0541 1.7 0.535 0.0397 1.18 2.0345 0.9837 3084171 TimTec1_002709 SC1=N(/N=C/2\C(=O)Nc3ccccc23)C(=O)C4C=CC=CC4=N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L04 compound treatment 0.485 -0.0139 -0.44 0.504 0.00869 0.26 -0.1269 -0.2503 1202182 TimTec1_002710 NC1=C(C#N)C(=C(C#N)C#N)C(O1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L05 compound treatment 0.48 -0.0189 -0.59 0.497 0.00169 0.05 -0.3848 -0.6453 1265429 TimTec1_002711 CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c3ccc(F)cc3O)C(=O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L06 compound treatment 0.491 -0.0079 -0.25 0.488 -0.00731 -0.22 -0.3288 -0.9977 3084174 TimTec1_002712 COc1ccc(cc1OC)/C(=N/O)/c2nccc3cc(OC)c(OC)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L07 compound treatment 0.515 0.0161 0.51 0.541 0.0457 1.35 1.3153 0.91 1260243 TimTec1_002713 S=c1nc(c2ccco2)c3c(=S)[nH]c(=S)[nH]c3[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L08 compound treatment 0.482 -0.0169 -0.53 0.51 0.0147 0.44 -0.0679 -0.0989 1599464 TimTec1_002714 CC1CN(CCC1=O)C2CC(C)(C)NC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L09 compound treatment 0.503 0.0041 0.13 0.515 0.0197 0.58 0.5037 0.8431 1384770 TimTec1_002715 CN(C)c1ccc(cc1)C2OCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L10 compound treatment 0.493 -0.0059 -0.19 0.493 -0.00231 -0.07 -0.1796 -0.9084 1608667 TimTec1_002716 NC(=O)CNC(=O)c1ccc2ccccc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L11 compound treatment 0.52 0.0211 0.66 0.526 0.0307 0.91 1.1122 0.988 3209115 TimTec1_002717 COC(=O)CNS(=O)(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L12 compound treatment 0.488 -0.0109 -0.34 0.507 0.0117 0.35 0.0026 0.0054 1678540 TimTec1_002718 Clc1ccc2n(CCC(=O)n3c(=O)oc4cc(Cl)ccc34)c(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L13 compound treatment 0.527 0.0281 0.88 0.52 0.0247 0.73 1.1421 0.9956 1920767 TimTec1_002719 Cc1cc(c2ccco2)n(n1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L14 compound treatment 0.493 -0.0059 -0.19 0.495 -3.12E-4 -0.01 -0.1377 -0.7415 3084178 TimTec1_002720 CCOC(=O)Cc1nnn[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L15 compound treatment 0.477 -0.0219 -0.69 0.501 0.00569 0.17 -0.3677 -0.5187 3209116 TimTec1_002721 Brc1ccc(cc1)C(=S)N2CCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L16 compound treatment 0.486 -0.0129 -0.41 0.502 0.00669 0.2 -0.1466 -0.3249 1354769 TimTec1_002722 CC(C)COC(=O)NCc1ccc2OCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L17 compound treatment 0.495 -0.0039 -0.12 0.505 0.00969 0.29 0.1163 0.3728 3209117 TimTec1_002723 Cc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L18 compound treatment 0.475 -0.0239 -0.75 0.471 -0.0243 -0.72 -1.0407 -0.9998 71735 TimTec1_002724 COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L19 compound treatment 0.476 -0.0229 -0.72 0.487 -0.00831 -0.25 -0.6832 -0.8979 3084252 TimTec1_002725 CC1(C)OC(=O)N(C1=C)c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L20 compound treatment 0.489 -0.0099 -0.31 0.484 -0.0113 -0.34 -0.4571 -0.9993 3084253 TimTec1_002726 CC(=O)N1C2CC(C=C2)C1(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L21 compound treatment 0.474 -0.0249 -0.78 0.469 -0.0263 -0.78 -1.1049 -1.0 1279868 TimTec1_002727 CCc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L22 compound treatment 0.474 -0.0249 -0.78 0.487 -0.00831 -0.25 -0.7277 -0.8867 1355496 TimTec1_002728 Cc1ccc(CSCC(=O)Nc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L23 mock treatment 0.47 -0.0289 -0.91 0.486 -0.00931 -0.28 -0.8376 -0.8821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 L24 mock treatment 0.508 0.0091 0.29 0.508 0.0127 0.38 0.4682 0.9909 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M01 compound treatment 0.551 0.0521 1.64 0.517 0.0217 0.64 1.6129 0.9165 1520938 TimTec1_002729 Cn1c2ccccc2c3nn(c4ccccc4)c(=O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M02 compound treatment 0.515 0.0161 0.51 0.507 0.0117 0.35 0.6029 0.9828 3209118 TimTec1_002730 NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M03 compound treatment 0.492 -0.0069 -0.22 0.51 0.0147 0.44 0.1544 0.3175 3084256 TimTec1_002731 CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M04 compound treatment 0.5 0.0011 0.03 0.5 0.00469 0.14 0.1227 0.8574 3209119 TimTec1_002732 O=C(Nc1cccc(C#N)c1)/C=C/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M05 compound treatment 0.493 -0.0059 -0.19 0.535 0.0397 1.18 0.7005 0.5884 3084258 TimTec1_002733 Cc1ccc(cc1)N2C(SCC2=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M06 compound treatment 0.481 -0.0179 -0.56 0.46 -0.0353 -1.05 -1.1378 -0.9577 3209120 TimTec1_002734 C=CCC1(CC=C)CCCCN1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M07 compound treatment 0.448 -0.0509 -1.6 0.464 -0.0313 -0.93 -1.7877 -0.9664 3209121 TimTec1_002735 Cc1nc(NCc2ccco2)c3cc(sc3n1)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M08 compound treatment 0.509 0.0101 0.32 0.502 0.00669 0.2 0.3648 0.9742 3084261 TimTec1_002736 Ic1ccc(/N=C/c2ccc(C#N)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M09 compound treatment 0.526 0.0271 0.85 0.544 0.0487 1.44 1.6227 0.9685 3209238 TimTec1_002737 COc1ccc(OC)c(/C=c/2\sc3nnc(c4ccccc4Cl)n3c2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M10 compound treatment 0.522 0.0231 0.73 0.503 0.00769 0.23 0.6748 0.8863 3084262 TimTec1_002738 COc1ccc(/N=C/c2ccccc2OCc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M11 compound treatment 0.524 0.0251 0.79 0.52 0.0247 0.73 1.0754 0.9993 3209239 TimTec1_002739 C/C(=N/CCO)/c1c([nH]n(c2nc3ccccc3s2)c1=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M12 compound treatment 0.492 -0.0069 -0.22 0.476 -0.0193 -0.57 -0.558 -0.9118 3084263 TimTec1_002740 Cc1ccccc1/C=N/c2ccccc2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M13 compound treatment 0.492 -0.0069 -0.22 0.486 -0.00931 -0.28 -0.3485 -0.9929 3209240 TimTec1_002741 COC(=O)N(C)c1ccccc1C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M14 compound treatment 0.5 0.0011 0.03 0.507 0.0117 0.35 0.2694 0.7741 3084265 TimTec1_002742 CCCOC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M15 compound treatment 0.533 0.0341 1.07 0.536 0.0407 1.21 1.6108 0.9983 1321825 TimTec1_002743 CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M16 compound treatment 0.492 -0.0069 -0.22 0.491 -0.00431 -0.13 -0.2437 -0.9682 3084267 TimTec1_002744 COc1cc(/C=N/c2ccc(cc2)C(=O)c3ccccc3)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M17 compound treatment 0.519 0.0201 0.63 0.518 0.0227 0.67 0.9223 0.9995 1712191 TimTec1_002745 Cc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M18 compound treatment 0.535 0.0361 1.14 0.528 0.0327 0.97 1.4876 0.9969 3209241 TimTec1_002746 CCCC(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M19 compound treatment 0.496 -0.0029 -0.09 0.304 -0.191 -5.67 -4.0729 -0.7184 3084269 TimTec1_002747 Brc1ccc(/C=N/c2ccccc2C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M20 compound treatment 0.502 0.0031 0.1 0.521 0.0257 0.76 0.6072 0.7913 1423653 TimTec1_002748 COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M21 compound treatment 0.513 0.0141 0.44 0.503 0.00769 0.23 0.4746 0.9521 3084271 TimTec1_002749 Cc1nn(C(=S)N)c(O)c1C(C(C#N)C#N)c2cccc(Cl)c2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M22 compound treatment 0.496 -0.0029 -0.09 0.5 0.00469 0.14 0.0338 0.2036 3209242 TimTec1_002750 NC(=O)Oc1ccc(I)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M23 mock treatment 0.501 0.0021 0.07 0.493 -0.00231 -0.07 -0.0017 -0.0177 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 M24 mock treatment 0.512 0.0131 0.41 0.507 0.0117 0.35 0.5362 0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N01 compound treatment 0.531 0.0321 1.01 0.559 0.0637 1.89 2.0482 0.957 3083254 TimTec1_002751 Cc1cc2nnc(c3cccc4OCOc43)n2c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N02 compound treatment 0.519 0.0201 0.63 0.512 0.0167 0.49 0.7966 0.9926 3083257 TimTec1_002752 C/C=C\1/C(C)C(C(=C(N)N1c2ccc(cc2)C(=O)N)C#N)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N03 compound treatment 0.503 0.0041 0.13 0.524 0.0287 0.85 0.6923 0.8052 1231981 TimTec1_002753 Cc1ccc(cc1)C(=O)Cc2nc3ncccc3[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N04 compound treatment 0.484 -0.0149 -0.47 0.488 -0.00731 -0.22 -0.4844 -0.9386 1274147 TimTec1_002754 Sc1nc(CCN2C(=O)c3ccccc3C2=O)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N05 compound treatment 0.496 -0.0029 -0.09 0.497 0.00169 0.05 -0.029 -0.2795 3083260 TimTec1_002755 CC(=S)N1CCN(CC1)C(=S)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N06 compound treatment 0.495 -0.0039 -0.12 0.495 -3.12E-4 -0.01 -0.0932 -0.7584 1517166 TimTec1_002756 Cc1ccccc1N2C(=O)c3ccccc3NC2(C)CC(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N07 compound treatment 0.496 -0.0029 -0.09 0.506 0.0107 0.32 0.1595 0.4841 1118059 TimTec1_002757 Nn1c(=O)c(Cc2ccco2)n[nH]c1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N08 compound treatment 0.504 0.0051 0.16 0.533 0.0377 1.12 0.9031 0.8005 1361841 TimTec1_002758 CCOC(=O)C1=C(NC(=S)C(CC=C)(C#N)C1c2cccnc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N09 compound treatment 0.486 -0.0129 -0.41 0.478 -0.0173 -0.51 -0.6495 -0.9932 3083263 TimTec1_002759 COC(=O)CNc1cc(C)c(cc1OC)C(O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N10 compound treatment 0.5 0.0011 0.03 0.499 0.00369 0.11 0.1018 0.8879 1187305 TimTec1_002760 CCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N11 compound treatment 0.493 -0.0059 -0.19 0.504 0.00869 0.26 0.0509 0.1605 1455249 TimTec1_002761 CC(=O)Oc1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N12 compound treatment 0.485 -0.0139 -0.44 0.497 0.00169 0.05 -0.2736 -0.6221 1149353 TimTec1_002762 COc1ccc(cc1)C(C#N)N2N=C(C)CC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N13 compound treatment 0.489 -0.0099 -0.31 0.476 -0.0193 -0.57 -0.6247 -0.959 1491757 TimTec1_002763 Clc1cccc(NC(=O)C(NC=O)c2ccccc2Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N14 compound treatment 0.492 -0.0069 -0.22 0.501 0.00569 0.17 -0.0342 -0.1244 3209243 TimTec1_002764 OC(=O)[C@@H]1CCCN1Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N15 compound treatment 0.476 -0.0229 -0.72 0.489 -0.00631 -0.19 -0.6413 -0.8622 3083267 TimTec1_002765 OC(=O)CCc1nnc(S)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N16 compound treatment 0.486 -0.0129 -0.41 0.488 -0.00731 -0.22 -0.44 -0.9569 1446498 TimTec1_002766 O=C(NC1CCCCCCCCCCC1)c2nc[nH]n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N17 compound treatment 0.494 -0.0049 -0.15 0.501 0.00569 0.17 0.0103 0.0451 3209244 TimTec1_002767 COc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N18 compound treatment 0.499 1.03E-4 0.0 0.503 0.00769 0.23 0.1634 0.7171 1206859 TimTec1_002768 Brc1cncc(c1)C(=O)Nc2ccc(cc2)C(=O)NC3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N19 compound treatment 0.493 -0.0059 -0.19 0.496 6.88E-4 0.02 -0.1167 -0.6256 1560261 TimTec1_002769 COc1ccc(cc1)C2NCCc3cc(OC)c(OC)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N20 compound treatment 0.541 0.0421 1.32 0.535 0.0397 1.18 1.7677 0.9983 3209245 TimTec1_002770 CN(C)c1nc(NCc2ccccc2)nc(Nc3ccc(OC(F)(F)F)cc3)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N21 compound treatment 0.493 -0.0059 -0.19 0.487 -0.00831 -0.25 -0.3053 -0.9902 1425208 TimTec1_002771 CN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N22 compound treatment 0.495 -0.0039 -0.12 0.492 -0.00331 -0.1 -0.156 -0.994 3209246 TimTec1_002772 Nn1c(CSCc2ccccc2)nnc1CSCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N23 mock treatment 0.499 1.03E-4 0.0 0.503 0.00769 0.23 0.1634 0.7171 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 N24 mock treatment 0.526 0.0271 0.85 0.503 0.00769 0.23 0.7637 0.8657 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O01 compound treatment 0.538 0.0391 1.23 0.531 0.0357 1.06 1.6172 0.9972 3083272 TimTec1_002773 C(Nc1nonc1c2ncon2)n3nnc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O02 compound treatment 0.495 -0.0039 -0.12 0.478 -0.0173 -0.51 -0.4494 -0.852 3209247 TimTec1_002774 O=C(NC1CCCCC1)/C=C/c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O03 compound treatment 0.496 -0.0029 -0.09 0.478 -0.0173 -0.51 -0.4271 -0.8198 3209248 TimTec1_002775 O=C(NCCc1ccccc1)c2c(/N=C/3\C(=O)Nc4ccccc34)sc5CCCCc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O04 compound treatment 0.488 -0.0109 -0.34 0.476 -0.0193 -0.57 -0.6469 -0.9699 1468374 TimTec1_002776 OC(c1cccs1)c2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O05 compound treatment 0.51 0.0111 0.35 0.501 0.00569 0.17 0.366 0.9442 3209249 TimTec1_002777 Clc1ccc(Cl)c(c1)N2C(SCC2=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O06 compound treatment 0.51 0.0111 0.35 0.504 0.00869 0.26 0.4289 0.9888 1257164 TimTec1_002778 Cc1ccc(C)c(NCc2ccccc2CO)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O07 compound treatment 0.542 0.0431 1.36 0.537 0.0417 1.24 1.8318 0.9989 3083858 TimTec1_002779 Cc1nc2ccccc2nc1Sc3nnc(o3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O08 compound treatment 0.539 0.0401 1.26 0.521 0.0257 0.76 1.4299 0.9708 1918856 TimTec1_002780 Brc1ccc(/C=N/c2cccc3ccccc23)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O09 compound treatment 0.536 0.0371 1.17 0.524 0.0287 0.85 1.426 0.9879 3209250 TimTec1_002781 COc1ccc(Br)cc1/C=C/2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O10 compound treatment 0.502 0.0031 0.1 0.505 0.00969 0.29 0.272 0.8971 3209251 TimTec1_002782 N#Cc1ccc(/C=N/c2cccc(C#N)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O11 compound treatment 0.54 0.0411 1.29 0.531 0.0357 1.06 1.6616 0.995 3083924 TimTec1_002783 CCN1C(=C)c2cc(C)cc(C)c2NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O12 compound treatment 0.538 0.0391 1.23 0.521 0.0257 0.76 1.4076 0.9734 3209252 TimTec1_002784 COc1ccc2ccccc2c1/C=N/c3ccccc3C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O13 compound treatment 0.535 0.0361 1.14 0.531 0.0357 1.06 1.5505 0.9994 1178846 TimTec1_002785 C=CCSc1nc2ccccc2c(=O)n1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O14 compound treatment 0.527 0.0281 0.88 0.536 0.0407 1.21 1.4774 0.9883 3209253 TimTec1_002786 Cc1ccc(/C=N/c2ccc(\N=C\c3ccc(C)s3)cc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O15 compound treatment 0.53 0.0311 0.98 0.555 0.0597 1.77 1.9422 0.961 1364793 TimTec1_002787 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc2sc(C)c(C)c2C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O16 compound treatment 0.536 0.0371 1.17 0.542 0.0467 1.38 1.8032 0.9964 3209254 TimTec1_002788 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc(Cl)cc3)c1C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O17 compound treatment 0.508 0.0091 0.29 0.535 0.0397 1.18 1.034 0.8543 1685792 TimTec1_002789 COc1ccc2c(Cl)c(sc2c1)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O18 compound treatment 0.549 0.0501 1.58 0.548 0.0527 1.56 2.2179 1.0 1138448 TimTec1_002790 O=C(CSc1nc2CCCCc2cc1C#N)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O19 compound treatment 0.501 0.0021 0.07 0.508 0.0127 0.38 0.3126 0.8189 3083928 TimTec1_002791 CSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O20 compound treatment 0.541 0.0421 1.32 0.542 0.0467 1.38 1.9144 0.9998 1253093 TimTec1_002792 CCOc1cccc(=O)c2c(C)n(c(C)c12)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O21 compound treatment 0.537 0.0381 1.2 0.517 0.0217 0.64 1.3016 0.9574 3083930 TimTec1_002793 Cc1ccc(/C=N/c2ccc3ccccc3c2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O22 compound treatment 0.519 0.0201 0.63 0.522 0.0267 0.79 1.0062 0.9938 3209255 TimTec1_002794 C/C(=N/Cc1nnc(C)s1)/c2cc3c(=O)n(C)c4ccccc4c3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O23 mock treatment 0.52 0.0211 0.66 0.523 0.0277 0.82 1.0493 0.9945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 O24 mock treatment 0.53 0.0311 0.98 0.517 0.0217 0.64 1.146 0.9793 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P01 compound treatment 0.535 0.0361 1.14 0.56 0.0647 1.92 2.1581 0.9687 3083932 TimTec1_002795 CC1=CC(=O)N(C1=O)c2c(C)n(C)n(c3ccccc3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P02 compound treatment 0.511 0.0121 0.38 0.525 0.0297 0.88 0.8911 0.9297 3209256 TimTec1_002796 CNC(=O)C1=CC(C)(C)NC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P03 compound treatment 0.504 0.0051 0.16 0.519 0.0237 0.7 0.6098 0.8469 1174268 TimTec1_002797 Clc1ccc(cc1)C(=O)C(=C2NCCN2)n3ccnc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P04 compound treatment 0.639 0.14 4.41 0.637 0.142 4.2 6.0838 0.9997 1414675 TimTec1_002798 O=C(N1CCOCC1)c2ccc(s2)C(=O)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P05 compound treatment 0.521 0.0221 0.7 0.517 0.0217 0.64 0.9459 0.9992 1495833 TimTec1_002799 COc1ccc(cc1OC)C2=NCC(C)(C)CO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P06 compound treatment 0.572 0.0731 2.3 0.577 0.0817 2.42 3.3369 0.9997 1678629 TimTec1_002800 COc1ccccc1C(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P07 compound treatment 0.528 0.0291 0.92 0.536 0.0407 1.21 1.4996 0.9907 3209373 TimTec1_002801 CCn1c(=O)c(C/2=NNC(=O)\C2=C/Nc3nccs3)c(O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P08 compound treatment 0.516 0.0171 0.54 0.533 0.0377 1.12 1.1699 0.9439 1514165 TimTec1_002802 COc1ccc(cc1)C(C#N)N2CCC(=N2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P09 compound treatment 0.54 0.0411 1.29 0.522 0.0267 0.79 1.4731 0.9722 1619442 TimTec1_002803 Nc1cccc(c1)C(=O)OC2CSC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P10 compound treatment 0.5 0.0011 0.03 0.524 0.0287 0.85 0.6256 0.7354 3209374 TimTec1_002804 Cc1ccc(OCCSc2ncnc3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P11 compound treatment 0.532 0.0331 1.04 0.522 0.0267 0.79 1.2952 0.9908 1011278 TimTec1_002805 OC(=O)CNC(=O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P12 compound treatment 0.499 1.03E-4 0.0 0.529 0.0337 1.0 0.7081 0.7094 1159913 TimTec1_002806 NC(=O)Cc1nc(cs1)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P13 compound treatment 0.556 0.0571 1.8 0.562 0.0667 1.98 2.6669 0.9989 1445633 TimTec1_002807 CCC(=O)c1cc2OCCOc2cc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P14 compound treatment 0.518 0.0191 0.6 0.524 0.0287 0.85 1.0258 0.9855 1468490 TimTec1_002808 Clc1ccccc1CS(=O)(=O)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P15 compound treatment 0.537 0.0381 1.2 0.549 0.0537 1.59 1.9721 0.9902 1633493 TimTec1_002809 NC(=O)CSc1nc2ccccc2c(=O)n1Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P16 compound treatment 0.53 0.0311 0.98 0.543 0.0477 1.41 1.6907 0.9838 1674139 TimTec1_002810 CCOC(=O)C1CCN(CC1)C(=O)c2ccccc2NC(=O)c3cccc(F)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P17 compound treatment 0.525 0.0261 0.82 0.538 0.0427 1.26 1.4748 0.9781 1703140 TimTec1_002811 OC(=O)CC1(O)N(Cc2ccccc2)C(=O)c3ccccc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P18 compound treatment 0.513 0.0141 0.44 0.545 0.0497 1.47 1.3547 0.881 3084009 TimTec1_002812 COC(=O)C1=CN(CC2CCCO2)C=C(C1c3ccccc3)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P19 compound treatment 0.524 0.0251 0.79 0.544 0.0487 1.44 1.5783 0.9597 1281947 TimTec1_002813 CC1(C)CC(=C(C(C(C#N)C(=S)N)c2ccc(Cl)cc2)C(=O)C1)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P20 compound treatment 0.541 0.0421 1.32 0.569 0.0737 2.18 2.4801 0.9713 3084012 TimTec1_002814 O=C(C1CCCC1)N2CCc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P21 compound treatment 0.54 0.0411 1.29 0.537 0.0417 1.24 1.7874 0.9997 1667550 TimTec1_002815 Clc1ccccc1C(=O)N2CC(CC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P22 compound treatment 0.531 0.0321 1.01 0.534 0.0387 1.15 1.5244 0.998 3209375 TimTec1_002816 CC(=O)NC(N1CCCCC1c2cccnc2)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P23 mock treatment 0.563 0.0641 2.02 0.524 0.0287 0.85 2.0264 0.9263 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2070 P24 mock treatment 0.569 0.0701 2.2 0.537 0.0417 1.24 2.4321 0.9625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A01 compound treatment 0.458 0.0219 0.69 0.464 0.0367 1.09 1.2563 0.9754 1179025 TimTec1_005281 Cc1c(OCC(=O)O)ccc2c(cc(=O)oc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A02 compound treatment 0.458 0.0219 0.69 0.454 0.0267 0.79 1.0468 0.9975 3212329 TimTec1_005282 C(=N/c1nccs1)\c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A03 compound treatment 0.442 0.00587 0.18 0.432 0.00475 0.14 0.2301 0.991 1341807 TimTec1_005283 CCc1cc2c(=O)c(c3nc4ccccc4s3)c(C)oc2c(CN(C)C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A04 compound treatment 0.435 -0.00113 -0.04 0.427 -2.5E-4 -0.01 -0.0303 -0.8366 3086205 TimTec1_005284 Cc1cc(C)c(C#N)c(SCC(=O)c2ccccc2)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A05 compound treatment 0.455 0.0189 0.59 0.469 0.0418 1.24 1.2943 0.9434 1015158 TimTec1_005285 COC(=O)c1ccc(NN)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A06 compound treatment 0.453 0.0169 0.53 0.447 0.0198 0.59 0.7889 0.9988 1579854 TimTec1_005286 Nc1nc(cs1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A07 compound treatment 0.464 0.0279 0.88 0.472 0.0447 1.33 1.5573 0.9798 3086207 TimTec1_005287 CC(C)c1cc(I)c(C)cc1OC(=O)NC(=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A08 compound treatment 0.429 -0.00713 -0.22 0.446 0.0187 0.56 0.2344 0.3912 1603281 TimTec1_005288 O=C(NCc1ccccc1)C2CCCN2C(=O)OCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A09 compound treatment 0.346 -0.0901 -2.83 0.363 -0.0643 -1.9 -3.3501 -0.9813 1494738 TimTec1_005289 O=C(Cn1c(=S)[nH]c2ccccc12)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A10 compound treatment 0.471 0.0349 1.1 0.476 0.0488 1.44 1.7968 0.9907 1405927 TimTec1_005290 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC2(OC3C=C2)C4C3C(=O)N(C4=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A11 compound treatment 0.466 0.0299 0.94 0.457 0.0297 0.88 1.2875 0.9995 1153776 TimTec1_005291 Cc1c(CCC(=O)NN)c(C)n2c3ccccc3nc2c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A12 compound treatment 0.439 0.00287 0.09 0.439 0.0118 0.35 0.31 0.8619 3086211 TimTec1_005292 COc1cc(/C=N/Cc2ccco2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A13 compound treatment 0.451 0.0149 0.47 0.453 0.0257 0.76 0.8702 0.9724 1733511 TimTec1_005293 CC1(C)CC(CCO1)C(=O)COc2ccc3ccc(=O)oc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A14 compound treatment 0.422 -0.0141 -0.44 0.429 0.00175 0.05 -0.2775 -0.6204 1139337 TimTec1_005294 C(Oc1ccccc1OCc2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A15 compound treatment 0.456 0.0199 0.62 0.45 0.0227 0.67 0.9185 0.9993 3212403 TimTec1_005295 O=C(NC(SC1=NCCS1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A16 compound treatment 0.425 -0.0111 -0.35 0.423 -0.00425 -0.13 -0.3365 -0.9048 3086214 TimTec1_005296 CC(C)(CCN1CCOCC1)NC(=O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A17 compound treatment 0.434 -0.00213 -0.07 0.438 0.0107 0.32 0.1779 0.5466 1301247 TimTec1_005297 COc1cc2c(C(=O)O)c(C)oc2cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A18 compound treatment 0.443 0.00687 0.22 0.423 -0.00425 -0.13 0.0637 0.2548 1734603 TimTec1_005298 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccoc3)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A19 compound treatment 0.47 0.0339 1.07 0.436 0.00875 0.26 0.9364 0.8543 3212404 TimTec1_005299 CN1CCc2[nH]c(=S)c(C#N)c(c3ccccc3)c2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A20 compound treatment 0.436 -1.29E-4 0.0 0.417 -0.0103 -0.3 -0.2176 -0.7165 3086280 TimTec1_005300 COC(=O)/C=C\1/Nc2ccccc2SC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A21 compound treatment 0.38 -0.0561 -1.76 0.395 -0.0323 -0.96 -1.9237 -0.9585 3212405 TimTec1_005301 Cc1cccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)/C2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A22 compound treatment 0.433 -0.00313 -0.1 0.429 0.00175 0.05 -0.0329 -0.2959 1421857 TimTec1_005302 COc1ccc(cc1OC)C(=O)Nc2nnc(o2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A23 mock treatment 0.366 -0.0701 -2.21 0.403 -0.0243 -0.72 -2.0673 -0.8914 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 A24 mock treatment 0.41 -0.0261 -0.82 0.411 -0.0163 -0.48 -0.9214 -0.9676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B01 compound treatment 0.426 -0.0101 -0.32 0.435 0.00775 0.23 -0.0628 -0.16 3212406 TimTec1_005303 CC(C)P(C(C)C)c1ccc(C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B02 compound treatment 0.426 -0.0101 -0.32 0.421 -0.00625 -0.19 -0.3562 -0.9667 3212407 TimTec1_005304 CC(C)COc1ccc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B03 compound treatment 0.426 -0.0101 -0.32 0.427 -2.5E-4 -0.01 -0.2304 -0.7234 1371685 TimTec1_005305 O=C(NCc1cccnc1)c2cc3ccccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B04 compound treatment 0.432 -0.00413 -0.13 0.42 -0.00725 -0.21 -0.2437 -0.9709 3086285 TimTec1_005306 COc1cc(OC)c(/C=N/c2ccccc2)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B05 compound treatment 0.414 -0.0221 -0.7 0.411 -0.0163 -0.48 -0.8325 -0.9838 1138064 TimTec1_005307 OP(=O)(CCN1CCCC1=O)CN2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B06 compound treatment 0.446 0.00987 0.31 0.453 0.0257 0.76 0.759 0.9214 1556230 TimTec1_005308 COc1ccc2CCC(C(=O)c2c1)C3(O)C(=O)Nc4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B07 compound treatment 0.429 -0.00713 -0.22 0.423 -0.00425 -0.13 -0.2476 -0.9628 3086287 TimTec1_005309 CCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B08 compound treatment 0.439 0.00287 0.09 0.433 0.00575 0.17 0.1843 0.9559 1141795 TimTec1_005310 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccccc4C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B09 compound treatment 0.462 0.0259 0.81 0.447 0.0198 0.59 0.989 0.9869 3086290 TimTec1_005311 Cc1ccc2cccc(SCc3ccc(Br)cc3)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B10 compound treatment 0.428 -0.00813 -0.26 0.43 0.00275 0.08 -0.1231 -0.4589 1716446 TimTec1_005312 Clc1cc(NC2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B11 compound treatment 0.479 0.0429 1.35 0.548 0.121 3.58 3.4832 0.911 3212408 TimTec1_005313 COc1cc(ccc1O)c2nc3ccccn3c2/N=C/c4cccc(Cl)c4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B12 compound treatment 0.428 -0.00813 -0.26 0.425 -0.00225 -0.07 -0.2279 -0.8627 1140826 TimTec1_005314 OC1(CCN([C@@H]2CCCC[C@@H]21)C(=O)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B13 compound treatment 0.443 0.00687 0.22 0.458 0.0308 0.91 0.7971 0.8512 1456412 TimTec1_005315 CN(CP(=O)(O)CCc1ccccc1)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B14 compound treatment 0.439 0.00287 0.09 0.43 0.00275 0.08 0.1215 0.9987 1674110 TimTec1_005316 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B15 compound treatment 0.415 -0.0211 -0.66 0.417 -0.0103 -0.3 -0.6845 -0.9371 3212409 TimTec1_005317 CCN(CC)S(=O)(=O)c1ncn[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B16 compound treatment 0.506 0.0699 2.2 0.531 0.104 3.07 3.7273 0.9864 3212410 TimTec1_005318 Oc1ccccc1/C=C\2/S\C(=N/c3ccccc3)\N(Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B17 compound treatment 0.416 -0.0201 -0.63 0.42 -0.00725 -0.21 -0.5995 -0.8969 1238350 TimTec1_005319 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Oc2cccc(c2)c3cnc4ccccc4n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B18 compound treatment 0.474 0.0379 1.19 0.478 0.0508 1.5 1.9054 0.9933 1373281 TimTec1_005320 OC(C#CC(O)(c1ccccc1)c2ccccc2)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B19 compound treatment 0.458 0.0219 0.69 0.451 0.0238 0.7 0.9839 0.9999 1306989 TimTec1_005321 COc1ccc2N(Cn3nc(c4ccccc4)n(c5ccccc5)c3=S)CCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B20 compound treatment 0.419 -0.0171 -0.54 0.448 0.0208 0.61 0.0539 0.066 1546728 TimTec1_005322 O=C(c1ccccc1)c2nc3ccccc3[nH]c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B21 compound treatment 0.543 0.107 3.36 0.518 0.0907 2.69 4.2776 0.9939 3086367 TimTec1_005323 COC(=O)C1=C(C)N(/C(=C/c2cccc3ccccc23)/C1=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B22 compound treatment 0.389 -0.0471 -1.48 0.45 0.0227 0.67 -0.5712 -0.3508 3086369 TimTec1_005324 O=C(/C=C/c1ccco1)C2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B23 mock treatment 0.471 0.0349 1.1 0.431 0.00375 0.11 0.8539 0.7748 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 B24 mock treatment 0.447 0.0109 0.34 0.434 0.00675 0.2 0.3831 0.9674 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C01 compound treatment 0.44 0.00387 0.12 0.45 0.0227 0.67 0.5627 0.8215 1366978 TimTec1_005325 Cc1cc(=O)oc2cc(OC(=O)C3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C02 compound treatment 0.458 0.0219 0.69 0.449 0.0217 0.64 0.942 0.9995 3086371 TimTec1_005326 NC1=C(C#N)C(c2ccccc2)c3ccc(N)cc3O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C03 compound treatment 0.598 0.162 5.09 0.603 0.176 5.21 7.2815 0.9999 1640630 TimTec1_005327 CCN(CC)Cc1c(O)ccc2cc(c3nc4ccccc4[nH]3)c(=O)oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C04 compound treatment 0.435 -0.00113 -0.04 0.428 7.5E-4 0.02 -0.0094 -0.2242 1378375 TimTec1_005328 O=C(Oc1ccccc1OC(=O)C2C3CCCCC23)C4C5CCCCC45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C05 compound treatment 0.433 -0.00313 -0.1 0.412 -0.0153 -0.45 -0.3891 -0.8414 1495247 TimTec1_005329 Brc1ccc(OCC(=O)Nc2ccccc2N3C(=O)c4ccccc4C3=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C06 compound treatment 0.447 0.0109 0.34 0.445 0.0177 0.53 0.6136 0.9782 3212411 TimTec1_005330 C(=N/c1ccc2[nH]c(nc2c1)c3ccccc3)\c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C07 compound treatment 0.428 -0.00813 -0.26 0.426 -0.00125 -0.04 -0.2069 -0.8012 3212412 TimTec1_005331 CCOC(=O)NC1(N/C(=N/c2ccccc2)/N3CCOCC3)Oc4ccccc4O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C08 compound treatment 0.417 -0.0191 -0.6 0.408 -0.0193 -0.57 -0.8287 -0.9996 1281134 TimTec1_005332 COc1ccccc1NC(=O)C2CC2(c3ccc(C)cc3)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C09 compound treatment 0.415 -0.0211 -0.66 0.412 -0.0153 -0.45 -0.7893 -0.9824 1467004 TimTec1_005333 Cc1cc(C)c(C(=O)Cn2c(=S)[nH]c3ccccc23)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C10 compound treatment 0.415 -0.0211 -0.66 0.415 -0.0123 -0.36 -0.7265 -0.9596 3086377 TimTec1_005334 COc1ccc(/C=N/CCN2Cc3ccccc3C2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C11 compound treatment 0.418 -0.0181 -0.57 0.42 -0.00725 -0.21 -0.555 -0.911 1653534 TimTec1_005335 CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C12 compound treatment 0.426 -0.0101 -0.32 0.42 -0.00725 -0.21 -0.3771 -0.9816 3086379 TimTec1_005336 Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C13 compound treatment 0.438 0.00187 0.06 0.456 0.0288 0.85 0.644 0.7541 3212413 TimTec1_005337 CC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C14 compound treatment 0.418 -0.0181 -0.57 0.445 0.0177 0.53 -0.0312 -0.0402 3086381 TimTec1_005338 CC(C)COc1ccccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C15 compound treatment 0.426 -0.0101 -0.32 0.424 -0.00325 -0.1 -0.2933 -0.8815 1498433 TimTec1_005339 O=C(NC(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C16 compound treatment 0.46 0.0239 0.75 0.445 0.0177 0.53 0.9027 0.9849 3212414 TimTec1_005340 CN(C(=O)C)c1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C17 compound treatment 0.441 0.00487 0.15 0.452 0.0248 0.73 0.6269 0.8367 3086384 TimTec1_005341 C1Cc2c(C1)c3ccccc3n2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C18 compound treatment 0.465 0.0289 0.91 0.457 0.0297 0.88 1.2653 0.9999 1222403 TimTec1_005342 Nc1c(sc2snc(SCC(=O)c3ccccc3)c12)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C19 compound treatment 0.413 -0.0231 -0.73 0.421 -0.00625 -0.19 -0.6452 -0.8597 3086386 TimTec1_005343 CC(C)(C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C20 compound treatment 0.437 8.71E-4 0.03 0.414 -0.0133 -0.39 -0.2583 -0.6562 1290278 TimTec1_005344 COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(=O)C)c3nn[nH]n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C21 compound treatment 0.41 -0.0261 -0.82 0.411 -0.0163 -0.48 -0.9214 -0.9676 3086388 TimTec1_005345 COc1ccc(cc1)c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C22 compound treatment 0.482 0.0459 1.44 0.441 0.0138 0.41 1.308 0.8727 3212415 TimTec1_005346 COc1ccc(O)c(/C=N/c2cc(ccc2Oc3ccccc3)C(F)(F)F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C23 mock treatment 0.406 -0.0301 -0.95 0.412 -0.0153 -0.45 -0.9894 -0.9426 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 C24 mock treatment 0.425 -0.0111 -0.35 0.436 0.00875 0.26 -0.0641 -0.1472 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D01 compound treatment 0.705 0.269 8.45 0.726 0.299 8.85 12.2377 0.9997 1377147 TimTec1_005347 CCC1=NN(C(=O)c2ccccc2F)C(O)(C1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D02 compound treatment 0.412 -0.0241 -0.76 0.429 0.00175 0.05 -0.4998 -0.6572 1581632 TimTec1_005348 OC(=O)CCC(=O)N(Cc1ccco1)C2CC(=O)N(C2=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D03 compound treatment 0.413 -0.0231 -0.73 0.426 -0.00125 -0.04 -0.5404 -0.7422 1159067 TimTec1_005349 CC12C3CC(C=C3)C2C(=O)N(C1=O)c4cccc(c4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D04 compound treatment 0.427 -0.00913 -0.29 0.429 0.00175 0.05 -0.1663 -0.5701 3086466 TimTec1_005350 OCCn/1c(cs\c1=N/c2ccccc2)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D05 compound treatment 0.392 -0.0441 -1.39 0.406 -0.0213 -0.63 -1.4264 -0.9361 1557266 TimTec1_005351 Clc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D06 compound treatment 0.422 -0.0141 -0.44 0.417 -0.0103 -0.3 -0.5289 -0.9828 3212725 TimTec1_005352 OC(=O)c1ccc(cc1)N2C(=O)CC(SC(=N)N3N=C(CC3c4ccccc4)c5ccccc5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D07 compound treatment 0.422 -0.0141 -0.44 0.41 -0.0173 -0.51 -0.6756 -0.9976 3086469 TimTec1_005353 O=C(CSc1ncn[nH]1)OCN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D08 compound treatment 0.596 0.16 5.03 0.581 0.154 4.56 6.776 0.9988 3086470 TimTec1_005354 CCN(CC)c1ccc(/C=C\2/S/C(=N\c3cccc(C)c3)/NC2=O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D09 compound treatment 0.432 -0.00413 -0.13 0.413 -0.0143 -0.42 -0.3904 -0.8837 1301370 TimTec1_005355 Cc1cc(C)cc(c1)N2C(Nc3ccccc3C2=O)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D10 compound treatment 0.449 0.0129 0.4 0.446 0.0187 0.56 0.679 0.9879 3086472 TimTec1_005356 N/C(=C\C(=O)c1c(O)c(F)c(F)c(F)c1F)/C(=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D11 compound treatment 0.419 -0.0171 -0.54 0.427 -2.5E-4 -0.01 -0.3861 -0.7168 1471806 TimTec1_005357 Fc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D12 compound treatment 0.441 0.00487 0.15 0.437 0.00975 0.29 0.3126 0.9559 3212726 TimTec1_005358 CCCC1=C(C(C(=C(N)O1)C#N)c2ccccc2OC)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D13 compound treatment 0.456 0.0199 0.62 0.447 0.0198 0.59 0.8556 0.9995 3086475 TimTec1_005359 Fc1ccc(/C=C/2\CN(Cc3ccccc3)C/C(=C/c4ccc(F)cc4)/C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D14 compound treatment 0.427 -0.00913 -0.29 0.409 -0.0182 -0.54 -0.5854 -0.9561 3212727 TimTec1_005360 CN1C(=O)/C(=C\C=C\c2ccccc2Cl)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D15 compound treatment 0.416 -0.0201 -0.63 0.417 -0.0103 -0.3 -0.6623 -0.9434 1327468 TimTec1_005361 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3sc4CCCCCc4c3C#N)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D16 compound treatment 0.431 -0.00513 -0.16 0.422 -0.00525 -0.16 -0.224 -0.9998 1533582 TimTec1_005362 CCCn1c2ccccc2c3nnc(SCN4C(=O)c5ccccc5C4=O)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D17 compound treatment 0.419 -0.0171 -0.54 0.429 0.00175 0.05 -0.3442 -0.6361 1465950 TimTec1_005363 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccc(cc4)S(=O)(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D18 compound treatment 0.409 -0.0271 -0.85 0.418 -0.00925 -0.27 -0.797 -0.8895 1384915 TimTec1_005364 Clc1cccc(NC(=O)COC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D19 compound treatment 0.416 -0.0201 -0.63 0.415 -0.0123 -0.36 -0.7042 -0.9652 1450022 TimTec1_005365 COc1ccc2N(Cn3nc(COc4ccccc4)n(C)c3=S)CCCc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D20 compound treatment 0.416 -0.0201 -0.63 0.413 -0.0143 -0.42 -0.7461 -0.9806 1291038 TimTec1_005366 CCC(O)C#CCN1CCN(C)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D21 compound treatment 0.44 0.00387 0.12 0.437 0.00975 0.29 0.2904 0.9262 1912707 TimTec1_005367 CC(C)(O)C(=O)/C=C/c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D22 compound treatment 0.401 -0.0351 -1.1 0.401 -0.0262 -0.78 -1.3311 -0.9853 1025952 TimTec1_005368 Cc1cc(Cc2ccc(N)c(C)c2)ccc1N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D23 mock treatment 0.407 -0.0291 -0.92 0.408 -0.0193 -0.57 -1.051 -0.974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 D24 mock treatment 0.436 -1.29E-4 0.0 0.443 0.0158 0.47 0.3271 0.7009 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E01 compound treatment 0.429 -0.00713 -0.22 0.399 -0.0283 -0.84 -0.7504 -0.8659 2102259 TimTec1_005369 CC(C)CC(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E02 compound treatment 0.414 -0.0221 -0.7 0.429 0.00175 0.05 -0.4553 -0.6526 3086481 TimTec1_005370 O=C1NC(=O)/C(=C\c2ccccc2)/N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E03 compound treatment 0.452 0.0159 0.5 0.455 0.0278 0.82 0.9343 0.9714 1012035 TimTec1_005371 CN1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E04 compound treatment 0.418 -0.0181 -0.57 0.413 -0.0143 -0.42 -0.7017 -0.9891 3212728 TimTec1_005372 CCc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CCC3)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E05 compound treatment 0.412 -0.0241 -0.76 0.42 -0.00725 -0.21 -0.6884 -0.873 1629849 TimTec1_005373 CC(C)CN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E06 compound treatment 0.415 -0.0211 -0.66 0.413 -0.0143 -0.42 -0.7684 -0.9761 3212729 TimTec1_005374 CSc1nc2sc3COC(C)(C)Cc3c2c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E07 compound treatment 0.44 0.00387 0.12 0.437 0.00975 0.29 0.2904 0.9262 3212730 TimTec1_005375 CC(C)c1ccc(C)cc1OC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E08 compound treatment 0.439 0.00287 0.09 0.438 0.0107 0.32 0.2891 0.8731 1308284 TimTec1_005376 Cc1ccc(cc1)N2CC(=O)SC32CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E09 compound treatment 0.433 -0.00313 -0.1 0.427 -2.5E-4 -0.01 -0.0748 -0.7582 3085473 TimTec1_005377 COc1ccc(cc1)C2=CN3C(=O)CSC3=NN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E10 compound treatment 0.435 -0.00113 -0.04 0.434 0.00675 0.2 0.1163 0.5727 1639246 TimTec1_005378 CCOC(=O)c1c(CN2CCOCC2)oc3ccc(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E11 compound treatment 0.409 -0.0271 -0.85 0.41 -0.0173 -0.51 -0.9646 -0.97 3085475 TimTec1_005379 CC(=C)Cn1c(S)nc2ccccc2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E12 compound treatment 0.502 0.0659 2.07 0.486 0.0587 1.74 2.6955 0.9963 3212731 TimTec1_005380 Cc1ccc(/C=C/2\OC(=O)C=C2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E13 compound treatment 0.458 0.0219 0.69 0.459 0.0318 0.94 1.1515 0.9881 1303286 TimTec1_005381 CCc1cc2c(=O)c(coc2cc1O)c3nc(C)cs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E14 compound treatment 0.452 0.0159 0.5 0.459 0.0318 0.94 1.0181 0.956 3085477 TimTec1_005382 O=C(CSc1nc(ccc1C#N)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E15 compound treatment 0.414 -0.0221 -0.7 0.411 -0.0163 -0.48 -0.8325 -0.9838 3212732 TimTec1_005383 COc1ccccc1N2CCN(CC2)/N=C/c3sccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E16 compound treatment 0.427 -0.00913 -0.29 0.43 0.00275 0.08 -0.1454 -0.4871 1527733 TimTec1_005384 Nc1nonc1C(=O)NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E17 compound treatment 0.459 0.0229 0.72 0.473 0.0457 1.36 1.4671 0.956 3212733 TimTec1_005385 O=C1N([C@H]2CC(=O)[C@@H]3OCC2O3)S(=O)(=O)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E18 compound treatment 0.407 -0.0291 -0.92 0.401 -0.0262 -0.78 -1.1977 -0.9967 1204206 TimTec1_005386 CC(C)(C)NC(=O)CSc1nsc(SCC(=O)NC(C)(C)C)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E19 compound treatment 0.444 0.00787 0.25 0.435 0.00775 0.23 0.3374 0.9993 3212734 TimTec1_005387 NC1=C(C#N)C(C(=c2s/c(=C\c3ccco3)/c(=O)n12)C#N)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E20 compound treatment 0.417 -0.0191 -0.6 0.413 -0.0143 -0.42 -0.7239 -0.985 1594563 TimTec1_005388 OC(=O)CCC(=O)Nc1ccccc1C#Cc2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E21 compound treatment 0.423 -0.0131 -0.41 0.426 -0.00125 -0.04 -0.3181 -0.7675 3212735 TimTec1_005389 COc1cccc(/C=N/c2ccc(cc2)c3nc4ccc(C)cc4o3)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E22 compound treatment 0.423 -0.0131 -0.41 0.395 -0.0323 -0.96 -0.9676 -0.9295 3085483 TimTec1_005390 C/C=C/c1c(C)nc2sc(C#N)c(N)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E23 mock treatment 0.422 -0.0141 -0.44 0.403 -0.0243 -0.72 -0.8222 -0.9733 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 E24 mock treatment 0.425 -0.0111 -0.35 0.422 -0.00525 -0.16 -0.3574 -0.9334 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F01 compound treatment 0.432 -0.00413 -0.13 0.432 0.00475 0.14 0.0077 0.0403 1199396 TimTec1_005391 O=C(NCc1cccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F02 compound treatment 0.431 -0.00513 -0.16 0.444 0.0168 0.5 0.2369 0.454 1438185 TimTec1_005392 N#Cc1ccc(cc1C#N)n2c(nnc2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F03 compound treatment 0.44 0.00387 0.12 0.436 0.00875 0.26 0.2694 0.9406 1602974 TimTec1_005393 Cc1cc(C)c2oc(nc2c1)c3ccc(N)cc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F04 compound treatment 0.447 0.0109 0.34 0.441 0.0138 0.41 0.5298 0.9962 1565318 TimTec1_005394 COC(=O)C(C(Nc1ccccc1)c2ccccc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F05 compound treatment 0.427 -0.00913 -0.29 0.418 -0.00925 -0.27 -0.3968 -0.9997 3085487 TimTec1_005395 COC(=O)CSc1nc(C)nc2c3ccccc3oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F06 compound treatment 0.421 -0.0151 -0.48 0.422 -0.00525 -0.16 -0.4464 -0.8919 3212736 TimTec1_005396 CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F07 compound treatment 0.422 -0.0141 -0.44 0.418 -0.00925 -0.27 -0.508 -0.9731 3085489 TimTec1_005397 CN(C)C(=O)/C(=C/c1ccc(F)cc1)/NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F08 compound treatment 0.468 0.0319 1.0 0.47 0.0428 1.27 1.6043 0.9933 3212737 TimTec1_005398 N#Cc1c(NCSCc2ccccc2)sc3CCCCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F09 compound treatment 0.453 0.0169 0.53 0.453 0.0257 0.76 0.9146 0.9842 1212031 TimTec1_005399 CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(c1)C(=O)Nc2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F10 compound treatment 0.441 0.00487 0.15 0.417 -0.0103 -0.3 -0.1065 -0.313 1476455 TimTec1_005400 CC(CS(=O)(=O)c1ccccc1)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F11 compound treatment 0.476 0.0399 1.25 0.458 0.0308 0.91 1.5308 0.9877 1295263 TimTec1_005401 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3nc4ccccc4o3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F12 compound treatment 0.471 0.0349 1.1 0.431 0.00375 0.11 0.8539 0.7748 1158028 TimTec1_005402 C(Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F13 compound treatment 0.434 -0.00213 -0.07 0.418 -0.00925 -0.27 -0.2411 -0.8547 3086060 TimTec1_005403 CCC(NC(=O)OC1CCCCC1C)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F14 compound treatment 0.449 0.0129 0.4 0.471 0.0437 1.3 1.2029 0.8857 3212738 TimTec1_005404 CN1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccccc3)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F15 compound treatment 0.46 0.0239 0.75 0.465 0.0377 1.12 1.3217 0.9812 1322720 TimTec1_005405 CCOC(=O)c1c(CSc2ccccc2)oc3ccc(O)c(CN(C)C)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F16 compound treatment 0.409 -0.0271 -0.85 0.404 -0.0233 -0.69 -1.0903 -0.9944 1183235 TimTec1_005406 Cc1ccc2nc(NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F17 compound treatment 0.432 -0.00413 -0.13 0.433 0.00575 0.17 0.0287 0.1339 1662436 TimTec1_005407 Nc1nonc1n2nnc(C(=O)N3CCCC3)c2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F18 compound treatment 0.422 -0.0141 -0.44 0.424 -0.00325 -0.1 -0.3822 -0.8409 1606341 TimTec1_005408 COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F19 compound treatment 0.43 -0.00613 -0.19 0.424 -0.00325 -0.1 -0.2044 -0.9486 1282067 TimTec1_005409 COC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F20 compound treatment 0.44 0.00387 0.12 0.438 0.0107 0.32 0.3113 0.9129 3086064 TimTec1_005410 CSC1=NC(C)(C)Cc2c(C)cccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F21 compound treatment 0.414 -0.0221 -0.7 0.405 -0.0222 -0.66 -0.9582 -0.9996 1037267 TimTec1_005411 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F22 compound treatment 0.428 -0.00813 -0.26 0.425 -0.00225 -0.07 -0.2279 -0.8627 1160915 TimTec1_005412 Cc1cccc(c1C)n2c(CSc3nc4ccccc4[nH]3)nc5ccccc5c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F23 mock treatment 0.422 -0.0141 -0.44 0.407 -0.0203 -0.6 -0.7384 -0.9891 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 F24 mock treatment 0.442 0.00587 0.18 0.432 0.00475 0.14 0.2301 0.991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G01 compound treatment 0.515 0.0789 2.48 0.522 0.0948 2.81 3.7389 0.9981 3086066 TimTec1_005413 CCC(C)C(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G02 compound treatment 0.421 -0.0151 -0.48 0.425 -0.00225 -0.07 -0.3835 -0.7984 3212809 TimTec1_005414 COC(=O)n1c(SC)nc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G03 compound treatment 0.415 -0.0211 -0.66 0.417 -0.0103 -0.3 -0.6845 -0.9371 1428822 TimTec1_005415 CC(C)c1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G04 compound treatment 0.4 -0.0361 -1.14 0.404 -0.0233 -0.69 -1.2904 -0.9713 1673731 TimTec1_005416 C=CCN(CC=C)C(=S)Oc1ccc(cc1)C(=O)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G05 compound treatment 0.395 -0.0411 -1.29 0.412 -0.0153 -0.45 -1.234 -0.9008 3212810 TimTec1_005417 NNC(=O)c1cc(nn1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G06 compound treatment 0.413 -0.0231 -0.73 0.415 -0.0123 -0.36 -0.7709 -0.9485 3086070 TimTec1_005418 COC(=O)Nc1ccc(Br)cn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G07 compound treatment 0.425 -0.0111 -0.35 0.423 -0.00425 -0.13 -0.3365 -0.9048 3212811 TimTec1_005419 CN/1N(C(=NC(=O)\C1=C/c2ccc(O)cc2)C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G08 compound treatment 0.428 -0.00813 -0.26 0.424 -0.00325 -0.1 -0.2488 -0.911 1496851 TimTec1_005420 CCSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G09 compound treatment 0.423 -0.0131 -0.41 0.43 0.00275 0.08 -0.2343 -0.5568 3212812 TimTec1_005421 CC1SC2=NNC(=CN2C1=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G10 compound treatment 0.432 -0.00413 -0.13 0.425 -0.00225 -0.07 -0.1389 -0.952 1578108 TimTec1_005422 CC(=O)Oc1ccc(cc1)c2nc3ccccc3c(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G11 compound treatment 0.462 0.0259 0.81 0.459 0.0318 0.94 1.2405 0.9974 1637150 TimTec1_005423 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c4CCCCc4c3cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G12 compound treatment 0.426 -0.0101 -0.32 0.42 -0.00725 -0.21 -0.3771 -0.9816 1014256 TimTec1_005424 c1c([nH]c2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G13 compound treatment 0.438 0.00187 0.06 0.447 0.0198 0.59 0.4554 0.7743 1442327 TimTec1_005425 CCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G14 compound treatment 0.415 -0.0211 -0.66 0.424 -0.00325 -0.1 -0.5379 -0.8012 3212813 TimTec1_005426 CCOc1cc(/C=N/CCN2Cc3ccccc3C2=O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G15 compound treatment 0.428 -0.00813 -0.26 0.427 -2.5E-4 -0.01 -0.186 -0.7273 3086140 TimTec1_005427 COc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G16 compound treatment 0.434 -0.00213 -0.07 0.421 -0.00625 -0.19 -0.1783 -0.9054 3212814 TimTec1_005428 Clc1ccc(NC(=O)CSC(=O)c2ccccc2)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G17 compound treatment 0.444 0.00787 0.25 0.442 0.0147 0.44 0.4841 0.9637 3086142 TimTec1_005429 Oc1n[n+](no1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G18 compound treatment 0.442 0.00587 0.18 0.423 -0.00425 -0.13 0.0415 0.1856 3212815 TimTec1_005430 COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G19 compound treatment 0.408 -0.0281 -0.88 0.403 -0.0243 -0.72 -1.1335 -0.9947 1400147 TimTec1_005431 Cc1ccccc1OCC(=O)Nc2cc(Sc3ccccn3)cc(c2)S(=O)(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G20 compound treatment 0.404 -0.0321 -1.01 0.437 0.00975 0.29 -0.5101 -0.4854 3086144 TimTec1_005432 C(=N/c1nnc2[nH]cnn12)\c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G21 compound treatment 0.415 -0.0211 -0.66 0.414 -0.0133 -0.39 -0.7474 -0.9685 1704603 TimTec1_005433 CCN(CC)C(=O)N1CCc2ccccc2C1CN3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G22 compound treatment 0.413 -0.0231 -0.73 0.414 -0.0133 -0.39 -0.7919 -0.9581 3212816 TimTec1_005434 CCc1c(C)[nH]c(=S)c(C#N)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G23 mock treatment 0.427 -0.00913 -0.29 0.423 -0.00425 -0.13 -0.292 -0.9316 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 G24 mock treatment 0.429 -0.00713 -0.22 0.418 -0.00925 -0.27 -0.3523 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H01 compound treatment 0.442 0.00587 0.18 0.452 0.0248 0.73 0.6491 0.8583 1451425 TimTec1_005435 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2nncs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H02 compound treatment 0.428 -0.00813 -0.26 0.432 0.00475 0.14 -0.0812 -0.2783 3086147 TimTec1_005436 COc1cc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc(Br)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H03 compound treatment 0.411 -0.0251 -0.79 0.404 -0.0233 -0.69 -1.0459 -0.9977 3212817 TimTec1_005437 Cc1cc-2c(cn1)/C(=N\c3ccccc3C)/c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H04 compound treatment 0.414 -0.0221 -0.7 0.419 -0.00825 -0.24 -0.6649 -0.9015 3086149 TimTec1_005438 Clc1ss/c(=N\c2ccccn2)/c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H05 compound treatment 0.429 -0.00713 -0.22 0.435 0.00775 0.23 0.0039 0.0121 1471924 TimTec1_005439 COC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H06 compound treatment 0.427 -0.00913 -0.29 0.413 -0.0143 -0.42 -0.5015 -0.9823 3212818 TimTec1_005440 Cc1ccc(/N=C/c2ccc3OCOc3c2)c(Br)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H07 compound treatment 0.417 -0.0191 -0.6 0.414 -0.0133 -0.39 -0.7029 -0.9786 1713930 TimTec1_005441 CC(C)C(O)(C#CCN1CCCCC1)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H08 compound treatment 0.442 0.00587 0.18 0.439 0.0118 0.35 0.3767 0.956 3212819 TimTec1_005442 CC(=O)NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H09 compound treatment 0.459 0.0229 0.72 0.414 -0.0133 -0.39 0.2309 0.2818 1216409 TimTec1_005443 Nc1nnc(SCC(=O)NCc2ccco2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H10 compound treatment 0.435 -0.00113 -0.04 0.452 0.0248 0.73 0.4935 0.6721 3212820 TimTec1_005444 Cc1nc(Sc2ccccc2)c3oc4ccccc4c3n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H11 compound treatment 0.46 0.0239 0.75 0.436 0.00875 0.26 0.7141 0.8992 1240888 TimTec1_005445 O=C1CSC2(CCCCC2)N1Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H12 compound treatment 0.43 -0.00613 -0.19 0.428 7.5E-4 0.02 -0.1206 -0.6214 3212821 TimTec1_005446 Clc1ccc(NC(=O)CSC2=NCCS2)nc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H13 compound treatment 0.432 -0.00413 -0.13 0.439 0.0118 0.35 0.1544 0.4155 3212822 TimTec1_005447 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CCC2)c4cccc(c4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H14 compound treatment 0.444 0.00787 0.25 0.462 0.0348 1.03 0.9031 0.8528 1666111 TimTec1_005448 Oc1ccccc1N=c2c(=O)c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H15 compound treatment 0.411 -0.0251 -0.79 0.419 -0.00825 -0.24 -0.7316 -0.8845 3086218 TimTec1_005449 O=C(NC1CC1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H16 compound treatment 0.426 -0.0101 -0.32 0.419 -0.00825 -0.24 -0.3981 -0.9915 1687122 TimTec1_005450 COc1ccc(cc1)C2CC3(OCCO3)C4(CCCCC4)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H17 compound treatment 0.43 -0.00613 -0.19 0.42 -0.00725 -0.21 -0.2882 -0.9985 3212823 TimTec1_005451 Clc1cccc(/C=C\2/SC(=NC2=O)N3CCCC3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H18 compound treatment 0.44 0.00387 0.12 0.457 0.0297 0.88 0.7094 0.7972 1549014 TimTec1_005452 O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCc4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H19 compound treatment 0.428 -0.00813 -0.26 0.442 0.0147 0.44 0.1283 0.2534 1530955 TimTec1_005453 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CC(C)(C)C2)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H20 compound treatment 0.42 -0.0161 -0.51 0.421 -0.00625 -0.19 -0.4896 -0.9068 1138726 TimTec1_005454 CCOC(=O)c1ccccc1NCn2c(=S)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H21 compound treatment 0.417 -0.0191 -0.6 0.409 -0.0182 -0.54 -0.8077 -0.9986 1258567 TimTec1_005455 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H22 compound treatment 0.44 0.00387 0.12 0.439 0.0118 0.35 0.3323 0.9008 1345011 TimTec1_005456 OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)S(=O)(=O)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H23 mock treatment 0.415 -0.0211 -0.66 0.41 -0.0173 -0.51 -0.8312 -0.9916 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 H24 mock treatment 0.446 0.00987 0.31 0.427 -2.5E-4 -0.01 0.2142 0.69 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I01 compound treatment 0.436 -1.29E-4 0.0 0.443 0.0158 0.47 0.3271 0.7009 1452955 TimTec1_005457 CCOC(=O)c1c(oc2ccc(OCC)cc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I02 compound treatment 0.418 -0.0181 -0.57 0.429 0.00175 0.05 -0.3664 -0.6401 1419694 TimTec1_005458 CCCc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I03 compound treatment 0.421 -0.0151 -0.48 0.429 0.00175 0.05 -0.2997 -0.6263 1348330 TimTec1_005459 CCc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I04 compound treatment 0.415 -0.0211 -0.66 0.402 -0.0253 -0.75 -0.9988 -0.9982 1011570 TimTec1_005460 COc1ccc2oc(=O)cc(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I05 compound treatment 0.424 -0.0121 -0.38 0.444 0.0168 0.5 0.0813 0.1299 1591902 TimTec1_005461 NNC(=O)Cc1nc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I06 compound treatment 0.435 -0.00113 -0.04 0.432 0.00475 0.14 0.0744 0.5127 3086226 TimTec1_005462 CCCC(=O)n1c(=S)oc2cc(Cl)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I07 compound treatment 0.412 -0.0241 -0.76 0.424 -0.00325 -0.1 -0.6046 -0.7905 3212824 TimTec1_005463 Cc1ccc(cc1)C(=O)/N=c\2/n(C)n(c(C)nc2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I08 compound treatment 0.414 -0.0221 -0.7 0.414 -0.0133 -0.39 -0.7696 -0.9633 1332287 TimTec1_005464 NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I09 compound treatment 0.33 -0.106 -3.34 0.329 -0.0983 -2.91 -4.4183 -0.9977 1228160 TimTec1_005465 O=C(SCc1nc2ccccc2[nH]1)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I10 compound treatment 0.462 0.0259 0.81 0.467 0.0398 1.18 1.4081 0.9837 3212825 TimTec1_005466 Cc1ccc2cc3/C(=N\C4CCCCC4)/c5ccccc5-c3nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I11 compound treatment 0.417 -0.0191 -0.6 0.428 7.5E-4 0.02 -0.4096 -0.6805 3086229 TimTec1_005467 Cc1ccc2nc(NCc3ccccc3)c(/C=N/c4ccc(Cl)cc4)c(=O)n2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I12 compound treatment 0.446 0.00987 0.31 0.448 0.0208 0.61 0.6542 0.9499 3212826 TimTec1_005468 COc1ccc(/N=C\2/c3ccccc3-c4nc5ccccc5nc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I13 compound treatment 0.452 0.0159 0.5 0.457 0.0297 0.88 0.9762 0.9637 1582817 TimTec1_005469 CN(C)Cc1c(C)cc2oc(=O)c3CCCCc3c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I14 compound treatment 0.442 0.00587 0.18 0.431 0.00375 0.11 0.2091 0.9705 3086232 TimTec1_005470 CCc1ccc(cc1)c2nn(c3ccccc3)c(=S)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I15 compound treatment 0.419 -0.0171 -0.54 0.424 -0.00325 -0.1 -0.4489 -0.8205 3212903 TimTec1_005471 CN(C)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I16 compound treatment 0.429 -0.00713 -0.22 0.431 0.00375 0.11 -0.0799 -0.3195 1444311 TimTec1_005472 COC(=O)c1ccc(OC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I17 compound treatment 0.481 0.0449 1.41 0.464 0.0367 1.09 1.7677 0.9918 3212904 TimTec1_005473 CSc1c(CC(=O)Nc2ccccc2)n(Cc3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I18 compound treatment 0.426 -0.0101 -0.32 0.419 -0.00825 -0.24 -0.3981 -0.9915 3086235 TimTec1_005474 Fc1ccc(/C=N/c2nnc3[nH]cnn23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I19 compound treatment 0.424 -0.0121 -0.38 0.423 -0.00425 -0.13 -0.3587 -0.8932 3212905 TimTec1_005475 CC(C)(C)c1ccc(cc1)c2nc3ccccc3s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I20 compound treatment 0.433 -0.00313 -0.1 0.426 -0.00125 -0.04 -0.0958 -0.9109 3086300 TimTec1_005476 CCC1(C)OC(=O)N(C1=C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I21 compound treatment 0.452 0.0159 0.5 0.426 -0.00125 -0.04 0.3267 0.6528 3086302 TimTec1_005477 COCc1cc(C)nc2snc(Br)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I22 compound treatment 0.425 -0.0111 -0.35 0.415 -0.0123 -0.36 -0.5041 -0.9998 3212906 TimTec1_005478 Cc1cc(C)c2c(N)c(sc2n1)C(=O)OC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I23 mock treatment 0.428 -0.00813 -0.26 0.423 -0.00425 -0.13 -0.2698 -0.9468 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 I24 mock treatment 0.45 0.0139 0.44 0.411 -0.0163 -0.48 -0.0321 -0.0494 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J01 compound treatment 0.424 -0.0121 -0.38 0.418 -0.00925 -0.27 -0.4635 -0.9869 1654696 TimTec1_005479 CC(C)C1N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J02 compound treatment 0.419 -0.0171 -0.54 0.437 0.00975 0.29 -0.1766 -0.2889 3086304 TimTec1_005480 FC(F)(F)COc1nc(nc(n1)N2CCN(CC2)c3ccccc3)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J03 compound treatment 0.438 0.00187 0.06 0.434 0.00675 0.2 0.183 0.8779 1724083 TimTec1_005481 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J04 compound treatment 0.368 -0.0681 -2.14 0.373 -0.0543 -1.61 -2.6515 -0.99 3086306 TimTec1_005482 CCCCc1c(C)c2ccc(OCC=C)cc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J05 compound treatment 0.466 0.0299 0.94 0.464 0.0367 1.09 1.4342 0.9973 3212907 TimTec1_005483 COC(=O)CSC1=NC(=O)/C(=C/c2ccc(OC)cc2)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J06 compound treatment 0.476 0.0399 1.25 0.488 0.0607 1.8 2.1594 0.9844 3086308 TimTec1_005484 Brc1cc2OCOc2cc1/C=N/c3c(nc4ccccn34)c5ccco5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J07 compound treatment 0.444 0.00787 0.25 0.432 0.00475 0.14 0.2745 0.9642 3212908 TimTec1_005485 Clc1ccc(Oc2ccc(/N=C/c3ccc(I)o3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J08 compound treatment 0.434 -0.00213 -0.07 0.419 -0.00825 -0.24 -0.2202 -0.8688 3212909 TimTec1_005486 CC(=O)NC1=NC(=O)/C(=C\c2ccc(C)cc2)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J09 compound treatment 0.443 0.00687 0.22 0.431 0.00375 0.11 0.2313 0.9522 3086311 TimTec1_005487 CCn1c2ccccc2c3cc(/C=N/c4ccc(Cl)cc4)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J10 compound treatment 0.477 0.0409 1.29 0.459 0.0318 0.94 1.574 0.9882 1618704 TimTec1_005488 Cc1cc(=O)oc2c(C)c(O)c(CC=C)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J11 compound treatment 0.434 -0.00213 -0.07 0.427 -2.5E-4 -0.01 -0.0526 -0.7806 1654232 TimTec1_005489 CN(CP(=O)(O)CN1CCOCC1)S(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J12 compound treatment 0.427 -0.00913 -0.29 0.43 0.00275 0.08 -0.1454 -0.4871 3212910 TimTec1_005490 Clc1ccc(cc1)N2C(=C)C3(CCCCC3)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J13 compound treatment 0.43 -0.00613 -0.19 0.432 0.00475 0.14 -0.0367 -0.154 3212911 TimTec1_005491 OCCn/1c(cs\c1=N/c2ccccc2)c3cccc(c3)N4C(=O)c5ccccc5C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J14 compound treatment 0.466 0.0299 0.94 0.474 0.0468 1.39 1.6437 0.9821 3086315 TimTec1_005492 OCCn/1c(cs\c1=N/c2cccc(c2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J15 compound treatment 0.43 -0.00613 -0.19 0.409 -0.0182 -0.54 -0.5187 -0.9034 1655602 TimTec1_005493 CCOC(=O)C(Cc1ccc(NC(=O)c2ccccc2)cc1)N3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J16 compound treatment 0.433 -0.00313 -0.1 0.416 -0.0113 -0.33 -0.3053 -0.8783 1386199 TimTec1_005494 CC1(C)OC(=O)N(CCCC(=O)O)C1(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J17 compound treatment 0.418 -0.0181 -0.57 0.415 -0.0123 -0.36 -0.6597 -0.9763 1068676 TimTec1_005495 Cc1ccc(cc1)S(=O)(=O)C=C(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J18 compound treatment 0.455 0.0189 0.59 0.443 0.0158 0.47 0.7496 0.9929 3086318 TimTec1_005496 CCOC(=O)C1=C(NC(=S)NC1c2cccc(OC)c2O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J19 compound treatment 0.435 -0.00113 -0.04 0.43 0.00275 0.08 0.0325 0.3658 1433302 TimTec1_005497 COc1cccc(c1)c2nn(CN3CCCC3)c(=S)n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J20 compound treatment 0.437 8.71E-4 0.03 0.433 0.00575 0.17 0.1398 0.8104 3212912 TimTec1_005498 COc1ccc(CN(C2CC(=O)N(C2=O)c3ccccc3)C(=O)/C=C/C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J21 compound treatment 0.439 0.00287 0.09 0.424 -0.00325 -0.1 -0.0043 -0.0323 3086320 TimTec1_005499 CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc4CCCc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J22 compound treatment 0.425 -0.0111 -0.35 0.423 -0.00425 -0.13 -0.3365 -0.9048 3212913 TimTec1_005500 CCOc1cc(/C=c/2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(Cl)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J23 mock treatment 0.428 -0.00813 -0.26 0.41 -0.0173 -0.51 -0.5422 -0.9487 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 J24 mock treatment 0.454 0.0179 0.56 0.441 0.0138 0.41 0.6854 0.9875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K01 compound treatment 0.432 -0.00413 -0.13 0.412 -0.0153 -0.45 -0.4113 -0.8749 1526103 TimTec1_005501 CC(=O)Oc1ccc2oc(c(C(=O)O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K02 compound treatment 0.43 -0.00613 -0.19 0.447 0.0198 0.59 0.2775 0.4505 1186869 TimTec1_005502 COc1ccccc1C(=O)Nc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K03 compound treatment 0.417 -0.0191 -0.6 0.433 0.00575 0.17 -0.3048 -0.4876 3212914 TimTec1_005503 O=C(NC(=S)NC1CCCC1)/C=C/c2ccc3OCOc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K04 compound treatment 0.414 -0.0221 -0.7 0.422 -0.00525 -0.16 -0.602 -0.8444 3086394 TimTec1_005504 Cc1ccc(cc1)S(=O)(=O)N=C2NCN(CN2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K05 compound treatment 0.425 -0.0111 -0.35 0.432 0.00475 0.14 -0.1479 -0.3922 1131736 TimTec1_005505 COc1ccc(cc1OC)c2c(C)nn(c2NC(=O)C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K06 compound treatment 0.433 -0.00313 -0.1 0.432 0.00475 0.14 0.03 0.1744 1007406 TimTec1_005506 COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K07 compound treatment 0.422 -0.0141 -0.44 0.425 -0.00225 -0.07 -0.3613 -0.8042 3212915 TimTec1_005507 Clc1ccccc1C(=O)N=C2NCCCCCN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K08 compound treatment 0.399 -0.0371 -1.17 0.386 -0.0413 -1.22 -1.6898 -0.9997 1323784 TimTec1_005508 Cc1cccc(c1)S(=O)(=O)N2CCSC2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K09 compound treatment 0.434 -0.00213 -0.07 0.417 -0.0103 -0.3 -0.2621 -0.8427 1116167 TimTec1_005509 Cn1c(=O)n(C)c2nc(Br)n(CC(=O)c3ccccc3)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K10 compound treatment 0.441 0.00487 0.15 0.436 0.00875 0.26 0.2916 0.9685 1464973 TimTec1_005510 OC(=O)c1cc(c2ccccc2)c(cn1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K11 compound treatment 0.511 0.0749 2.35 0.533 0.106 3.13 3.8804 0.9901 3212916 TimTec1_005511 Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/O)c(=O)n2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K12 compound treatment 0.454 0.0179 0.56 0.465 0.0377 1.12 1.1883 0.9493 3086399 TimTec1_005512 Cc1cccc2nc3/C(=N\c4ccccc4)/c5ccccc5-c3nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K13 compound treatment 0.44 0.00387 0.12 0.443 0.0158 0.47 0.4161 0.8627 1486848 TimTec1_005513 CCCc1cc2c(=O)c(coc2cc1O)c3nc4ccccc4n3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K14 compound treatment 0.434 -0.00213 -0.07 1.446 1.02 30.19 21.2982 0.7055 3086401 TimTec1_005514 CSc1cccc2c(SC)cccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K15 compound treatment 0.417 -0.0191 -0.6 0.391 -0.0362 -1.07 -1.1848 -0.9624 3212917 TimTec1_005515 C(N1CCN(CC1)/N=C/c2ccncc2)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K16 compound treatment 0.44 0.00387 0.12 0.437 0.00975 0.29 0.2904 0.9262 3086404 TimTec1_005516 O=c1/c(=C/C=C/c2ccccc2)/sc3nc4ccccc4n13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K17 compound treatment 0.44 0.00387 0.12 0.432 0.00475 0.14 0.1856 0.9974 1919931 TimTec1_005517 Sc1nnc(o1)C2(CCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K18 compound treatment 0.456 0.0199 0.62 0.435 0.00775 0.23 0.6042 0.9076 3212918 TimTec1_005518 Cc1ccc(cc1)C2=C/C(=C/c3c(O)ccc4ccccc34)/C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K19 compound treatment 0.44 0.00387 0.12 0.421 -0.00625 -0.19 -0.0449 -0.2025 3086406 TimTec1_005519 COc1ccc(cc1)N2C(=O)CC(S/C(=N/c3ccccc3)/N)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K20 compound treatment 0.396 -0.0401 -1.26 0.393 -0.0343 -1.01 -1.6099 -0.9942 3212919 TimTec1_005520 COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)oc4ccccc43)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K21 compound treatment 0.451 0.0149 0.47 0.443 0.0158 0.47 0.6606 1.0 3086408 TimTec1_005521 Cc1ccccc1C2C(=C(N)SC(=C2C#N)N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K22 compound treatment 0.489 0.0529 1.66 0.479 0.0517 1.53 2.2598 0.9992 3212920 TimTec1_005522 COc1ccc(cc1)C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K23 mock treatment 0.427 -0.00913 -0.29 0.415 -0.0123 -0.36 -0.4596 -0.9932 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 K24 mock treatment 0.438 0.00187 0.06 0.443 0.0158 0.47 0.3716 0.79 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L01 compound treatment 0.454 0.0179 0.56 0.449 0.0217 0.64 0.8531 0.9977 3212921 TimTec1_005523 Oc1ccc(Br)cc1/C=N/c2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L02 compound treatment 0.415 -0.0211 -0.66 0.412 -0.0153 -0.45 -0.7893 -0.9824 3086411 TimTec1_005524 Fc1cccc(c1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L03 compound treatment 0.46 0.0239 0.75 0.471 0.0437 1.3 1.4474 0.9662 3086413 TimTec1_005525 NC1=C(C#N)C(c2ccsc2)c3ccc4ccccc4c3O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L04 compound treatment 0.385 -0.0511 -1.61 0.398 -0.0293 -0.87 -1.7497 -0.958 1682053 TimTec1_005526 Cc1ccc2nc(cn2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L05 compound treatment 0.45 0.0139 0.44 0.456 0.0288 0.85 0.9108 0.9517 1536268 TimTec1_005527 Cc1ccc(cc1)N2C(=C(C#N)C(C3=C2CC(C)(C)CC3=O)c4ccccc4)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L06 compound treatment 0.428 -0.00813 -0.26 0.402 -0.0253 -0.75 -0.7098 -0.8977 3211217 TimTec1_005528 CC1(C)NN1CCCN2NC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L07 compound treatment 0.43 -0.00613 -0.19 0.419 -0.00825 -0.24 -0.3091 -0.9931 1273515 TimTec1_005529 OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc2ccc(Oc3ccccc3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L08 compound treatment 0.411 -0.0251 -0.79 0.412 -0.0153 -0.45 -0.8782 -0.9649 1548568 TimTec1_005530 C=CCNC(=O)C1CC1(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L09 compound treatment 0.44 0.00387 0.12 0.434 0.00675 0.2 0.2275 0.9716 3211218 TimTec1_005531 Cc1ccc2nc(sc2c1)c3ccc(/N=C\c4ccc[nH]4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L10 compound treatment 0.43 -0.00613 -0.19 0.444 0.0168 0.5 0.2147 0.4032 1209920 TimTec1_005532 OCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L11 compound treatment 0.425 -0.0111 -0.35 0.436 0.00875 0.26 -0.0641 -0.1472 1148781 TimTec1_005533 CCN(CC)C(=O)c1ccc(o1)C(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L12 compound treatment 0.491 0.0549 1.73 0.497 0.0698 2.07 2.6814 0.996 3211219 TimTec1_005534 CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L13 compound treatment 0.431 -0.00513 -0.16 0.411 -0.0163 -0.48 -0.4545 -0.8951 1175161 TimTec1_005535 O=P(CCN1CCOCC1)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L14 compound treatment 0.42 -0.0161 -0.51 0.433 0.00575 0.17 -0.2381 -0.4451 3086492 TimTec1_005536 OC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L15 compound treatment 0.438 0.00187 0.06 0.427 -2.5E-4 -0.01 0.0364 0.6132 3211220 TimTec1_005537 CCOC(=O)CC1=C(C#N)C(C(=C(N)O1)C(=O)OCC)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L16 compound treatment 0.463 0.0269 0.84 0.439 0.0118 0.35 0.8436 0.9232 1174009 TimTec1_005538 CCCSc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L17 compound treatment 0.535 0.0989 3.11 0.531 0.104 3.07 4.3721 1.0 3211221 TimTec1_005539 COc1cc(/C=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L18 compound treatment 0.832 0.396 12.45 0.431 0.00375 0.11 8.8803 0.7134 3211222 TimTec1_005540 CC(=O)N1c2ccccc2C3=NNC(=S)NC13O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L19 compound treatment 0.445 0.00887 0.28 0.446 0.0187 0.56 0.5901 0.9492 3086496 TimTec1_005541 COc1cc(/C=N/c2ccc(\N=C\c3ccc(OC(=O)C)c(OC)c3)cc2)ccc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L20 compound treatment 0.443 0.00687 0.22 0.429 0.00175 0.05 0.1894 0.8526 3211223 TimTec1_005542 O=C/1N(C2CCCC2)/C(=N\c3ccccc3)/S\C1=C\c4c[nH]c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L21 compound treatment 0.446 0.00987 0.31 0.457 0.0297 0.88 0.8428 0.9018 1270230 TimTec1_005543 COC(=O)C1=C(N)N(C2=C(C1c3ccc(OC)cc3)C(=O)CCC2)c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L22 compound treatment 0.421 -0.0151 -0.48 0.411 -0.0163 -0.48 -0.6769 -1.0 3086498 TimTec1_005544 CC(C)/C=N/N1C(C(C)C)C(C#N)(C#N)C(=C1N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L23 mock treatment 0.413 -0.0231 -0.73 0.412 -0.0153 -0.45 -0.8338 -0.9738 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 L24 mock treatment 0.451 0.0149 0.47 0.438 0.0107 0.32 0.5559 0.9825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M01 compound treatment 0.453 0.0169 0.53 0.454 0.0267 0.79 0.9356 0.9809 1414805 TimTec1_005545 CC(NC(=O)OCc1ccccc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M02 compound treatment 0.459 0.0229 0.72 0.471 0.0437 1.3 1.4252 0.9614 3086501 TimTec1_005546 CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(=C(C#N)C1c3ccc(F)cc3)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M03 compound treatment 0.421 -0.0151 -0.48 0.446 0.0187 0.56 0.0565 0.0772 1514197 TimTec1_005547 Cc1cccc(NCN2C(=O)CSC2=O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M04 compound treatment 0.435 -0.00113 -0.04 0.434 0.00675 0.2 0.1163 0.5727 1084346 TimTec1_005548 CCOC(=O)Cc1nc2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M05 compound treatment 0.437 8.71E-4 0.03 0.436 0.00875 0.26 0.2027 0.7775 1367503 TimTec1_005549 CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M06 compound treatment 0.449 0.0129 0.4 0.449 0.0217 0.64 0.7419 0.9749 1003422 TimTec1_005550 CC(=O)Oc1ccc(cc1)C(=O)c2ccc(OC(=O)C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M07 compound treatment 0.396 -0.0401 -1.26 0.363 -0.0643 -1.9 -2.2384 -0.98 3085493 TimTec1_005551 CC1=C(N(N/C(=N\CC=C)/S1)c2ccc3OCCOc3c2)C(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M08 compound treatment 0.427 -0.00913 -0.29 0.43 0.00275 0.08 -0.1454 -0.4871 1442839 TimTec1_005552 OCCN1CCN(CC1)C(=O)Nc2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M09 compound treatment 0.453 0.0169 0.53 0.456 0.0288 0.85 0.9775 0.974 1468923 TimTec1_005553 CCOC(=O)c1c(N)cc2[nH]c(=S)[nH]c(=O)c2c1c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M10 compound treatment 0.467 0.0309 0.97 0.458 0.0308 0.91 1.3307 0.9995 3085496 TimTec1_005554 Cc1ccccc1c2nccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M11 compound treatment 0.44 0.00387 0.12 0.434 0.00675 0.2 0.2275 0.9716 1298715 TimTec1_005555 CCOC(=O)NS(=O)(=O)c1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M12 compound treatment 0.467 0.0309 0.97 0.448 0.0208 0.61 1.1212 0.9757 3211224 TimTec1_005556 Cc1ccc-2c(c1)/C(=C/c3ccncc3)/c4cc5ccccc5nc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M13 compound treatment 0.43 -0.00613 -0.19 0.419 -0.00825 -0.24 -0.3091 -0.9931 1313295 TimTec1_005557 Cc1c(OCC(=O)OCc2ccccc2)ccc3c4ccccc4c(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M14 compound treatment 0.425 -0.0111 -0.35 0.437 0.00975 0.29 -0.0432 -0.0951 1489666 TimTec1_005558 COC(=O)C(C)N(C(=O)c1c(F)cccc1F)c2c(C)cccc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M15 compound treatment 0.461 0.0249 0.78 0.454 0.0267 0.79 1.1135 1.0 1632514 TimTec1_005559 Clc1ccccc1N2C(=O)CC(Nc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M16 compound treatment 0.482 0.0459 1.44 0.473 0.0457 1.36 1.9785 0.9995 3085499 TimTec1_005560 CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M17 compound treatment 0.439 0.00287 0.09 0.433 0.00575 0.17 0.1843 0.9559 3211225 TimTec1_005561 CC1(C)OC(=O)N(Cc2ccccc2)C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M18 compound treatment 0.436 -1.29E-4 0.0 0.441 0.0138 0.41 0.2852 0.7 1242728 TimTec1_005562 Cc1ccc(NS(=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M19 compound treatment 0.456 0.0199 0.62 0.439 0.0118 0.35 0.688 0.9619 1175444 TimTec1_005563 CCOc1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M20 compound treatment 0.425 -0.0111 -0.35 0.473 0.0457 1.36 0.7111 0.5079 1133231 TimTec1_005564 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M21 compound treatment 0.489 0.0529 1.66 0.484 0.0568 1.68 2.3646 1.0 3085503 TimTec1_005565 COc1cc(/C=N/c2c(nc3ccccn23)c4ccc(O)c(OC)c4)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M22 compound treatment 0.47 0.0339 1.07 0.475 0.0478 1.41 1.7536 0.9902 3211226 TimTec1_005566 CC(=O)N1CC=C2[C@H](C1)[C@@H](c3ccc(F)cc3F)C(C#N)(C#N)C(=C2C#N)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M23 mock treatment 0.433 -0.00313 -0.1 0.421 -0.00625 -0.19 -0.2005 -0.9562 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 M24 mock treatment 0.452 0.0159 0.5 0.436 0.00875 0.26 0.5362 0.9535 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N01 compound treatment 0.484 0.0479 1.51 0.482 0.0548 1.62 2.2115 0.9993 2116249 TimTec1_005567 O=C/1NC(=S)N(C(=O)\C1=C\c2c[nH]c3ccccc23)c4cccc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N02 compound treatment 0.404 -0.0321 -1.01 0.399 -0.0283 -0.84 -1.3063 -0.9956 1630568 TimTec1_005568 CC(=Cc1c(O)nc2ccccn2c1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N03 compound treatment 0.429 -0.00713 -0.22 0.424 -0.00325 -0.1 -0.2266 -0.9288 1455275 TimTec1_005569 CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c3nc4ccccc4cc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N04 compound treatment 0.411 -0.0251 -0.79 0.405 -0.0222 -0.66 -1.0249 -0.996 1423540 TimTec1_005570 CCNC(=O)C1CN(C(=O)C1)c2ccc(C)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N05 compound treatment 0.442 0.00587 0.18 0.448 0.0208 0.61 0.5653 0.8806 3211227 TimTec1_005571 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N06 compound treatment 0.45 0.0139 0.44 0.445 0.0177 0.53 0.6803 0.9957 3085508 TimTec1_005572 CCOC(=O)Cn/1c(cs\c1=N/c2ccc(F)cc2)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N07 compound treatment 0.429 -0.00713 -0.22 0.417 -0.0103 -0.3 -0.3733 -0.9888 3211228 TimTec1_005573 S=c1[nH]nc([nH]1)C2CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N08 compound treatment 0.456 0.0199 0.62 0.462 0.0348 1.03 1.1699 0.9713 1670836 TimTec1_005574 COc1ccc2C(=O)C(CCc2c1C)C3(O)C(=O)N(C)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N09 compound treatment 0.442 0.00587 0.18 0.443 0.0158 0.47 0.4605 0.9176 2116264 TimTec1_005575 Cc1[nH]c2ccccc2c1/C=N/c3ccc(\N=C\c4c(C)[nH]c5ccccc45)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N10 compound treatment 0.424 -0.0121 -0.38 0.415 -0.0123 -0.36 -0.5263 -0.9997 1703166 TimTec1_005576 Cn1c(SCC(=O)N2CCCCC2)nc3n(C)c(=O)n(C)c(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N11 compound treatment 0.437 8.71E-4 0.03 0.434 0.00675 0.2 0.1608 0.7965 3211229 TimTec1_005577 COc1ccc(cc1)n2nc(C#N)c(N)c(C#N)c2=N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N12 compound treatment 0.419 -0.0171 -0.54 0.434 0.00675 0.2 -0.2394 -0.4167 3085531 TimTec1_005578 O=C(Cn1nnc2ccccc12)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N13 compound treatment 0.458 0.0219 0.69 0.461 0.0338 1.0 1.1934 0.9833 1157884 TimTec1_005579 Cc1ccc(cc1C)c2csc(Nc3ccc4OCOc4c3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N14 compound treatment 0.423 -0.0131 -0.41 0.413 -0.0143 -0.42 -0.5905 -0.9999 1380401 TimTec1_005580 CCOc1ccc(cc1)N2C(=O)CC(N(Cc3ccc(Cl)cc3)C(=O)c4ccc(Cl)cc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N15 compound treatment 0.373 -0.0631 -1.98 0.387 -0.0403 -1.19 -2.247 -0.9703 3085535 TimTec1_005581 OC(=O)CN1C(=O)/C(=C\c2ccsc2)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N16 compound treatment 0.428 -0.00813 -0.26 0.44 0.0127 0.38 0.0864 0.1894 3211425 TimTec1_005582 Oc1ccccc1/C=N/c2ccc3nc(SCC(=O)NCCOc4ccccc4)sc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N17 compound treatment 0.434 -0.00213 -0.07 0.421 -0.00625 -0.19 -0.1783 -0.9054 1583377 TimTec1_005583 CC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N18 compound treatment 0.436 -1.29E-4 0.0 0.425 -0.00225 -0.07 -0.05 -0.7488 1137144 TimTec1_005584 Nc1nnc(CCN2CCCCC2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N19 compound treatment 0.428 -0.00813 -0.26 0.418 -0.00925 -0.27 -0.3746 -0.9994 3211426 TimTec1_005585 CC1=C(C(NC(=O)N1)c2ccc3OCOc3c2)C(=O)OCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N20 compound treatment 0.434 -0.00213 -0.07 0.433 0.00575 0.17 0.0731 0.3995 3211427 TimTec1_005586 COc1cc(/C=C\2/S/C(=N/Cc3ccccc3)/N(Cc4ccccc4)C2=O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N21 compound treatment 0.458 0.0219 0.69 0.454 0.0267 0.79 1.0468 0.9975 3085538 TimTec1_005587 Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N22 compound treatment 0.483 0.0469 1.47 0.485 0.0578 1.71 2.2521 0.9972 1176605 TimTec1_005588 Fc1ccc(cc1)c2nc3c([nH]2)c4ccccc4c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N23 mock treatment 0.434 -0.00213 -0.07 0.422 -0.00525 -0.16 -0.1573 -0.929 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 N24 mock treatment 0.448 0.0119 0.37 0.428 7.5E-4 0.02 0.2797 0.7479 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O01 compound treatment 0.485 0.0489 1.54 0.489 0.0617 1.83 2.3804 0.9962 1527225 TimTec1_005589 CCc1cc2c(=O)c(c3nc4ccccc4[nH]3)c(C)oc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O02 compound treatment 0.453 0.0169 0.53 0.467 0.0398 1.18 1.208 0.9351 3085541 TimTec1_005590 NC1=C(C#N)C2=CCSC[C@H]2[C@H](c3cccc(Cl)c3)C1(C#N)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O03 compound treatment 0.431 -0.00513 -0.16 0.436 0.00875 0.26 0.0693 0.227 1190084 TimTec1_005591 CCOc1ccccc1C(=O)NCCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O04 compound treatment 0.42 -0.0161 -0.51 0.425 -0.00225 -0.07 -0.4058 -0.7932 1047189 TimTec1_005592 Clc1ccc(cc1)S(=O)(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O05 compound treatment 0.436 -1.29E-4 0.0 0.434 0.00675 0.2 0.1386 0.6926 3211428 TimTec1_005593 CC(C)(C)OC(=O)C1CCC(CN1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O06 compound treatment 0.428 -0.00813 -0.26 0.436 0.00875 0.26 0.0026 0.0071 1652072 TimTec1_005594 COC(=O)C1C(C(C(=O)OC)C(C)(O)CC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O07 compound treatment 0.44 0.00387 0.12 0.421 -0.00625 -0.19 -0.0449 -0.2025 3211429 TimTec1_005595 Clc1cccc(NC(=O)N=C2NCCCCCN2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O08 compound treatment 0.459 0.0229 0.72 0.445 0.0177 0.53 0.8804 0.9882 1649723 TimTec1_005596 CC(C)CN1C(=O)N(C(n2oc(=O)n(c3ccccc3)c2=O)C1(C)C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O09 compound treatment 0.459 0.0229 0.72 0.457 0.0297 0.88 1.1319 0.9949 1511407 TimTec1_005597 CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O10 compound treatment 0.476 0.0399 1.25 0.458 0.0308 0.91 1.5308 0.9877 3085546 TimTec1_005598 Cc1ccccc1c2ccc3cccc(C)c3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O11 compound treatment 0.482 0.0459 1.44 0.48 0.0527 1.56 2.1251 0.9992 3211430 TimTec1_005599 S(c1nnc[nH]1)c2nc3ccccc3nc2Sc4nnc[nH]4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O12 compound treatment 0.465 0.0289 0.91 0.446 0.0187 0.56 1.0348 0.9722 1067246 TimTec1_005600 COc1ccc(C)c2C(=O)CCCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O13 compound treatment 0.435 -0.00113 -0.04 0.429 0.00175 0.05 0.0116 0.184 1520144 TimTec1_005601 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O14 compound treatment 0.465 0.0289 0.91 0.464 0.0367 1.09 1.4119 0.9959 1641803 TimTec1_005602 Clc1cc(OC(=O)C2CCCCC2)ccc1OC(=O)C3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O15 compound treatment 0.497 0.0609 1.91 0.491 0.0638 1.89 2.6891 1.0 3211431 TimTec1_005603 OC1=C(C#N)[C@@H]([C@H](C(=O)N1CCc2ccccc2)[n+]3ccccc3)c4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O16 compound treatment 0.466 0.0299 0.94 0.456 0.0288 0.85 1.2665 0.9988 1578376 TimTec1_005604 Cc1cc(=O)oc2cc(OC(=O)c3cc4ccccc4o3)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O17 compound treatment 0.415 -0.0211 -0.66 0.414 -0.0133 -0.39 -0.7474 -0.9685 3211432 TimTec1_005605 CCc1nc(SC/C=C/c2ccccc2)c(C#N)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O18 compound treatment 0.457 0.0209 0.66 0.445 0.0177 0.53 0.836 0.994 1218415 TimTec1_005606 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(OCC(=O)N3CCCCC3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O19 compound treatment 0.497 0.0609 1.91 0.497 0.0698 2.07 2.8148 0.9993 1784221 TimTec1_005607 CCc1oc2ccccc2c1C(=O)CCN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O20 compound treatment 0.438 0.00187 0.06 0.444 0.0168 0.5 0.3926 0.7854 3085555 TimTec1_005608 Cc1c(Cl)cccc1NC2=NS(=O)(=O)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O21 compound treatment 0.436 -1.29E-4 0.0 0.439 0.0118 0.35 0.2433 0.6988 1638741 TimTec1_005609 CC(C)NC(=O)C1CN(CCN1S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O22 compound treatment 0.439 0.00287 0.09 0.441 0.0138 0.41 0.3519 0.8433 3211433 TimTec1_005610 COc1ccc(cc1)C(=O)CSc2nsc(SCC(=O)c3ccc(OC)cc3)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O23 mock treatment 0.445 0.00887 0.28 0.455 0.0278 0.82 0.7787 0.8968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 O24 mock treatment 0.463 0.0269 0.84 0.457 0.0297 0.88 1.2208 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P01 compound treatment 0.494 0.0579 1.82 0.499 0.0717 2.13 2.7901 0.997 3085557 TimTec1_005611 Oc1ccc(Br)cc1/C=N/CC2CCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P02 compound treatment 0.451 0.0149 0.47 0.456 0.0288 0.85 0.933 0.9601 1175377 TimTec1_005612 Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P03 compound treatment 0.448 0.0119 0.37 0.463 0.0357 1.06 1.013 0.9019 3211434 TimTec1_005613 Cc1ccccc1c2nnc3-c4ccccc4CC(C)(C)n23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P04 compound treatment 0.471 0.0349 1.1 0.46 0.0328 0.97 1.4615 0.9981 1673398 TimTec1_005614 CCCC1C(C2c3ccccc3C1c4ccccc24)C(=O)Nc5ccccc5OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P05 compound treatment 0.472 0.0359 1.13 0.456 0.0288 0.85 1.3999 0.9904 1642050 TimTec1_005615 N#Cc1ccc(cc1C#N)n2nnc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P06 compound treatment 0.398 -0.0381 -1.2 0.385 -0.0423 -1.25 -1.733 -0.9998 1492547 TimTec1_005616 CC1(C)CC(=O)c2cc(c3ccc(Br)cc3)n(CC(=O)O)c2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P07 compound treatment 0.457 0.0209 0.66 0.453 0.0257 0.76 1.0036 0.9972 3085561 TimTec1_005617 Oc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P08 compound treatment 0.47 0.0339 1.07 0.508 0.0808 2.39 2.445 0.9335 3211435 TimTec1_005618 CCOc1ccc2ccccc2c1/C=C/3\C(=O)NC(=S)N(C3=O)c4cccc(Cl)c4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P09 compound treatment 0.488 0.0519 1.63 0.484 0.0568 1.68 2.3424 0.9999 3085562 TimTec1_005619 COc1cccc(c1)c2nnc(SCC(=O)NCCOc3ccccc3)n2c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P10 compound treatment 0.462 0.0259 0.81 0.446 0.0187 0.56 0.9681 0.9827 3211436 TimTec1_005620 Cn1cnnc1SCN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P11 compound treatment 0.465 0.0289 0.91 0.439 0.0118 0.35 0.8881 0.9134 1443624 TimTec1_005621 CCOP(=O)(C)C1(CC1)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P12 compound treatment 0.445 0.00887 0.28 0.439 0.0118 0.35 0.4434 0.994 1354424 TimTec1_005622 CCN(CC)C(=O)C1(CC1)P(=O)(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P13 compound treatment 0.469 0.0329 1.03 0.452 0.0248 0.73 1.2494 0.9859 1466364 TimTec1_005623 COCc1cc(C)c2c(n1)sc3c4nc5ccccc5n4c(C)nc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P14 compound treatment 0.47 0.0339 1.07 0.477 0.0498 1.47 1.7955 0.9873 3211437 TimTec1_005624 C=CCN/1C(=O)/C(=C\c2cccs2)/S\C1=N\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P15 compound treatment 0.483 0.0469 1.47 0.486 0.0587 1.74 2.2731 0.9966 1444037 TimTec1_005625 Nc1nc(CCc2ccccc2)c(C#N)c(N)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P16 compound treatment 0.542 0.106 3.33 0.535 0.108 3.19 4.6116 0.9998 3085567 TimTec1_005626 COc1ccc2NC(=O)/C(=C/3\SC(=S)NC3=O)/c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P17 compound treatment 0.48 0.0439 1.38 0.461 0.0338 1.0 1.6826 0.9875 1603829 TimTec1_005627 Nc1nc(CSc2nc3ccccc3s2)nc(Nc4ccccc4)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P18 compound treatment 0.482 0.0459 1.44 0.492 0.0648 1.92 2.3766 0.9901 1171831 TimTec1_005628 Cc1ccc(Nc2nc(C)nc3c4ccccc4oc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P19 compound treatment 0.461 0.0249 0.78 0.464 0.0367 1.09 1.323 0.9868 1524350 TimTec1_005629 COC(=O)c1ccc(NC(=O)Cn2nc(SC)n(N)c2=S)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P20 compound treatment 0.509 0.0729 2.29 0.508 0.0808 2.39 3.3121 0.9998 3211438 TimTec1_005630 CCOC(=O)/C=C/c1ccco1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P21 compound treatment 0.478 0.0419 1.32 0.478 0.0508 1.5 1.9943 0.9978 3211439 TimTec1_005631 CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P22 compound treatment 0.465 0.0289 0.91 0.456 0.0288 0.85 1.2443 0.9995 3085589 TimTec1_005632 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)ccc1OCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P23 mock treatment 0.451 0.0149 0.47 0.453 0.0257 0.76 0.8702 0.9724 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2078 P24 mock treatment 0.475 0.0389 1.22 0.487 0.0597 1.77 2.1162 0.9836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A01 compound treatment 0.501 0.0144 0.45 0.502 0.00289 0.09 0.3808 0.8263 3211440 TimTec1_005633 CC(=O)n1cc(/C=c\2/sc3nc4c(C)c(C)ccc4n3c2=O)c(n1)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A02 compound treatment 0.523 0.0364 1.14 0.574 0.0749 2.22 2.3785 0.9526 3085592 TimTec1_005634 Cc1nc(N)sc1c2csc(Nc3cccc(Cl)c3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A03 compound treatment 0.505 0.0184 0.58 0.514 0.0149 0.44 0.7211 0.9911 3211529 TimTec1_005635 CCC(=O)N1N=C(CC1(O)c2ccc(F)cc2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A04 compound treatment 0.477 -0.0096 -0.3 0.475 -0.0241 -0.71 -0.7186 -0.9266 1419705 TimTec1_005636 CC1CCC(=C(C#N)C(=O)NCc2ccccc2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A05 compound treatment 0.558 0.0714 2.25 0.544 0.0449 1.33 2.5281 0.9688 1732858 TimTec1_005637 Fc1ccc2C(=O)N(C3CCCCCCC3)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A06 compound treatment 0.521 0.0344 1.08 0.515 0.0159 0.47 1.0978 0.9306 3211530 TimTec1_005638 Fc1ccc(cc1)C2Nc3ccc(OC(F)(F)F)cc3C4C=CCC42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A07 compound treatment 0.514 0.0274 0.86 0.522 0.0229 0.68 1.0889 0.993 1737054 TimTec1_005639 Nn1c(CO)nc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A08 compound treatment 0.509 0.0224 0.7 0.524 0.0249 0.74 1.0196 0.9997 1175030 TimTec1_005640 CC(C)(O)c1cn2ccccc2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A09 compound treatment 0.516 0.0294 0.92 0.525 0.0259 0.77 1.1962 0.9957 1364286 TimTec1_005641 COc1ccc(cc1)C(CC#N)C2CCOC(C)(C)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A10 compound treatment 0.484 -0.0026 -0.08 0.501 0.00189 0.06 -0.0181 -0.183 1357576 TimTec1_005642 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A11 compound treatment 0.534 0.0474 1.49 0.53 0.0309 0.92 1.7012 0.9726 3211531 TimTec1_005643 CNC(=S)N(C)/N=C\1/C(=O)N(Cc2c(Cl)cccc2Cl)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A12 compound treatment 0.503 0.0164 0.52 0.52 0.0209 0.62 0.8024 0.9959 3085598 TimTec1_005644 CCc1nn2c(C)cc(O)nc2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A13 compound treatment 0.519 0.0324 1.02 0.526 0.0269 0.8 1.2839 0.9926 1530862 TimTec1_005645 C1Cc2c(C1)c3c(ccc4ccccc43)nc2c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A14 compound treatment 0.486 -6.0E-4 -0.02 0.506 0.00689 0.2 0.1311 0.6391 1575017 TimTec1_005646 CC1CN(OC(O1)c2ccc3OCOc3c2)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A15 compound treatment 0.523 0.0364 1.14 0.513 0.0139 0.41 1.1004 0.9047 3085600 TimTec1_005647 OC(=O)C1CC(=O)N(Cc2ccccc2)/C(=N/c3ccc(F)cc3)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A16 compound treatment 0.502 0.0154 0.48 0.512 0.0129 0.38 0.6125 0.9931 1628881 TimTec1_005648 CCC(N)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A17 compound treatment 0.507 0.0204 0.64 0.501 0.00189 0.06 0.4932 0.766 3085602 TimTec1_005649 FC(F)(F)c1cccc(NCn2c(=S)oc3ccc(Cl)cc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A18 compound treatment 0.539 0.0524 1.65 0.517 0.0179 0.53 1.54 0.8897 1127153 TimTec1_005650 CC(C)c1ccccc1NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A19 compound treatment 0.485 -0.0016 -0.05 0.514 0.0149 0.44 0.2765 0.6225 1348096 TimTec1_005651 CN(C)c1nc2n(C)c(=O)n(C)c(=O)c2n1CC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A20 compound treatment 0.478 -0.0086 -0.27 0.478 -0.0211 -0.63 -0.6335 -0.9297 1611764 TimTec1_005652 COC(=O)CCn1cc(F)c(N)nc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A21 compound treatment 0.483 -0.0036 -0.11 0.489 -0.0101 -0.3 -0.2918 -0.9114 1564099 TimTec1_005653 CN(C)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A22 compound treatment 0.441 -0.0456 -1.43 0.492 -0.00711 -0.21 -1.1628 -0.8024 1394944 TimTec1_005654 C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A23 mock treatment 0.405 -0.0816 -2.57 0.462 -0.0371 -1.1 -2.5918 -0.9285 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 A24 mock treatment 0.479 -0.0076 -0.24 0.43 -0.0691 -2.05 -1.617 -0.7843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B01 compound treatment 0.521 0.0344 1.08 0.509 0.00989 0.29 0.9721 0.8674 3211532 TimTec1_005655 SC1=NC(=O)/C(=C\c2cccnc2)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B02 compound treatment 0.496 0.0094 0.3 0.504 0.00489 0.14 0.3115 0.9462 1491875 TimTec1_005656 COc1ccc(cc1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B03 compound treatment 0.498 0.0114 0.36 0.494 -0.00511 -0.15 0.1465 0.3764 3085609 TimTec1_005657 Cc1nn(c(O)c1CCC#N)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B04 compound treatment 0.499 0.0124 0.39 0.528 0.0289 0.86 0.8811 0.9366 3211533 TimTec1_005658 FC(F)(F)C(NCC1(CC2CC3CC(C2)C1)C3)(NC(=O)c4ccccc4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B05 compound treatment 0.49 0.0034 0.11 0.497 -0.00211 -0.06 0.0314 0.254 3085612 TimTec1_005659 COc1cc(NC=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B06 compound treatment 0.481 -0.0056 -0.18 0.463 -0.0361 -1.07 -0.8811 -0.8125 3085613 TimTec1_005660 Cc1cc(cc(C)c1O)C(O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B07 compound treatment 0.542 0.0554 1.74 0.541 0.0419 1.24 2.1095 0.9862 3211534 TimTec1_005661 FC(F)(F)c1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B08 compound treatment 0.518 0.0314 0.99 0.518 0.0189 0.56 1.094 0.9639 1339353 TimTec1_005662 CCc1ccc(cc1)C(=O)c2c(c(c3cc(ccn23)C(C)(C)C)S(=O)(=O)CC)S(=O)(=O)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B09 compound treatment 0.494 0.0074 0.23 0.499 -1.07E-4 0.0 0.1623 0.6974 1735427 TimTec1_005663 CC1(C)CC(=O)CC(C)(C)N1OC(=O)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B10 compound treatment 0.493 0.0064 0.2 0.5 8.93E-4 0.03 0.161 0.7932 1503527 TimTec1_005664 CCC(NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B11 compound treatment 0.544 0.0574 1.8 0.511 0.0119 0.35 1.5254 0.8295 1555325 TimTec1_005665 CCOc1ccccc1NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B12 compound treatment 0.503 0.0164 0.52 0.501 0.00189 0.06 0.4043 0.7794 3085617 TimTec1_005666 COc1ccc(/C=N/n2c(=O)c(nn3cnnc23)C(C)(C)C)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B13 compound treatment 0.481 -0.0056 -0.18 0.503 0.00389 0.12 -0.0429 -0.204 1402991 TimTec1_005667 Cc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B14 compound treatment 0.506 0.0194 0.61 0.52 0.0209 0.62 0.8691 1.0 3085619 TimTec1_005668 CC/N=C\1/S/C(=C/c2sccc2C)/C(=O)N1CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B15 compound treatment 0.565 0.0784 2.47 0.569 0.0699 2.07 3.2076 0.9962 1257857 TimTec1_005669 OC1=C(C(C#Cc2ccccc2)C3=C(O)CCCC3=O)C(=O)CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B16 compound treatment 0.488 0.0014 0.04 0.504 0.00489 0.14 0.1336 0.882 1631021 TimTec1_005670 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3c(C)ccc4nsnc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B17 compound treatment 0.491 0.0044 0.14 0.506 0.00689 0.2 0.2423 0.982 1219783 TimTec1_005671 COc1ccc(cc1)N2C(=O)NC(=O)C(Cc3ccc(O)c(OC)c3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B18 compound treatment 0.486 -6.0E-4 -0.02 0.499 -1.07E-4 0.0 -0.0156 -0.8146 3211535 TimTec1_005672 Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2)n[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B19 compound treatment 0.471 -0.0156 -0.49 0.494 -0.00511 -0.15 -0.4539 -0.8841 1033315 TimTec1_005673 Cc1cc(C)n(n1)C(=S)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B20 compound treatment 0.435 -0.0516 -1.62 0.484 -0.0151 -0.45 -1.4638 -0.8697 3085624 TimTec1_005674 CSc1snc(O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B21 compound treatment 0.49 0.0034 0.11 0.466 -0.0331 -0.98 -0.6181 -0.6263 3211536 TimTec1_005675 CCc1ccc(cc1)C2=Nn3c(C)nnc3SC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B22 compound treatment 0.433 -0.0536 -1.69 0.495 -0.00411 -0.12 -1.2778 -0.7562 3085626 TimTec1_005676 O=C(Nc1cccc(c1)c2nnc(o2)c3ccco3)C(c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B23 mock treatment 0.522 0.0354 1.11 0.485 -0.0141 -0.42 0.4915 0.4134 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 B24 mock treatment 0.445 -0.0416 -1.31 0.431 -0.0681 -2.02 -2.352 -0.978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C01 compound treatment 0.497 0.0104 0.33 0.532 0.0329 0.97 0.9204 0.8953 1675170 TimTec1_005677 C(Oc1cccc(c1)c2nnc3ccc4ccccc4n23)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C02 compound treatment 0.513 0.0264 0.83 0.515 0.0159 0.47 0.92 0.9639 1346658 TimTec1_005678 Fc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C03 compound treatment 0.474 -0.0126 -0.4 0.491 -0.00811 -0.24 -0.45 -0.9713 3085628 TimTec1_005679 COC(C)n1cc(Br)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C04 compound treatment 0.492 0.0054 0.17 0.519 0.0199 0.59 0.5369 0.8752 1681244 TimTec1_005680 Cc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C05 compound treatment 0.477 -0.0096 -0.3 0.481 -0.0181 -0.54 -0.5928 -0.963 3085667 TimTec1_005681 Fc1ccc2C(=O)N(N3CCOCC3)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C06 compound treatment 0.497 0.0104 0.33 0.507 0.00789 0.23 0.3966 0.9865 1270347 TimTec1_005682 Cn1c(=N)n(CC(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C07 compound treatment 0.477 -0.0096 -0.3 0.495 -0.00411 -0.12 -0.2995 -0.9202 1454435 TimTec1_005683 CSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C08 compound treatment 0.505 0.0184 0.58 0.513 0.0139 0.41 0.7002 0.9861 1371600 TimTec1_005684 Cc1ccc(cc1)C(=O)Cn2c(=N)n(C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C09 compound treatment 0.507 0.0204 0.64 0.492 -0.00711 -0.21 0.3047 0.4513 1605543 TimTec1_005685 CSC1=NC2(Cc3ccccc13)CCCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C10 compound treatment 0.475 -0.0116 -0.36 0.489 -0.0101 -0.3 -0.4697 -0.9952 1564745 TimTec1_005686 CC(C)(O)C#Cc1ccc(cc1)C(=O)NCC(c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C11 compound treatment 0.504 0.0174 0.55 0.504 0.00489 0.14 0.4894 0.8646 3085653 TimTec1_005687 O=C(Nc1ccccc1)OCC23COC(N3C(OC2)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C12 compound treatment 0.474 -0.0126 -0.4 0.485 -0.0141 -0.42 -0.5757 -0.9996 1696532 TimTec1_005688 O=C1N(C(Nc2ccccc12)c3cccs3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C13 compound treatment 0.482 -0.0046 -0.14 0.518 0.0189 0.56 0.2936 0.5077 3211537 TimTec1_005689 Cc1ccc(/N=C/2\NC(=O)C(Cc3cccc(c3)C(F)(F)F)S2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C14 compound treatment 0.487 4.0E-4 0.01 0.508 0.00889 0.26 0.1952 0.74 1190215 TimTec1_005690 CC(C1Nc2ccccc2C(=O)N1c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C15 compound treatment 0.469 -0.0176 -0.55 0.478 -0.0211 -0.63 -0.8336 -0.9981 1378935 TimTec1_005691 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc3CCCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C16 compound treatment 0.483 -0.0036 -0.11 0.482 -0.0171 -0.51 -0.4385 -0.8442 1327450 TimTec1_005692 CCC(=O)Nc1nonc1c2nc3ccccc3n2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C17 compound treatment 0.49 0.0034 0.11 0.502 0.00289 0.09 0.1362 0.994 3211622 TimTec1_005693 CCC(=O)NC(Nc1sc2CCCCc2c1C#N)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C18 compound treatment 0.472 -0.0146 -0.46 0.491 -0.00811 -0.24 -0.4945 -0.9544 1168333 TimTec1_005694 CC(C)CCN1NC2(CCCCC2)NC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C19 compound treatment 0.454 -0.0326 -1.03 0.478 -0.0211 -0.63 -1.1671 -0.9719 3211623 TimTec1_005695 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)c4ccc(C)c(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C20 compound treatment 0.502 0.0154 0.48 0.479 -0.0201 -0.6 -0.0789 -0.1028 1532646 TimTec1_005696 Cn1nccc1C(=O)NCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C21 compound treatment 0.474 -0.0126 -0.4 0.545 0.0459 1.36 0.6814 0.4811 1534811 TimTec1_005697 COc1c(O)ccc2c(OC)c3ccoc3nc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C22 compound treatment 0.516 0.0294 0.92 0.468 -0.0311 -0.92 0.0019 0.0015 3085660 TimTec1_005698 Cn1c2ccccc2c3nnc(SCc4ccc(F)cc4Cl)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C23 mock treatment 0.474 -0.0126 -0.4 0.475 -0.0241 -0.71 -0.7853 -0.9613 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 C24 mock treatment 0.502 0.0154 0.48 0.574 0.0749 2.22 1.9116 0.8416 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D01 compound treatment 0.498 0.0114 0.36 0.484 -0.0151 -0.45 -0.0631 -0.11 3211624 TimTec1_005699 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3ccc(OC(F)(F)F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D02 compound treatment 0.439 -0.0476 -1.5 0.414 -0.0851 -2.52 -2.8416 -0.969 3085662 TimTec1_005700 C(Sc1ncn[nH]1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D03 compound treatment 0.501 0.0144 0.45 0.513 0.0139 0.41 0.6113 0.9989 3211625 TimTec1_005701 Cc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)c(C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D04 compound treatment 0.463 -0.0236 -0.74 0.466 -0.0331 -0.98 -1.2184 -0.9905 3085663 TimTec1_005702 FC(F)(F)C(NCCc1c[nH]c2ccccc12)(NC(=O)c3ccccc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D05 compound treatment 0.519 0.0324 1.02 0.515 0.0159 0.47 1.0534 0.9385 3211626 TimTec1_005703 CCC1(C)OC(=Nc2ccccc21)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D06 compound treatment 0.541 0.0544 1.71 0.532 0.0329 0.97 1.8987 0.9644 1384761 TimTec1_005704 Oc1ccc(NC2=C(C(=O)c3ccccc3C2=O)n4nnc5ccccc45)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D07 compound treatment 0.513 0.0264 0.83 0.525 0.0259 0.77 1.1295 0.9992 1725838 TimTec1_005705 CSc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ccc5ccccc5c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D08 compound treatment 0.53 0.0434 1.36 0.534 0.0349 1.03 1.6961 0.9906 1630880 TimTec1_005706 Cn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D09 compound treatment 0.459 -0.0276 -0.87 0.49 -0.00911 -0.27 -0.8045 -0.8852 1339859 TimTec1_005707 COc1cc2ccccc2cc1C(=O)NCCC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D10 compound treatment 0.465 -0.0216 -0.68 0.475 -0.0241 -0.71 -0.9854 -0.9997 1488964 TimTec1_005708 CC(C)(C)c1ccc(cc1)C23OC(=O)C(C)(C)C3OC(=O)C2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D11 compound treatment 0.469 -0.0176 -0.55 0.485 -0.0141 -0.42 -0.6869 -0.9904 1458934 TimTec1_005709 C1CN(CCN1)C2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D12 compound treatment 0.5 0.0134 0.42 0.525 0.0259 0.77 0.8405 0.9602 3211627 TimTec1_005710 O=C/1NC(=S)N\C1=C\c2cc3ccccc3nc2N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D13 compound treatment 0.485 -0.0016 -0.05 0.475 -0.0241 -0.71 -0.5407 -0.755 1617853 TimTec1_005711 Cc1cccc(C)c1NC(=O)C2(CCCC2)N(Cc3ccccc3)C(=O)c4ccc(cc4)n5cnnn5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D14 compound treatment 0.471 -0.0156 -0.49 0.467 -0.0321 -0.95 -1.0196 -0.9525 1422235 TimTec1_005712 Brc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D15 compound treatment 0.481 -0.0056 -0.18 0.47 -0.0291 -0.86 -0.7344 -0.8343 3211628 TimTec1_005713 CCN(CC)c1ccc(cc1)C2(NN(C(=C2C#N)N)c3ccccc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D16 compound treatment 0.555 0.0684 2.15 0.538 0.0389 1.15 2.3357 0.9572 3085673 TimTec1_005714 C/C(=N\c1ccccc1)/C2=C(O)C=C(CC2c3ccco3)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D17 compound treatment 0.464 -0.0226 -0.71 0.491 -0.00811 -0.24 -0.6724 -0.8963 3211629 TimTec1_005715 Fc1ccc(CCN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)/C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D18 compound treatment 0.483 -0.0036 -0.11 0.5 8.93E-4 0.03 -0.0613 -0.5276 1524909 TimTec1_005716 COc1ccccc1c2nnc(o2)c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D19 compound treatment 0.515 0.0284 0.89 0.518 0.0189 0.56 1.0273 0.9747 3211630 TimTec1_005717 COc1cccc(c1)c2cc(nc(SC3CC(=O)C4OCC3O4)n2)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D20 compound treatment 0.502 0.0154 0.48 0.498 -0.00111 -0.03 0.3192 0.6577 3085676 TimTec1_005718 FC(F)(F)c1cccc(c1)N2C(=O)CC(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D21 compound treatment 0.456 -0.0306 -0.96 0.471 -0.0281 -0.83 -1.2693 -0.9974 3211631 TimTec1_005719 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)S(=O)(=O)N)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D22 compound treatment 0.475 -0.0116 -0.36 0.488 -0.0111 -0.33 -0.4906 -0.9987 3085679 TimTec1_005720 Cc1cccc2nc(=S)n(C(=O)c3ccc(F)cc3)n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D23 mock treatment 0.46 -0.0266 -0.84 0.461 -0.0381 -1.13 -1.3899 -0.9891 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 D24 mock treatment 0.485 -0.0016 -0.05 0.506 0.00689 0.2 0.1088 0.5175 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E01 compound treatment 0.507 0.0204 0.64 0.507 0.00789 0.23 0.6189 0.9065 3211632 TimTec1_005721 Cc1cc(F)c(F)c(C(=O)n2ccnc2)c1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E02 compound treatment 0.48 -0.0066 -0.21 0.507 0.00789 0.23 0.0186 0.0596 1584802 TimTec1_005722 O=C(CSc1ccccc1)Nc2c(oc3ccccc23)C(=O)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E03 compound treatment 0.521 0.0344 1.08 0.52 0.0209 0.62 1.2026 0.9649 3211633 TimTec1_005723 COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E04 compound treatment 0.506 0.0194 0.61 0.527 0.0279 0.83 1.0158 0.9888 3211634 TimTec1_005724 CC(C)COC(=O)C1=C(C)Nc2cc(ccc2S1)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E05 compound treatment 0.513 0.0264 0.83 0.501 0.00189 0.06 0.6266 0.7532 3085682 TimTec1_005725 Fc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E06 compound treatment 0.56 0.0734 2.31 0.579 0.0799 2.37 3.3059 0.9999 3211635 TimTec1_005726 CN(C)c1ccc(/C=C\2/Oc3c(ccc(O)c3O)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E07 compound treatment 0.466 -0.0206 -0.65 0.437 -0.0621 -1.84 -1.7593 -0.9018 3211636 TimTec1_005727 CCn/1c(cs\c1=N\c2cc(OC)c(Cl)cc2OC)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E08 compound treatment 0.518 0.0314 0.99 0.556 0.0569 1.69 1.8902 0.9675 1668810 TimTec1_005728 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(Cc4ccccc4)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E09 compound treatment 0.486 -6.0E-4 -0.02 0.481 -0.0181 -0.54 -0.3927 -0.7315 1468867 TimTec1_005729 NS(=O)(=O)c1ccc(N=NN2CCCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E10 compound treatment 0.485 -0.0016 -0.05 0.481 -0.0181 -0.54 -0.415 -0.77 1221615 TimTec1_005730 CCc1ccc2cc(cn2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E11 compound treatment 0.489 0.0024 0.08 0.493 -0.00611 -0.18 -0.0746 -0.3805 3211637 TimTec1_005731 CC1SC(N(C1=O)c2ccccc2)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E12 compound treatment 0.491 0.0044 0.14 0.485 -0.0141 -0.42 -0.1978 -0.4491 1203111 TimTec1_005732 Cc1cc(C(=O)O)c(C#N)c(N)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E13 compound treatment 0.49 0.0034 0.11 0.533 0.0339 1.0 0.7857 0.778 3211638 TimTec1_005733 NC(=NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E14 compound treatment 0.483 -0.0036 -0.11 0.478 -0.0211 -0.63 -0.5223 -0.8217 3085709 TimTec1_005734 Cc1nc2ccccc2c(=O)n1c3ccc4OC(F)(F)Oc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E15 compound treatment 0.494 0.0074 0.23 0.496 -0.00311 -0.09 0.0994 0.3973 3085711 TimTec1_005735 C/C(=C/C(=O)C1CC1)/C2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E16 compound treatment 0.493 0.0064 0.2 0.494 -0.00511 -0.15 0.0353 0.1402 1198283 TimTec1_005736 CC(C(=O)Nc1ccc2OCCOc2c1)n3nnc(n3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E17 compound treatment 0.494 0.0074 0.23 0.501 0.00189 0.06 0.2042 0.8531 1200453 TimTec1_005737 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E18 compound treatment 0.476 -0.0106 -0.33 0.483 -0.0161 -0.48 -0.5732 -0.9846 1488913 TimTec1_005738 CCCc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E19 compound treatment 0.466 -0.0206 -0.65 0.48 -0.0191 -0.57 -0.8584 -0.9978 1378082 TimTec1_005739 CCOC(=O)C1(CCN(CC1)C(=O)c2ccccc2O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E20 compound treatment 0.465 -0.0216 -0.68 0.477 -0.0221 -0.66 -0.9435 -0.9998 1283200 TimTec1_005740 CC(C)N1C2OC(OC2N(C(C)C)S1(=O)=O)C3OC4C(O3)N(C(C)C)S(=O)(=O)N4C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E21 compound treatment 0.471 -0.0156 -0.49 0.482 -0.0171 -0.51 -0.7053 -0.9999 1315806 TimTec1_005741 CC(=O)Oc1ccc(C)cc1n2nc3ccccc3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E22 compound treatment 0.465 -0.0216 -0.68 0.475 -0.0241 -0.71 -0.9854 -0.9997 3085715 TimTec1_005742 COc1ccccc1N/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E23 mock treatment 0.462 -0.0246 -0.77 0.471 -0.0281 -0.83 -1.1359 -0.9993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 E24 mock treatment 0.479 -0.0076 -0.24 0.501 0.00189 0.06 -0.1293 -0.5268 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F01 compound treatment 0.503 0.0164 0.52 0.493 -0.00611 -0.18 0.2367 0.4331 1415787 TimTec1_005743 O=C(Cn1nnc(n1)c2ccc3OCOc3c2)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F02 compound treatment 0.493 0.0064 0.2 0.517 0.0179 0.53 0.5172 0.912 1291024 TimTec1_005744 Cc1[nH]c2ccccc2c1CCNC(=O)c3cc4cc(Br)ccc4oc3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F03 compound treatment 0.469 -0.0176 -0.55 0.467 -0.0321 -0.95 -1.064 -0.9668 3085718 TimTec1_005745 FC(F)(F)c1nnc(S)n1/N=C/c2ccc(Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F04 compound treatment 0.491 0.0044 0.14 0.49 -0.00911 -0.27 -0.093 -0.3066 1647381 TimTec1_005746 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NCc3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F05 compound treatment 0.489 0.0024 0.08 0.494 -0.00511 -0.15 -0.0536 -0.3172 1416263 TimTec1_005747 Cc1c(NC(=O)C2CCCC2)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F06 compound treatment 0.488 0.0014 0.04 0.497 -0.00211 -0.06 -0.013 -0.1705 3211747 TimTec1_005748 Cc1cc(S)c2n(Cc3ccc(Cl)cc3Cl)nc[n+]2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F07 compound treatment 0.492 0.0054 0.17 0.484 -0.0151 -0.45 -0.1965 -0.4104 1581088 TimTec1_005749 Fc1cccc(Cl)c1C2N3CCCCN23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F08 compound treatment 0.509 0.0224 0.7 0.523 0.0239 0.71 0.9987 1.0 1406168 TimTec1_005750 COC(=O)c1ccc(CSc2nnc3c4ccccc4n(C)c3n2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F09 compound treatment 0.488 0.0014 0.04 0.496 -0.00311 -0.09 -0.034 -0.3329 3211748 TimTec1_005751 Cc1cc(C)c(c(C)c1)n2nnnc2SCC(=O)Nc3nn(nc3C(=O)N)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F10 compound treatment 0.54 0.0534 1.68 0.482 -0.0171 -0.51 0.8288 0.4726 3087784 TimTec1_005752 CC1(NC(C2C1C(=O)N(C2=O)c3ccccc3)c4cc(Br)ccc4O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F11 compound treatment 0.476 -0.0106 -0.33 0.476 -0.0231 -0.68 -0.7198 -0.9453 3211749 TimTec1_005753 N#CCC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F12 compound treatment 0.493 0.0064 0.2 0.489 -0.0101 -0.3 -0.0695 -0.1925 1605647 TimTec1_005754 COc1ccc(cc1OC)C2C(Oc3ccc(Cl)cc3C)C(=O)N2c4ccc(C)c(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F13 compound treatment 0.493 0.0064 0.2 0.484 -0.0151 -0.45 -0.1742 -0.355 3087785 TimTec1_005755 C[S+](C)c1c(O)n(c2ccccc2F)c(=O)[nH]c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F14 compound treatment 0.487 4.0E-4 0.01 0.487 -0.0121 -0.36 -0.2448 -0.6819 1201797 TimTec1_005756 Fc1cc(Cl)c(cc1F)C(=O)NC2C3CC4CC(C3)CC2C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F15 compound treatment 0.482 -0.0046 -0.14 0.48 -0.0191 -0.57 -0.5026 -0.8601 1326307 TimTec1_005757 CC(Sc1nc(N)cc(N)n1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F16 compound treatment 0.526 0.0394 1.24 0.536 0.0369 1.09 1.649 0.9981 1664927 TimTec1_005758 C=CCn1c2ccccc2c3nnc(SCc4ccc5nonc5c4)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F17 compound treatment 0.478 -0.0086 -0.27 0.493 -0.00611 -0.18 -0.3192 -0.9809 3087786 TimTec1_005759 CC(Nc1nc(F)cc(=O)[nH]1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F18 compound treatment 0.502 0.0154 0.48 0.497 -0.00211 -0.06 0.2983 0.6109 3211750 TimTec1_005760 CCOC(=O)/C=C/1\NC(C)(C)Cc2cc(OC)c(O)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F19 compound treatment 0.479 -0.0076 -0.24 0.481 -0.0181 -0.54 -0.5484 -0.9336 3211751 TimTec1_005761 O=C(CSc1nnnn1c2ccccc2)NCCC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F20 compound treatment 0.528 0.0414 1.3 0.485 -0.0141 -0.42 0.6249 0.4571 3087787 TimTec1_005762 CC1SC2(CCCCC2)N(C1=O)c3cc(C)cc(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F21 compound treatment 0.458 -0.0286 -0.9 0.478 -0.0211 -0.63 -1.0781 -0.9843 3211752 TimTec1_005763 CC(=O)NC(NCCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F22 compound treatment 0.499 0.0124 0.39 0.498 -0.00111 -0.03 0.2525 0.6453 1523330 TimTec1_005764 O=C(Oc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccs3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F23 mock treatment 0.475 -0.0116 -0.36 0.485 -0.0141 -0.42 -0.5535 -0.9977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 F24 mock treatment 0.497 0.0104 0.33 0.505 0.00589 0.17 0.3547 0.9568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G01 compound treatment 0.524 0.0374 1.18 0.524 0.0249 0.74 1.3531 0.9748 3087788 TimTec1_005765 Fc1ccccc1c2nnc3ccc(cn23)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G02 compound treatment 0.474 -0.0126 -0.4 0.498 -0.00111 -0.03 -0.3033 -0.763 3211753 TimTec1_005766 CN1C(=O)N(C)C2(N=C3SCC(=O)N3NC12c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G03 compound treatment 0.488 0.0014 0.04 0.486 -0.0131 -0.39 -0.2435 -0.623 1444799 TimTec1_005767 OC1=C(C(N(C1=O)c2cccnc2)c3ccccc3)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G04 compound treatment 0.473 -0.0136 -0.43 0.492 -0.00711 -0.21 -0.4513 -0.9468 1457617 TimTec1_005768 O=C(N1N=CCC1c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G05 compound treatment 0.482 -0.0046 -0.14 0.478 -0.0211 -0.63 -0.5445 -0.8482 1406350 TimTec1_005769 Clc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)N4CCc5ccccc45)sc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G06 compound treatment 0.479 -0.0076 -0.24 0.485 -0.0141 -0.42 -0.4646 -0.9648 1302719 TimTec1_005770 COC(=O)c1ccccc1NCNc2ccccc2C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G07 compound treatment 0.485 -0.0016 -0.05 0.483 -0.0161 -0.48 -0.3731 -0.7773 1261268 TimTec1_005771 CCCC(=C1C(=O)NC(=O)NC1=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G08 compound treatment 0.509 0.0224 0.7 0.508 0.00889 0.26 0.6844 0.91 1028239 TimTec1_005772 S=c1sscc1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G09 compound treatment 0.484 -0.0026 -0.08 0.483 -0.0161 -0.48 -0.3953 -0.8163 3211754 TimTec1_005773 CCOC(=O)Cc1nc(C)cs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G10 compound treatment 0.506 0.0194 0.61 0.485 -0.0141 -0.42 0.1358 0.1836 1366551 TimTec1_005774 CCC1C(OC(=O)C(C)(C)C1=O)c2cccc(Br)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G11 compound treatment 0.496 0.0094 0.3 0.498 -0.00111 -0.03 0.1858 0.6248 3087789 TimTec1_005775 CC(=O)OC(C)(C)C#CCN1CCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G12 compound treatment 0.522 0.0354 1.11 0.526 0.0269 0.8 1.3506 0.9866 3211755 TimTec1_005776 O=C/1Nc2ccccc2\C1=C/3\NC(=S)N(C3=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G13 compound treatment 0.51 0.0234 0.74 0.51 0.0109 0.32 0.7485 0.9316 3087790 TimTec1_005777 CCOC1=NOC2C3CCC(C3)C21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G14 compound treatment 0.489 0.0024 0.08 0.483 -0.0161 -0.48 -0.2841 -0.588 3211756 TimTec1_005778 COc1ccc(cc1)C2OCC(C)(CO2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G15 compound treatment 0.502 0.0154 0.48 0.489 -0.0101 -0.3 0.1306 0.2294 3087791 TimTec1_005779 Nc1ccc(OC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G16 compound treatment 0.485 -0.0016 -0.05 0.488 -0.0111 -0.33 -0.2683 -0.8058 1233416 TimTec1_005780 C(Sc1nnnn1c2ccc3OCOc3c2)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G17 compound treatment 0.488 0.0014 0.04 0.487 -0.0121 -0.36 -0.2225 -0.6157 1922264 TimTec1_005781 CC1(C)COC(O)(CC1=O)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G18 compound treatment 0.502 0.0154 0.48 0.502 0.00289 0.09 0.403 0.8195 1589793 TimTec1_005782 CCc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G19 compound treatment 0.494 0.0074 0.23 0.492 -0.00711 -0.21 0.0156 0.0498 3087792 TimTec1_005783 CSC1=NC2C(N1)N(C)C(=O)N2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G20 compound treatment 0.501 0.0144 0.45 0.515 0.0159 0.47 0.6532 0.9998 1362774 TimTec1_005784 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(O2)c4cccnc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G21 compound treatment 0.46 -0.0266 -0.84 0.477 -0.0221 -0.66 -1.0546 -0.9927 3087793 TimTec1_005785 O=C(Oc1ccc(cc1)c2cnc3ccccc3n2)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G22 compound treatment 0.46 -0.0266 -0.84 0.481 -0.0181 -0.54 -0.9708 -0.977 1511555 TimTec1_005786 Clc1ccc2oc(=O)n(C(=O)NC3CCCCC3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G23 mock treatment 0.475 -0.0116 -0.36 0.477 -0.0221 -0.66 -0.7211 -0.9618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 G24 mock treatment 0.481 -0.0056 -0.18 0.485 -0.0141 -0.42 -0.4201 -0.9262 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H01 compound treatment 0.502 0.0154 0.48 0.499 -1.07E-4 0.0 0.3402 0.7025 1788039 TimTec1_005787 Fc1ccccc1c2nnn(CC(=O)N3CCCCC3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H02 compound treatment 0.485 -0.0016 -0.05 0.499 -1.07E-4 0.0 -0.0378 -0.7502 1578958 TimTec1_005788 COc1ccc(Cl)cc1S(=O)(=O)N2CCN(CC2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H03 compound treatment 0.475 -0.0116 -0.36 0.481 -0.0181 -0.54 -0.6373 -0.9823 3087794 TimTec1_005789 COc1cc2CC(C)(C)N=C(NC(C)C(=O)O)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H04 compound treatment 0.48 -0.0066 -0.21 0.489 -0.0101 -0.3 -0.3585 -0.9839 3087795 TimTec1_005790 NCCN1C(=O)S/C(=C/c2cccs2)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H05 compound treatment 0.492 0.0054 0.17 0.501 0.00189 0.06 0.1597 0.8932 1701075 TimTec1_005791 CCn1c(=N)n(CC(=O)c2cccs2)c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H06 compound treatment 0.487 4.0E-4 0.01 0.482 -0.0171 -0.51 -0.3495 -0.6894 1332043 TimTec1_005792 COC(=O)NC1CSCC1OC(=O)CCCN2C(=O)c3ccccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H07 compound treatment 0.483 -0.0036 -0.11 0.481 -0.0181 -0.54 -0.4594 -0.8378 3087798 TimTec1_005793 COc1nsc(SC)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H08 compound treatment 0.532 0.0454 1.43 0.512 0.0129 0.38 1.2796 0.8659 1015156 TimTec1_005794 COc1ccc(Cl)cc1NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H09 compound treatment 0.476 -0.0106 -0.33 0.545 0.0459 1.36 0.7259 0.5185 1397048 TimTec1_005795 COc1cc2ccccc2cc1C(=O)NC(C)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H10 compound treatment 0.527 0.0404 1.27 0.517 0.0179 0.53 1.2732 0.9249 3087801 TimTec1_005796 CC1(C)CC(=O)C2=C(C1)N(C(=C(C#N)C2c3ccsc3)N)c4c(F)cccc4F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H11 compound treatment 0.495 0.0084 0.26 0.5 8.93E-4 0.03 0.2055 0.7741 1338227 TimTec1_005797 COc1ccc(NC(=O)c2cnn(c2NC(=O)c3ccccc3F)c4ccccc4)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H12 compound treatment 0.507 0.0204 0.64 0.502 0.00289 0.09 0.5142 0.7945 1493728 TimTec1_005798 C1Oc2ccc(cc2O1)c3cc4ccccn4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H13 compound treatment 0.519 0.0324 1.02 0.524 0.0249 0.74 1.242 0.9874 1440128 TimTec1_005799 COc1cc(NC(=O)NC2(CC2)c3ccccc3)c(OC)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H14 compound treatment 0.501 0.0144 0.45 0.516 0.0169 0.5 0.6741 0.9987 1272978 TimTec1_005800 Cc1cc(NS(=O)(=O)c2ccccc2)cc(c1O)S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H15 compound treatment 0.532 0.0454 1.43 0.515 0.0159 0.47 1.3424 0.893 3211757 TimTec1_005801 Cc1cc(Cl)nc(NN)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H16 compound treatment 0.5 0.0134 0.42 0.508 0.00889 0.26 0.4843 0.9745 1520603 TimTec1_005802 Cn1c2ccc(Br)cc2c3nnc(SCc4ccc5nonc5c4)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H17 compound treatment 0.478 -0.0086 -0.27 0.497 -0.00211 -0.06 -0.2354 -0.8481 1486800 TimTec1_005803 CN(C)CP(=O)(O)CCn1c2ccccc2c3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H18 compound treatment 0.478 -0.0086 -0.27 0.484 -0.0151 -0.45 -0.5077 -0.9709 1194716 TimTec1_005804 OC(=O)C1Sc2c(sc(=O)n2Cc3ccccc3)C4C1C(=O)Oc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H19 compound treatment 0.479 -0.0076 -0.24 0.478 -0.0211 -0.63 -0.6112 -0.9129 1203354 TimTec1_005805 Nc1nnc(CCCn2c(=O)oc3ccccc23)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H20 compound treatment 0.522 0.0354 1.11 0.577 0.0779 2.31 2.4191 0.9441 3087859 TimTec1_005806 CC/N=C\1/S/C(=C/c2ccc(o2)c3ccc(F)cc3)/C(=O)N1CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H21 compound treatment 0.458 -0.0286 -0.9 0.479 -0.0201 -0.6 -1.0572 -0.98 1544104 TimTec1_005807 CN(C)c1ccc(cc1)C2OC(=O)C(C)(C)C(=O)C2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H22 compound treatment 0.495 0.0084 0.26 0.502 0.00289 0.09 0.2474 0.8909 3211853 TimTec1_005808 CCCn1c2ccccc2c3nnc(SCC(=O)NCc4ccc5OCOc5c4)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H23 mock treatment 0.463 -0.0236 -0.74 0.487 -0.0121 -0.36 -0.7784 -0.9444 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 H24 mock treatment 0.493 0.0064 0.2 0.503 0.00389 0.12 0.2239 0.9651 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I01 compound treatment 0.505 0.0184 0.58 0.497 -0.00211 -0.06 0.365 0.6272 1315061 TimTec1_005809 CCOC1(C)N(Nc2ccccc2C(=O)CC)c3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I02 compound treatment 0.495 0.0084 0.26 0.491 -0.00811 -0.24 0.0169 0.0473 1011005 TimTec1_005810 OC(=O)CSc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I03 compound treatment 0.481 -0.0056 -0.18 0.489 -0.0101 -0.3 -0.3363 -0.9679 3211854 TimTec1_005811 CC1(C)OC(=O)N(Nc2ccccc2)C1(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I04 compound treatment 0.482 -0.0046 -0.14 0.496 -0.00311 -0.09 -0.1674 -0.9762 3087863 TimTec1_005812 Cc1c(Cl)cccc1NN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I05 compound treatment 0.486 -6.0E-4 -0.02 0.484 -0.0151 -0.45 -0.3299 -0.7363 1462704 TimTec1_005813 CC(C)(C)NC(=O)CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I06 compound treatment 0.466 -0.0206 -0.65 0.488 -0.0111 -0.33 -0.6907 -0.9507 1663326 TimTec1_005814 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc3ccccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I07 compound treatment 0.514 0.0274 0.86 0.504 0.00489 0.14 0.7117 0.8146 3211855 TimTec1_005815 C1C/C(=C\c2nc3ccccc3[nH]2)/C(=C1)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I08 compound treatment 0.494 0.0074 0.23 0.507 0.00789 0.23 0.3299 1.0 1375813 TimTec1_005816 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)C(=O)C(=C2C(=O)c4ccc(Cl)cc4)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I09 compound treatment 0.49 0.0034 0.11 0.548 0.0489 1.45 1.1 0.7572 3087867 TimTec1_005817 COC(=O)c1c(CSC(=N)N)nc2n(Cc3ccccc3)c4ccccc4n12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I10 compound treatment 0.507 0.0204 0.64 0.485 -0.0141 -0.42 0.158 0.2064 3211856 TimTec1_005818 CC1=C(OC(=O)c2ccccc2)C(C)(C)C(OC1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I11 compound treatment 0.492 0.0054 0.17 0.494 -0.00511 -0.15 0.0131 0.0574 3087868 TimTec1_005819 COC(=O)c1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I12 compound treatment 0.491 0.0044 0.14 0.514 0.0149 0.44 0.4099 0.8863 3211857 TimTec1_005820 COc1ccc(/C=N/c2nnc(c3ccccc3)c(n2)c4ccccc4)c(C(=O)O)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I13 compound treatment 0.502 0.0154 0.48 0.557 0.0579 1.72 1.5554 0.8726 3087871 TimTec1_005821 CC1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)/c5ccccc25)CC(C)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I14 compound treatment 0.436 -0.0506 -1.59 0.49 -0.00911 -0.27 -1.3159 -0.8154 1190190 TimTec1_005822 CC(=O)OC1c2ccccc2NC(c3ccccc3)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I15 compound treatment 0.476 -0.0106 -0.33 0.506 0.00689 0.2 -0.0913 -0.2334 1442650 TimTec1_005823 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I16 compound treatment 0.484 -0.0026 -0.08 0.479 -0.0201 -0.6 -0.4791 -0.7967 3087873 TimTec1_005824 SC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I17 compound treatment 0.475 -0.0116 -0.36 0.493 -0.00611 -0.18 -0.3859 -0.9477 1201213 TimTec1_005825 OC(=O)c1ccc(N=NN2CCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I18 compound treatment 0.426 -0.0606 -1.91 0.44 -0.0591 -1.75 -2.5858 -0.9991 3211858 TimTec1_005826 CSc1ccc(cc1)S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I19 compound treatment 0.45 -0.0366 -1.15 0.46 -0.0391 -1.16 -1.6332 -1.0 1656330 TimTec1_005827 CC(C)(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)NS(=O)(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I20 compound treatment 0.501 0.0144 0.45 0.508 0.00889 0.26 0.5065 0.9668 1594685 TimTec1_005828 CC1C(C#N)(C#N)C2(C#N)C(OC1(C)OC2=N)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I21 compound treatment 0.48 -0.0066 -0.21 0.493 -0.00611 -0.18 -0.2747 -0.9977 3211859 TimTec1_005829 O=C/1N(CN2CCN(CC2)c3ccccc3)c4ccccc4\C1=N\c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I22 compound treatment 0.55 0.0634 1.99 0.579 0.0799 2.37 3.0836 0.9963 1426903 TimTec1_005830 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I23 mock treatment 0.46 -0.0266 -0.84 0.487 -0.0121 -0.36 -0.8451 -0.9286 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 I24 mock treatment 0.486 -6.0E-4 -0.02 0.504 0.00489 0.14 0.0892 0.61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J01 compound treatment 0.51 0.0234 0.74 0.515 0.0159 0.47 0.8533 0.9768 1380440 TimTec1_005831 CC(C)(CO)NC1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J02 compound treatment 0.516 0.0294 0.92 0.522 0.0229 0.68 1.1333 0.9884 1328534 TimTec1_005832 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J03 compound treatment 0.477 -0.0096 -0.3 0.486 -0.0131 -0.39 -0.4881 -0.9922 3211860 TimTec1_005833 FC(F)(F)C1=CC(=NCCN1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J04 compound treatment 0.487 4.0E-4 0.01 0.517 0.0179 0.53 0.3838 0.7237 1159735 TimTec1_005834 CN(C)P1(=O)Nc2ccccc2S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J05 compound treatment 0.474 -0.0126 -0.4 0.481 -0.0181 -0.54 -0.6595 -0.9889 1421447 TimTec1_005835 CC(C)(O)C1(C)NCCc2ccccc21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J06 compound treatment 0.523 0.0364 1.14 0.54 0.0409 1.21 1.6661 0.9996 1178221 TimTec1_005836 CC1CC2(CC(C)(C)C1)NN(C(=S)N2)c3ccc(C)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J07 compound treatment 0.487 4.0E-4 0.01 0.488 -0.0111 -0.33 -0.2238 -0.6796 1709992 TimTec1_005837 CC1(C)CC(CC(C)(C)N1)NCc2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J08 compound treatment 0.487 4.0E-4 0.01 0.498 -0.00111 -0.03 -0.0143 -0.4071 1603180 TimTec1_005838 O=C(NC1CCCCC1)C2CC(=O)OC32CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J09 compound treatment 0.589 0.102 3.22 0.529 0.0299 0.89 2.9031 0.8693 1526847 TimTec1_005839 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccccc5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J10 compound treatment 0.509 0.0224 0.7 0.472 -0.0271 -0.8 -0.0699 -0.0655 3211861 TimTec1_005840 CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J11 compound treatment 0.512 0.0254 0.8 0.497 -0.00211 -0.06 0.5206 0.6498 1564041 TimTec1_005841 CCN(C(=O)Cn1nnc(n1)c2ccc3OCOc3c2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J12 compound treatment 0.496 0.0094 0.3 0.502 0.00289 0.09 0.2696 0.8761 3087925 TimTec1_005842 FC(F)(F)c1nnc2SCC(=Nn12)c3ccc(Cl)cc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J13 compound treatment 0.484 -0.0026 -0.08 0.48 -0.0191 -0.57 -0.4582 -0.8009 3211862 TimTec1_005843 CCN1C(=O)C2NN=C(C2C1=O)C(=O)c3nc(Cl)ccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J14 compound treatment 0.489 0.0024 0.08 0.507 0.00789 0.23 0.2187 0.8901 1209557 TimTec1_005844 COc1ccc(cc1)C(=O)Nc2cc(C)c(O)c(c2C)S(=O)(=O)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J15 compound treatment 0.499 0.0124 0.39 0.508 0.00889 0.26 0.462 0.9818 3211863 TimTec1_005845 Sc1nc(SCCOc2ccccc2)nc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J16 compound treatment 0.5 0.0134 0.42 0.521 0.0219 0.65 0.7566 0.9782 3087928 TimTec1_005846 CC(C)(C)C(=O)/C=C/1\NCCN\C1=C/C(=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J17 compound treatment 0.488 0.0014 0.04 0.501 0.00189 0.06 0.0708 0.9928 1272266 TimTec1_005847 OC(=O)C(Cc1ccco1)P(=O)(O)CN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J18 compound treatment 0.486 -6.0E-4 -0.02 0.506 0.00689 0.2 0.1311 0.6391 1688384 TimTec1_005848 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J19 compound treatment 0.498 0.0114 0.36 0.506 0.00689 0.2 0.3979 0.9644 1696945 TimTec1_005849 COc1cccc(c1)C(=O)Nc2cccc(C)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J20 compound treatment 0.508 0.0214 0.67 0.521 0.0219 0.65 0.9345 0.9998 3087931 TimTec1_005850 Cc1cccn2cc(cc12)c3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J21 compound treatment 0.474 -0.0126 -0.4 0.493 -0.00611 -0.18 -0.4081 -0.937 1142933 TimTec1_005851 Cc1ccc(cc1)C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J22 compound treatment 0.503 0.0164 0.52 0.527 0.0279 0.83 0.9491 0.9742 3211864 TimTec1_005852 COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34)c(=O)oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J23 mock treatment 0.478 -0.0086 -0.27 0.497 -0.00211 -0.06 -0.2354 -0.8481 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 J24 mock treatment 0.514 0.0274 0.86 0.508 0.00889 0.26 0.7955 0.883 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K01 compound treatment 0.543 0.0564 1.77 0.581 0.0819 2.43 2.9699 0.9881 1683560 TimTec1_005853 CCn1c(nc2ccccc12)C(O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K02 compound treatment 0.507 0.0204 0.64 0.522 0.0229 0.68 0.9332 0.9996 3088026 TimTec1_005854 O=C1CSC2=NCN(CN12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K03 compound treatment 0.492 0.0054 0.17 0.512 0.0129 0.38 0.3902 0.9333 3087964 TimTec1_005855 CCOC(=O)C1=C(C)NC(=NC1c2ccc(OC(=O)C)c(OC)c2)SC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K04 compound treatment 0.486 -6.0E-4 -0.02 0.502 0.00289 0.09 0.0473 0.5386 3087966 TimTec1_005856 CC(=O)NCCOc1cccc2cccnc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K05 compound treatment 0.485 -0.0016 -0.05 0.497 -0.00211 -0.06 -0.0797 -0.9943 1264565 TimTec1_005857 Cn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K06 compound treatment 0.492 0.0054 0.17 0.507 0.00789 0.23 0.2854 0.9876 3211865 TimTec1_005858 Clc1ccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K07 compound treatment 0.477 -0.0096 -0.3 0.484 -0.0151 -0.45 -0.53 -0.9816 1638757 TimTec1_005859 CCN(CC)P1(=O)COc2ccccc2OC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K08 compound treatment 0.484 -0.0026 -0.08 0.474 -0.0251 -0.74 -0.5839 -0.7801 3211945 TimTec1_005860 CCC1CCC2(CC1)SCC(=O)N2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K09 compound treatment 0.504 0.0174 0.55 0.486 -0.0131 -0.39 0.1122 0.1673 1385466 TimTec1_005861 COc1ccc(cc1)N(C)C(=O)C2COc3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K10 compound treatment 0.5 0.0134 0.42 0.486 -0.0131 -0.39 0.0233 0.0407 1301245 TimTec1_005862 Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K11 compound treatment 0.528 0.0414 1.3 0.511 0.0119 0.35 1.1697 0.8673 3087971 TimTec1_005863 CN(C)/C=N\c1ccc2nonc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K12 compound treatment 0.504 0.0174 0.55 0.522 0.0229 0.68 0.8665 0.9943 1432844 TimTec1_005864 CCOC(=O)c1c(CN2CCCC2)n(C)c3cc(Br)c(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K13 compound treatment 0.523 0.0364 1.14 0.526 0.0269 0.8 1.3728 0.9843 3211946 TimTec1_005865 CSC1=NC2(CC(Oc3cc(O)ccc32)c4ccccc4)CC(C)(C)N1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K14 compound treatment 0.503 0.0164 0.52 0.499 -1.07E-4 0.0 0.3624 0.7027 3087973 TimTec1_005866 CC(=O)N1C(=O)/C(=C\c2cccnc2)/NC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K15 compound treatment 0.493 0.0064 0.2 0.499 -1.07E-4 0.0 0.1401 0.6959 1685221 TimTec1_005867 CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc3CC(C)CCc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K16 compound treatment 0.525 0.0384 1.21 0.56 0.0609 1.8 2.1297 0.9809 3087975 TimTec1_005868 Oc1ccccc1c2cc(nn2Cc3ccc(Cl)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K17 compound treatment 0.483 -0.0036 -0.11 0.492 -0.00711 -0.21 -0.229 -0.9576 1551420 TimTec1_005869 COC(=O)c1ccc(N=NN2CCCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K18 compound treatment 0.489 0.0024 0.08 0.494 -0.00511 -0.15 -0.0536 -0.3172 1545682 TimTec1_005870 COc1ccc(cc1)C2CC(=O)Oc3ccc(cc23)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K19 compound treatment 0.476 -0.0106 -0.33 0.493 -0.00611 -0.18 -0.3636 -0.9588 1253632 TimTec1_005871 O=C(N(Cc1ccccc1)c2ccccn2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K20 compound treatment 0.492 0.0054 0.17 0.505 0.00589 0.17 0.2435 0.9999 3211947 TimTec1_005872 COc1nc(OC)nc(n1)n2cnc(NC(=O)Nc3cccc(Cl)c3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K21 compound treatment 0.485 -0.0016 -0.05 0.513 0.0139 0.41 0.2555 0.6161 1118061 TimTec1_005873 Sc1nc2-c3ccccc3CC(C4CCCCC4)c2c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K22 compound treatment 0.488 0.0014 0.04 0.501 0.00189 0.06 0.0708 0.9928 3211948 TimTec1_005874 CCC(C#N)C1(CC2CC3CC(C2)C1)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K23 mock treatment 0.485 -0.0016 -0.05 0.497 -0.00211 -0.06 -0.0797 -0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 K24 mock treatment 0.493 0.0064 0.2 0.505 0.00589 0.17 0.2658 0.9975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L01 compound treatment 0.518 0.0314 0.99 0.508 0.00889 0.26 0.8845 0.8655 3087980 TimTec1_005875 COC(=O)c1ccc(cc1)C2OCC(C)(C)CO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L02 compound treatment 0.491 0.0044 0.14 0.504 0.00489 0.14 0.2003 0.9997 1135137 TimTec1_005876 CCOc1ccc(CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L03 compound treatment 0.496 0.0094 0.3 0.487 -0.0121 -0.36 -0.0447 -0.0961 3211949 TimTec1_005877 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L04 compound treatment 0.487 4.0E-4 0.01 0.478 -0.0211 -0.63 -0.4334 -0.6927 1515423 TimTec1_005878 CCOc1nc(Cl)nc(n1)N2CCCCC2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L05 compound treatment 0.49 0.0034 0.11 0.5 8.93E-4 0.03 0.0943 0.8563 3088028 TimTec1_005879 COc1ccc(cc1)C(=O)NC(N2CCCCC2c3cccnc3)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L06 compound treatment 0.492 0.0054 0.17 0.492 -0.00711 -0.21 -0.0289 -0.1066 1732675 TimTec1_005880 CCOc1ccc(CC(=O)Nc2ccccc2)cc1OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L07 compound treatment 0.493 0.0064 0.2 0.521 0.0219 0.65 0.601 0.8849 1230635 TimTec1_005881 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L08 compound treatment 0.502 0.0154 0.48 0.489 -0.0101 -0.3 0.1306 0.2294 1233176 TimTec1_005882 CCNC(=O)C1CC(=O)OC21CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L09 compound treatment 0.512 0.0254 0.8 0.494 -0.00511 -0.15 0.4577 0.5631 1157682 TimTec1_005883 COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L10 compound treatment 0.477 -0.0096 -0.3 0.481 -0.0181 -0.54 -0.5928 -0.963 3088032 TimTec1_005884 CC(=O)ON1C(C)(C)C=C(C(=O)N)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L11 compound treatment 0.484 -0.0026 -0.08 0.472 -0.0271 -0.8 -0.6258 -0.7751 3211950 TimTec1_005885 COc1ccccc1n2c(S)nnc2Cc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L12 compound treatment 0.518 0.0314 0.99 0.52 0.0209 0.62 1.1359 0.9747 1274328 TimTec1_005886 COc1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L13 compound treatment 0.498 0.0114 0.36 0.495 -0.00411 -0.12 0.1674 0.4422 3211951 TimTec1_005887 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5ccc(F)cc5)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L14 compound treatment 0.499 0.0124 0.39 0.498 -0.00111 -0.03 0.2525 0.6453 1513069 TimTec1_005888 CC(C)c1c(NC(=O)c2ccc(Cl)cc2)cc(C)c(O)c1S(=O)(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L15 compound treatment 0.485 -0.0016 -0.05 0.492 -0.00711 -0.21 -0.1845 -0.8521 1273520 TimTec1_005889 CCn1c(SCCn2c(=S)n(C)c3ccccc23)nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L16 compound treatment 0.49 0.0034 0.11 0.488 -0.0111 -0.33 -0.1571 -0.4541 1715744 TimTec1_005890 C(N1CCCC1)c2cc3ccccc3c4COCc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L17 compound treatment 0.459 -0.0276 -0.87 0.492 -0.00711 -0.21 -0.7626 -0.8539 1402014 TimTec1_005891 Cc1nc2cccc(C(=O)Oc3ccc(cc3)C(C)(C)C)c2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L18 compound treatment 0.482 -0.0046 -0.14 0.513 0.0139 0.41 0.1888 0.4327 1594146 TimTec1_005892 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCCC3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L19 compound treatment 0.479 -0.0076 -0.24 0.482 -0.0171 -0.51 -0.5274 -0.9411 3088038 TimTec1_005893 CCc1nnc(NC(=O)CSc2nnc(c3cccs3)n2CC=C)s1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L20 compound treatment 0.504 0.0174 0.55 0.486 -0.0131 -0.39 0.1122 0.1673 3211952 TimTec1_005894 CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L21 compound treatment 0.492 0.0054 0.17 0.509 0.00989 0.29 0.3273 0.9663 3088039 TimTec1_005895 OC(=O)/C(=C/C(=O)c1ccccc1)/Nc2ccc(OC(F)(F)F)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L22 compound treatment 0.467 -0.0196 -0.62 0.491 -0.00811 -0.24 -0.6057 -0.9156 1788194 TimTec1_005896 CCOC(=O)c1c(C)c(NC(=O)C)c(C)n1C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L23 mock treatment 0.461 -0.0256 -0.8 0.487 -0.0121 -0.36 -0.8229 -0.9337 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 L24 mock treatment 0.49 0.0034 0.11 0.518 0.0189 0.56 0.4715 0.8272 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M01 compound treatment 0.496 0.0094 0.3 0.5 8.93E-4 0.03 0.2277 0.7673 1430182 TimTec1_005897 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(C)cc3)no1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M02 compound treatment 0.494 0.0074 0.23 0.489 -0.0101 -0.3 -0.0472 -0.1246 1516860 TimTec1_005898 CCN1C2OC3OC4C(OC3OC2N(CC)S1(=O)=O)N(CC)S(=O)(=O)N4CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M03 compound treatment 0.487 4.0E-4 0.01 0.479 -0.0201 -0.6 -0.4124 -0.692 1315988 TimTec1_005899 Clc1ccccc1NCn2nc(c3ccccc3)n(CC=C)c2=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M04 compound treatment 0.496 0.0094 0.3 0.507 0.00789 0.23 0.3744 0.9933 3088042 TimTec1_005900 CCC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M05 compound treatment 0.507 0.0204 0.64 0.517 0.0179 0.53 0.8285 0.9955 3211953 TimTec1_005901 CC(C)C1C(=C(N)Oc2n[nH]c(C)c12)C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M06 compound treatment 0.488 0.0014 0.04 0.491 -0.00811 -0.24 -0.1387 -0.5681 1171314 TimTec1_005902 COc1ccc(OC)c(CNc2ccc3n(C)c(C)nc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M07 compound treatment 0.491 0.0044 0.14 0.499 -1.07E-4 0.0 0.0956 0.6907 3088045 TimTec1_005903 CCOC(=O)C1=C(C)NC(=NC1c2ccccc2)SCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M08 compound treatment 0.474 -0.0126 -0.4 0.492 -0.00711 -0.21 -0.4291 -0.9563 1705094 TimTec1_005904 OC(=O)Cc1c(Sc2ccccc2)c3ccccc3n1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M09 compound treatment 0.507 0.0204 0.64 0.515 0.0159 0.47 0.7866 0.9885 3211954 TimTec1_005905 CN(C)c1ccc(/C=C/2\C(=O)N(N=C2C(=O)Nc3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M10 compound treatment 0.498 0.0114 0.36 0.521 0.0219 0.65 0.7122 0.9609 1621165 TimTec1_005906 O1c2ccccc2N=C(c3ccccc3)c4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M11 compound treatment 0.509 0.0224 0.7 0.503 0.00389 0.12 0.5796 0.8121 1640716 TimTec1_005907 CCN(CC)C(=O)c1cn(nc1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M12 compound treatment 0.509 0.0224 0.7 0.511 0.0119 0.35 0.7472 0.9488 3211955 TimTec1_005908 OC(=O)C1CC(=O)N(CCc2ccccc2)/C(=N/CCc3ccccc3)/S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M13 compound treatment 0.527 0.0404 1.27 0.535 0.0359 1.06 1.6503 0.9961 3088114 TimTec1_005909 CCCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CCO)/SC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M14 compound treatment 0.515 0.0284 0.89 0.531 0.0319 0.95 1.2997 0.9996 1416853 TimTec1_005910 CCCCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M15 compound treatment 0.537 0.0504 1.58 0.545 0.0459 1.36 2.0822 0.9971 3088116 TimTec1_005911 FC(F)(F)c1cccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M16 compound treatment 0.481 -0.0056 -0.18 0.503 0.00389 0.12 -0.0429 -0.204 1117685 TimTec1_005912 CN(C)c1ccc(cc1)C2OC(COc3ccccc3)CN(O2)C(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M17 compound treatment 0.498 0.0114 0.36 0.506 0.00689 0.2 0.3979 0.9644 1411622 TimTec1_005913 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M18 compound treatment 0.514 0.0274 0.86 0.512 0.0129 0.38 0.8793 0.933 1119974 TimTec1_005914 COc1ccc(cc1)c2nc(SCc3ccccc3C#N)[nH]c(=O)c2C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M19 compound treatment 0.511 0.0244 0.77 0.516 0.0169 0.5 0.8965 0.9786 1518985 TimTec1_005915 CC(C1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M20 compound treatment 0.495 0.0084 0.26 0.51 0.0109 0.32 0.415 0.995 3088119 TimTec1_005916 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M21 compound treatment 0.491 0.0044 0.14 0.505 0.00589 0.17 0.2213 0.9934 1232476 TimTec1_005917 CC1CN(C(=O)C)c2ccccc2NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M22 compound treatment 0.488 0.0014 0.04 0.515 0.0159 0.47 0.3641 0.7698 1452888 TimTec1_005918 O=C1N(C(=O)c2cccc3cccc1c23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M23 mock treatment 0.505 0.0184 0.58 0.512 0.0129 0.38 0.6792 0.9797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 M24 mock treatment 0.514 0.0274 0.86 0.529 0.0299 0.89 1.2355 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N01 compound treatment 0.511 0.0244 0.77 0.517 0.0179 0.53 0.9174 0.9837 1241281 TimTec1_005919 COc1cc(NC(=O)c2cc3ccccc3cc2OCC(=O)NC(C)(C)C)c(OC)cc1Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N02 compound treatment 0.48 -0.0066 -0.21 0.482 -0.0171 -0.51 -0.5052 -0.9223 3088122 TimTec1_005920 CCn/1cccc\c1=N/P2(=S)OCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N03 compound treatment 0.495 0.0084 0.26 0.519 0.0199 0.59 0.6036 0.9344 1595949 TimTec1_005921 OC1=C(C(N(CCc2ccccc2)C1=O)c3ccccc3)C(=O)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N04 compound treatment 0.486 -6.0E-4 -0.02 0.479 -0.0201 -0.6 -0.4346 -0.7291 1572095 TimTec1_005922 COCc1cc(C)nc2[nH]nc(N)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N05 compound treatment 0.487 4.0E-4 0.01 0.488 -0.0111 -0.33 -0.2238 -0.6796 3212011 TimTec1_005923 O=C(NCCOc1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N06 compound treatment 0.488 0.0014 0.04 0.499 -1.07E-4 0.0 0.0289 0.6544 3212012 TimTec1_005924 CCOC(=O)c1cn(nc1N)C2CC(=O)C3OCC2O3.CCOC(=O)c1cn(nc1N)C2CC(O)(O)C3OCC2O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N07 compound treatment 0.483 -0.0036 -0.11 0.494 -0.00511 -0.15 -0.1871 -0.9898 3088126 TimTec1_005925 NC[C@@H]1CCCN2CCCC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N08 compound treatment 0.473 -0.0136 -0.43 0.472 -0.0271 -0.8 -0.8703 -0.9565 1354761 TimTec1_005926 CCC(C)NCc1ccc(o1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N09 compound treatment 0.488 0.0014 0.04 0.483 -0.0161 -0.48 -0.3064 -0.6392 1518220 TimTec1_005927 CSC1=NC(=C(C(=O)Nc2ccccc2)C3(CCCCC3)C1C(=O)N)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N10 compound treatment 0.552 0.0654 2.06 0.557 0.0579 1.72 2.6671 0.9959 3212013 TimTec1_005928 OC1(O)CC(C2COC1O2)n3nc(c4ccco4)n(CC=C)c3=S.C=CCn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N11 compound treatment 0.482 -0.0046 -0.14 0.487 -0.0121 -0.36 -0.356 -0.9202 3088130 TimTec1_005929 Cc1cc2CC(C)(C)N/C(=C/C(=O)N)/c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N12 compound treatment 0.534 0.0474 1.49 0.531 0.0319 0.95 1.7221 0.9758 1138138 TimTec1_005930 CCOC(=O)c1[nH]c(C)c(CNc2ccccc2)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N13 compound treatment 0.516 0.0294 0.92 0.498 -0.00111 -0.03 0.6305 0.6816 1675612 TimTec1_005931 COc1nonc1n2nnc(C(=O)c3ccccc3)c2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N14 compound treatment 0.524 0.0374 1.18 0.504 0.00489 0.14 0.9341 0.7883 1140939 TimTec1_005932 CCCc1c(C)[nH]c2nc3ccccc3n2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N15 compound treatment 0.49 0.0034 0.11 0.489 -0.0101 -0.3 -0.1362 -0.4282 3088132 TimTec1_005933 Clc1ccccc1c2nnc3cccc(Cl)n23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N16 compound treatment 0.495 0.0084 0.26 0.493 -0.00611 -0.18 0.0588 0.1837 1219341 TimTec1_005934 CCN(C(=O)c1c(C)c(Cl)c(C)nc1Oc2ccc(F)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N17 compound treatment 0.494 0.0074 0.23 0.485 -0.0141 -0.42 -0.1311 -0.2739 1518508 TimTec1_005935 CC(=O)N(CC1(CC2CC3CC(C2)C1)C3)C4CC(=O)N(C4=O)c5cccc(Cl)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N18 compound treatment 0.48 -0.0066 -0.21 0.506 0.00689 0.2 -0.0023 -0.008 3088204 TimTec1_005936 Cn1nc(cc1Cl)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N19 compound treatment 0.501 0.0144 0.45 0.523 0.0239 0.71 0.8208 0.9767 3088206 TimTec1_005937 Cc1ccc(N/C(=C/C(=O)c2ccccc2)/C(=O)O)cc1Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N20 compound treatment 0.533 0.0464 1.46 0.525 0.0259 0.77 1.5742 0.955 3088207 TimTec1_005938 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N21 compound treatment 0.485 -0.0016 -0.05 0.491 -0.00811 -0.24 -0.2054 -0.837 3212014 TimTec1_005939 COCCN1C=C(C(C(=C1)C(=O)OC)c2cccs2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N22 compound treatment 0.52 0.0334 1.05 0.527 0.0279 0.83 1.327 0.993 3212015 TimTec1_005940 CN/1CCC\C1=C\C=C\2/SC(=S)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N23 mock treatment 0.502 0.0154 0.48 0.498 -0.00111 -0.03 0.3192 0.6577 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 N24 mock treatment 0.512 0.0254 0.8 0.532 0.0329 0.97 1.2539 0.9951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O01 compound treatment 0.547 0.0604 1.9 0.541 0.0419 1.24 2.2207 0.9788 1199249 TimTec1_005941 CCCn1c2ccccc2c3nnc(SCC(=O)NC(C)c4ccccc4)nc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O02 compound treatment 0.503 0.0164 0.52 0.496 -0.00311 -0.09 0.2995 0.5718 1786664 TimTec1_005942 CC(C)c1cc(=O)n2nc(N)[nH]c2n1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O03 compound treatment 0.517 0.0304 0.96 0.507 0.00789 0.23 0.8413 0.8549 3212016 TimTec1_005943 Fc1ccccc1COc2ccccc2/C=C\3/SC(=N)NC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O04 compound treatment 0.521 0.0344 1.08 0.518 0.0189 0.56 1.1607 0.953 1724360 TimTec1_005944 c1c(nc2nc(c3ccccc3)c(nn12)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O05 compound treatment 0.506 0.0194 0.61 0.514 0.0149 0.44 0.7434 0.9874 3088212 TimTec1_005945 O=C(CSC1=NC(CC(=O)N1)c2ccccc2)Nc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O06 compound treatment 0.495 0.0084 0.26 0.474 -0.0251 -0.74 -0.3393 -0.4298 1025381 TimTec1_005946 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O07 compound treatment 0.508 0.0214 0.67 0.489 -0.0101 -0.3 0.264 0.3585 1512733 TimTec1_005947 COc1ccc(cc1)C2=C(C)C(c3cccs3)c4ccccc4O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O08 compound treatment 0.541 0.0544 1.71 0.514 0.0149 0.44 1.5216 0.8613 3088214 TimTec1_005948 COC(=O)c1ccc(cc1)C2OCCCO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O09 compound treatment 0.556 0.0694 2.18 0.557 0.0579 1.72 2.756 0.9929 3212017 TimTec1_005949 CCN(CC)N=Nc1n[nH]c2nc(C)cc(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O10 compound treatment 0.54 0.0534 1.68 0.514 0.0149 0.44 1.4993 0.8636 1112286 TimTec1_005950 CC(=O)Nc1ccc(Cl)cc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O11 compound treatment 0.541 0.0544 1.71 0.525 0.0259 0.77 1.752 0.9346 3212018 TimTec1_005951 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4c[nH]c5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O12 compound treatment 0.549 0.0624 1.96 0.521 0.0219 0.65 1.8461 0.8933 3212019 TimTec1_005952 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O13 compound treatment 0.492 0.0054 0.17 0.499 -1.07E-4 0.0 0.1178 0.6938 1583863 TimTec1_005953 CCOC(=O)C1(CCN(Cc2cccc(c2)C(=O)O)CC1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O14 compound treatment 0.523 0.0364 1.14 0.522 0.0229 0.68 1.289 0.9688 3212020 TimTec1_005954 COC(=O)c1c(NC(NC(=O)C)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O15 compound treatment 0.542 0.0554 1.74 0.531 0.0319 0.95 1.9 0.9587 1330742 TimTec1_005955 COc1ccc(cc1)C(=O)c2sc3nc(cc(c4cccs4)c3c2N)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O16 compound treatment 0.515 0.0284 0.89 0.518 0.0189 0.56 1.0273 0.9747 1008206 TimTec1_005956 NNc1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O17 compound treatment 0.516 0.0294 0.92 0.533 0.0339 1.0 1.3638 0.9991 3212021 TimTec1_005957 C/N=C\1/S/C(=C\c2sccc2C)/C(=O)N1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O18 compound treatment 0.508 0.0214 0.67 0.527 0.0279 0.83 1.0602 0.9948 1627835 TimTec1_005958 OC(C(=O)NN1CCCCC1)(c2ccsc2)c3ccsc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O19 compound treatment 0.538 0.0514 1.62 0.534 0.0349 1.03 1.8739 0.9767 3088220 TimTec1_005959 C/C(=N/O)/C1CCCCCCCCCCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O20 compound treatment 0.487 4.0E-4 0.01 0.509 0.00989 0.29 0.2162 0.7368 3212022 TimTec1_005960 Fc1cccc(C(=O)N2CCCCC2)c1F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O21 compound treatment 0.509 0.0224 0.7 0.52 0.0209 0.62 0.9358 0.9979 1373583 TimTec1_005961 Clc1ccc(cc1)C2(CC(=O)N3CCCCC3)C(=O)c4ccccc4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O22 compound treatment 0.508 0.0214 0.67 0.515 0.0159 0.47 0.8088 0.9848 1018702 TimTec1_005962 Oc1ccccc1C(=O)N2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O23 mock treatment 0.497 0.0104 0.33 0.527 0.0279 0.83 0.8157 0.9177 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 O24 mock treatment 0.502 0.0154 0.48 0.55 0.0509 1.51 1.4087 0.8894 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P01 compound treatment 0.539 0.0524 1.65 0.532 0.0329 0.97 1.8543 0.9686 1707498 TimTec1_005963 COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC3(CC4CC5CC(C4)C3)C5)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P02 compound treatment 0.526 0.0394 1.24 0.53 0.0309 0.92 1.5233 0.9889 3088297 TimTec1_005964 CC1(C)COP(=S)(OC1)N(C2=NCCC2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P03 compound treatment 0.507 0.0204 0.64 0.514 0.0149 0.44 0.7656 0.9833 3212023 TimTec1_005965 CCC1CC(O)C(C)C(C)S1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P04 compound treatment 0.698 0.211 6.65 0.703 0.204 6.04 8.9724 0.9989 3088299 TimTec1_005966 Oc1c(Cl)cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P05 compound treatment 0.521 0.0344 1.08 0.535 0.0359 1.06 1.5169 1.0 1497087 TimTec1_005967 COc1ccccc1n2c(CSc3ccccn3)nc4ccccc4c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P06 compound treatment 0.52 0.0334 1.05 0.512 0.0129 0.38 1.0128 0.9062 3088301 TimTec1_005968 FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P07 compound treatment 0.559 0.0724 2.28 0.546 0.0469 1.39 2.5923 0.972 3212024 TimTec1_005969 Brc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P08 compound treatment 0.522 0.0354 1.11 0.514 0.0149 0.44 1.0991 0.9179 3212086 TimTec1_005970 Cc1cc(Cl)ccc1OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P09 compound treatment 0.544 0.0574 1.8 0.526 0.0269 0.8 1.8397 0.9325 1275002 TimTec1_005971 CC(NC(=O)NC1(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P10 compound treatment 0.536 0.0494 1.55 0.537 0.0379 1.12 1.8923 0.9873 1579554 TimTec1_005972 COc1ccc(cc1OC)C2SCC(=O)N2CCN3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P11 compound treatment 0.573 0.0864 2.72 0.561 0.0619 1.83 3.2178 0.9817 3088305 TimTec1_005973 CNc1nc(cc(n1)C(F)(F)F)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P12 compound treatment 0.525 0.0384 1.21 0.506 0.00689 0.2 0.9982 0.8151 1420064 TimTec1_005974 Fc1ccccc1c2nnn(CC(=O)NCc3ccc4OCOc4c3)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P13 compound treatment 0.527 0.0404 1.27 0.535 0.0359 1.06 1.6503 0.9961 1669226 TimTec1_005975 CCOC(=O)C1=C(N)CC(NC1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P14 compound treatment 0.517 0.0304 0.96 0.529 0.0299 0.89 1.3022 0.9993 3088307 TimTec1_005976 COc1cc(ccc1n2cnnn2)n3cnnn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P15 compound treatment 0.523 0.0364 1.14 0.539 0.0399 1.18 1.6452 0.9999 1638981 TimTec1_005977 COc1ccc(NC(=O)C2(CCCCC2)N(C(=O)Cn3nnnc3N)c4ccc(OC)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P16 compound treatment 0.535 0.0484 1.52 0.544 0.0449 1.33 2.0167 0.9978 1387660 TimTec1_005978 CN(C)c1ccc(cc1)C(N2C(CC2=O)c3ccco3)C(=O)Nc4c(C)cccc4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P17 compound treatment 0.524 0.0374 1.18 0.551 0.0519 1.54 1.9188 0.9912 1166206 TimTec1_005979 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)N(CC=C)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P18 compound treatment 0.518 0.0314 0.99 0.516 0.0169 0.5 1.0521 0.9504 3088310 TimTec1_005980 Cc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P19 compound treatment 0.525 0.0384 1.21 0.539 0.0399 1.18 1.6896 0.9999 3212087 TimTec1_005981 CC(=O)NC(NCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P20 compound treatment 0.541 0.0544 1.71 0.541 0.0419 1.24 2.0873 0.9876 3212088 TimTec1_005982 Brc1ccc2nc(oc(=O)c2c1)c3ccc4C(=O)N(C5CCCCC5)C(=O)c4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P21 compound treatment 0.575 0.0884 2.78 0.583 0.0839 2.49 3.7233 0.9984 1700737 TimTec1_005983 Cc1ccc(cc1S(=O)(=O)NCc2ccccn2)c3nnc(Nc4ccccc4)c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P22 compound treatment 0.563 0.0764 2.4 0.533 0.0339 1.0 2.4088 0.9251 3212089 TimTec1_005984 CN1CCC(CC1)OC(=O)c2cc3cc(Br)ccc3oc2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P23 mock treatment 0.507 0.0204 0.64 0.521 0.0219 0.65 0.9123 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2079 P24 mock treatment 0.549 0.0624 1.96 0.569 0.0699 2.07 2.8518 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A01 compound treatment 0.51 0.023 0.72 0.518 0.0377 1.12 1.2997 0.9777 3186371 PK04_094001 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A02 compound treatment 1.382 0.895 28.14 0.513 0.0327 0.97 20.5829 0.731 3067979 PK04_094002 COCCCNC(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A03 compound treatment 0.517 0.03 0.94 0.502 0.0217 0.64 1.1201 0.9826 3068002 PK04_094003 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A04 compound treatment 0.485 -0.00205 -0.06 0.499 0.0187 0.55 0.3457 0.6207 3186372 PK04_094004 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A05 compound treatment 0.51 0.023 0.72 0.513 0.0327 0.97 1.1949 0.9895 3068007 PK04_094005 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A06 compound treatment 0.521 0.034 1.07 0.53 0.0497 1.47 1.7957 0.9876 3186373 PK04_094006 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A07 compound treatment 0.531 0.044 1.38 0.528 0.0477 1.41 1.9761 0.9999 3186374 PK04_094007 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A08 compound treatment 0.529 0.042 1.32 0.535 0.0547 1.62 2.0783 0.9948 3068010 PK04_094008 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A09 compound treatment 0.5 0.013 0.41 0.506 0.0257 0.76 0.8259 0.9571 3186375 PK04_094009 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A10 compound treatment 0.516 0.029 0.91 0.52 0.0397 1.18 1.475 0.992 3068013 PK04_094010 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A11 compound treatment 0.532 0.045 1.41 0.524 0.0437 1.29 1.9145 0.999 3186376 PK04_094011 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A12 compound treatment 0.497 0.00995 0.31 0.499 0.0187 0.55 0.6125 0.9636 3186377 PK04_094012 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A13 mock treatment 0.513 0.026 0.82 0.497 0.0167 0.49 0.9264 0.9711 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A14 mock treatment 0.488 9.53E-4 0.03 0.499 0.0187 0.55 0.4124 0.7443 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A15 compound treatment 0.533 0.046 1.44 0.529 0.0487 1.44 2.0415 1.0 3068016 PK04_094013 CN(C)C(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A16 compound treatment 0.501 0.014 0.44 0.492 0.0117 0.35 0.5548 0.9931 3186378 PK04_094014 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A17 compound treatment 0.52 0.033 1.04 0.528 0.0477 1.41 1.7315 0.9884 3068018 PK04_094015 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A18 compound treatment 0.531 0.044 1.38 0.524 0.0437 1.29 1.8923 0.9995 3186379 PK04_094016 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A19 compound treatment 0.555 0.068 2.14 0.553 0.0727 2.15 3.0335 1.0 3186380 PK04_094017 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A20 compound treatment 0.488 9.53E-4 0.03 0.521 0.0407 1.21 0.8734 0.7245 3068020 PK04_094018 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A21 compound treatment 0.495 0.00795 0.25 0.491 0.0107 0.32 0.4004 0.9932 3186381 PK04_094019 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A22 compound treatment 0.507 0.02 0.63 0.489 0.00867 0.26 0.6253 0.9224 3186437 PK04_094020 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A23 compound treatment 0.463 -0.024 -0.76 0.551 0.0707 2.09 0.9461 0.4249 3068021 PK04_094021 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 A24 compound treatment 0.438 -0.049 -1.54 0.487 0.00667 0.2 -0.9507 -0.6115 3186438 PK04_094022 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B01 compound treatment 0.505 0.018 0.56 0.49 0.00967 0.29 0.6018 0.9506 3186439 PK04_094023 CCCN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B02 compound treatment 0.539 0.052 1.63 0.53 0.0497 1.47 2.1959 0.9986 3089331 PK04_094024 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B03 compound treatment 0.532 0.045 1.41 0.523 0.0427 1.26 1.8936 0.9985 3068022 PK04_094025 CCCN1C(=O)[C@]2(Cc3ccccc13)N=C(O[C@@H]2c4ccccc4)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B04 compound treatment 0.541 0.054 1.7 0.533 0.0527 1.56 2.3032 0.9991 3089332 PK04_094026 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B05 compound treatment 0.486 -0.00105 -0.03 0.475 -0.00533 -0.16 -0.1349 -0.8365 3186440 PK04_094027 CCCN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B06 compound treatment 0.536 0.049 1.54 0.521 0.0407 1.21 1.9406 0.9927 3000708 PK04_094028 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B07 compound treatment 0.509 0.022 0.69 0.499 0.0187 0.55 0.8793 0.994 3068023 PK04_094029 CN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B08 compound treatment 0.562 0.075 2.36 0.547 0.0667 1.98 3.0635 0.9962 3089333 PK04_094030 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B09 compound treatment 0.501 0.014 0.44 0.496 0.0157 0.46 0.6386 0.9996 3186441 PK04_094031 CN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B10 compound treatment 0.513 0.026 0.82 0.512 0.0317 0.94 1.2407 0.9976 3089654 PK04_094032 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B11 compound treatment 0.521 0.034 1.07 0.501 0.0207 0.61 1.188 0.9652 3186442 PK04_094033 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B12 compound treatment 0.55 0.063 1.98 0.543 0.0627 1.86 2.7128 0.9995 3089334 PK04_094034 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B13 mock treatment 0.502 0.015 0.47 0.49 0.00967 0.29 0.5351 0.9718 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B14 mock treatment 0.487 -4.69E-5 0.0 0.484 0.00367 0.11 0.0759 0.6975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B15 compound treatment 0.459 -0.028 -0.88 0.477 -0.00333 -0.1 -0.6933 -0.7813 3068024 PK04_094035 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B16 compound treatment 0.534 0.047 1.48 0.529 0.0487 1.44 2.0638 0.9999 3000709 PK04_094036 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B17 compound treatment 0.501 0.014 0.44 0.484 0.00367 0.11 0.3872 0.8565 3186443 PK04_094037 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B18 compound treatment 0.544 0.057 1.79 0.535 0.0547 1.62 2.4118 0.9987 3089363 PK04_094038 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B19 compound treatment 0.49 0.00295 0.09 0.497 0.0167 0.49 0.415 0.8256 3068025 PK04_094039 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5N(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B20 compound treatment 0.505 0.018 0.56 0.522 0.0417 1.23 1.2723 0.9371 3089652 PK04_094040 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B21 compound treatment 0.524 0.037 1.16 0.522 0.0417 1.23 1.6948 0.9995 3186444 PK04_094041 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B22 compound treatment 0.522 0.035 1.1 0.538 0.0577 1.71 1.9855 0.9772 3089653 PK04_094042 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4)[C@H]1OC(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B23 compound treatment 0.602 0.115 3.61 0.539 0.0587 1.74 3.7852 0.9437 3186445 PK04_094043 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 B24 compound treatment 0.539 0.052 1.63 0.555 0.0747 2.21 2.7197 0.9889 3089657 PK04_094044 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C01 compound treatment 0.51 0.023 0.72 0.516 0.0357 1.06 1.2578 0.9827 3068026 PK04_094045 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C02 compound treatment 0.496 0.00895 0.28 0.504 0.0237 0.7 0.6951 0.9196 3068051 PK04_094046 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C03 compound treatment 0.489 0.00195 0.06 0.488 0.00767 0.23 0.2042 0.867 3068052 PK04_094047 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C04 compound treatment 0.472 -0.015 -0.47 0.487 0.00667 0.2 -0.1948 -0.3798 3068053 PK04_094048 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)N3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C05 compound treatment 0.499 0.012 0.38 0.49 0.00967 0.29 0.4684 0.991 3068054 PK04_094049 COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C06 compound treatment 0.471 -0.016 -0.5 0.472 -0.00833 -0.25 -0.5313 -0.9459 3186446 PK04_094050 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C07 compound treatment 0.475 -0.012 -0.38 0.475 -0.00533 -0.16 -0.3795 -0.9247 3068055 PK04_094051 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C08 compound treatment 0.498 0.011 0.34 0.482 0.00167 0.05 0.2786 0.8006 3186447 PK04_094052 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C09 compound treatment 0.48 -0.00705 -0.22 0.471 -0.00933 -0.28 -0.3521 -0.994 3068056 PK04_094053 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C10 compound treatment 0.511 0.024 0.75 0.501 0.0207 0.61 0.9657 0.9947 3186448 PK04_094054 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C11 mock treatment 0.482 -0.00505 -0.16 0.473 -0.00733 -0.22 -0.2658 -0.9881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C12 mock treatment 0.487 -4.69E-5 0.0 0.465 -0.0153 -0.45 -0.3222 -0.7094 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C13 compound treatment 0.484 -0.00305 -0.1 0.496 0.0157 0.46 0.2606 0.5497 3186449 PK04_094055 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C14 compound treatment 0.486 -0.00105 -0.03 0.479 -0.00133 -0.04 -0.0511 -0.9961 3068057 PK04_094056 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C15 mock treatment 0.482 -0.00505 -0.16 0.473 -0.00733 -0.22 -0.2658 -0.9881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C16 mock treatment 0.483 -0.00405 -0.13 0.479 -0.00133 -0.04 -0.1178 -0.8845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C17 compound treatment 0.493 0.00595 0.19 0.482 0.00167 0.05 0.1674 0.8645 3186450 PK04_094057 NC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C18 compound treatment 0.492 0.00495 0.16 0.478 -0.00233 -0.07 0.0613 0.3601 3186451 PK04_094058 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C19 compound treatment 0.498 0.011 0.34 0.47 -0.0103 -0.31 0.0271 0.0589 3068058 PK04_094059 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C20 compound treatment 0.509 0.022 0.69 0.475 -0.00533 -0.16 0.3765 0.5316 3186452 PK04_094060 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C21 compound treatment 0.486 -0.00105 -0.03 0.497 0.0167 0.49 0.326 0.6585 3068059 PK04_094061 NC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C22 compound treatment 0.485 -0.00205 -0.06 0.481 6.72E-4 0.02 -0.0314 -0.4666 3186453 PK04_094062 NC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C23 compound treatment 0.479 -0.00805 -0.25 0.48 -3.28E-4 -0.01 -0.1858 -0.7337 3186454 PK04_094063 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 C24 compound treatment 0.536 0.049 1.54 0.52 0.0397 1.18 1.9197 0.9911 3068060 PK04_094064 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D01 compound treatment 0.51 0.023 0.72 0.527 0.0467 1.38 1.4882 0.954 3186455 PK04_094065 CN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D02 compound treatment 0.497 0.00995 0.31 0.499 0.0187 0.55 0.6125 0.9636 3000713 PK04_094066 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D03 compound treatment 0.521 0.034 1.07 0.511 0.0307 0.91 1.3976 0.9968 3186456 PK04_094067 CCCN1C(=O)[C@@]2(CCC(=O)OC(C)(C)C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D04 compound treatment 0.492 0.00495 0.16 0.484 0.00367 0.11 0.1871 0.9846 3089658 PK04_094068 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D05 compound treatment 0.486 -0.00105 -0.03 0.454 -0.0263 -0.78 -0.5749 -0.7363 3068061 PK04_094069 CCCN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D06 compound treatment 0.506 0.019 0.6 0.49 0.00967 0.29 0.6241 0.9437 3089659 PK04_094070 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D07 compound treatment 0.516 0.029 0.91 0.474 -0.00633 -0.19 0.5111 0.5499 3186457 PK04_094071 CCCN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D08 compound treatment 0.499 0.012 0.38 0.488 0.00767 0.23 0.4265 0.971 3089664 PK04_094072 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D09 compound treatment 0.485 -0.00205 -0.06 0.484 0.00367 0.11 0.0314 0.2486 3068062 PK04_094073 CCCN1C(=O)[C@@]2(CC=C)N=C(O[C@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D10 compound treatment 0.5 0.013 0.41 0.501 0.0207 0.61 0.7211 0.9803 3000714 PK04_094074 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D11 mock treatment 0.483 -0.00405 -0.13 0.474 -0.00633 -0.19 -0.2226 -0.9822 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D12 mock treatment 0.474 -0.013 -0.41 0.472 -0.00833 -0.25 -0.4646 -0.9704 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D13 compound treatment 0.504 0.017 0.53 0.478 -0.00233 -0.07 0.3282 0.6105 3186504 PK04_094075 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D14 compound treatment 0.507 0.02 0.63 0.485 0.00467 0.14 0.5415 0.8429 3089660 PK04_094076 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D15 mock treatment 0.478 -0.00905 -0.28 0.466 -0.0143 -0.42 -0.5014 -0.981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D16 mock treatment 0.49 0.00295 0.09 0.472 -0.00833 -0.25 -0.1088 -0.4128 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D17 compound treatment 0.519 0.032 1.0 0.512 0.0317 0.94 1.3741 0.9994 3186505 PK04_094077 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(Cc5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D18 compound treatment 0.492 0.00495 0.16 0.483 0.00267 0.08 0.1661 0.9508 3000715 PK04_094078 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D19 compound treatment 1.327 0.84 26.41 0.464 -0.0163 -0.48 18.3333 0.694 3068063 PK04_094079 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D20 compound treatment 0.979 0.492 15.47 0.731 0.251 7.43 16.1903 0.9435 3089662 PK04_094080 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D21 compound treatment 0.468 -0.019 -0.6 0.467 -0.0133 -0.39 -0.7027 -0.9796 3186506 PK04_094081 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4N(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D22 compound treatment 0.48 -0.00705 -0.22 0.477 -0.00333 -0.1 -0.2264 -0.9335 3000716 PK04_094082 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D23 compound treatment 0.49 0.00295 0.09 0.478 -0.00233 -0.07 0.0169 0.1459 3068064 PK04_094083 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 D24 compound treatment 0.559 0.072 2.26 0.56 0.0797 2.36 3.2691 0.9998 3000811 PK04_094084 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E01 mock treatment 0.478 -0.00905 -0.28 0.486 0.00567 0.17 -0.0823 -0.2491 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E02 mock treatment 0.469 -0.018 -0.57 0.473 -0.00733 -0.22 -0.5548 -0.9131 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E03 compound treatment 0.5 0.013 0.41 0.504 0.0237 0.7 0.784 0.9666 3186507 PK04_094085 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E04 compound treatment 0.484 -0.00305 -0.1 0.469 -0.0113 -0.34 -0.3051 -0.874 3186508 PK04_094086 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E05 compound treatment 0.499 0.012 0.38 0.486 0.00567 0.17 0.3846 0.9342 3068065 PK04_094087 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E06 compound treatment 0.497 0.00995 0.31 0.496 0.0157 0.46 0.5497 0.9816 3186509 PK04_094088 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E07 compound treatment 0.51 0.023 0.72 0.499 0.0187 0.55 0.9016 0.9914 3068066 PK04_094089 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E08 compound treatment 0.509 0.022 0.69 0.493 0.0127 0.38 0.7536 0.959 3186510 PK04_094090 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3N=[N+]=[N-])C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E09 mock treatment 0.49 0.00295 0.09 0.483 0.00267 0.08 0.1216 0.9969 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E10 mock treatment 0.494 0.00695 0.22 0.478 -0.00233 -0.07 0.1058 0.4616 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E11 compound treatment 0.492 0.00495 0.16 0.495 0.0147 0.43 0.4175 0.9042 3186511 PK04_094091 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E12 compound treatment 0.493 0.00595 0.19 0.474 -0.00633 -0.19 -2.0E-4 -9.0E-4 3068067 PK04_094092 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E13 compound treatment 0.514 0.027 0.85 0.519 0.0387 1.15 1.4096 0.989 3186512 PK04_094093 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E14 compound treatment 0.495 0.00795 0.25 0.48 -3.28E-4 -0.01 0.17 0.6791 3068068 PK04_094094 NC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E15 compound treatment 0.498 0.011 0.34 0.488 0.00767 0.23 0.4043 0.9797 3186513 PK04_094095 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E16 compound treatment 0.494 0.00695 0.22 0.49 0.00967 0.29 0.3572 0.9911 3068069 PK04_094096 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E17 mock treatment 0.483 -0.00405 -0.13 0.465 -0.0153 -0.45 -0.4111 -0.8716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E18 mock treatment 0.482 -0.00505 -0.16 0.462 -0.0183 -0.54 -0.4962 -0.877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E19 compound treatment 0.48 -0.00705 -0.22 0.473 -0.00733 -0.22 -0.3102 -0.9999 3186514 PK04_094097 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E20 compound treatment 0.475 -0.012 -0.38 0.473 -0.00733 -0.22 -0.4214 -0.9651 3186515 PK04_094098 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E21 compound treatment 0.513 0.026 0.82 0.507 0.0267 0.79 1.1359 0.9999 3068070 PK04_094099 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E22 compound treatment 0.503 0.016 0.5 0.499 0.0187 0.55 0.7459 0.9988 3186516 PK04_094100 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E23 compound treatment 0.493 0.00595 0.19 0.474 -0.00633 -0.19 -2.0E-4 -9.0E-4 3068071 PK04_094101 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 E24 compound treatment 0.501 0.014 0.44 0.492 0.0117 0.35 0.5548 0.9931 3186517 PK04_094102 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F01 mock treatment 0.491 0.00395 0.12 0.493 0.0127 0.38 0.3534 0.8935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F02 mock treatment 0.494 0.00695 0.22 0.504 0.0237 0.7 0.6506 0.8855 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F03 compound treatment 0.504 0.017 0.53 0.489 0.00867 0.26 0.5586 0.944 3068072 PK04_094103 CN1C(=O)[C@]2(CCC(=O)OC(C)(C)C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F04 compound treatment 0.524 0.037 1.16 0.524 0.0437 1.29 1.7367 0.9986 3000813 PK04_094104 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F05 compound treatment 0.487 -4.69E-5 0.0 0.487 0.00667 0.2 0.1388 0.7018 3186518 PK04_094105 CN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F06 compound treatment 0.54 0.053 1.67 0.541 0.0607 1.8 2.4486 0.9993 3000814 PK04_094106 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F07 compound treatment 0.5 0.013 0.41 0.485 0.00467 0.14 0.3859 0.897 3186519 PK04_094107 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F08 compound treatment 0.526 0.039 1.22 0.516 0.0357 1.06 1.6135 0.9973 3089667 PK04_094108 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F09 mock treatment 0.479 -0.00805 -0.25 0.48 -3.28E-4 -0.01 -0.1858 -0.7337 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F10 mock treatment 0.488 9.53E-4 0.03 0.486 0.00567 0.17 0.14 0.8203 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F11 compound treatment 0.497 0.00995 0.31 0.484 0.00367 0.11 0.2982 0.9001 3068073 PK04_094109 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F12 compound treatment 0.523 0.036 1.13 0.512 0.0317 0.94 1.463 0.9957 3089654 PK04_094110 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F13 compound treatment 0.529 0.042 1.32 0.496 0.0157 0.46 1.2611 0.9018 3186520 PK04_094111 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F14 compound treatment 0.545 0.058 1.82 0.536 0.0557 1.65 2.455 0.9988 3089708 PK04_094112 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F15 compound treatment 0.516 0.029 0.91 0.503 0.0227 0.67 1.1188 0.9888 3186521 PK04_094113 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@H](O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F16 compound treatment 0.54 0.053 1.67 0.535 0.0547 1.62 2.3229 0.9999 3000817 PK04_094114 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F17 mock treatment 0.483 -0.00405 -0.13 0.473 -0.00733 -0.22 -0.2435 -0.9676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F18 mock treatment 0.48 -0.00705 -0.22 0.479 -0.00133 -0.04 -0.1845 -0.8199 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F19 compound treatment 0.521 0.034 1.07 0.507 0.0267 0.79 1.3138 0.989 3068074 PK04_094115 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F20 compound treatment 0.535 0.048 1.51 0.529 0.0487 1.44 2.086 0.9998 3089709 PK04_094116 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F21 compound treatment 0.539 0.052 1.63 0.535 0.0547 1.62 2.3006 1.0 3186522 PK04_094117 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F22 compound treatment 0.508 0.021 0.66 0.508 0.0277 0.82 1.0457 0.9941 3000821 PK04_094118 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F23 compound treatment 0.522 0.035 1.1 0.501 0.0207 0.61 1.2103 0.9619 3186523 PK04_094119 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 F24 compound treatment 0.555 0.068 2.14 0.554 0.0737 2.18 3.0545 0.9999 3089711 PK04_094120 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G01 compound treatment 0.532 0.045 1.41 0.523 0.0427 1.26 1.8936 0.9985 3068075 PK04_094121 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G02 compound treatment 0.485 -0.00205 -0.06 0.484 0.00367 0.11 0.0314 0.2486 3186524 PK04_094122 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)COC(=N1)c2ccc(OCCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G03 mock treatment 0.468 -0.019 -0.6 0.471 -0.00933 -0.28 -0.6189 -0.9383 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G04 mock treatment 0.478 -0.00905 -0.28 0.476 -0.00433 -0.13 -0.2918 -0.9352 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G05 compound treatment 0.499 0.012 0.38 0.488 0.00767 0.23 0.4265 0.971 3186575 PK04_094123 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G06 compound treatment 0.488 9.53E-4 0.03 0.48 -3.28E-4 -0.01 0.0143 0.4544 3186576 PK04_094124 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G07 compound treatment 0.5 0.013 0.41 0.482 0.00167 0.05 0.323 0.7873 3068110 PK04_094125 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G08 compound treatment 0.494 0.00695 0.22 0.487 0.00667 0.2 0.2944 0.9987 3186577 PK04_094126 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G09 compound treatment 0.489 0.00195 0.06 0.48 -3.28E-4 -0.01 0.0366 0.5878 3068111 PK04_094127 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G10 compound treatment 0.494 0.00695 0.22 0.484 0.00367 0.11 0.2315 0.9481 3186578 PK04_094128 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G11 compound treatment 0.499 0.012 0.38 0.495 0.0147 0.43 0.5732 0.9974 3186579 PK04_094129 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G12 compound treatment 0.487 -4.69E-5 0.0 0.482 0.00167 0.05 0.034 0.6858 3068112 PK04_094130 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G13 compound treatment 0.489 0.00195 0.06 0.49 0.00967 0.29 0.2461 0.8396 3186580 PK04_094131 OCCCOc1ccc(cc1)C2=N[C@](CC=C)(CO2)C(=O)NCCN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G14 compound treatment 0.496 0.00895 0.28 0.469 -0.0113 -0.34 -0.0383 -0.0874 3186581 PK04_094132 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G15 compound treatment 0.509 0.022 0.69 0.494 0.0137 0.41 0.7746 0.9677 3068113 PK04_094133 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G16 compound treatment 0.496 0.00895 0.28 0.484 0.00367 0.11 0.276 0.9145 3186582 PK04_094134 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G17 compound treatment 0.495 0.00795 0.25 0.471 -0.00933 -0.28 -0.0186 -0.05 3186583 PK04_094135 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G18 compound treatment 0.53 0.043 1.35 0.492 0.0117 0.35 1.1996 0.8604 3068114 PK04_094136 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G19 mock treatment 0.48 -0.00705 -0.22 0.486 0.00567 0.17 -0.0378 -0.1361 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G20 mock treatment 0.462 -0.025 -0.79 0.458 -0.0223 -0.66 -1.0247 -0.9962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G21 compound treatment 0.493 0.00595 0.19 0.477 -0.00333 -0.1 0.0626 0.296 3186584 PK04_094137 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G22 compound treatment 0.494 0.00695 0.22 0.491 0.0107 0.32 0.3782 0.9838 3068115 PK04_094138 COCCCNC(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G23 compound treatment 0.498 0.011 0.34 0.507 0.0267 0.79 0.8024 0.9307 3186585 PK04_094139 CN(C)C(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 G24 compound treatment 0.522 0.035 1.1 0.497 0.0167 0.49 1.1265 0.9348 3186586 PK04_094140 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H01 compound treatment 0.559 0.072 2.26 0.556 0.0757 2.24 3.1853 1.0 3068116 PK04_094141 CCCN1C(=O)[C@]2(Cc3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H02 compound treatment 0.534 0.047 1.48 0.52 0.0397 1.18 1.8752 0.9936 3000914 PK04_094142 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H03 mock treatment 0.474 -0.013 -0.41 0.466 -0.0143 -0.42 -0.5903 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H04 mock treatment 0.478 -0.00905 -0.28 0.497 0.0167 0.49 0.1482 0.2599 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H05 compound treatment 0.504 0.017 0.53 0.478 -0.00233 -0.07 0.3282 0.6105 3068117 PK04_094143 CCCN1C(=O)[C@]2(CC=C)N=C(O[C@@H]2c3ccccc13)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H06 compound treatment 0.53 0.043 1.35 0.524 0.0437 1.29 1.8701 0.9998 3089723 PK04_094144 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H07 compound treatment 0.475 -0.012 -0.38 0.465 -0.0153 -0.45 -0.589 -0.9959 3186589 PK04_094145 CN1C(=O)[C@@]2(Cc3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H08 compound treatment 0.501 0.014 0.44 0.484 0.00367 0.11 0.3872 0.8565 3089724 PK04_094146 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H09 compound treatment 0.491 0.00395 0.12 0.476 -0.00433 -0.13 -0.0028 -0.0156 3186590 PK04_094147 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4N(C(=O)c5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H10 compound treatment 0.501 0.014 0.44 0.491 0.0107 0.32 0.5338 0.9871 3000917 PK04_094148 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H11 compound treatment 0.485 -0.00205 -0.06 0.477 -0.00333 -0.1 -0.1152 -0.9786 3068119 PK04_094149 CC(C)(C)OC(=O)CC[C@]12N=C(O[C@@H]2c3ccccc3CN(C(=O)c4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H12 compound treatment 0.514 0.027 0.85 0.511 0.0307 0.91 1.2419 0.9994 3089768 PK04_094150 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H13 compound treatment 0.525 0.038 1.19 0.527 0.0467 1.38 1.8217 0.9973 3186593 PK04_094151 OCCCOc1ccc(cc1)C2=N[C@]3(CC=C)[C@H](O2)c4ccccc4CN(C(=O)c5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H14 compound treatment 0.491 0.00395 0.12 0.487 0.00667 0.2 0.2277 0.975 3089763 PK04_094152 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H15 compound treatment 0.512 0.025 0.78 0.511 0.0307 0.91 1.1975 0.9973 3186594 PK04_094153 OCCCOc1ccc(cc1)C2=N[C@@]3(CCS(=O)(=O)c4ccccc4)[C@@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H16 compound treatment 0.502 0.015 0.47 0.502 0.0217 0.64 0.7866 0.9883 3089764 PK04_094154 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3)[C@@H]1OC(=O)Nc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H17 compound treatment 0.478 -0.00905 -0.28 0.468 -0.0123 -0.37 -0.4595 -0.9923 3068121 PK04_094155 OCCCOc1ccc(cc1)C2=N[C@@]3(CO2)Cc4ccccc4CN(C(=O)c5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H18 compound treatment 0.496 0.00895 0.28 0.485 0.00467 0.14 0.297 0.9466 3000919 PK04_094156 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H19 mock treatment 0.472 -0.015 -0.47 0.463 -0.0173 -0.51 -0.6976 -0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H20 mock treatment 0.498 0.011 0.34 0.482 0.00167 0.05 0.2786 0.8006 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H21 compound treatment 0.498 0.011 0.34 0.484 0.00367 0.11 0.3205 0.8873 3068122 PK04_094157 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3N(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H22 compound treatment 0.52 0.033 1.04 0.508 0.0277 0.82 1.3125 0.9933 3089766 PK04_094158 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4)[C@@H]1OC(=O)Nc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H23 compound treatment 0.513 0.026 0.82 0.489 0.00867 0.26 0.7587 0.8868 3068123 PK04_094159 OCCCOc1ccc(cc1)C2=N[C@@]3(CC=C)[C@@H](O2)c4ccccc4CN(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 H24 compound treatment 0.533 0.046 1.44 0.524 0.0437 1.29 1.9368 0.9985 3089769 PK04_094160 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I01 compound treatment 0.519 0.032 1.0 0.521 0.0407 1.21 1.5626 0.9959 3186651 PK04_094161 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I02 compound treatment 0.497 0.00995 0.31 0.498 0.0177 0.52 0.5916 0.9697 3068124 PK04_094162 COCCCNC(=O)[C@@]1(CC=C)N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I03 compound treatment 0.521 0.034 1.07 0.505 0.0247 0.73 1.2719 0.9829 3186652 PK04_094163 NC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I04 compound treatment 0.499 0.012 0.38 0.471 -0.00933 -0.28 0.0703 0.1507 3068125 PK04_094164 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I05 mock treatment 0.479 -0.00805 -0.25 0.463 -0.0173 -0.51 -0.542 -0.9468 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I06 mock treatment 0.469 -0.018 -0.57 0.468 -0.0123 -0.37 -0.6596 -0.9773 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I07 compound treatment 0.492 0.00495 0.16 0.487 0.00667 0.2 0.2499 0.993 3186653 PK04_094165 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I08 compound treatment 0.493 0.00595 0.19 0.48 -3.28E-4 -0.01 0.1255 0.6695 3068126 PK04_094166 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I09 compound treatment 0.501 0.014 0.44 0.488 0.00767 0.23 0.471 0.9531 3186654 PK04_094167 COCCCNC(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I10 compound treatment 0.508 0.021 0.66 0.492 0.0117 0.35 0.7104 0.9547 3068572 PK04_094168 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I11 compound treatment 0.498 0.011 0.34 0.479 -0.00133 -0.04 0.2157 0.6223 3186655 PK04_094169 COCCCNC(=O)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I12 compound treatment 0.508 0.021 0.66 0.498 0.0177 0.52 0.8361 0.9935 3186656 PK04_094170 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I13 compound treatment 0.516 0.029 0.91 0.51 0.0297 0.88 1.2654 0.9998 3068573 PK04_094171 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I14 compound treatment 0.505 0.018 0.56 0.484 0.00367 0.11 0.4761 0.8282 3186657 PK04_094172 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I15 compound treatment 0.507 0.02 0.63 0.493 0.0127 0.38 0.7091 0.9699 3068574 PK04_094173 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I16 compound treatment 0.487 -4.69E-5 0.0 0.479 -0.00133 -0.04 -0.0289 -0.7331 3186658 PK04_094174 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I17 compound treatment 0.508 0.021 0.66 0.491 0.0107 0.32 0.6895 0.9435 3186659 PK04_094175 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I18 compound treatment 0.495 0.00795 0.25 0.48 -3.28E-4 -0.01 0.17 0.6791 3068575 PK04_094176 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I19 compound treatment 0.48 -0.00705 -0.22 0.472 -0.00833 -0.25 -0.3312 -0.9986 3186660 PK04_094177 CN(C)C(=O)[C@]1(CCC(=O)OC(C)(C)C)N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I20 compound treatment 0.495 0.00795 0.25 0.486 0.00567 0.17 0.2957 0.9813 3068577 PK04_094178 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I21 mock treatment 0.477 -0.01 -0.32 0.487 0.00667 0.2 -0.0836 -0.2243 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I22 mock treatment 0.476 -0.011 -0.35 0.462 -0.0183 -0.54 -0.6296 -0.9767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I23 compound treatment 0.514 0.027 0.85 0.493 0.0127 0.38 0.8648 0.9329 3186661 PK04_094179 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 I24 compound treatment 0.498 0.011 0.34 0.486 0.00567 0.17 0.3624 0.9456 3186662 PK04_094180 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J01 compound treatment 0.526 0.039 1.22 0.52 0.0397 1.18 1.6973 0.9998 3068611 PK04_094181 CN1C(=O)[C@@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J02 compound treatment 0.488 9.53E-4 0.03 0.486 0.00567 0.17 0.14 0.8203 3089770 PK04_094182 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J03 compound treatment 0.491 0.00395 0.12 0.481 6.72E-4 0.02 0.102 0.81 3068612 PK04_094183 OCCCOc1ccc(cc1)C2=N[C@]3(CCS(=O)(=O)c4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J04 compound treatment 0.505 0.018 0.56 0.498 0.0177 0.52 0.7694 0.9993 3001007 PK04_094184 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J05 mock treatment 0.484 -0.00305 -0.1 0.462 -0.0183 -0.54 -0.4518 -0.8192 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J06 mock treatment 0.485 -0.00205 -0.06 0.476 -0.00433 -0.13 -0.1362 -0.9491 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J07 compound treatment 0.497 0.00995 0.31 0.487 0.00667 0.2 0.3611 0.9755 3186665 PK04_094185 CC(C)(C)OC(=O)CC[C@@]12N=C(O[C@H]2c3ccccc3CN(Cc4ccccc4)C1=O)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J08 compound treatment 0.521 0.034 1.07 0.495 0.0147 0.43 1.0623 0.9216 3089771 PK04_094186 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J09 compound treatment 0.547 0.06 1.89 0.533 0.0527 1.56 2.4366 0.9956 3186666 PK04_094187 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4N(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J10 compound treatment 0.527 0.04 1.26 0.509 0.0287 0.85 1.4891 0.9819 3089776 PK04_094188 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccc4OCOc4c3)[C@H]2OC(=O)Nc5ccc6OCOc6c5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J11 compound treatment 0.515 0.028 0.88 0.502 0.0217 0.64 1.0756 0.9881 3068615 PK04_094189 CCCN1C(=O)[C@]2(COC(=N2)c3ccc(OCCCO)cc3)Cc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J12 compound treatment 0.51 0.023 0.72 0.509 0.0287 0.85 1.1111 0.9967 3001011 PK04_094190 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J13 compound treatment 0.484 -0.00305 -0.1 0.489 0.00867 0.26 0.114 0.4155 3068616 PK04_094191 OCCCOc1ccc(cc1)C2=N[C@]3(Cc4ccccc4)[C@H](O2)c5ccccc5CN(C(=O)c6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J14 compound treatment 0.502 0.015 0.47 0.488 0.00767 0.23 0.4932 0.9444 3089772 PK04_094192 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H]1OC(=O)Nc5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J15 compound treatment 0.531 0.044 1.38 0.502 0.0217 0.64 1.4313 0.9392 3068617 PK04_094193 OCCCOc1ccc(cc1)C2=N[C@@]3(Cc4ccccc4CN(C(=O)c5ccccc5)C3=O)[C@@H](O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J16 compound treatment 0.516 0.029 0.91 0.482 0.00167 0.05 0.6788 0.7445 3089773 PK04_094194 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J17 compound treatment 0.509 0.022 0.69 0.496 0.0157 0.46 0.8165 0.9814 3186732 PK04_094195 CN1C(=O)[C@]2(CCS(=O)(=O)c3ccccc3)N=C(O[C@@H]2c4ccccc14)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J18 compound treatment 0.522 0.035 1.1 0.513 0.0327 0.97 1.4617 0.998 3089774 PK04_094196 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J19 compound treatment 0.54 0.053 1.67 0.517 0.0367 1.09 1.9457 0.9786 3186733 PK04_094197 CCCN1C(=O)[C@@]2(Cc3ccccc13)N=C(O[C@H]2c4ccccc4)c5ccc(OCCCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J20 compound treatment 0.516 0.029 0.91 0.515 0.0347 1.03 1.3702 0.9982 3089775 PK04_094198 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccc5OCOc5c4)[C@@H]1OC(=O)Nc6ccc7OCOc7c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J21 mock treatment 0.489 0.00195 0.06 0.477 -0.00333 -0.1 -0.0263 -0.2264 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J22 mock treatment 0.511 0.024 0.75 0.481 6.72E-4 0.02 0.5466 0.7255 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J23 compound treatment 0.495 0.00795 0.25 0.484 0.00367 0.11 0.2538 0.9305 3068619 PK04_094199 COC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 J24 compound treatment 0.564 0.077 2.42 0.561 0.0807 2.39 3.4013 1.0 3089828 PK04_094200 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K01 compound treatment 0.558 0.071 2.23 0.543 0.0627 1.86 2.8907 0.9958 3068620 PK04_094201 COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K02 compound treatment 0.493 0.00595 0.19 0.487 0.00667 0.2 0.2722 0.9996 3186736 PK04_094202 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K03 compound treatment 0.497 0.00995 0.31 0.485 0.00467 0.14 0.3192 0.9327 3186737 PK04_094203 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K04 compound treatment 0.486 -0.00105 -0.03 0.482 0.00167 0.05 0.0118 0.1976 3068660 PK04_094204 CN(C)C(=O)[C@@]1(CCC(=O)OC(C)(C)C)N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K05 compound treatment 0.491 0.00395 0.12 0.495 0.0147 0.43 0.3953 0.8742 3186738 PK04_094205 OCCCOc1ccc(cc1)C2=N[C@@](CCS(=O)(=O)c3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K06 compound treatment 0.496 0.00895 0.28 0.491 0.0107 0.32 0.4227 0.9983 3068661 PK04_094206 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)(CO2)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K07 mock treatment 0.474 -0.013 -0.41 0.469 -0.0113 -0.34 -0.5274 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K08 mock treatment 0.498 0.011 0.34 0.477 -0.00333 -0.1 0.1738 0.4851 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K09 compound treatment 0.493 0.00595 0.19 0.488 0.00767 0.23 0.2931 0.9953 3186739 PK04_094207 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K10 compound treatment 0.518 0.031 0.97 0.487 0.00667 0.2 0.828 0.8337 3186740 PK04_094208 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K11 compound treatment 0.51 0.023 0.72 0.496 0.0157 0.46 0.8387 0.9773 3068664 PK04_094209 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K12 compound treatment 0.495 0.00795 0.25 0.498 0.0177 0.52 0.5471 0.9428 3186741 PK04_094210 COCCCNC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K13 compound treatment 0.501 0.014 0.44 0.497 0.0167 0.49 0.6596 0.9982 3068666 PK04_094211 CN(C)C(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K14 compound treatment 0.523 0.036 1.13 0.508 0.0277 0.82 1.3792 0.9876 3186742 PK04_094212 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K15 mock treatment 0.496 0.00895 0.28 0.491 0.0107 0.32 0.4227 0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K16 mock treatment 0.492 0.00495 0.16 0.478 -0.00233 -0.07 0.0613 0.3601 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K17 compound treatment 0.518 0.031 0.97 0.503 0.0227 0.67 1.1632 0.9836 3186743 PK04_094213 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K18 compound treatment 0.509 0.022 0.69 0.492 0.0117 0.35 0.7327 0.9489 3068667 PK04_094214 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K19 compound treatment 0.5 0.013 0.41 0.492 0.0117 0.35 0.5326 0.9967 3186744 PK04_094215 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K20 compound treatment 0.521 0.034 1.07 0.501 0.0207 0.61 1.188 0.9652 3186745 PK04_094216 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K21 compound treatment 0.484 -0.00305 -0.1 0.49 0.00967 0.29 0.1349 0.4464 3068668 PK04_094217 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K22 compound treatment 0.503 0.016 0.5 0.481 6.72E-4 0.02 0.3688 0.7346 3186746 PK04_094218 CN(C)C(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K23 mock treatment 0.495 0.00795 0.25 0.481 6.72E-4 0.02 0.1909 0.761 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 K24 mock treatment 0.507 0.02 0.63 0.491 0.0107 0.32 0.6672 0.9497 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L01 compound treatment 0.511 0.024 0.75 0.504 0.0237 0.7 1.0286 0.9994 3068669 PK04_094219 CCOC(=O)N1C(N=C(N1C(=O)OCC)c2ccc(OCCCO)cc2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L02 compound treatment 0.552 0.065 2.04 0.551 0.0707 2.09 2.9249 0.9999 3001020 PK04_094220 CCc1cccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3c4ccccc4)[C@H]2OC(=O)Nc5ccccc5c6ccccc6)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L03 compound treatment 0.475 -0.012 -0.38 0.464 -0.0163 -0.48 -0.61 -0.9927 3068670 PK04_094221 COCCCNC(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L04 compound treatment 0.524 0.037 1.16 0.518 0.0377 1.12 1.6109 0.9998 3089829 PK04_094222 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L05 compound treatment 0.466 -0.021 -0.66 0.475 -0.00533 -0.16 -0.5796 -0.8519 3186813 PK04_094223 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L06 compound treatment 0.516 0.029 0.91 0.5 0.0197 0.58 1.0559 0.9768 3001022 PK04_094224 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L07 mock treatment 0.471 -0.016 -0.5 0.475 -0.00533 -0.16 -0.4684 -0.886 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L08 mock treatment 0.481 -0.00605 -0.19 0.484 0.00367 0.11 -0.0575 -0.2625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L09 compound treatment 0.521 0.034 1.07 0.5 0.0197 0.58 1.1671 0.9595 3067926 PK04_094225 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L10 compound treatment 0.517 0.03 0.94 0.519 0.0387 1.15 1.4763 0.9953 3089768 PK04_094226 CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L11 compound treatment 0.493 0.00595 0.19 0.488 0.00767 0.23 0.2931 0.9953 3186815 PK04_094227 COC(=O)[C@]1(CO)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L12 compound treatment 0.501 0.014 0.44 0.505 0.0247 0.73 0.8272 0.9702 3089830 PK04_094228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(cc2)C(F)(F)F)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L13 compound treatment 0.5 0.013 0.41 0.493 0.0127 0.38 0.5535 0.9992 3067927 PK04_094229 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L14 compound treatment 0.51 0.023 0.72 0.506 0.0257 0.76 1.0482 0.9997 3089831 PK04_094230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2c(C)cccc2OC)[C@H](OC(=O)Nc3ccccc3c4ccccc4)[C@@H]1OC(=O)Nc5ccccc5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L15 mock treatment 0.492 0.00495 0.16 0.488 0.00767 0.23 0.2709 0.983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L16 mock treatment 0.493 0.00595 0.19 0.486 0.00567 0.17 0.2512 0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L17 compound treatment 0.508 0.021 0.66 0.504 0.0237 0.7 0.9619 0.9995 3067928 PK04_094231 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L18 compound treatment 0.512 0.025 0.78 0.508 0.0277 0.82 1.1346 0.9998 3001180 PK04_094232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L19 compound treatment 0.483 -0.00405 -0.13 0.478 -0.00233 -0.07 -0.1388 -0.9586 3067929 PK04_094233 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L20 compound treatment 0.53 0.043 1.35 0.54 0.0597 1.77 2.2053 0.9912 3001092 PK04_094234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2c3ccccc3)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L21 compound treatment 0.461 -0.026 -0.82 0.458 -0.0223 -0.66 -1.047 -0.9944 3067930 PK04_094235 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L22 compound treatment 0.517 0.03 0.94 0.506 0.0257 0.76 1.2039 0.9944 3001093 PK04_094236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@@H]1OC(=O)Nc6ccccc6c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L23 mock treatment 0.479 -0.00805 -0.25 0.476 -0.00433 -0.13 -0.2696 -0.9504 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 L24 mock treatment 0.506 0.019 0.6 0.496 0.0157 0.46 0.7498 0.9924 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M01 compound treatment 0.554 0.067 2.11 0.546 0.0657 1.95 2.8646 0.9992 3067931 PK04_094237 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M02 compound treatment 0.528 0.041 1.29 0.522 0.0417 1.23 1.7837 0.9998 3186821 PK04_094238 COCCCNC(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M03 compound treatment 0.504 0.017 0.53 0.501 0.0207 0.61 0.8101 0.9976 3067933 PK04_094239 NC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M04 compound treatment 0.509 0.022 0.69 0.5 0.0197 0.58 0.9003 0.9965 3186822 PK04_094240 CC(C)(C)OC(=O)CC[C@@]1(COC(=N1)c2ccc(OCCCO)cc2)C(=O)NCCN3CCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M05 compound treatment 0.504 0.017 0.53 0.49 0.00967 0.29 0.5796 0.9576 3067934 PK04_094241 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)(CO2)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M06 compound treatment 0.491 0.00395 0.12 0.488 0.00767 0.23 0.2486 0.9597 3186823 PK04_094242 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M07 compound treatment 0.538 0.051 1.6 0.505 0.0247 0.73 1.6498 0.9368 3186824 PK04_094243 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M08 compound treatment 0.555 0.068 2.14 0.533 0.0527 1.56 2.6145 0.9881 3186825 PK04_094244 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M09 mock treatment 0.504 0.017 0.53 0.495 0.0147 0.43 0.6843 0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M10 mock treatment 0.492 0.00495 0.16 0.493 0.0127 0.38 0.3756 0.9241 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M11 compound treatment 0.533 0.046 1.44 0.528 0.0477 1.41 2.0206 0.9999 3067981 PK04_094245 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M12 compound treatment 0.48 -0.00705 -0.22 0.466 -0.0143 -0.42 -0.4569 -0.954 3186826 PK04_094246 NC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M13 mock treatment 0.48 -0.00705 -0.22 0.474 -0.00633 -0.19 -0.2893 -0.9966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M14 mock treatment 0.502 0.015 0.47 0.484 0.00367 0.11 0.4094 0.8483 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M15 compound treatment 0.561 0.074 2.33 0.553 0.0727 2.15 3.1669 0.9993 3067982 PK04_094247 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M16 compound treatment 0.516 0.029 0.91 0.508 0.0277 0.82 1.2235 0.9986 3186827 PK04_094248 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M17 compound treatment 0.518 0.031 0.97 0.514 0.0337 1.0 1.3937 0.9999 3067983 PK04_094249 CN(C)C(=O)[C@]1(Cc2ccccc2)N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M18 compound treatment 0.535 0.048 1.51 0.53 0.0497 1.47 2.1069 0.9999 3186828 PK04_094250 NC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@@H]1c3ccccc3CN=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M19 compound treatment 0.512 0.025 0.78 0.52 0.0397 1.18 1.386 0.9807 3186829 PK04_094251 CN(C)C(=O)[C@]1(CC=C)N=C(O[C@@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M20 compound treatment 0.515 0.028 0.88 0.52 0.0397 1.18 1.4527 0.9897 3067984 PK04_094252 NC(=O)[C@@]1(Cc2ccccc2)N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M21 compound treatment 0.492 0.00495 0.16 0.494 0.0137 0.41 0.3966 0.9137 3186907 PK04_094253 OCCCOc1ccc(cc1)C2=N[C@](CCS(=O)(=O)c3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M22 compound treatment 0.522 0.035 1.1 0.512 0.0317 0.94 1.4408 0.9969 3067985 PK04_094254 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M23 compound treatment 0.537 0.05 1.57 0.528 0.0477 1.41 2.1095 0.9986 3186908 PK04_094255 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 M24 compound treatment 0.54 0.053 1.67 0.531 0.0507 1.5 2.2391 0.9987 3186909 PK04_094256 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N01 compound treatment 0.511 0.024 0.75 0.505 0.0247 0.73 1.0495 0.9999 3067986 PK04_094257 OCCCOc1ccc(cc1)C2=NC(ON2c3ccccc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N02 compound treatment 0.513 0.026 0.82 0.495 0.0147 0.43 0.8845 0.9565 3186910 PK04_094258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N03 compound treatment 0.503 0.016 0.5 0.497 0.0167 0.49 0.704 1.0 3067987 PK04_094259 CN(C)C(=O)C1ON(C(=N1)c2ccc(OCCCO)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N04 compound treatment 0.49 0.00295 0.09 0.5 0.0197 0.58 0.4778 0.8095 3186911 PK04_094260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N05 compound treatment 0.475 -0.012 -0.38 0.474 -0.00633 -0.19 -0.4004 -0.9474 3414052 PK04_094261 COC(=O)[C@@H]1N=C(O[C@@H]1C)c2ccc(OCCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N06 compound treatment 0.494 0.00695 0.22 0.488 0.00767 0.23 0.3153 0.9998 3186912 PK04_094262 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N07 compound treatment 0.501 0.014 0.44 0.492 0.0117 0.35 0.5548 0.9931 3186913 PK04_094263 OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N08 compound treatment 0.506 0.019 0.6 0.496 0.0157 0.46 0.7498 0.9924 1952953 PK04_094264 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N09 mock treatment 0.488 9.53E-4 0.03 0.47 -0.0103 -0.31 -0.1952 -0.6348 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N10 mock treatment 0.494 0.00695 0.22 0.485 0.00467 0.14 0.2525 0.9757 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N11 compound treatment 0.486 -0.00105 -0.03 0.474 -0.00633 -0.19 -0.1559 -0.8187 3068027 PK04_094265 CC(=O)OC[C@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N12 compound treatment 0.521 0.034 1.07 0.511 0.0307 0.91 1.3976 0.9968 3186914 PK04_094266 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N13 mock treatment 0.472 -0.015 -0.47 0.486 0.00567 0.17 -0.2157 -0.4296 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N14 mock treatment 0.475 -0.012 -0.38 0.473 -0.00733 -0.22 -0.4214 -0.9651 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N15 compound treatment 0.485 -0.00205 -0.06 0.481 6.72E-4 0.02 -0.0314 -0.4666 3068028 PK04_094267 CC(=O)OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N16 compound treatment 0.53 0.043 1.35 0.526 0.0457 1.35 1.912 1.0 3186915 PK04_094268 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N17 compound treatment 0.488 9.53E-4 0.03 0.48 -3.28E-4 -0.01 0.0143 0.4544 3068029 PK04_094269 CC(=O)OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N18 compound treatment 0.532 0.045 1.41 0.529 0.0487 1.44 2.0193 0.9999 1952947 PK04_094270 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@@H](Cc5ccccc5)C/C=C/C[C@H](Cc6ccccc6)C(=O)O[C@@H]14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N19 compound treatment 0.48 -0.00705 -0.22 0.471 -0.00933 -0.28 -0.3521 -0.994 3068030 PK04_094271 OC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N20 compound treatment 0.543 0.056 1.76 0.533 0.0527 1.56 2.3477 0.9982 3186916 PK04_094272 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N21 compound treatment 0.489 0.00195 0.06 0.497 0.0167 0.49 0.3927 0.7889 3068031 PK04_094273 CC(=O)OC[C@@H](C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N22 compound treatment 0.547 0.06 1.89 0.539 0.0587 1.74 2.5623 0.9992 1952944 PK04_094274 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccccc4)C/C=C/C[C@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N23 compound treatment 0.492 0.00495 0.16 0.49 0.00967 0.29 0.3128 0.9589 3186917 PK04_094275 CC(=O)OC[C@H](C=C)N(Cc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 N24 compound treatment 0.581 0.094 2.95 0.58 0.0997 2.95 4.1773 1.0 3413982 PK04_094276 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O01 compound treatment 0.567 0.08 2.51 0.568 0.0877 2.6 3.6146 0.9999 3068032 PK04_094277 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4N=[N+]=[N-])C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O02 compound treatment 0.527 0.04 1.26 0.511 0.0307 0.91 1.531 0.9874 3186919 PK04_094278 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O03 compound treatment 0.493 0.00595 0.19 0.487 0.00667 0.2 0.2722 0.9996 3068033 PK04_094279 NC(=O)[C@@]1(CC=C)COC(=N1)c2ccc(OCCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O04 compound treatment 0.505 0.018 0.56 0.497 0.0167 0.49 0.7485 0.9978 3186920 PK04_094280 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O05 compound treatment 0.521 0.034 1.07 0.503 0.0227 0.67 1.2299 0.9751 3068035 PK04_094281 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3CN=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O06 compound treatment 0.515 0.028 0.88 0.504 0.0237 0.7 1.1175 0.9938 3186921 PK04_094282 CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(=N1)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O07 compound treatment 0.536 0.049 1.54 0.519 0.0387 1.15 1.8987 0.9894 3186922 PK04_094283 CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(O[C@@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O08 compound treatment 0.515 0.028 0.88 0.51 0.0297 0.88 1.2432 1.0 3068037 PK04_094284 CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(=N1)c3ccc(OCCCO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O09 compound treatment 0.522 0.035 1.1 0.507 0.0267 0.79 1.336 0.9869 3186923 PK04_094285 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3)([C@@H](O2)c4ccccc4CN=[N+]=[N-])C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O10 compound treatment 0.543 0.056 1.76 0.527 0.0467 1.38 2.222 0.9929 3068038 PK04_094286 OCCCOc1ccc(cc1)C2=N[C@@](Cc3ccccc3N=[N+]=[N-])([C@@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O11 mock treatment 0.507 0.02 0.63 0.502 0.0217 0.64 0.8977 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O12 mock treatment 0.52 0.033 1.04 0.503 0.0227 0.67 1.2077 0.978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O13 compound treatment 0.502 0.015 0.47 0.491 0.0107 0.32 0.5561 0.9814 3186924 PK04_094287 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O14 compound treatment 0.554 0.067 2.11 0.534 0.0537 1.59 2.6132 0.9904 3186925 PK04_094288 CC(C)(C)OC(=O)CC[C@@]1(N=C(O[C@H]1c2ccccc2CN=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O15 compound treatment 0.535 0.048 1.51 0.532 0.0517 1.53 2.1488 1.0 3187013 PK04_094289 CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2N=[N+]=[N-])c3ccc(OCCCO)cc3)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O16 compound treatment 0.533 0.046 1.44 0.514 0.0337 1.0 1.7272 0.9837 3068077 PK04_094290 OCCCOc1ccc(cc1)C2=N[C@@](CC=C)([C@@H](O2)c3ccccc3CN=[N+]=[N-])C(=O)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O17 compound treatment 0.55 0.063 1.98 0.544 0.0637 1.89 2.7338 0.9997 3187014 PK04_094291 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)NCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O18 compound treatment 0.545 0.058 1.82 0.529 0.0487 1.44 2.3083 0.9933 3187015 PK04_094292 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O19 compound treatment 0.507 0.02 0.63 0.503 0.0227 0.67 0.9187 0.9994 3068081 PK04_094293 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])(CO2)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O20 compound treatment 0.541 0.054 1.7 0.531 0.0507 1.5 2.2613 0.9981 3187016 PK04_094294 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3CN=[N+]=[N-])(CO2)C(=O)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O21 compound treatment 0.525 0.038 1.19 0.521 0.0407 1.21 1.696 1.0 3187017 PK04_094295 COCCCNC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(O[C@H]1c3ccccc3)c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O22 compound treatment 0.533 0.046 1.44 0.528 0.0477 1.41 2.0206 0.9999 3068083 PK04_094296 COCCCNC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(O[C@H]1c3ccccc3N=[N+]=[N-])c4ccc(OCCCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O23 compound treatment 0.551 0.064 2.01 0.544 0.0637 1.89 2.756 0.9995 3187018 PK04_094297 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3N=[N+]=[N-])([C@H](O2)c4ccccc4)C(=O)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 O24 compound treatment 0.559 0.072 2.26 0.559 0.0787 2.33 3.2482 0.9999 3068084 PK04_094298 OCCCOc1ccc(cc1)C2=N[C@](CC=C)([C@H](O2)c3ccccc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P01 compound treatment 0.518 0.031 0.97 0.55 0.0697 2.06 2.148 0.9411 3187019 PK04_094299 CC(=O)OC[C@H](C=C)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P02 compound treatment 0.55 0.063 1.98 0.539 0.0587 1.74 2.629 0.9979 3413984 PK04_094300 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P03 compound treatment 0.498 0.011 0.34 0.505 0.0247 0.73 0.7605 0.941 3068086 PK04_094301 COc1ccc(CN([C@H](CO)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P04 compound treatment 1.142 0.655 20.59 1.099 0.619 18.33 27.525 0.9983 3413986 PK04_094302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P05 compound treatment 0.521 0.034 1.07 0.517 0.0367 1.09 1.5233 1.0 3068087 PK04_094303 COc1cc(CN([C@@H](COC(=O)C)C=C)S(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P06 compound treatment 0.552 0.065 2.04 0.563 0.0827 2.45 3.1764 0.9959 1952975 PK04_094304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P07 compound treatment 0.503 0.016 0.5 0.502 0.0217 0.64 0.8088 0.9925 3068088 PK04_094305 OCCCNS(=O)(=O)c1ccc(Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P08 compound treatment 0.547 0.06 1.89 0.536 0.0557 1.65 2.4995 0.9978 3413993 PK04_094306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4ccccc4)C/C=C/C[C@@H](Cc5ccccc5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P09 compound treatment 0.514 0.027 0.85 0.501 0.0207 0.61 1.0324 0.9873 3068089 PK04_094307 CC[Si](CC)(CC)OC[C@@H](C=C)N(Cc1ccc(OC(=O)C)c(OC)c1)S(=O)(=O)c2ccc(Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P10 compound treatment 0.602 0.115 3.61 0.588 0.108 3.19 4.8119 0.9981 1952969 PK04_094308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5ccccc5)C/C=C/C[C@@H](Cc6ccccc6)C(=O)O[C@@H]14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P11 mock treatment 0.504 0.017 0.53 0.494 0.0137 0.41 0.6634 0.9908 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P12 mock treatment 0.509 0.022 0.69 0.509 0.0287 0.85 1.0889 0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P13 compound treatment 0.518 0.031 0.97 0.519 0.0387 1.15 1.4985 0.9967 3068090 PK04_094309 COc1cc(CO)ccc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P14 compound treatment 0.518 0.031 0.97 0.51 0.0297 0.88 1.3099 0.9987 3068091 PK04_094310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P15 compound treatment 0.523 0.036 1.13 0.515 0.0347 1.03 1.5258 0.9989 3187025 PK04_094311 COc1ccc(CN(C2=CC[C@@]3(C(=O)N)C(=O)C(=C(Cl)C(=O)[C@]3(C2)C#N)Cl)S(=O)(=O)c4ccc(Br)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P16 compound treatment 0.545 0.058 1.82 0.534 0.0537 1.59 2.4131 0.9977 3187026 PK04_094312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P17 compound treatment 0.542 0.055 1.73 0.525 0.0447 1.32 2.1578 0.9913 3068092 PK04_094313 CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=C(Br)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P18 compound treatment 0.549 0.062 1.95 0.54 0.0597 1.77 2.6277 0.9988 3187027 PK04_094314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P19 compound treatment 0.519 0.032 1.0 0.5 0.0197 0.58 1.1226 0.9665 1003211 PK04_094315 CNS(=O)(=O)c1ccc(C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P20 compound treatment 0.585 0.098 3.08 0.584 0.104 3.07 4.3501 1.0 3187028 PK04_094316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P21 compound treatment 0.561 0.074 2.33 0.556 0.0757 2.24 3.2298 0.9998 3068127 PK04_094317 COc1cc(COC(=O)C)ccc1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P22 compound treatment 0.582 0.095 2.99 0.567 0.0867 2.57 3.9272 0.9972 3187029 PK04_094318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@@H](Cc4ccc5ccccc5c4)C/C=C/C[C@H](Cc6ccc7ccccc7c6)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P23 compound treatment 0.527 0.04 1.26 0.508 0.0277 0.82 1.4681 0.9786 3068129 PK04_094319 OC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2094 P24 compound treatment 0.564 0.077 2.42 0.566 0.0857 2.54 3.506 0.9997 3413981 PK04_094320 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A01 compound treatment 0.518 0.0354 1.11 0.521 0.0453 1.34 1.7373 0.9956 3067957 PK04_095001 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A02 compound treatment 0.501 0.0184 0.58 0.505 0.0293 0.87 1.0241 0.9804 3187176 PK04_095002 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A03 compound treatment 0.517 0.0344 1.08 0.502 0.0263 0.78 1.317 0.9872 3067577 PK04_095003 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A04 compound treatment 1.33 0.847 26.65 0.491 0.0153 0.45 19.1626 0.7191 3187436 PK04_095004 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A05 compound treatment 0.529 0.0464 1.46 0.533 0.0573 1.7 2.2333 0.9971 3186425 PK04_095005 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6I)c7ccc(cc7)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A06 compound treatment 0.489 0.00641 0.2 0.48 0.00434 0.13 0.2334 0.9766 3187069 PK04_095006 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A07 compound treatment 0.508 0.0254 0.8 0.505 0.0293 0.87 1.1797 0.9991 3187427 PK04_095007 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A08 compound treatment 0.493 0.0104 0.33 0.482 0.00634 0.19 0.3643 0.9654 3187515 PK04_095008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc6)c7ccc(cc7)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A09 compound treatment 0.5 0.0174 0.55 0.518 0.0423 1.25 1.2742 0.9308 3187425 PK04_095009 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A10 compound treatment 0.488 0.00541 0.17 0.5 0.0243 0.72 0.6303 0.8504 3068592 PK04_095010 CCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A11 compound treatment 0.506 0.0234 0.74 0.52 0.0443 1.31 1.4495 0.9625 3187517 PK04_095011 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A12 compound treatment 0.501 0.0184 0.58 0.504 0.0283 0.84 1.0031 0.9835 3187344 PK04_095012 COCCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A13 mock treatment 0.501 0.0184 0.58 0.486 0.0103 0.31 0.626 0.9558 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A14 mock treatment 0.474 -0.00859 -0.27 0.499 0.0233 0.69 0.298 0.4013 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A15 compound treatment 0.508 0.0254 0.8 0.499 0.0233 0.69 1.054 0.9974 3186552 PK04_095013 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A16 compound treatment 0.486 0.00341 0.11 0.48 0.00434 0.13 0.1667 0.9958 3187439 PK04_095014 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A17 compound treatment 0.514 0.0314 0.99 0.494 0.0183 0.54 1.0826 0.9604 3187073 PK04_095015 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A18 compound treatment 0.5 0.0174 0.55 0.482 0.00634 0.19 0.5199 0.8985 3187272 PK04_095016 COCCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A19 compound treatment 0.481 -0.00159 -0.05 0.447 -0.0287 -0.85 -0.6359 -0.7475 3187508 PK04_095017 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NC3CC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A20 compound treatment 0.5 0.0174 0.55 0.479 0.00334 0.1 0.4571 0.8218 3186432 PK04_095018 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A21 compound treatment 0.492 0.00941 0.3 0.48 0.00434 0.13 0.3002 0.9305 3068646 PK04_095019 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A22 compound treatment 0.473 -0.00959 -0.3 0.478 0.00234 0.07 -0.1642 -0.5304 3068651 PK04_095020 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A23 compound treatment 0.48 -0.00259 -0.08 0.392 -0.0837 -2.48 -1.8105 -0.73 3187585 PK04_095021 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 A24 compound treatment 0.489 0.00641 0.2 0.469 -0.00666 -0.2 0.003 0.0105 3187430 PK04_095022 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B01 compound treatment 0.522 0.0394 1.24 0.52 0.0443 1.31 1.8053 0.9996 3187519 PK04_095023 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B02 compound treatment 0.478 -0.00459 -0.14 0.478 0.00234 0.07 -0.053 -0.3309 3186885 PK04_095024 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B03 compound treatment 0.479 -0.00359 -0.11 0.483 0.00734 0.22 0.074 0.3017 3187435 PK04_095025 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B04 compound treatment 0.469 -0.0136 -0.43 0.458 -0.0177 -0.52 -0.6722 -0.995 3186491 PK04_095026 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B05 compound treatment 0.486 0.00341 0.11 0.47 -0.00566 -0.17 -0.0428 -0.2151 3068539 PK04_095027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(F)cc(c4)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B06 compound treatment 0.475 -0.00759 -0.24 0.47 -0.00566 -0.17 -0.2874 -0.985 3186559 PK04_095028 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B07 compound treatment 0.493 0.0104 0.33 0.475 -6.56E-4 -0.02 0.2176 0.6639 3068561 PK04_095029 CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B08 compound treatment 0.496 0.0134 0.42 0.496 0.0203 0.6 0.7243 0.9847 3068322 PK04_095030 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B09 compound treatment 0.5 0.0174 0.55 0.516 0.0403 1.2 1.2323 0.9373 3187432 PK04_095031 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B10 compound treatment 0.486 0.00341 0.11 0.493 0.0173 0.51 0.4391 0.8365 3068145 PK04_095032 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(F)(F)F)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B11 compound treatment 0.486 0.00341 0.11 0.487 0.0113 0.34 0.3134 0.8884 3187265 PK04_095033 CC(C)N1[C@H]([C@H](C(=O)NCCCN(C)C)c2ccccc2C1=O)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B12 compound treatment 0.485 0.00241 0.08 0.481 0.00534 0.16 0.1655 0.9429 3186629 PK04_095034 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B13 mock treatment 0.473 -0.00959 -0.3 0.484 0.00834 0.25 -0.0385 -0.0987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B14 mock treatment 0.479 -0.00359 -0.11 0.47 -0.00566 -0.17 -0.1984 -0.9816 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B15 compound treatment 0.497 0.0144 0.45 0.491 0.0153 0.45 0.6418 1.0 3187269 PK04_095035 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3CCCCC3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B16 compound treatment 0.488 0.00541 0.17 0.491 0.0153 0.45 0.4417 0.91 3186887 PK04_095036 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B17 compound treatment 0.493 0.0104 0.33 0.478 0.00234 0.07 0.2805 0.8385 3068417 PK04_095037 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B18 compound treatment 0.483 4.06E-4 0.01 0.475 -6.56E-4 -0.02 -0.0047 -0.2028 3067610 PK04_095038 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(C7CC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B19 compound treatment 0.482 -5.94E-4 -0.02 0.496 0.0203 0.6 0.4131 0.6849 3068639 PK04_095039 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B20 compound treatment 0.457 -0.0256 -0.8 0.417 -0.0587 -1.74 -1.7981 -0.9388 3068006 PK04_095040 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B21 compound treatment 0.485 0.00241 0.08 0.491 0.0153 0.45 0.375 0.8136 3068601 PK04_095041 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCc4ccccc4)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B22 compound treatment 0.477 -0.00559 -0.18 0.401 -0.0747 -2.21 -1.6886 -0.7609 3068203 PK04_095042 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5Cl)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B23 compound treatment 0.478 -0.00459 -0.14 0.544 0.0683 2.03 1.3298 0.655 3187355 PK04_095043 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCC(F)(F)F)c4ccccc4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 B24 compound treatment 0.519 0.0364 1.14 0.468 -0.00766 -0.23 0.649 0.5562 3068156 PK04_095044 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C01 compound treatment 0.49 0.00741 0.23 0.5 0.0243 0.72 0.6747 0.8902 3187590 PK04_095045 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C02 compound treatment 0.471 -0.0116 -0.36 0.478 0.00234 0.07 -0.2087 -0.5623 3187180 PK04_095046 CC(C)NC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C03 compound treatment 0.461 -0.0216 -0.68 0.479 0.00334 0.1 -0.4101 -0.5976 3186493 PK04_095047 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C04 compound treatment 0.518 0.0354 1.11 0.51 0.0343 1.02 1.5068 0.999 3186427 PK04_095048 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C05 compound treatment 0.474 -0.00859 -0.27 0.454 -0.0217 -0.64 -0.6448 -0.9261 3187172 PK04_095049 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C06 compound treatment 0.474 -0.00859 -0.27 0.478 0.00234 0.07 -0.142 -0.5088 3187080 PK04_095050 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C07 compound treatment 0.482 -5.94E-4 -0.02 0.469 -0.00666 -0.2 -0.1527 -0.7706 3186988 PK04_095051 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C08 compound treatment 0.485 0.00241 0.08 0.475 -6.56E-4 -0.02 0.0398 0.5088 3068011 PK04_095052 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C09 compound treatment 0.471 -0.0116 -0.36 0.468 -0.00766 -0.23 -0.4182 -0.974 3068498 PK04_095053 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C10 compound treatment 0.515 0.0324 1.02 0.511 0.0353 1.05 1.4611 0.9999 3186550 PK04_095054 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C11 mock treatment 0.488 0.00541 0.17 0.467 -0.00866 -0.26 -0.0612 -0.1988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C12 mock treatment 0.482 -5.94E-4 -0.02 0.463 -0.0127 -0.38 -0.2784 -0.7414 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C13 compound treatment 0.479 -0.00359 -0.11 0.486 0.0103 0.31 0.1368 0.4189 3187361 PK04_095055 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C14 compound treatment 0.483 4.06E-4 0.01 0.497 0.0213 0.63 0.4562 0.7212 3068504 PK04_095056 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C15 mock treatment 0.473 -0.00959 -0.3 0.478 0.00234 0.07 -0.1642 -0.5304 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C16 mock treatment 0.471 -0.0116 -0.36 0.47 -0.00566 -0.17 -0.3763 -0.9378 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C17 compound treatment 0.472 -0.0106 -0.33 0.487 0.0113 0.34 0.0021 0.0045 3067969 PK04_095057 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCCN(C)C)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C18 compound treatment 0.484 0.00141 0.04 0.486 0.0103 0.31 0.248 0.8008 3187359 PK04_095058 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(Cc3ccc(OC(F)(F)F)cc3)C(=O)c4ccccc42)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C19 compound treatment 0.476 -0.00659 -0.21 0.475 -6.56E-4 -0.02 -0.1604 -0.77 3187087 PK04_095059 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C20 compound treatment 0.527 0.0444 1.4 0.525 0.0493 1.46 2.0212 0.9997 3187443 PK04_095060 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C21 compound treatment 0.486 0.00341 0.11 0.485 0.00934 0.28 0.2715 0.9146 3067571 PK04_095061 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C22 compound treatment 0.463 -0.0196 -0.62 0.521 0.0453 1.34 0.5144 0.348 3187181 PK04_095062 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C23 compound treatment 0.483 4.06E-4 0.01 0.468 -0.00766 -0.23 -0.1514 -0.6662 3187509 PK04_095063 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)c4ccc(cc4)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 C24 compound treatment 0.51 0.0274 0.86 0.512 0.0363 1.08 1.3708 0.9939 3068474 PK04_095064 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D01 compound treatment 0.506 0.0234 0.74 0.507 0.0313 0.93 1.1771 0.9934 3068587 PK04_095065 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(CC3(CC4CC5CC(C4)C3)C5)C(=O)c6ccccc26)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D02 compound treatment 0.491 0.00841 0.26 0.491 0.0153 0.45 0.5084 0.9667 3068318 PK04_095066 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D03 compound treatment 0.478 -0.00459 -0.14 0.465 -0.0107 -0.32 -0.3254 -0.9372 3187363 PK04_095067 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D04 compound treatment 0.458 -0.0246 -0.77 0.456 -0.0197 -0.58 -0.9587 -0.9902 3186486 PK04_095068 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CCN7CCOCC7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D05 compound treatment 0.466 -0.0166 -0.52 0.48 0.00434 0.13 -0.2779 -0.5172 3187179 PK04_095069 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(=O)c3ccccc23)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D06 compound treatment 0.427 -0.0556 -1.75 0.43 -0.0457 -1.35 -2.1927 -0.992 3187522 PK04_095070 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D07 compound treatment 0.48 -0.00259 -0.08 0.478 0.00234 0.07 -0.0086 -0.0799 3068515 PK04_095071 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D08 compound treatment 0.475 -0.00759 -0.24 0.474 -0.00166 -0.05 -0.2035 -0.835 3186872 PK04_095072 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D09 compound treatment 0.477 -0.00559 -0.18 0.469 -0.00666 -0.2 -0.2638 -0.9984 3068609 PK04_095073 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D10 compound treatment 0.498 0.0154 0.48 0.486 0.0103 0.31 0.5593 0.9756 3186795 PK04_095074 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D11 mock treatment 0.461 -0.0216 -0.68 0.461 -0.0147 -0.43 -0.7872 -0.9767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D12 mock treatment 0.479 -0.00359 -0.11 0.47 -0.00566 -0.17 -0.1984 -0.9816 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D13 compound treatment 0.477 -0.00559 -0.18 0.464 -0.0117 -0.35 -0.3686 -0.951 3067964 PK04_095075 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D14 compound treatment 0.471 -0.0116 -0.36 0.468 -0.00766 -0.23 -0.4182 -0.974 3068230 PK04_095076 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D15 mock treatment 0.462 -0.0206 -0.65 0.461 -0.0147 -0.43 -0.765 -0.9811 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D16 mock treatment 0.478 -0.00459 -0.14 0.473 -0.00266 -0.08 -0.1578 -0.9592 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D17 compound treatment 0.473 -0.00959 -0.3 0.474 -0.00166 -0.05 -0.248 -0.8115 3068595 PK04_095077 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCc3ccccc3)c4ccccc4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D18 compound treatment 0.462 -0.0206 -0.65 0.467 -0.00866 -0.26 -0.6393 -0.9178 3186982 PK04_095078 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D19 compound treatment 0.471 -0.0116 -0.36 0.452 -0.0237 -0.7 -0.7534 -0.9536 3187440 PK04_095079 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D20 compound treatment 0.503 0.0204 0.64 0.489 0.0133 0.4 0.7333 0.9729 3068415 PK04_095080 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D21 compound treatment 0.456 -0.0266 -0.84 0.462 -0.0137 -0.4 -0.8774 -0.9445 3068596 PK04_095081 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCC(F)(F)F)c3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D22 compound treatment 0.49 0.00741 0.23 0.481 0.00534 0.16 0.2766 0.9823 3186713 PK04_095082 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D23 compound treatment 0.463 -0.0196 -0.62 0.463 -0.0127 -0.38 -0.7008 -0.9717 3187357 PK04_095083 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 D24 compound treatment 0.518 0.0354 1.11 0.521 0.0453 1.34 1.7373 0.9956 3068270 PK04_095084 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCCN6CCOCC6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E01 mock treatment 0.486 0.00341 0.11 0.486 0.0103 0.31 0.2925 0.9008 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E02 mock treatment 0.467 -0.0156 -0.49 0.461 -0.0147 -0.43 -0.6538 -0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E03 compound treatment 0.492 0.00941 0.3 0.488 0.0123 0.37 0.4678 0.9944 3068636 PK04_095085 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E04 compound treatment 0.466 -0.0166 -0.52 0.47 -0.00566 -0.17 -0.4875 -0.8895 3186556 PK04_095086 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E05 compound treatment 0.477 -0.00559 -0.18 0.476 3.44E-4 0.01 -0.1172 -0.665 3187587 PK04_095087 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E06 compound treatment 0.526 0.0434 1.36 0.506 0.0303 0.9 1.6009 0.9795 3186428 PK04_095088 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E07 compound treatment 0.498 0.0154 0.48 0.481 0.00534 0.16 0.4545 0.8918 3187266 PK04_095089 CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E08 compound treatment 0.484 0.00141 0.04 0.478 0.00234 0.07 0.0804 0.9762 3187351 PK04_095090 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E09 mock treatment 0.485 0.00241 0.08 0.471 -0.00466 -0.14 -0.0441 -0.28 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E10 mock treatment 0.483 4.06E-4 0.01 0.466 -0.00966 -0.29 -0.1933 -0.6749 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E11 compound treatment 0.472 -0.0106 -0.33 0.48 0.00434 0.13 -0.1445 -0.4047 3068004 PK04_095091 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E12 compound treatment 0.492 0.00941 0.3 0.478 0.00234 0.07 0.2582 0.85 3186500 PK04_095092 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E13 compound treatment 0.48 -0.00259 -0.08 0.472 -0.00366 -0.11 -0.1343 -0.9902 3187346 PK04_095093 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCN3CCOCC3)c4ccccc4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E14 compound treatment 0.467 -0.0156 -0.49 0.475 -6.56E-4 -0.02 -0.3605 -0.7346 3187262 PK04_095094 CC(C)N1[C@H]([C@H](C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E15 compound treatment 0.521 0.0384 1.21 0.504 0.0283 0.84 1.4478 0.9842 3067574 PK04_095095 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E16 compound treatment 0.473 -0.00959 -0.3 0.476 3.44E-4 0.01 -0.2061 -0.6828 3187350 PK04_095096 COCCCNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E17 mock treatment 0.48 -0.00259 -0.08 0.472 -0.00366 -0.11 -0.1343 -0.9902 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E18 mock treatment 0.476 -0.00659 -0.21 0.469 -0.00666 -0.2 -0.2861 -0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E19 compound treatment 0.474 -0.00859 -0.27 0.47 -0.00566 -0.17 -0.3096 -0.9736 3068657 PK04_095097 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E20 compound treatment 0.476 -0.00659 -0.21 0.478 0.00234 0.07 -0.0975 -0.4459 3068140 PK04_095098 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E21 compound treatment 0.474 -0.00859 -0.27 0.463 -0.0127 -0.38 -0.4563 -0.9871 3186562 PK04_095099 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E22 compound treatment 0.474 -0.00859 -0.27 0.45 -0.0257 -0.76 -0.7286 -0.9031 3187591 PK04_095100 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E23 compound treatment 0.497 0.0144 0.45 0.469 -0.00666 -0.2 0.1808 0.366 3187263 PK04_095101 CC(C)N1[C@H]([C@H](C(=O)NCc2ccccc2)c3ccccc3C1=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 E24 compound treatment 0.492 0.00941 0.3 0.466 -0.00966 -0.29 0.0068 0.0166 3068517 PK04_095102 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F01 mock treatment 0.484 0.00141 0.04 0.497 0.0213 0.63 0.4785 0.7547 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F02 mock treatment 0.493 0.0104 0.33 0.477 0.00134 0.04 0.2595 0.7873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F03 compound treatment 0.496 0.0134 0.42 0.49 0.0143 0.43 0.5986 1.0 3187079 PK04_095103 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F04 compound treatment 0.482 -5.94E-4 -0.02 0.468 -0.00766 -0.23 -0.1736 -0.7627 3068331 PK04_095104 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F05 compound treatment 0.488 0.00541 0.17 0.482 0.00634 0.19 0.2531 0.9987 3068563 PK04_095105 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F06 compound treatment 0.482 -5.94E-4 -0.02 0.479 0.00334 0.1 0.0569 0.5639 3186879 PK04_095106 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCCN6CCOCC6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F07 compound treatment 0.499 0.0164 0.52 0.49 0.0143 0.43 0.6653 0.9954 3187523 PK04_095107 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F08 compound treatment 0.483 4.06E-4 0.01 0.474 -0.00166 -0.05 -0.0257 -0.5062 3186563 PK04_095108 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F09 mock treatment 0.467 -0.0156 -0.49 0.476 3.44E-4 0.01 -0.3395 -0.6923 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F10 mock treatment 0.476 -0.00659 -0.21 0.475 -6.56E-4 -0.02 -0.1604 -0.77 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F11 compound treatment 0.479 -0.00359 -0.11 0.48 0.00434 0.13 0.0111 0.0649 3187257 PK04_095109 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F12 compound treatment 0.518 0.0354 1.11 0.504 0.0283 0.84 1.3811 0.9903 3068241 PK04_095110 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F13 compound treatment 0.496 0.0134 0.42 0.472 -0.00366 -0.11 0.2215 0.5088 3068554 PK04_095111 COCCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F14 compound treatment 0.483 4.06E-4 0.01 0.471 -0.00466 -0.14 -0.0885 -0.6389 3068362 PK04_095112 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3)Sc4ccc(C)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F15 compound treatment 0.49 0.00741 0.23 0.499 0.0233 0.69 0.6538 0.8958 3186423 PK04_095113 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F16 compound treatment 0.496 0.0134 0.42 0.552 0.0763 2.26 1.8977 0.8247 3068012 PK04_095114 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)O)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F17 mock treatment 0.478 -0.00459 -0.14 0.478 0.00234 0.07 -0.053 -0.3309 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F18 mock treatment 0.485 0.00241 0.08 0.48 0.00434 0.13 0.1445 0.9679 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F19 compound treatment 0.487 0.00441 0.14 0.482 0.00634 0.19 0.2309 0.9887 3067568 PK04_095115 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F20 compound treatment 0.509 0.0264 0.83 0.492 0.0163 0.48 0.9296 0.9671 3068266 PK04_095116 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F21 compound treatment 0.486 0.00341 0.11 0.48 0.00434 0.13 0.1667 0.9958 3186419 PK04_095117 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F22 compound treatment 0.515 0.0324 1.02 0.493 0.0173 0.51 1.0839 0.9498 3187524 PK04_095118 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F23 compound treatment 0.471 -0.0116 -0.36 0.457 -0.0187 -0.55 -0.6487 -0.9796 3068017 PK04_095119 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)O)c4ccccc4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 F24 compound treatment 0.499 0.0164 0.52 0.502 0.0263 0.78 0.9167 0.9798 3186554 PK04_095120 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G01 compound treatment 0.51 0.0274 0.86 0.505 0.0293 0.87 1.2242 1.0 3186418 PK04_095121 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G02 compound treatment 0.476 -0.00659 -0.21 0.503 0.0273 0.81 0.4263 0.5097 3067966 PK04_095122 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCCN3CCOCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G03 mock treatment 0.482 -5.94E-4 -0.02 0.498 0.0223 0.66 0.455 0.6869 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G04 mock treatment 0.457 -0.0256 -0.8 0.485 0.00934 0.28 -0.3733 -0.4386 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G05 compound treatment 0.49 0.00741 0.23 0.489 0.0133 0.4 0.4443 0.9681 3068153 PK04_095123 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NC6CC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G06 compound treatment 0.474 -0.00859 -0.27 0.46 -0.0157 -0.46 -0.5191 -0.9669 3187356 PK04_095124 COCCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G07 compound treatment 0.495 0.0124 0.39 0.486 0.0103 0.31 0.4926 0.9929 3187173 PK04_095125 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G08 compound treatment 0.483 4.06E-4 0.01 0.466 -0.00966 -0.29 -0.1933 -0.6749 3068514 PK04_095126 CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G09 compound treatment 0.488 0.00541 0.17 0.477 0.00134 0.04 0.1484 0.8497 3187442 PK04_095127 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G10 compound treatment 0.478 -0.00459 -0.14 0.476 3.44E-4 0.01 -0.0949 -0.6556 3068420 PK04_095128 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G11 compound treatment 0.481 -0.00159 -0.05 0.481 0.00534 0.16 0.0765 0.4608 3187434 PK04_095129 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G12 compound treatment 0.497 0.0144 0.45 0.484 0.00834 0.25 0.4951 0.9594 3186416 PK04_095130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G13 compound treatment 0.486 0.00341 0.11 0.492 0.0163 0.48 0.4182 0.8431 3068507 PK04_095131 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G14 compound treatment 0.473 -0.00959 -0.3 0.477 0.00134 0.04 -0.1852 -0.6085 3187162 PK04_095132 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G15 compound treatment 0.48 -0.00259 -0.08 0.483 0.00734 0.22 0.0962 0.414 3068602 PK04_095133 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G16 compound treatment 0.482 -5.94E-4 -0.02 0.475 -6.56E-4 -0.02 -0.027 -0.9998 3187426 PK04_095134 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G17 compound treatment 0.496 0.0134 0.42 0.478 0.00234 0.07 0.3472 0.8126 3067567 PK04_095135 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G18 compound treatment 0.495 0.0124 0.39 0.484 0.00834 0.25 0.4507 0.9758 3187525 PK04_095136 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G19 mock treatment 0.482 -5.94E-4 -0.02 0.471 -0.00466 -0.14 -0.1108 -0.7955 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G20 mock treatment 0.467 -0.0156 -0.49 0.452 -0.0237 -0.7 -0.8424 -0.9847 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G21 compound treatment 0.486 0.00341 0.11 0.463 -0.0127 -0.38 -0.1894 -0.4857 3187167 PK04_095137 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G22 compound treatment 0.467 -0.0156 -0.49 0.465 -0.0107 -0.32 -0.57 -0.9773 3187174 PK04_095138 COc1ccccc1CN2[C@H]([C@H](C(=O)NC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G23 compound treatment 0.482 -5.94E-4 -0.02 0.48 0.00434 0.13 0.0778 0.5983 3068478 PK04_095139 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 G24 compound treatment 0.491 0.00841 0.26 0.479 0.00334 0.1 0.257 0.9103 3068471 PK04_095140 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H01 compound treatment 0.508 0.0254 0.8 0.505 0.0293 0.87 1.1797 0.9991 3068149 PK04_095141 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H02 compound treatment 0.487 0.00441 0.14 0.495 0.0193 0.57 0.5033 0.8534 3068236 PK04_095142 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H03 mock treatment 0.474 -0.00859 -0.27 0.478 0.00234 0.07 -0.142 -0.5088 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H04 mock treatment 0.487 0.00441 0.14 0.493 0.0173 0.51 0.4614 0.8668 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H05 compound treatment 0.478 -0.00459 -0.14 0.467 -0.00866 -0.26 -0.2835 -0.9631 3187083 PK04_095143 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H06 compound treatment 0.496 0.0134 0.42 0.487 0.0113 0.34 0.5358 0.9937 3068265 PK04_095144 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H07 compound treatment 0.479 -0.00359 -0.11 0.477 0.00134 0.04 -0.0517 -0.4319 3068458 PK04_095145 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H08 compound treatment 0.485 0.00241 0.08 0.474 -0.00166 -0.05 0.0188 0.2084 3068401 PK04_095146 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H09 compound treatment 0.485 0.00241 0.08 0.48 0.00434 0.13 0.1445 0.9679 3187071 PK04_095147 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H10 compound treatment 0.483 4.06E-4 0.01 0.483 0.00734 0.22 0.1629 0.7473 3068139 PK04_095148 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H11 compound treatment 0.472 -0.0106 -0.33 0.467 -0.00866 -0.26 -0.4169 -0.9917 3187589 PK04_095149 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H12 compound treatment 0.482 -5.94E-4 -0.02 0.469 -0.00666 -0.2 -0.1527 -0.7706 3186627 PK04_095150 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H13 compound treatment 0.497 0.0144 0.45 0.483 0.00734 0.22 0.4742 0.9436 3187261 PK04_095151 CC(C)N1[C@H]([C@H](C(=O)NC2CC2)c3ccccc3C1=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H14 compound treatment 0.485 0.00241 0.08 0.491 0.0153 0.45 0.375 0.8136 3186980 PK04_095152 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H15 compound treatment 0.497 0.0144 0.45 0.474 -0.00166 -0.05 0.2856 0.6268 3187166 PK04_095153 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H16 compound treatment 0.493 0.0104 0.33 0.482 0.00634 0.19 0.3643 0.9654 3186978 PK04_095154 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H17 compound treatment 0.486 0.00341 0.11 0.47 -0.00566 -0.17 -0.0428 -0.2151 3187349 PK04_095155 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NCCCN(C)C)c3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H18 compound treatment 0.487 0.00441 0.14 0.474 -0.00166 -0.05 0.0633 0.4304 3068412 PK04_095156 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H19 mock treatment 0.477 -0.00559 -0.18 0.465 -0.0107 -0.32 -0.3476 -0.9618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H20 mock treatment 0.494 0.0114 0.36 0.46 -0.0157 -0.46 -0.0744 -0.1269 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H21 compound treatment 0.468 -0.0146 -0.46 0.465 -0.0107 -0.32 -0.5478 -0.9834 3187512 PK04_095157 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H22 compound treatment 0.511 0.0284 0.89 0.496 0.0203 0.6 1.0578 0.9817 3186806 PK04_095158 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H23 compound treatment 0.479 -0.00359 -0.11 0.47 -0.00566 -0.17 -0.1984 -0.9816 3068599 PK04_095159 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NC4CC4)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 H24 compound treatment 0.506 0.0234 0.74 0.497 0.0213 0.63 0.9676 0.9972 3187586 PK04_095160 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I01 compound treatment 0.515 0.0324 1.02 0.51 0.0343 1.02 1.4401 1.0 3187165 PK04_095161 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccc(OC(F)(F)F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I02 compound treatment 0.485 0.00241 0.08 0.499 0.0233 0.69 0.5426 0.7798 3068418 PK04_095162 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I03 compound treatment 0.484 0.00141 0.04 0.475 -6.56E-4 -0.02 0.0175 0.3626 3187178 PK04_095163 Cc1ccc(nc1)N2[C@H]([C@H](C(=O)NCCN3CCOCC3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I04 compound treatment 0.463 -0.0196 -0.62 0.465 -0.0107 -0.32 -0.6589 -0.9518 3068019 PK04_095164 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I05 mock treatment 0.478 -0.00459 -0.14 0.484 0.00834 0.25 0.0727 0.2538 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I06 mock treatment 0.476 -0.00659 -0.21 0.465 -0.0107 -0.32 -0.3699 -0.9792 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I07 compound treatment 0.499 0.0164 0.52 0.496 0.0203 0.6 0.791 0.997 3068542 PK04_095165 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C3Cc4ccccc4C3)C(=O)c5ccccc25)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I08 compound treatment 0.487 0.00441 0.14 0.474 -0.00166 -0.05 0.0633 0.4304 3187345 PK04_095166 CC(C)CNC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I09 compound treatment 0.503 0.0204 0.64 0.483 0.00734 0.22 0.6076 0.8967 3067971 PK04_095167 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I10 compound treatment 0.485 0.00241 0.08 0.478 0.00234 0.07 0.1026 0.9991 3068641 PK04_095168 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I11 compound treatment 0.492 0.00941 0.3 0.478 0.00234 0.07 0.2582 0.85 3187358 PK04_095169 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I12 compound treatment 0.504 0.0214 0.67 0.48 0.00434 0.13 0.567 0.8273 3068653 PK04_095170 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I13 compound treatment 0.495 0.0124 0.39 0.473 -0.00266 -0.08 0.2202 0.5533 3067962 PK04_095171 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I14 compound treatment 0.498 0.0154 0.48 0.49 0.0143 0.43 0.6431 0.9979 3068606 PK04_095172 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I15 compound treatment 0.484 0.00141 0.04 0.48 0.00434 0.13 0.1223 0.8985 3068476 PK04_095173 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I16 compound treatment 0.494 0.0114 0.36 0.481 0.00534 0.16 0.3656 0.9325 3186417 PK04_095174 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NC4CC4)c5ccc(cc5)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I17 compound treatment 0.49 0.00741 0.23 0.48 0.00434 0.13 0.2557 0.9609 3187268 PK04_095175 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I18 compound treatment 0.481 -0.00159 -0.05 0.459 -0.0167 -0.49 -0.3844 -0.7749 3187264 PK04_095176 CC(C)N1[C@H]([C@H](C(=O)NCC(F)(F)F)c2ccccc2C1=O)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I19 compound treatment 0.487 0.00441 0.14 0.481 0.00534 0.16 0.2099 0.9978 3186499 PK04_095177 COCCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3OC)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I20 compound treatment 0.484 0.00141 0.04 0.468 -0.00766 -0.23 -0.1292 -0.5588 3068422 PK04_095178 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I21 mock treatment 0.485 0.00241 0.08 0.469 -0.00666 -0.2 -0.086 -0.4069 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I22 mock treatment 0.467 -0.0156 -0.49 0.454 -0.0217 -0.64 -0.8005 -0.9912 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I23 compound treatment 0.499 0.0164 0.52 0.487 0.0113 0.34 0.6025 0.9785 3068550 PK04_095179 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(C(C)C)C(=O)c3ccccc23)c4ccc(CO)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 I24 compound treatment 0.497 0.0144 0.45 0.464 -0.0117 -0.35 0.0761 0.1336 3187258 PK04_095180 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4Cc5ccccc5C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J01 compound treatment 0.507 0.0244 0.77 0.509 0.0333 0.99 1.2413 0.9922 3187273 PK04_095181 CC(C)CNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J02 compound treatment 0.479 -0.00359 -0.11 0.48 0.00434 0.13 0.0111 0.0649 3186630 PK04_095182 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J03 compound treatment 0.466 -0.0166 -0.52 0.476 3.44E-4 0.01 -0.3617 -0.6932 3187353 PK04_095183 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(=O)c3ccccc32)c4ccc(C)cn4)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J04 compound treatment 0.481 -0.00159 -0.05 0.471 -0.00466 -0.14 -0.133 -0.906 3187588 PK04_095184 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)O)c3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J05 mock treatment 0.483 4.06E-4 0.01 0.472 -0.00366 -0.11 -0.0676 -0.6194 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J06 mock treatment 0.478 -0.00459 -0.14 0.478 0.00234 0.07 -0.053 -0.3309 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J07 compound treatment 0.495 0.0124 0.39 0.483 0.00734 0.22 0.4297 0.962 3186420 PK04_095185 OCc1ccc([C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c4ccc(cc4)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J08 compound treatment 0.513 0.0304 0.96 0.503 0.0273 0.81 1.249 0.9966 3186722 PK04_095186 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J09 compound treatment 0.541 0.0584 1.84 0.517 0.0413 1.23 2.1649 0.9806 3186426 PK04_095187 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J10 compound treatment 0.488 0.00541 0.17 0.469 -0.00666 -0.2 -0.0193 -0.074 3186639 PK04_095188 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J11 compound treatment 0.501 0.0184 0.58 0.484 0.00834 0.25 0.5841 0.928 3187270 PK04_095189 CC(C)NC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J12 compound treatment 0.496 0.0134 0.42 0.487 0.0113 0.34 0.5358 0.9937 3067980 PK04_095190 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J13 compound treatment 0.511 0.0284 0.89 0.523 0.0473 1.4 1.6236 0.9762 3186421 PK04_095191 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J14 compound treatment 0.478 -0.00459 -0.14 0.478 0.00234 0.07 -0.053 -0.3309 3068150 PK04_095192 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J15 compound treatment 0.495 0.0124 0.39 0.475 -6.56E-4 -0.02 0.2621 0.671 3068598 PK04_095193 CCCNC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J16 compound treatment 0.509 0.0264 0.83 0.489 0.0133 0.4 0.8667 0.9424 3068324 PK04_095194 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J17 compound treatment 0.521 0.0384 1.21 0.486 0.0103 0.31 1.0707 0.8593 3067973 PK04_095195 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J18 compound treatment 0.504 0.0214 0.67 0.477 0.00134 0.04 0.5041 0.7476 3068414 PK04_095196 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J19 compound treatment 0.514 0.0314 0.99 0.5 0.0243 0.72 1.2084 0.9881 3187085 PK04_095197 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J20 compound treatment 0.5 0.0174 0.55 0.478 0.00234 0.07 0.4361 0.7905 3186884 PK04_095198 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J21 mock treatment 0.488 0.00541 0.17 0.471 -0.00466 -0.14 0.0226 0.1034 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J22 mock treatment 0.489 0.00641 0.2 0.455 -0.0207 -0.61 -0.2904 -0.4506 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J23 compound treatment 0.495 0.0124 0.39 0.464 -0.0117 -0.35 0.0316 0.0607 3187082 PK04_095199 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 J24 compound treatment 0.515 0.0324 1.02 0.489 0.0133 0.4 1.0001 0.915 3068227 PK04_095200 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K01 compound treatment 0.532 0.0494 1.55 0.515 0.0393 1.17 1.9229 0.99 3187514 PK04_095201 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NC6CC6)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K02 compound treatment 0.495 0.0124 0.39 0.486 0.0103 0.31 0.4926 0.9929 3187168 PK04_095202 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccc(OC(F)(F)F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K03 compound treatment 0.485 0.00241 0.08 0.479 0.00334 0.1 0.1236 0.9911 3068143 PK04_095203 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC5CC5)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K04 compound treatment 0.505 0.0224 0.7 0.5 0.0243 0.72 1.0082 0.9999 3187275 PK04_095204 CN(C)CCCNC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K05 compound treatment 0.492 0.00941 0.3 0.49 0.0143 0.43 0.5097 0.9843 3187271 PK04_095205 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K06 compound treatment 0.52 0.0374 1.18 0.519 0.0433 1.28 1.7399 0.999 3186561 PK04_095206 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K07 mock treatment 0.484 0.00141 0.04 0.472 -0.00366 -0.11 -0.0453 -0.3875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K08 mock treatment 0.479 -0.00359 -0.11 0.478 0.00234 0.07 -0.0308 -0.2322 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K09 compound treatment 0.492 0.00941 0.3 0.475 -6.56E-4 -0.02 0.1954 0.6592 3068519 PK04_095207 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K10 compound treatment 0.493 0.0104 0.33 0.48 0.00434 0.13 0.3224 0.9169 3068466 PK04_095208 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K11 compound treatment 0.503 0.0204 0.64 0.492 0.0163 0.48 0.7962 0.9904 3068556 PK04_095209 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K12 compound treatment 0.526 0.0434 1.36 0.513 0.0373 1.11 1.7475 0.9946 3067978 PK04_095210 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K13 compound treatment 0.489 0.00641 0.2 0.493 0.0173 0.51 0.5058 0.9164 3068499 PK04_095211 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K14 compound treatment 0.511 0.0284 0.89 0.497 0.0213 0.63 1.0788 0.9857 3068588 PK04_095212 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K15 mock treatment 0.496 0.0134 0.42 0.476 3.44E-4 0.01 0.3053 0.724 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K16 mock treatment 0.496 0.0134 0.42 0.481 0.00534 0.16 0.41 0.9106 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K17 compound treatment 0.502 0.0194 0.61 0.501 0.0253 0.75 0.9625 0.9947 3068009 PK04_095213 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K18 compound treatment 0.541 0.0584 1.84 0.51 0.0343 1.02 2.0182 0.9612 3186498 PK04_095214 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCCN(C)C)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K19 compound treatment 0.483 4.06E-4 0.01 0.46 -0.0157 -0.46 -0.319 -0.6874 3068472 PK04_095215 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K20 compound treatment 0.492 0.00941 0.3 0.471 -0.00466 -0.14 0.1116 0.3419 3187259 PK04_095216 COCCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K21 compound treatment 0.5 0.0174 0.55 0.468 -0.00766 -0.23 0.2266 0.3824 3187078 PK04_095217 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K22 compound treatment 0.49 0.00741 0.23 0.462 -0.0137 -0.4 -0.1215 -0.2602 3068508 PK04_095218 COc1ccccc1CN2[C@H]([C@H](C(=O)NC3CC3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K23 mock treatment 0.489 0.00641 0.2 0.459 -0.0167 -0.49 -0.2066 -0.3875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 K24 mock treatment 0.492 0.00941 0.3 0.48 0.00434 0.13 0.3002 0.9305 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L01 compound treatment 0.516 0.0334 1.05 0.523 0.0473 1.4 1.7347 0.9898 3187175 PK04_095219 COc1ccccc1CN2[C@H]([C@H](C(=O)NCCCN(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L02 compound treatment 0.502 0.0194 0.61 0.492 0.0163 0.48 0.7739 0.9934 3186714 PK04_095220 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L03 compound treatment 0.474 -0.00859 -0.27 0.455 -0.0207 -0.61 -0.6239 -0.9325 3067967 PK04_095221 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCc3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L04 compound treatment 0.452 -0.0306 -0.96 0.458 -0.0177 -0.52 -1.0502 -0.959 3186429 PK04_095222 CC(C)CN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L05 compound treatment 0.482 -5.94E-4 -0.02 0.487 0.0113 0.34 0.2245 0.6668 3068540 PK04_095223 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L06 compound treatment 0.495 0.0124 0.39 0.478 0.00234 0.07 0.3249 0.8201 3186551 PK04_095224 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L07 mock treatment 0.482 -5.94E-4 -0.02 0.462 -0.0137 -0.4 -0.2993 -0.7389 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L08 mock treatment 0.489 0.00641 0.2 0.477 0.00134 0.04 0.1706 0.8308 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L09 compound treatment 0.529 0.0464 1.46 0.529 0.0533 1.58 2.1495 0.9992 3187518 PK04_095225 CN(C)CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L10 compound treatment 0.482 -5.94E-4 -0.02 0.482 0.00634 0.19 0.1197 0.6338 3068144 PK04_095226 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCc5ccccc5)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L11 compound treatment 0.495 0.0124 0.39 0.492 0.0163 0.48 0.6183 0.9942 3187076 PK04_095227 COCCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L12 compound treatment 0.51 0.0274 0.86 0.504 0.0283 0.84 1.2032 0.9999 3068313 PK04_095228 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L13 compound treatment 0.494 0.0114 0.36 0.485 0.00934 0.28 0.4494 0.9918 3187347 PK04_095229 COc1ccc(CCNC(=O)[C@]2(C)[C@@H](N(C(C)C)C(=O)c3ccccc32)c4ccc(CO)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L14 compound treatment 0.482 -5.94E-4 -0.02 0.474 -0.00166 -0.05 -0.0479 -0.9123 3068194 PK04_095230 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(C)C)C4=O)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L15 mock treatment 0.484 0.00141 0.04 0.478 0.00234 0.07 0.0804 0.9762 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L16 mock treatment 0.493 0.0104 0.33 0.482 0.00634 0.19 0.3643 0.9654 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L17 compound treatment 0.48 -0.00259 -0.08 0.479 0.00334 0.1 0.0124 0.0966 3068510 PK04_095231 COc1ccccc1CN2[C@H]([C@H](C(=O)NCc3ccccc3)c4ccccc4C2=O)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L18 compound treatment 0.509 0.0264 0.83 0.498 0.0223 0.66 1.0553 0.9937 3068263 PK04_095232 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C(C)C)[C@@H]2c3ccc(CO)cc3I)Sc4ccc(C)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L19 compound treatment 0.475 -0.00759 -0.24 0.469 -0.00666 -0.2 -0.3083 -0.9955 3067958 PK04_095233 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCCN4CCOCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L20 compound treatment 0.481 -0.00159 -0.05 0.467 -0.00866 -0.26 -0.2168 -0.8296 3068403 PK04_095234 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L21 compound treatment 0.487 0.00441 0.14 0.484 0.00834 0.25 0.2728 0.9625 3187163 PK04_095235 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(F)cc(c3)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L22 compound treatment 0.477 -0.00559 -0.18 0.469 -0.00666 -0.2 -0.2638 -0.9984 3186433 PK04_095236 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L23 mock treatment 0.478 -0.00459 -0.14 0.475 -6.56E-4 -0.02 -0.1159 -0.7951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 L24 mock treatment 0.5 0.0174 0.55 0.488 0.0123 0.37 0.6456 0.9808 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M01 compound treatment 0.523 0.0404 1.27 0.52 0.0443 1.31 1.8275 0.9999 3187444 PK04_095237 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M02 compound treatment 0.49 0.00741 0.23 0.482 0.00634 0.19 0.2976 0.9944 3068593 PK04_095238 CC(C)N1[C@@H](c2ccc(CO)cc2)[C@@](C)(C(=O)NC3CC3)c4ccccc4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M03 compound treatment 0.478 -0.00459 -0.14 0.482 0.00634 0.19 0.0308 0.1298 3187441 PK04_095239 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M04 compound treatment 0.481 -0.00159 -0.05 0.484 0.00834 0.25 0.1394 0.5525 3068649 PK04_095240 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M05 compound treatment 0.534 0.0514 1.62 0.519 0.0433 1.28 2.0511 0.9935 3068152 PK04_095241 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M06 compound treatment 0.491 0.00841 0.26 0.486 0.0103 0.31 0.4036 0.9973 3068655 PK04_095242 C[C@]1([C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M07 compound treatment 0.486 0.00341 0.11 0.481 0.00534 0.16 0.1877 0.9819 3068005 PK04_095243 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M08 compound treatment 0.503 0.0204 0.64 0.485 0.00934 0.28 0.6495 0.9294 3187084 PK04_095244 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M09 mock treatment 0.495 0.0124 0.39 0.487 0.0113 0.34 0.5135 0.9973 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M10 mock treatment 0.504 0.0214 0.67 0.48 0.00434 0.13 0.567 0.8273 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M11 compound treatment 0.55 0.0674 2.12 0.537 0.0613 1.82 2.784 0.9971 3186422 PK04_095245 CCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5I)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M12 compound treatment 0.549 0.0664 2.09 0.528 0.0523 1.55 2.5732 0.9893 3068142 PK04_095246 CN(C)CCCNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(C3CCCCC3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M13 mock treatment 0.489 0.00641 0.2 0.481 0.00534 0.16 0.2544 0.9929 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M14 mock treatment 0.474 -0.00859 -0.27 0.482 0.00634 0.19 -0.0582 -0.1767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M15 compound treatment 0.53 0.0474 1.49 0.515 0.0393 1.17 1.8784 0.9926 3068557 PK04_095247 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2C5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M16 compound treatment 0.511 0.0284 0.89 0.491 0.0153 0.45 0.9531 0.9509 3187170 PK04_095248 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2OC)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M17 compound treatment 0.503 0.0204 0.64 0.497 0.0213 0.63 0.9009 1.0 3187431 PK04_095249 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M18 compound treatment 0.515 0.0324 1.02 0.508 0.0323 0.96 1.3982 0.9995 3187074 PK04_095250 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M19 compound treatment 0.494 0.0114 0.36 0.494 0.0183 0.54 0.638 0.9796 3068552 PK04_095251 CC(C)NC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M20 compound treatment 0.484 0.00141 0.04 0.494 0.0183 0.54 0.4156 0.7621 3068014 PK04_095252 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)O)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M21 compound treatment 0.505 0.0224 0.7 0.484 0.00834 0.25 0.673 0.9014 3187086 PK04_095253 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M22 compound treatment 0.52 0.0374 1.18 0.507 0.0313 0.93 1.4884 0.9932 3187428 PK04_095254 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NC5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M23 compound treatment 0.518 0.0354 1.11 0.496 0.0203 0.6 1.2135 0.9585 3187081 PK04_095255 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 M24 compound treatment 0.516 0.0334 1.05 0.504 0.0283 0.84 1.3366 0.9939 3068003 PK04_095256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N01 compound treatment 0.525 0.0424 1.33 0.534 0.0583 1.73 2.1653 0.9918 3187360 PK04_095257 C[C@]1([C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N02 compound treatment 0.479 -0.00359 -0.11 0.46 -0.0157 -0.46 -0.4079 -0.8544 3068231 PK04_095258 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N03 compound treatment 0.475 -0.00759 -0.24 0.473 -0.00266 -0.08 -0.2245 -0.8929 3068544 PK04_095259 CC(C)NC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N04 compound treatment 0.488 0.00541 0.17 0.48 0.00434 0.13 0.2112 0.9906 3187527 PK04_095260 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)O)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N05 compound treatment 0.49 0.00741 0.23 0.473 -0.00266 -0.08 0.109 0.4435 3187260 PK04_095261 CCCNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N06 compound treatment 0.502 0.0194 0.61 0.501 0.0253 0.75 0.9625 0.9947 3186724 PK04_095262 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N07 compound treatment 0.482 -5.94E-4 -0.02 0.484 0.00834 0.25 0.1616 0.6519 3068501 PK04_095263 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N08 compound treatment 0.469 -0.0136 -0.43 0.486 0.0103 0.31 -0.0855 -0.1626 3186871 PK04_095264 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N09 mock treatment 0.465 -0.0176 -0.55 0.47 -0.00566 -0.17 -0.5097 -0.8818 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N10 mock treatment 0.482 -5.94E-4 -0.02 0.478 0.00234 0.07 0.0359 0.4993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N11 compound treatment 0.482 -5.94E-4 -0.02 0.476 3.44E-4 0.01 -0.006 -0.2821 3187070 PK04_095265 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N12 compound treatment 0.503 0.0204 0.64 0.498 0.0223 0.66 0.9219 0.9999 3186804 PK04_095266 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N13 mock treatment 0.479 -0.00359 -0.11 0.475 -6.56E-4 -0.02 -0.0937 -0.8168 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N14 mock treatment 0.477 -0.00559 -0.18 0.465 -0.0107 -0.32 -0.3476 -0.9618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N15 compound treatment 0.515 0.0324 1.02 0.527 0.0513 1.52 1.7963 0.981 3186424 PK04_095267 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCCN6CCOCC6)c7ccc(cc7)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N16 compound treatment 0.485 0.00241 0.08 0.486 0.0103 0.31 0.2702 0.856 3068226 PK04_095268 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N17 compound treatment 0.496 0.0134 0.42 0.484 0.00834 0.25 0.4729 0.9677 3068455 PK04_095269 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N18 compound treatment 0.503 0.0204 0.64 0.479 0.00334 0.1 0.5238 0.8067 3068137 PK04_095270 CN(C)CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N19 compound treatment 0.477 -0.00559 -0.18 0.478 0.00234 0.07 -0.0753 -0.398 3068647 PK04_095271 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N20 compound treatment 0.494 0.0114 0.36 0.488 0.0123 0.37 0.5122 1.0 3186492 PK04_095272 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N21 compound treatment 0.495 0.0124 0.39 0.475 -6.56E-4 -0.02 0.2621 0.671 3067959 PK04_095273 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N22 compound treatment 0.482 -5.94E-4 -0.02 0.467 -0.00866 -0.26 -0.1946 -0.7566 3187526 PK04_095274 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)O)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N23 compound treatment 0.507 0.0244 0.77 0.477 0.00134 0.04 0.5708 0.7428 3068468 PK04_095275 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 N24 compound treatment 0.503 0.0204 0.64 0.487 0.0113 0.34 0.6914 0.9545 3068222 PK04_095276 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O01 compound treatment 0.549 0.0664 2.09 0.53 0.0543 1.61 2.6151 0.9918 3068590 PK04_095277 CC(C)NC(=O)[C@H]1[C@@H](N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O02 compound treatment 0.512 0.0294 0.92 0.501 0.0253 0.75 1.1848 0.9947 3067977 PK04_095278 COCCCNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O03 compound treatment 0.489 0.00641 0.2 0.472 -0.00366 -0.11 0.0658 0.2878 3068512 PK04_095279 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(F)(F)F)c3ccccc3C2=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O04 compound treatment 0.484 0.00141 0.04 0.482 0.00634 0.19 0.1642 0.8502 3068637 PK04_095280 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O05 compound treatment 0.487 0.00441 0.14 0.493 0.0173 0.51 0.4614 0.8668 3068459 PK04_095281 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O06 compound treatment 0.493 0.0104 0.33 0.478 0.00234 0.07 0.2805 0.8385 3187520 PK04_095282 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O07 compound treatment 0.485 0.00241 0.08 0.499 0.0233 0.69 0.5426 0.7798 3186989 PK04_095283 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O08 compound treatment 0.506 0.0234 0.74 0.492 0.0163 0.48 0.8629 0.9794 3187364 PK04_095284 C[C@]1([C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O09 compound treatment 0.515 0.0324 1.02 0.507 0.0313 0.93 1.3773 0.9989 3068604 PK04_095285 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O10 compound treatment 0.503 0.0204 0.64 0.49 0.0143 0.43 0.7543 0.98 3187362 PK04_095286 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O11 mock treatment 0.514 0.0314 0.99 0.499 0.0233 0.69 1.1874 0.9848 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O12 mock treatment 0.499 0.0164 0.52 0.491 0.0153 0.45 0.6863 0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O13 compound treatment 0.496 0.0134 0.42 0.507 0.0313 0.93 0.9548 0.9361 3068644 PK04_095287 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O14 compound treatment 0.497 0.0144 0.45 0.502 0.0263 0.78 0.8723 0.9665 3068464 PK04_095288 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O15 compound treatment 0.519 0.0364 1.14 0.516 0.0403 1.2 1.6548 0.9998 3187516 PK04_095289 OCc1ccc(cc1)[C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCc6ccccc6)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O16 compound treatment 0.52 0.0374 1.18 0.512 0.0363 1.08 1.5932 0.999 3187164 PK04_095290 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(F)cc(c5)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O17 compound treatment 0.517 0.0344 1.08 0.504 0.0283 0.84 1.3589 0.9922 3187177 PK04_095291 CC(C)CNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O18 compound treatment 0.523 0.0404 1.27 0.511 0.0353 1.05 1.6389 0.9954 3068546 PK04_095292 CN(C)CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O19 compound treatment 0.505 0.0224 0.7 0.504 0.0283 0.84 1.0921 0.9962 3187256 PK04_095293 CC(C)CNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O20 compound treatment 0.508 0.0254 0.8 0.506 0.0303 0.9 1.2007 0.9983 3187088 PK04_095294 COCCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2Cl)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O21 compound treatment 0.511 0.0284 0.89 0.505 0.0293 0.87 1.2464 0.9999 3186494 PK04_095295 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCC(C)C)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O22 compound treatment 0.516 0.0334 1.05 0.487 0.0113 0.34 0.9804 0.889 3187161 PK04_095296 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O23 compound treatment 0.533 0.0504 1.58 0.526 0.0503 1.49 2.1756 0.9995 3187267 PK04_095297 CC(C)CNC(=O)[C@H]1[C@@H](N(C2CCCCC2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 O24 compound treatment 0.525 0.0424 1.33 0.523 0.0473 1.4 1.9348 0.9997 3068502 PK04_095298 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P01 compound treatment 0.548 0.0654 2.06 0.543 0.0673 2.0 2.8653 0.9999 3068591 PK04_095299 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2CC4(CC5CC6CC(C5)C4)C6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P02 compound treatment 0.513 0.0304 0.96 0.518 0.0423 1.25 1.5633 0.991 3187521 PK04_095300 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P03 compound treatment 0.54 0.0574 1.81 0.544 0.0683 2.03 2.7084 0.9984 3186990 PK04_095301 COc1ccc(CCNC(=O)[C@H]2[C@@H](N(Cc3ccccc3)C(=O)c4ccccc24)c5ccc(CO)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P04 compound treatment 0.577 0.0944 2.97 0.572 0.0963 2.85 4.1177 0.9998 3186985 PK04_095302 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P05 compound treatment 0.561 0.0784 2.47 0.559 0.0833 2.47 3.4896 1.0 3067579 PK04_095303 OCc1ccc([C@H]2N(CC3(CC4CC5CC(C4)C3)C5)C(=O)C[C@@]2(C(=O)NCC(F)(F)F)c6ccc(cc6)[N+](=O)[O-])c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P06 compound treatment 0.508 0.0254 0.8 0.501 0.0253 0.75 1.0959 0.9995 3186975 PK04_095304 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P07 compound treatment 0.504 0.0214 0.67 0.503 0.0273 0.81 1.0489 0.9958 3068548 PK04_095305 CC(C)CNC(=O)[C@H]1[C@@H](N(C(C)C)C(=O)c2ccccc12)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P08 compound treatment 0.517 0.0344 1.08 0.509 0.0333 0.99 1.4636 0.999 3067563 PK04_095306 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(CCN5CCOCC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P09 compound treatment 0.52 0.0374 1.18 0.5 0.0243 0.72 1.3418 0.9725 3067961 PK04_095307 OCc1ccc(cc1)[C@H]2N(C3CCCCC3)C(=O)C[C@@]2(C(=O)NCc4ccccc4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P10 compound treatment 0.537 0.0544 1.71 0.509 0.0333 0.99 1.9083 0.966 3068015 PK04_095308 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P11 mock treatment 0.493 0.0104 0.33 0.487 0.0113 0.34 0.4691 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P12 mock treatment 0.508 0.0254 0.8 0.499 0.0233 0.69 1.054 0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P13 compound treatment 0.515 0.0324 1.02 0.499 0.0233 0.69 1.2096 0.9822 3187510 PK04_095309 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P14 compound treatment 0.506 0.0234 0.74 0.516 0.0403 1.2 1.3657 0.9729 3186495 PK04_095310 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NCCN5CCOCC5)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P15 compound treatment 0.519 0.0364 1.14 0.524 0.0483 1.43 1.8224 0.9938 3187437 PK04_095311 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P16 compound treatment 0.535 0.0524 1.65 0.491 0.0153 0.45 1.4867 0.8697 3186625 PK04_095312 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C(C)C)C4=O)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P17 compound treatment 0.543 0.0604 1.9 0.506 0.0303 0.9 1.9788 0.9417 3068541 PK04_095313 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCCN3CCOCC3)c4ccccc4C(=O)N2C5Cc6ccccc6C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P18 compound treatment 0.53 0.0474 1.49 0.529 0.0533 1.58 2.1717 0.9996 3186878 PK04_095314 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NC6CC6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P19 compound treatment 0.52 0.0374 1.18 0.52 0.0443 1.31 1.7608 0.9985 3187513 PK04_095315 CC(C)CNC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P20 compound treatment 0.545 0.0624 1.96 0.548 0.0723 2.14 2.9033 0.999 3068271 PK04_095316 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCc6ccccc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P21 compound treatment 0.536 0.0534 1.68 0.539 0.0633 1.88 2.5147 0.9985 3068008 PK04_095317 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P22 compound treatment 0.54 0.0574 1.81 0.544 0.0683 2.03 2.7084 0.9984 3068262 PK04_095318 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P23 compound treatment 0.531 0.0484 1.52 0.529 0.0533 1.58 2.194 0.9998 3068469 PK04_095319 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2095 P24 compound treatment 0.578 0.0954 3.0 0.573 0.0973 2.88 4.1609 0.9998 3186794 PK04_095320 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A01 compound treatment 0.505 0.028 0.88 0.528 0.0391 1.16 1.4407 0.9908 3186490 PK04_096001 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A02 compound treatment 0.485 0.00797 0.25 0.525 0.0361 1.07 0.9331 0.8498 3186641 PK04_096002 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A03 compound treatment 0.515 0.038 1.19 0.505 0.0161 0.48 1.1811 0.9188 3068261 PK04_096003 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A04 compound treatment 0.478 9.69E-4 0.03 0.488 -9.21E-4 -0.03 0.0022 0.055 3186971 PK04_096004 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A05 compound treatment 0.497 0.02 0.63 0.49 0.00108 0.03 0.4666 0.7422 3186883 PK04_096005 COCCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A06 compound treatment 0.487 0.00997 0.31 0.495 0.00608 0.18 0.349 0.9654 3068309 PK04_096006 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A07 compound treatment 0.524 0.047 1.48 0.511 0.0221 0.65 1.5069 0.9329 3186716 PK04_096007 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2I)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A08 compound treatment 0.519 0.042 1.32 0.502 0.0131 0.39 1.2072 0.8777 3068367 PK04_096008 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)Sc6ccc(C)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A09 compound treatment 0.545 0.068 2.14 0.503 0.0141 0.42 1.8062 0.8295 3068224 PK04_096009 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A10 compound treatment 0.476 -0.00103 -0.03 0.482 -0.00692 -0.21 -0.1679 -0.8089 3186633 PK04_096010 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5C(F)(F)F)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A11 compound treatment 0.5 0.023 0.72 0.487 -0.00192 -0.06 0.4704 0.6494 3186986 PK04_096011 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A12 compound treatment 0.476 -0.00103 -0.03 0.474 -0.0149 -0.44 -0.3356 -0.7569 3186640 PK04_096012 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A13 mock treatment 0.49 0.013 0.41 0.491 0.00208 0.06 0.3319 0.8048 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A14 mock treatment 0.492 0.015 0.47 0.495 0.00608 0.18 0.4602 0.9131 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A15 compound treatment 0.493 0.016 0.5 0.502 0.0131 0.39 0.6291 0.9918 3186881 PK04_096013 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A16 compound treatment 0.503 0.026 0.82 0.497 0.00808 0.24 0.7467 0.8775 3186790 PK04_096014 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A17 compound treatment 0.484 0.00697 0.22 0.487 -0.00192 -0.06 0.1147 0.5066 3186485 PK04_096015 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A18 compound treatment 0.504 0.027 0.85 0.494 0.00508 0.15 0.706 0.8198 3186802 PK04_096016 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A19 compound treatment 0.48 0.00297 0.09 0.492 0.00308 0.09 0.1305 0.9999 3068405 PK04_096017 CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A20 compound treatment 0.458 -0.019 -0.6 0.454 -0.0349 -1.03 -1.1548 -0.9661 3068141 PK04_096018 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A21 compound treatment 0.486 0.00897 0.28 0.48 -0.00892 -0.26 0.0125 0.0323 3186624 PK04_096019 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5OC)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A22 compound treatment 0.466 -0.011 -0.35 0.469 -0.0199 -0.59 -0.6627 -0.9679 3068200 PK04_096020 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCCN(C)C)C4=O)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A23 compound treatment 0.486 0.00897 0.28 0.487 -0.00192 -0.06 0.1592 0.5533 3068358 PK04_096021 CC(C)CNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 A24 compound treatment 0.442 -0.035 -1.1 0.453 -0.0359 -1.06 -1.5315 -0.9999 3068371 PK04_096022 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B01 compound treatment 0.5 0.023 0.72 0.497 0.00808 0.24 0.68 0.8937 3187511 PK04_096023 CC(C)N1[C@H](c2ccc(CO)cc2)[C@](CC1=O)(C(=O)NCC(F)(F)F)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B02 compound treatment 0.464 -0.013 -0.41 0.475 -0.0139 -0.41 -0.5814 -1.0 3187030 PK04_096024 OCCCc1cc[n+](Cc2cccc(OC(F)(F)F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B03 compound treatment 0.48 0.00297 0.09 0.492 0.00308 0.09 0.1305 0.9999 3187169 PK04_096025 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B04 compound treatment 0.486 0.00897 0.28 0.495 0.00608 0.18 0.3268 0.9766 3068853 PK04_096026 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B05 compound treatment 0.482 0.00497 0.16 0.477 -0.0119 -0.35 -0.1393 -0.3606 3068457 PK04_096027 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCc3ccccc3)c4ccccc4C(=O)N2Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B06 compound treatment 0.475 -0.00203 -0.06 0.475 -0.0139 -0.41 -0.3368 -0.807 3068854 PK04_096028 C[n+]1ccc2ccc(O)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B07 compound treatment 0.459 -0.018 -0.57 0.478 -0.0109 -0.32 -0.6297 -0.9646 3187352 PK04_096029 Cc1ccc(nc1)N2[C@@H](c3ccc(CO)cc3)[C@@](C)(C(=O)NCCN4CCOCC4)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B08 compound treatment 0.473 -0.00403 -0.13 0.466 -0.0229 -0.68 -0.5699 -0.8248 3187112 PK04_096030 COc1cc2CC[N+](=Cc2cc1O)Cc3cc4OCOc4cc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B09 compound treatment 0.533 0.056 1.76 0.504 0.0151 0.45 1.5604 0.8594 3068505 PK04_096031 CC(C)NC(=O)[C@H]1[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B10 compound treatment 0.497 0.02 0.63 0.48 -0.00892 -0.26 0.2571 0.3773 3068855 PK04_096032 C[n+]1ccc(CCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B11 compound treatment 0.479 0.00197 0.06 0.471 -0.0179 -0.53 -0.3317 -0.6205 3068374 PK04_096033 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B12 compound treatment 0.534 0.057 1.79 0.512 0.0231 0.68 1.7502 0.9128 3187113 PK04_096034 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C=C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B13 mock treatment 0.475 -0.00203 -0.06 0.486 -0.00292 -0.09 -0.1064 -0.9888 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B14 mock treatment 0.465 -0.012 -0.38 0.461 -0.0279 -0.83 -0.8525 -0.9371 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B15 compound treatment 0.467 -0.01 -0.32 0.469 -0.0199 -0.59 -0.6404 -0.9569 3187255 PK04_096035 COCCCNC(=O)[C@H]1[C@@H](N(C(=O)c2ccccc12)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B16 compound treatment 0.477 -3.13E-5 0.0 0.47 -0.0189 -0.56 -0.3971 -0.7083 3068856 PK04_096036 Oc1ccc2cc[n+](Cc3sc4ccccc4c3Cl)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B17 compound treatment 0.473 -0.00403 -0.13 0.482 -0.00692 -0.21 -0.2346 -0.9733 3068608 PK04_096037 CC(C)NC(=O)[C@]1(C)[C@@H](N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B18 compound treatment 0.522 0.045 1.41 0.477 -0.0119 -0.35 0.7501 0.5146 3187114 PK04_096038 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C5CC5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B19 compound treatment 0.48 0.00297 0.09 0.474 -0.0149 -0.44 -0.2466 -0.5458 3187171 PK04_096039 COc1ccccc1CN2[C@H]([C@H](C(=O)NCC(C)C)c3ccccc3C2=O)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B20 compound treatment 0.511 0.034 1.07 0.508 0.0191 0.57 1.155 0.9558 3068857 PK04_096040 OCCCc1cc[n+](Cc2ccc(o2)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B21 compound treatment 0.477 -3.13E-5 0.0 0.479 -0.00992 -0.29 -0.2086 -0.7095 3068424 PK04_096041 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B22 compound treatment 0.416 -0.061 -1.92 0.461 -0.0279 -0.83 -1.942 -0.9293 3187115 PK04_096042 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B23 compound treatment 0.432 -0.045 -1.42 0.483 -0.00592 -0.18 -1.1253 -0.7887 3187072 PK04_096043 CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 B24 compound treatment 0.477 -3.13E-5 0.0 0.51 0.0211 0.62 0.441 0.706 3187116 PK04_096044 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C01 compound treatment 0.492 0.015 0.47 0.507 0.0181 0.54 0.7116 0.9979 3068218 PK04_096045 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C02 compound treatment 0.435 -0.042 -1.32 0.458 -0.0309 -0.92 -1.5824 -0.984 3186566 PK04_096046 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C03 compound treatment 0.486 0.00897 0.28 0.483 -0.00592 -0.18 0.0754 0.2269 3186549 PK04_096047 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C04 compound treatment 0.487 0.00997 0.31 0.488 -9.21E-4 -0.03 0.2024 0.6431 3186726 PK04_096048 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C05 compound treatment 0.486 0.00897 0.28 0.489 7.94E-5 0.0 0.2011 0.713 3186792 PK04_096049 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C06 compound treatment 0.47 -0.00703 -0.22 0.504 0.0151 0.45 0.1596 0.3202 3186987 PK04_096050 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C07 compound treatment 0.501 0.024 0.75 0.51 0.0211 0.62 0.9746 0.9956 3068275 PK04_096051 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C08 compound treatment 0.478 9.69E-4 0.03 0.476 -0.0129 -0.38 -0.2492 -0.6488 3186560 PK04_096052 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C09 compound treatment 0.496 0.019 0.6 0.499 0.0101 0.3 0.6329 0.9489 3068147 PK04_096053 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C10 compound treatment 0.48 0.00297 0.09 0.466 -0.0229 -0.68 -0.4142 -0.6042 3186976 PK04_096054 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C11 mock treatment 0.479 0.00197 0.06 0.466 -0.0229 -0.68 -0.4365 -0.64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C12 mock treatment 0.472 -0.00503 -0.16 0.472 -0.0169 -0.5 -0.4664 -0.8871 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C13 compound treatment 0.483 0.00597 0.19 0.496 0.00708 0.21 0.281 0.9985 3186974 PK04_096055 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C14 compound treatment 0.478 9.69E-4 0.03 0.481 -0.00792 -0.23 -0.1444 -0.6102 3186876 PK04_096056 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C15 mock treatment 0.465 -0.012 -0.38 0.471 -0.0179 -0.53 -0.643 -0.9862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C16 mock treatment 0.475 -0.00203 -0.06 0.464 -0.0249 -0.74 -0.5673 -0.7654 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C17 compound treatment 0.506 0.029 0.91 0.496 0.00708 0.21 0.7924 0.8478 3186553 PK04_096057 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C18 compound treatment 0.45 -0.027 -0.85 0.489 7.94E-5 0.0 -0.5993 -0.7051 3186634 PK04_096058 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C19 compound treatment 0.464 -0.013 -0.41 0.455 -0.0339 -1.01 -1.0005 -0.9217 3186638 PK04_096059 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(Cc5ccccc5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C20 compound treatment 0.476 -0.00103 -0.03 0.473 -0.0159 -0.47 -0.3565 -0.7539 3068219 PK04_096060 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C21 compound treatment 0.463 -0.014 -0.44 0.466 -0.0229 -0.68 -0.7922 -0.9782 3068151 PK04_096061 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C22 compound treatment 0.489 0.012 0.38 0.45 -0.0389 -1.15 -0.5494 -0.4529 3068158 PK04_096062 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CC(F)(F)F)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C23 compound treatment 0.558 0.081 2.55 0.491 0.00208 0.06 1.8438 0.724 3186800 PK04_096063 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 C24 compound treatment 0.501 0.024 0.75 0.499 0.0101 0.3 0.7441 0.9179 3068376 PK04_096064 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D01 compound treatment 0.479 0.00197 0.06 0.494 0.00508 0.15 0.1502 0.9229 3068407 PK04_096065 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D02 compound treatment 0.524 0.047 1.48 0.515 0.0261 0.77 1.5907 0.9543 3187117 PK04_096066 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D03 compound treatment 0.57 0.093 2.92 0.468 -0.0209 -0.62 1.6287 0.545 3187274 PK04_096067 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2CC5(CC6CC7CC(C6)C5)C7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D04 compound treatment 0.513 0.036 1.13 0.495 0.00608 0.18 0.9271 0.8095 3068858 PK04_096068 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C=C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D05 compound treatment 0.487 0.00997 0.31 0.483 -0.00592 -0.18 0.0976 0.2717 3187075 PK04_096069 CN(C)CCCNC(=O)[C@H]1[C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D06 compound treatment 0.468 -0.00903 -0.28 0.537 0.0481 1.42 0.8066 0.5552 3187118 PK04_096070 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D07 compound treatment 0.477 -3.13E-5 0.0 0.456 -0.0329 -0.98 -0.6905 -0.7078 3068634 PK04_096071 CC(C)CNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D08 compound treatment 0.483 0.00597 0.19 0.487 -0.00192 -0.06 0.0925 0.4715 3068859 PK04_096072 OCc1ccc(cc1)c2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D09 compound treatment 0.472 -0.00503 -0.16 0.479 -0.00992 -0.29 -0.3197 -0.9578 3067975 PK04_096073 CC(C)NC(=O)[C@]1(CC(=O)N(CC2(CC3CC4CC(C3)C2)C4)[C@@H]1c5ccc(CO)cc5)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D10 compound treatment 0.491 0.014 0.44 0.483 -0.00592 -0.18 0.1865 0.3944 3068860 PK04_096074 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D11 mock treatment 0.469 -0.00803 -0.25 0.473 -0.0159 -0.47 -0.5121 -0.9571 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D12 mock treatment 0.466 -0.011 -0.35 0.468 -0.0209 -0.62 -0.6836 -0.9624 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D13 compound treatment 0.465 -0.012 -0.38 0.459 -0.0299 -0.89 -0.8944 -0.9279 3187429 PK04_096075 C[C@]1([C@@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4)C(=O)NCCN5CCOCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D14 compound treatment 0.483 0.00597 0.19 0.483 -0.00592 -0.18 0.0087 0.0337 3187119 PK04_096076 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D15 mock treatment 0.466 -0.011 -0.35 0.459 -0.0299 -0.89 -0.8722 -0.9161 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D16 mock treatment 0.479 0.00197 0.06 0.496 0.00708 0.21 0.1921 0.8783 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D17 compound treatment 0.477 -3.13E-5 0.0 0.484 -0.00492 -0.15 -0.1038 -0.7119 3187348 PK04_096077 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(C)C)C(=O)c2ccccc21)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D18 compound treatment 0.472 -0.00503 -0.16 0.486 -0.00292 -0.09 -0.1731 -0.9597 3068861 PK04_096078 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C4CC4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D19 compound treatment 0.454 -0.023 -0.72 0.459 -0.0299 -0.89 -1.139 -0.995 3187354 PK04_096079 CC(C)NC(=O)[C@]1(C)[C@@H](N(C(=O)c2ccccc21)c3ccc(C)cn3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D20 compound treatment 0.475 -0.00203 -0.06 0.481 -0.00792 -0.23 -0.2111 -0.868 3187120 PK04_096080 OCc1ccc(cc1)c2cc[n+](Cc3sc4ccccc4c3Cl)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D21 compound treatment 0.458 -0.019 -0.6 0.462 -0.0269 -0.8 -0.9872 -0.99 3187433 PK04_096081 CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D22 compound treatment 0.475 -0.00203 -0.06 0.467 -0.0219 -0.65 -0.5045 -0.7729 3068862 PK04_096082 COc1cc2CCN(C)C(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D23 compound treatment 0.471 -0.00603 -0.19 0.475 -0.0139 -0.41 -0.4258 -0.9378 3068462 PK04_096083 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NC3CC3)c4ccccc4C(=O)N2Cc5ccccc5C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 D24 compound treatment 0.487 0.00997 0.31 0.486 -0.00292 -0.09 0.1604 0.4934 3187121 PK04_096084 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E01 mock treatment 0.485 0.00797 0.25 0.5 0.0111 0.33 0.4093 0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E02 mock treatment 0.463 -0.014 -0.44 0.493 0.00408 0.12 -0.2265 -0.4951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E03 compound treatment 0.468 -0.00903 -0.28 0.48 -0.00892 -0.26 -0.3877 -0.9994 3186708 PK04_096085 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E04 compound treatment 0.467 -0.01 -0.32 0.468 -0.0209 -0.62 -0.6614 -0.9509 3186710 PK04_096086 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E05 compound treatment 0.5 0.023 0.72 0.508 0.0191 0.57 0.9104 0.9927 3186888 PK04_096087 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E06 compound treatment 0.437 -0.04 -1.26 0.511 0.0221 0.65 -0.4274 -0.3013 3186565 PK04_096088 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(Cc7ccccc7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E07 compound treatment 0.461 -0.016 -0.5 0.469 -0.0199 -0.59 -0.7738 -0.9969 3186983 PK04_096089 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E08 compound treatment 0.446 -0.031 -0.98 0.474 -0.0149 -0.44 -1.0026 -0.9359 3067581 PK04_096090 CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E09 mock treatment 0.468 -0.00903 -0.28 0.508 0.0191 0.57 0.199 0.3145 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E10 mock treatment 0.474 -0.00303 -0.1 0.508 0.0191 0.57 0.3324 0.5797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E11 compound treatment 0.499 0.022 0.69 0.506 0.0171 0.51 0.8463 0.9883 3186717 PK04_096091 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E12 compound treatment 0.461 -0.016 -0.5 0.448 -0.0409 -1.21 -1.2138 -0.9244 3068221 PK04_096092 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E13 compound treatment 0.503 0.026 0.82 0.498 0.00908 0.27 0.7676 0.8929 3068273 PK04_096093 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E14 compound treatment 0.476 -0.00103 -0.03 0.476 -0.0129 -0.38 -0.2937 -0.7643 3068377 PK04_096094 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E15 compound treatment 0.476 -0.00103 -0.03 0.475 -0.0139 -0.41 -0.3146 -0.7603 3068408 PK04_096095 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E16 compound treatment 0.467 -0.01 -0.32 0.465 -0.0239 -0.71 -0.7242 -0.9335 3186635 PK04_096096 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E17 mock treatment 0.475 -0.00203 -0.06 0.553 0.0641 1.9 1.2975 0.6829 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E18 mock treatment 0.477 -3.13E-5 0.0 0.483 -0.00592 -0.18 -0.1247 -0.7111 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E19 compound treatment 0.495 0.018 0.57 0.507 0.0181 0.54 0.7783 0.9996 3186791 PK04_096097 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E20 compound treatment 0.453 -0.024 -0.76 0.454 -0.0349 -1.03 -1.266 -0.9881 3068233 PK04_096098 CC(C)N1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E21 compound treatment 0.49 0.013 0.41 0.494 0.00508 0.15 0.3948 0.9082 3186719 PK04_096099 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)Sc6ccc(C)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E22 compound treatment 0.483 0.00597 0.19 0.476 -0.0129 -0.38 -0.138 -0.3237 3186789 PK04_096100 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E23 compound treatment 0.492 0.015 0.47 0.488 -9.21E-4 -0.03 0.3135 0.665 3186803 PK04_096101 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 E24 compound treatment 0.516 0.039 1.23 0.515 0.0261 0.77 1.4129 0.9753 3186711 PK04_096102 CN(C)CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F01 mock treatment 0.51 0.033 1.04 0.514 0.0251 0.74 1.2585 0.9867 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F02 mock treatment 0.477 -3.13E-5 0.0 0.529 0.0401 1.19 0.8391 0.7065 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F03 compound treatment 0.482 0.00497 0.16 0.48 -0.00892 -0.26 -0.0764 -0.2489 3068521 PK04_096103 CCCNC(=O)[C@H]1[C@@H](N(C2Cc3ccccc3C2)C(=O)c4ccccc14)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F04 compound treatment 0.469 -0.00803 -0.25 0.485 -0.00392 -0.12 -0.2607 -0.9379 3187122 PK04_096104 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F05 compound treatment 0.482 0.00497 0.16 0.505 0.0161 0.48 0.4474 0.8922 3068461 PK04_096105 CCCNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F06 compound treatment 0.487 0.00997 0.31 0.539 0.0501 1.48 1.2709 0.838 3068863 PK04_096106 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F07 compound treatment 0.482 0.00497 0.16 0.479 -0.00992 -0.29 -0.0974 -0.2925 3187077 PK04_096107 CC(C)CNC(=O)[C@H]1[C@@H](N(Cc2ccccc2C(F)(F)F)C(=O)c3ccccc13)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F08 compound treatment 0.486 0.00897 0.28 0.498 0.00908 0.27 0.3896 0.9997 3187123 PK04_096108 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F09 mock treatment 0.48 0.00297 0.09 0.499 0.0101 0.3 0.2772 0.8859 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F10 mock treatment 0.468 -0.00903 -0.28 0.473 -0.0159 -0.47 -0.5344 -0.9705 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F11 compound treatment 0.478 9.69E-4 0.03 0.467 -0.0219 -0.65 -0.4378 -0.6732 3187438 PK04_096109 CN(C)CCCNC(=O)[C@]1(C)[C@@H](N(Cc2ccccc2)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F12 compound treatment 0.467 -0.01 -0.32 0.477 -0.0119 -0.35 -0.4728 -0.9984 3187124 PK04_096110 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OC)c3ccc(CO)cc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F13 compound treatment 0.492 0.015 0.47 0.491 0.00208 0.06 0.3764 0.7929 3068559 PK04_096111 OCc1ccc(cc1)[C@H]2[C@H](C(=O)NCC(F)(F)F)c3ccccc3C(=O)N2C4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F14 compound treatment 0.492 0.015 0.47 0.517 0.0281 0.83 0.9212 0.9636 3068864 PK04_096112 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F15 compound treatment 0.5 0.023 0.72 0.52 0.0311 0.92 1.1619 0.9928 3186801 PK04_096113 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F16 compound treatment 0.489 0.012 0.38 0.492 0.00308 0.09 0.3306 0.8538 3187125 PK04_096114 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F17 mock treatment 0.48 0.00297 0.09 0.479 -0.00992 -0.29 -0.1419 -0.4599 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F18 mock treatment 0.494 0.017 0.53 0.481 -0.00792 -0.23 0.2113 0.3625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F19 compound treatment 0.507 0.03 0.94 0.523 0.0341 1.01 1.3804 0.9994 3186718 PK04_096115 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NC6CC6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F20 compound treatment 0.489 0.012 0.38 0.49 0.00108 0.03 0.2887 0.7644 3068865 PK04_096116 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F21 compound treatment 0.485 0.00797 0.25 0.477 -0.0119 -0.35 -0.0726 -0.1676 3067569 PK04_096117 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F22 compound treatment 0.48 0.00297 0.09 0.473 -0.0159 -0.47 -0.2676 -0.5564 3187126 PK04_096118 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C=C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F23 compound treatment 0.461 -0.016 -0.5 0.471 -0.0179 -0.53 -0.7319 -0.9997 3068643 PK04_096119 COCCCNC(=O)[C@]1(C)[C@@H](N(Cc2cc(F)cc(c2)C(F)(F)F)C(=O)c3ccccc31)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 F24 compound treatment 0.506 0.029 0.91 0.496 0.00708 0.21 0.7924 0.8478 3187127 PK04_096120 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G01 compound treatment 0.493 0.016 0.5 0.502 0.0131 0.39 0.6291 0.9918 3186434 PK04_096121 CN(C)CCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G02 compound treatment 0.468 -0.00903 -0.28 0.469 -0.0199 -0.59 -0.6182 -0.9438 3067602 PK04_096122 CC(C)N1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G03 mock treatment 0.484 0.00697 0.22 0.481 -0.00792 -0.23 -0.011 -0.0343 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G04 mock treatment 0.48 0.00297 0.09 0.495 0.00608 0.18 0.1934 0.9532 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G05 compound treatment 0.487 0.00997 0.31 0.501 0.0121 0.36 0.4747 0.9978 3068238 PK04_096123 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G06 compound treatment 0.498 0.021 0.66 0.541 0.0521 1.54 1.5574 0.9281 3068315 PK04_096124 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G07 compound treatment 0.518 0.041 1.29 0.639 0.15 4.45 4.0555 0.8759 3186805 PK04_096125 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G08 compound treatment 0.508 0.031 0.97 0.526 0.0371 1.1 1.4655 0.9982 3186712 PK04_096126 COCCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G09 compound treatment 0.483 0.00597 0.19 0.597 0.108 3.2 2.3973 0.7473 3068360 PK04_096127 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G10 compound treatment 0.447 -0.03 -0.94 0.455 -0.0339 -1.01 -1.3784 -0.9995 3186431 PK04_096128 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N([C@@H]3c4ccc(CO)cc24)C5CCCCC5)c6ccc(cc6)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G11 compound treatment 0.481 0.00397 0.12 0.515 0.0261 0.77 0.6347 0.8108 3186642 PK04_096129 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2I)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G12 compound treatment 0.472 -0.00503 -0.16 0.497 0.00808 0.24 0.0574 0.2001 3068326 PK04_096130 CCCNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G13 compound treatment 0.495 0.018 0.57 0.44 -0.0489 -1.45 -0.6255 -0.402 3186484 PK04_096131 CCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G14 compound treatment 0.497 0.02 0.63 0.493 0.00408 0.12 0.5295 0.828 3068146 PK04_096132 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G15 compound treatment 0.499 0.022 0.69 0.502 0.0131 0.39 0.7625 0.9627 3068195 PK04_096133 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(C6CC6)C4=O)c7ccccc7C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G16 compound treatment 0.479 0.00197 0.06 0.51 0.0211 0.62 0.4854 0.7734 3068279 PK04_096134 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G17 compound treatment 0.479 0.00197 0.06 0.486 -0.00292 -0.09 -0.0174 -0.1637 3068328 PK04_096135 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G18 compound treatment 0.491 0.014 0.44 0.487 -0.00192 -0.06 0.2703 0.6104 3068311 PK04_096136 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G19 mock treatment 0.457 -0.02 -0.63 0.471 -0.0179 -0.53 -0.8209 -0.9964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G20 mock treatment 0.465 -0.012 -0.38 0.459 -0.0299 -0.89 -0.8944 -0.9279 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G21 compound treatment 0.493 0.016 0.5 0.531 0.0421 1.25 1.2367 0.9201 3068284 PK04_096137 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G22 compound treatment 0.478 9.69E-4 0.03 0.486 -0.00292 -0.09 -0.0397 -0.4322 3186501 PK04_096138 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G23 compound treatment 0.488 0.011 0.34 0.488 -9.21E-4 -0.03 0.2246 0.6492 3186555 PK04_096139 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 G24 compound treatment 0.494 0.017 0.53 0.5 0.0111 0.33 0.6094 0.9728 3186877 PK04_096140 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H01 compound treatment 0.483 0.00597 0.19 0.492 0.00308 0.09 0.1972 0.9451 3186629 PK04_096141 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H02 compound treatment 0.467 -0.01 -0.32 0.487 -0.00192 -0.06 -0.2633 -0.8214 3068866 PK04_096142 OCc1ccc(cc1)c2cc[n+](Cc3cc4OCOc4cc3Br)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H03 mock treatment 0.463 -0.014 -0.44 0.477 -0.0119 -0.35 -0.5617 -0.9939 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H04 mock treatment 0.492 0.015 0.47 0.535 0.0461 1.37 1.2983 0.8989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H05 compound treatment 0.464 -0.013 -0.41 0.462 -0.0269 -0.8 -0.8538 -0.9521 3186432 PK04_096143 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(Cc5ccccc5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H06 compound treatment 0.475 -0.00203 -0.06 0.539 0.0501 1.48 1.0041 0.676 3068867 PK04_096144 OCc1ccc(cc1)c2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H07 compound treatment 0.492 0.015 0.47 0.513 0.0241 0.71 0.8373 0.9796 3187128 PK04_096145 CC(C)CN1C(=O)[C@]2(CC(=O)N(CC3C4CC5CC(C4)CC3C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H08 compound treatment 0.481 0.00397 0.12 0.542 0.0531 1.57 1.2004 0.7608 3068868 PK04_096146 COc1cc2CC[N+](=Cc2cc1O)Cc3sc4ccccc4c3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H09 compound treatment 0.563 0.086 2.7 0.564 0.0751 2.22 3.4845 0.9953 3186637 PK04_096147 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H10 compound treatment 0.495 0.018 0.57 0.486 -0.00292 -0.09 0.3383 0.5919 3187129 PK04_096148 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(C4CC4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H11 compound treatment 0.467 -0.01 -0.32 0.477 -0.0119 -0.35 -0.4728 -0.9984 3187130 PK04_096149 CC1(C)OB(OC1(C)C)/C=C\CC(OC(=O)c2ccncc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H12 compound treatment 0.477 -3.13E-5 0.0 0.486 -0.00292 -0.09 -0.0619 -0.7151 3187131 PK04_096150 C[n+]1ccc(cc1)c2ccc(CO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H13 compound treatment 0.508 0.031 0.97 0.607 0.118 3.5 3.1626 0.8708 3068898 PK04_096151 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)C)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H14 compound treatment 0.527 0.05 1.57 0.537 0.0481 1.42 2.1184 0.9988 3187132 PK04_096152 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H15 compound treatment 0.468 -0.00903 -0.28 0.502 0.0131 0.39 0.0732 0.1525 3187133 PK04_096153 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H16 compound treatment 0.466 -0.011 -0.35 0.462 -0.0269 -0.8 -0.8093 -0.9304 3187134 PK04_096154 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C2)c6cccs6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H17 compound treatment 0.476 -0.00103 -0.03 0.482 -0.00692 -0.21 -0.1679 -0.8089 3068899 PK04_096155 COC(=O)c1ccc(OC)c(/C=C\CC(CCc2ccccc2)OC(=O)c3ccncc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H18 compound treatment 0.486 0.00897 0.28 0.496 0.00708 0.21 0.3477 0.9894 3068900 PK04_096156 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C5CC5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H19 mock treatment 0.461 -0.016 -0.5 0.459 -0.0299 -0.89 -0.9834 -0.9642 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H20 mock treatment 0.459 -0.018 -0.57 0.471 -0.0179 -0.53 -0.7764 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H21 compound treatment 0.509 0.032 1.01 0.515 0.0261 0.77 1.2572 0.9916 3187204 PK04_096157 CC(C)(C)OC(=O)COc1cccc(c1)C(=O)CCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H22 compound treatment 0.469 -0.00803 -0.25 0.523 0.0341 1.01 0.5355 0.5144 3187205 PK04_096158 OCCCc1cc[n+](Cc2cc3OCOc3cc2Br)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H23 compound treatment 0.461 -0.016 -0.5 0.495 0.00608 0.18 -0.2291 -0.4279 3068901 PK04_096159 COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 H24 compound treatment 0.493 0.016 0.5 0.522 0.0331 0.98 1.0481 0.9517 3187206 PK04_096160 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OC)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I01 compound treatment 0.522 0.045 1.41 0.528 0.0391 1.16 1.8186 0.9951 3186796 PK04_096161 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I02 compound treatment 0.461 -0.016 -0.5 0.47 -0.0189 -0.56 -0.7529 -0.9986 3186628 PK04_096162 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4Cl)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I03 compound treatment 0.481 0.00397 0.12 0.522 0.0331 0.98 0.7813 0.7907 3186882 PK04_096163 CN(C)CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I04 compound treatment 0.471 -0.00603 -0.19 0.529 0.0401 1.19 0.7057 0.5868 3186797 PK04_096164 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I05 mock treatment 0.472 -0.00503 -0.16 0.497 0.00808 0.24 0.0574 0.2001 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I06 mock treatment 0.478 9.69E-4 0.03 0.47 -0.0189 -0.56 -0.3749 -0.6677 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I07 compound treatment 0.476 -0.00103 -0.03 0.49 0.00108 0.03 -3.0E-4 -0.0069 3186430 PK04_096165 OCc1ccc2[C@H]3N(C4CCCCC4)C(=O)C[C@@]3(C(=O)N(C5CC5)c2c1)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I08 compound treatment 0.475 -0.00203 -0.06 0.514 0.0251 0.74 0.4803 0.644 3186557 PK04_096166 CC(C)CNC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I09 compound treatment 0.492 0.015 0.47 0.498 0.00908 0.27 0.5231 0.9648 3186558 PK04_096167 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I10 compound treatment 0.473 -0.00403 -0.13 0.551 0.0621 1.84 1.2111 0.6568 3068320 PK04_096168 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I11 compound treatment 0.492 0.015 0.47 0.496 0.00708 0.21 0.4811 0.9337 3068364 PK04_096169 COCCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I12 compound treatment 0.485 0.00797 0.25 0.498 0.00908 0.27 0.3674 0.9994 3186489 PK04_096170 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCCN6CCOCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I13 compound treatment 0.495 0.018 0.57 0.485 -0.00392 -0.12 0.3174 0.5502 3186807 PK04_096171 CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I14 compound treatment 0.497 0.02 0.63 0.5 0.0111 0.33 0.6761 0.9543 3068281 PK04_096172 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I15 compound treatment 0.491 0.014 0.44 0.484 -0.00492 -0.15 0.2075 0.4483 3186567 PK04_096173 CN(C)CCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I16 compound treatment 0.492 0.015 0.47 0.475 -0.0139 -0.41 0.0411 0.0657 3068410 PK04_096174 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I17 compound treatment 0.48 0.00297 0.09 0.478 -0.0109 -0.32 -0.1628 -0.4834 3186973 PK04_096175 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I18 compound treatment 0.472 -0.00503 -0.16 0.479 -0.00992 -0.29 -0.3197 -0.9578 3068148 PK04_096176 CC(C)NC(=O)[C@]1(Cc2ccccc2I)[C@@H](N(Cc3ccccc3Cl)C(=O)c4ccccc41)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I19 compound treatment 0.487 0.00997 0.31 0.494 0.00508 0.15 0.3281 0.9435 3068239 PK04_096177 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I20 compound treatment 0.482 0.00497 0.16 0.482 -0.00692 -0.21 -0.0345 -0.1339 3068268 PK04_096178 CCCNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I21 mock treatment 0.446 -0.031 -0.98 0.859 0.37 10.97 7.0642 0.6417 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I22 mock treatment 0.466 -0.011 -0.35 0.467 -0.0219 -0.65 -0.7046 -0.9568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I23 compound treatment 0.457 -0.02 -0.63 0.483 -0.00592 -0.18 -0.5694 -0.8709 3186564 PK04_096179 OCc1ccc(cc1)[C@@H]2N(C3CCCCC3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 I24 compound treatment 0.478 9.69E-4 0.03 0.505 0.0161 0.48 0.3584 0.7508 3068366 PK04_096180 CC(C)CNC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J01 compound treatment 0.528 0.051 1.6 0.536 0.0471 1.4 2.1197 0.9976 1230870 PK04_096181 Oc1cccc(c1)C(=O)CCN2CCOCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J02 compound treatment 0.484 0.00697 0.22 0.487 -0.00192 -0.06 0.1147 0.5066 3187207 PK04_096182 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J03 compound treatment 0.49 0.013 0.41 0.491 0.00208 0.06 0.3319 0.8048 3068902 PK04_096183 COc1ccc(CC[C@H](O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J04 compound treatment 0.495 0.018 0.57 0.503 0.0141 0.42 0.6945 0.9889 3187208 PK04_096184 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J05 mock treatment 0.468 -0.00903 -0.28 0.484 -0.00492 -0.15 -0.3039 -0.952 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J06 mock treatment 0.475 -0.00203 -0.06 0.492 0.00308 0.09 0.0194 0.1738 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J07 compound treatment 0.489 0.012 0.38 0.528 0.0391 1.16 1.0849 0.891 3187209 PK04_096185 CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c5cccc(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J08 compound treatment 0.502 0.025 0.79 0.558 0.0691 2.05 2.0026 0.9134 3068903 PK04_096186 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J09 compound treatment 0.48 0.00297 0.09 0.483 -0.00592 -0.18 -0.058 -0.2921 1032549 PK04_096187 CCOC(=O)C1CCCCN1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J10 compound treatment 0.484 0.00697 0.22 0.489 7.94E-5 0.0 0.1566 0.7147 3187210 PK04_096188 COc1cc2CCN(C)C(C=C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J11 compound treatment 0.477 -3.13E-5 0.0 0.514 0.0251 0.74 0.5248 0.7062 3187211 PK04_096189 CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J12 compound treatment 0.503 0.026 0.82 0.507 0.0181 0.54 0.9562 0.9791 3187212 PK04_096190 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4ccc(CN5CCCC5)cc4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J13 compound treatment 0.476 -0.00103 -0.03 0.49 0.00108 0.03 -3.0E-4 -0.0069 3068904 PK04_096191 [O-][N+](=O)c1cc(Br)ccc1C(=O)NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J14 compound treatment 0.559 0.082 2.58 0.517 0.0281 0.83 2.4108 0.8901 3068905 PK04_096192 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C=C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J15 compound treatment 0.489 0.012 0.38 0.484 -0.00492 -0.15 0.163 0.4039 3187213 PK04_096193 CC(=O)Nc1cc(Br)ccc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J16 compound treatment 0.503 0.026 0.82 0.489 7.94E-5 0.0 0.579 0.7091 3187214 PK04_096194 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(c5cccs5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J17 compound treatment 0.481 0.00397 0.12 0.501 0.0121 0.36 0.3413 0.9005 3068906 PK04_096195 CC(=O)Nc1cc(Br)ccc1C(=O)NCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J18 compound treatment 0.513 0.036 1.13 0.539 0.0501 1.48 1.849 0.991 3187215 PK04_096196 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5cccs5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J19 compound treatment 0.502 0.025 0.79 0.524 0.0351 1.04 1.2902 0.9904 3068907 PK04_096197 Brc1ccc2c(=O)oc(nc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J20 compound treatment 0.546 0.069 2.17 0.578 0.0891 2.64 3.3999 0.9952 3187216 PK04_096198 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4ccc(CN5CCCC5)cc4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J21 mock treatment 0.466 -0.011 -0.35 0.494 0.00508 0.15 -0.1388 -0.3672 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J22 mock treatment 0.481 0.00397 0.12 0.508 0.0191 0.57 0.488 0.8429 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J23 compound treatment 0.478 9.69E-4 0.03 0.609 0.12 3.56 2.5375 0.7131 3068908 PK04_096199 Nc1cc(Br)ccc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 J24 compound treatment 0.519 0.042 1.32 0.585 0.0961 2.85 2.9463 0.9389 3068910 PK04_096200 Oc1ccc2cc[n+](Cc3ccc(o3)[N+](=O)[O-])cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K01 compound treatment 0.485 0.00797 0.25 0.494 0.00508 0.15 0.2836 0.9703 3068198 PK04_096201 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(Cc6ccccc6)C4=O)c7ccccc7C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K02 compound treatment 0.473 -0.00403 -0.13 0.466 -0.0229 -0.68 -0.5699 -0.8248 3186870 PK04_096202 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K03 compound treatment 0.486 0.00897 0.28 0.49 0.00108 0.03 0.222 0.7823 3068155 PK04_096203 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K04 compound treatment 0.469 -0.00803 -0.25 0.484 -0.00492 -0.15 -0.2817 -0.9659 3186875 PK04_096204 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCC(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K05 compound treatment 0.472 -0.00503 -0.16 0.508 0.0191 0.57 0.2879 0.4904 3068359 PK04_096205 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NC4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K06 compound treatment 0.468 -0.00903 -0.28 0.471 -0.0179 -0.53 -0.5763 -0.957 3186626 PK04_096206 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CC(F)(F)F)C4=O)c6ccccc6C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K07 mock treatment 0.488 0.011 0.34 0.487 -0.00192 -0.06 0.2036 0.5825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K08 mock treatment 0.482 0.00497 0.16 0.519 0.0301 0.89 0.7407 0.8186 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K09 compound treatment 0.478 9.69E-4 0.03 0.488 -9.21E-4 -0.03 0.0022 0.055 3186869 PK04_096207 COc1ccc(CCNC(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K10 compound treatment 0.459 -0.018 -0.57 0.485 -0.00392 -0.12 -0.4831 -0.8347 3068235 PK04_096208 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K11 compound treatment 0.478 9.69E-4 0.03 0.492 0.00308 0.09 0.0861 0.8946 3186487 PK04_096209 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(Cc7ccccc7)c2c1)c8ccc(cc8)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K12 compound treatment 0.49 0.013 0.41 0.501 0.0121 0.36 0.5414 0.9979 3068411 PK04_096210 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K13 compound treatment 0.496 0.019 0.6 0.559 0.0701 2.08 1.8901 0.8748 3068329 PK04_096211 CC(C)NC(=O)[C@]1(CC(=O)N([C@@H]1c2ccc(CO)cc2)C3CCCCC3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K14 compound treatment 0.463 -0.014 -0.44 0.545 0.0561 1.66 0.863 0.502 3067608 PK04_096212 COCCCN1C(=O)[C@]2(CC(=O)N([C@@H]2c3ccc(CO)cc13)C4CCCCC4)c5ccc(cc5)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K15 mock treatment 0.481 0.00397 0.12 0.528 0.0391 1.16 0.9071 0.7788 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K16 mock treatment 0.485 0.00797 0.25 0.51 0.0211 0.62 0.6188 0.9195 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K17 compound treatment 0.476 -0.00103 -0.03 0.501 0.0121 0.36 0.2302 0.6404 3186979 PK04_096213 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K18 compound treatment 0.461 -0.016 -0.5 0.466 -0.0229 -0.68 -0.8367 -0.9892 3186636 PK04_096214 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K19 compound treatment 0.493 0.016 0.5 0.539 0.0501 1.48 1.4043 0.8964 3186793 PK04_096215 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K20 compound treatment 0.449 -0.028 -0.88 0.539 0.0501 1.48 0.4261 0.2469 3186637 PK04_096216 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K21 compound treatment 0.464 -0.013 -0.41 0.515 0.0261 0.77 0.2567 0.2935 3067613 PK04_096217 COc1ccc(CCN2C(=O)[C@]3(CC(=O)N(CC4(CC5CC6CC(C5)C4)C6)[C@@H]3c7ccc(CO)cc27)c8ccc(cc8)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K22 compound treatment 0.466 -0.011 -0.35 0.477 -0.0119 -0.35 -0.495 -1.0 3186873 PK04_096218 CCCNC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K23 mock treatment 0.463 -0.014 -0.44 0.469 -0.0199 -0.59 -0.7294 -0.9897 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 K24 mock treatment 0.482 0.00497 0.16 0.507 0.0181 0.54 0.4893 0.8768 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L01 compound treatment 0.509 0.032 1.01 0.504 0.0151 0.45 1.0267 0.9334 3068940 PK04_096219 Cc1nc2cc(Br)ccc2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L02 compound treatment 0.539 0.062 1.95 0.544 0.0551 1.63 2.5319 0.9961 3187217 PK04_096220 COc1cc2CCN(Cc3cc4OCOc4cc3Br)C(c5ccc(CN6CCCC6)cc5)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L03 compound treatment 0.469 -0.00803 -0.25 0.468 -0.0209 -0.62 -0.6169 -0.9216 3068941 PK04_096221 CC(C)c1nc2cc(Br)ccc2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L04 compound treatment 0.463 -0.014 -0.44 0.472 -0.0169 -0.5 -0.6665 -0.998 3068942 PK04_096222 COc1cc2CCN(Cc3sc4ccccc4c3Cl)C(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L05 compound treatment 0.479 0.00197 0.06 0.485 -0.00392 -0.12 -0.0384 -0.2915 3187218 PK04_096223 Cc1nc2cc(Br)ccc2c(=O)n1Cc3cccc(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L06 compound treatment 0.467 -0.01 -0.32 0.517 0.0281 0.83 0.3653 0.4105 3068943 PK04_096224 COc1cc2CCN(C)C(c3cccs3)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L07 mock treatment 0.479 0.00197 0.06 0.488 -9.21E-4 -0.03 0.0245 0.3619 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L08 mock treatment 0.474 -0.00303 -0.1 0.524 0.0351 1.04 0.6676 0.6396 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L09 compound treatment 0.545 0.068 2.14 0.538 0.0491 1.45 2.5396 0.9824 3187219 PK04_096225 Oc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L10 compound treatment 0.462 -0.015 -0.47 0.476 -0.0129 -0.38 -0.6049 -0.9945 3187220 PK04_096226 COC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OC)c4ccc(CO)cc4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L11 compound treatment 0.513 0.036 1.13 0.549 0.0601 1.78 2.0585 0.976 3068944 PK04_096227 Oc1cccc(Cn2c(nc3cc(Br)ccc3c2=O)c4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L12 compound treatment 0.495 0.018 0.57 0.533 0.0441 1.31 1.3231 0.9297 3187221 PK04_096228 CN1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L13 compound treatment 0.483 0.00597 0.19 0.495 0.00608 0.18 0.2601 0.9998 1980253 PK04_096229 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2)/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L14 compound treatment 0.49 0.013 0.41 0.499 0.0101 0.3 0.4995 0.9883 3068945 PK04_096230 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L15 mock treatment 0.483 0.00597 0.19 0.498 0.00908 0.27 0.3229 0.9845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L16 mock treatment 0.48 0.00297 0.09 0.504 0.0151 0.45 0.382 0.8368 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L17 compound treatment 0.511 0.034 1.07 0.528 0.0391 1.16 1.5741 0.9992 3187222 PK04_096231 Cc1c(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L18 compound treatment 0.483 0.00597 0.19 0.513 0.0241 0.71 0.6372 0.8637 3187223 PK04_096232 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6cccs6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L19 compound treatment 0.5 0.023 0.72 0.504 0.0151 0.45 0.8266 0.9734 3068946 PK04_096233 Cc1c(NC(=O)/C(=C/C=C/c2ccc(cc2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L20 compound treatment 0.483 0.00597 0.19 0.491 0.00208 0.06 0.1763 0.8924 3187224 PK04_096234 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L21 compound treatment 0.512 0.035 1.1 0.526 0.0371 1.1 1.5544 1.0 3068947 PK04_096235 CN(C)c1ccc(/C=C/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L22 compound treatment 0.471 -0.00603 -0.19 0.474 -0.0149 -0.44 -0.4467 -0.9286 3187225 PK04_096236 COc1cc2CCN(C)C(C3CC3)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L23 mock treatment 0.464 -0.013 -0.41 0.47 -0.0189 -0.56 -0.6862 -0.9881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 L24 mock treatment 0.488 0.011 0.34 0.496 0.00708 0.21 0.3922 0.9716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M01 compound treatment 0.488 0.011 0.34 0.504 0.0151 0.45 0.5598 0.9918 3186502 PK04_096237 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M02 compound treatment 0.501 0.024 0.75 0.517 0.0281 0.83 1.1213 0.9988 3186497 PK04_096238 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@@](Cc4ccccc4I)(C(=O)NC(C)C)c5ccccc5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M03 compound treatment 0.482 0.00497 0.16 0.532 0.0431 1.28 1.0131 0.7878 3068404 PK04_096239 COCCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M04 compound treatment 0.492 0.015 0.47 0.498 0.00908 0.27 0.5231 0.9648 3186643 PK04_096240 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M05 compound treatment 0.488 0.011 0.34 0.499 0.0101 0.3 0.4551 0.9974 3186723 PK04_096241 CCCNC(=O)[C@]1(CC(=O)N(Cc2ccccc2Cl)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M06 compound treatment 0.475 -0.00203 -0.06 0.492 0.00308 0.09 0.0194 0.1738 3186868 PK04_096242 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3)C4CCCCC4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M07 compound treatment 0.489 0.012 0.38 0.502 0.0131 0.39 0.5402 0.9999 3186798 PK04_096243 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M08 compound treatment 0.487 0.00997 0.31 0.505 0.0161 0.48 0.5586 0.9794 3186799 PK04_096244 CN(C)CCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3I)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M09 mock treatment 0.501 0.024 0.75 0.512 0.0231 0.68 1.0165 0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M10 mock treatment 0.477 -3.13E-5 0.0 0.484 -0.00492 -0.15 -0.1038 -0.7119 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M11 compound treatment 0.505 0.028 0.88 0.502 0.0131 0.39 0.8959 0.9322 3186496 PK04_096245 COc1ccc(CCNC(=O)[C@]2(Cc3ccccc3I)[C@@H](N(Cc4ccccc4OC)C(=O)c5ccccc52)c6ccc(CO)cc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M12 compound treatment 0.485 0.00797 0.25 0.474 -0.0149 -0.44 -0.1355 -0.2665 3068379 PK04_096246 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M13 mock treatment 0.47 -0.00703 -0.22 0.49 0.00108 0.03 -0.1337 -0.5986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M14 mock treatment 0.488 0.011 0.34 0.487 -0.00192 -0.06 0.2036 0.5825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M15 compound treatment 0.501 0.024 0.75 0.501 0.0121 0.36 0.786 0.9421 3186488 PK04_096247 CC(C)N1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M16 compound treatment 0.497 0.02 0.63 0.488 -9.21E-4 -0.03 0.4247 0.6757 3186886 PK04_096248 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M17 compound treatment 0.495 0.018 0.57 0.501 0.0121 0.36 0.6526 0.9757 3068154 PK04_096249 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3)C(=O)c4ccccc4[C@]2(Cc5ccccc5I)C(=O)NCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M18 compound treatment 0.49 0.013 0.41 0.498 0.00908 0.27 0.4786 0.9796 3068369 PK04_096250 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M19 compound treatment 0.512 0.035 1.1 0.516 0.0271 0.8 1.3449 0.988 3186727 PK04_096251 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M20 compound treatment 0.494 0.017 0.53 0.493 0.00408 0.12 0.4628 0.8459 3186984 PK04_096252 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M21 compound treatment 0.487 0.00997 0.31 0.479 -0.00992 -0.29 0.0138 0.0321 3068372 PK04_096253 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M22 compound treatment 0.515 0.038 1.19 0.517 0.0281 0.83 1.4325 0.9844 3186721 PK04_096254 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5I)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M23 compound treatment 0.512 0.035 1.1 0.505 0.0161 0.48 1.1144 0.93 3068316 PK04_096255 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 M24 compound treatment 0.529 0.052 1.63 0.519 0.0301 0.89 1.7857 0.9594 3068283 PK04_096256 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N01 compound treatment 0.529 0.052 1.63 0.507 0.0181 0.54 1.5343 0.8922 1694663 PK04_096257 Cc1c(NC(=O)CC#N)c(=O)n(c2ccccc2)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N02 compound treatment 0.486 0.00897 0.28 0.499 0.0101 0.3 0.4106 0.9996 3187226 PK04_096258 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C)C=C(CCCO)C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N03 compound treatment 0.479 0.00197 0.06 0.485 -0.00392 -0.12 -0.0384 -0.2915 3068949 PK04_096259 Cc1ccccc1/C=C/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N04 compound treatment 0.483 0.00597 0.19 0.506 0.0171 0.51 0.4906 0.9088 3187227 PK04_096260 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)c2ccc(CN3CCCC3)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N05 compound treatment 0.482 0.00497 0.16 0.481 -0.00792 -0.23 -0.0555 -0.1968 3068950 PK04_096261 CCOc1ccc(cc1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N06 compound treatment 0.492 0.015 0.47 0.484 -0.00492 -0.15 0.2297 0.4662 3187228 PK04_096262 Oc1ccc2cc[n+](Cc3cccc(OC(F)(F)F)c3)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N07 compound treatment 0.482 0.00497 0.16 0.49 0.00108 0.03 0.1331 0.8346 3068951 PK04_096263 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N08 compound treatment 0.491 0.014 0.44 0.5 0.0111 0.33 0.5427 0.9897 3187299 PK04_096264 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4cccs4)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N09 mock treatment 0.459 -0.018 -0.57 0.468 -0.0209 -0.62 -0.8392 -0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N10 mock treatment 0.482 0.00497 0.16 0.481 -0.00792 -0.23 -0.0555 -0.1968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N11 compound treatment 0.485 0.00797 0.25 0.485 -0.00392 -0.12 0.095 0.3441 3068985 PK04_096265 Cc1cc(C)cc(c1)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N12 compound treatment 0.493 0.016 0.5 0.49 0.00108 0.03 0.3777 0.7506 3187300 PK04_096266 COc1cc2CCN(C)C(c3ccc(CN4CCCC4)cc3)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N13 mock treatment 0.478 9.69E-4 0.03 0.472 -0.0169 -0.5 -0.333 -0.6629 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N14 mock treatment 0.471 -0.00603 -0.19 0.47 -0.0189 -0.56 -0.5305 -0.8964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N15 compound treatment 0.475 -0.00203 -0.06 0.484 -0.00492 -0.15 -0.1483 -0.9314 3068986 PK04_096267 COc1ccc(/C=C/C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N16 compound treatment 0.488 0.011 0.34 0.491 0.00208 0.06 0.2874 0.8204 3187301 PK04_096268 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N17 compound treatment 0.481 0.00397 0.12 0.473 -0.0159 -0.47 -0.2453 -0.5028 3068987 PK04_096269 Cc1cccc(/C=C/C=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N18 compound treatment 0.478 9.69E-4 0.03 0.463 -0.0259 -0.77 -0.5216 -0.6785 3068988 PK04_096270 OCCCc1cc[n+](Cc2sc3ccccc3c2Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N19 compound treatment 0.469 -0.00803 -0.25 0.477 -0.0119 -0.35 -0.4283 -0.9865 3068989 PK04_096271 Cc1ccc(/C=C/C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N20 compound treatment 0.556 0.079 2.48 0.553 0.0641 1.9 3.0984 0.9912 3187302 PK04_096272 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N21 compound treatment 0.473 -0.00403 -0.13 0.47 -0.0189 -0.56 -0.4861 -0.8456 3068990 PK04_096273 COc1cccc(/C=C/C=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N22 compound treatment 0.47 -0.00703 -0.22 0.467 -0.0219 -0.65 -0.6156 -0.8972 3068991 PK04_096274 Oc1ccc2cc[n+](Cc3cc4OCOc4cc3Br)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N23 compound treatment 0.483 0.00597 0.19 0.474 -0.0149 -0.44 -0.1799 -0.3746 3187303 PK04_096275 Clc1ccccc1/C=C/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 N24 compound treatment 0.514 0.037 1.16 0.528 0.0391 1.16 1.6408 1.0 3187304 PK04_096276 CN/1C(C=C(C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(CO)cc4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O01 compound treatment 0.533 0.056 1.76 0.53 0.0411 1.22 2.1051 0.9838 3186631 PK04_096277 CC(C)CN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(Cc4ccccc4C(F)(F)F)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O02 compound treatment 0.473 -0.00403 -0.13 0.512 0.0231 0.68 0.3939 0.5664 3067615 PK04_096278 OCc1ccc2[C@H]3N(CC4(CC5CC6CC(C5)C4)C6)C(=O)C[C@@]3(C(=O)N(CC(F)(F)F)c2c1)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O03 compound treatment 0.492 0.015 0.47 0.501 0.0121 0.36 0.5859 0.9909 3186715 PK04_096279 CC(C)N1[C@H](c2ccc(CO)cc2I)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O04 compound treatment 0.472 -0.00503 -0.16 0.474 -0.0149 -0.44 -0.4245 -0.904 3068363 PK04_096280 CC(C)NC(=O)[C@]1(CC(=O)N(C(C)C)[C@@H]1c2ccc(CO)cc2)Sc3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O05 compound treatment 0.506 0.029 0.91 0.55 0.0611 1.81 1.9239 0.9495 3068310 PK04_096281 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3C(F)(F)F)[C@@H]2c4ccc(CO)cc4I)C(=O)NCC(F)(F)F)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O06 compound treatment 0.455 -0.022 -0.69 0.487 -0.00192 -0.06 -0.5301 -0.7626 3068196 PK04_096282 COc1ccccc1CN2[C@@H](c3ccc(CO)cc3)[C@]4(Cc5ccccc5N(CCN6CCOCC6)C4=O)c7ccccc7C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O07 compound treatment 0.511 0.034 1.07 0.512 0.0231 0.68 1.2388 0.9768 3068277 PK04_096283 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)Sc5ccc(C)cc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O08 compound treatment 0.508 0.031 0.97 0.498 0.00908 0.27 0.8788 0.8699 3186720 PK04_096284 CC(C)NC(=O)[C@]1(CC(=O)N(C2Cc3ccccc3C2)[C@@H]1c4ccc(CO)cc4I)Sc5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O09 compound treatment 0.495 0.018 0.57 0.498 0.00908 0.27 0.5898 0.9424 3186632 PK04_096285 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3C(F)(F)F)C(=O)c4ccccc4[C@]52Cc6ccccc6N(CCN7CCOCC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O10 compound treatment 0.471 -0.00603 -0.19 0.479 -0.00992 -0.29 -0.342 -0.9775 3068157 PK04_096286 COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc24)[C@@H](N(C5CCCCC5)C(=O)c6ccccc63)c7ccc(CO)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O11 mock treatment 0.5 0.023 0.72 0.481 -0.00792 -0.23 0.3447 0.4539 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O12 mock treatment 0.49 0.013 0.41 0.483 -0.00592 -0.18 0.1643 0.3701 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O13 compound treatment 0.484 0.00697 0.22 0.49 0.00108 0.03 0.1776 0.8018 3186874 PK04_096287 CC(C)N1[C@H](c2ccc(CO)cc2)[C@@](CC1=O)(Sc3ccc(C)cc3)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O14 compound treatment 0.477 -3.13E-5 0.0 0.477 -0.0119 -0.35 -0.2505 -0.7091 3068138 PK04_096288 COCCCN1C(=O)[C@]2(CC(=O)N(CC3(CC4CC5CC(C4)C3)C5)[C@@H]2c6ccc(CO)cc16)c7ccc(cc7)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O15 compound treatment 0.51 0.033 1.04 0.52 0.0311 0.92 1.3842 0.9983 3186972 PK04_096289 CC(C)CNC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O16 compound treatment 0.507 0.03 0.94 0.505 0.0161 0.48 1.0032 0.9501 3186981 PK04_096290 COCCCNC(=O)[C@]1(CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O17 compound treatment 0.506 0.029 0.91 0.513 0.0241 0.71 1.1486 0.9927 3186709 PK04_096291 Cc1ccc(S[C@@]2(CC(=O)N([C@@H]2c3ccc(CO)cc3I)C4CCCCC4)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O18 compound treatment 0.521 0.044 1.38 0.522 0.0331 0.98 1.6707 0.9858 3186725 PK04_096292 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3Cl)[C@@H]2c4ccc(CO)cc4I)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O19 compound treatment 0.522 0.045 1.41 0.511 0.0221 0.65 1.4625 0.9387 3068321 PK04_096293 Cc1ccc(S[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccc(CO)cc4I)C(=O)NC5CC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O20 compound treatment 0.477 -3.13E-5 0.0 0.477 -0.0119 -0.35 -0.2505 -0.7091 3068192 PK04_096294 COCCCN1C(=O)[C@]2(Cc3ccccc13)[C@@H](N(C4CCCCC4)C(=O)c5ccccc52)c6ccc(CO)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O21 compound treatment 0.486 0.00897 0.28 0.493 0.00408 0.12 0.2849 0.9285 3068201 PK04_096295 OCc1ccc(cc1)[C@@H]2N(Cc3ccccc3Cl)C(=O)c4ccccc4[C@]52Cc6ccccc6N(C7CC7)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O22 compound treatment 0.498 0.021 0.66 0.5 0.0111 0.33 0.6984 0.9482 3068381 PK04_096296 CC(C)NC(=O)[C@]1(CC(=O)N(Cc2ccccc2C(F)(F)F)[C@@H]1c3ccc(CO)cc3)Sc4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O23 compound treatment 0.504 0.027 0.85 0.522 0.0331 0.98 1.2927 0.9974 3186880 PK04_096297 Cc1ccc(S[C@@]2(CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c5ccc(CO)cc5)C(=O)NCc6ccccc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 O24 compound treatment 0.513 0.036 1.13 0.51 0.0211 0.62 1.2414 0.9608 3186977 PK04_096298 Cc1ccc(S[C@@]2(CC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]2c4ccc(CO)cc4)C(=O)NCCN5CCOCC5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P01 compound treatment 0.533 0.056 1.76 0.532 0.0431 1.28 2.147 0.9876 3068992 PK04_096299 Cc1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P02 compound treatment 0.511 0.034 1.07 0.521 0.0321 0.95 1.4274 0.9983 3187305 PK04_096300 COC(=O)C1=CN(C)C(C=C(CCCO)C=C1C(=O)OC)C2CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P03 compound treatment 0.521 0.044 1.38 0.553 0.0641 1.9 2.3202 0.9878 3187306 PK04_096301 COc1cccc(/C=C(\C#N)/C(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P04 compound treatment 0.588 0.111 3.49 0.68 0.191 5.66 6.4709 0.973 3068993 PK04_096302 COc1cc2CC[N+](=Cc2cc1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P05 compound treatment 0.505 0.028 0.88 0.55 0.0611 1.81 1.9016 0.945 3068994 PK04_096303 Cc1c(NC(=O)/C(=C/c2ccccc2Cl)/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P06 compound treatment 0.568 0.091 2.86 0.644 0.155 4.6 5.2719 0.974 3187307 PK04_096304 COc1cc2CCN(Cc3cccc(OC(F)(F)F)c3)C(c4cccs4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P07 compound treatment 0.506 0.029 0.91 0.536 0.0471 1.4 1.6305 0.9787 3187308 PK04_096305 Cc1c(NC(=O)/C(=C/c2ccc(Cl)cc2)/C#N)c(=O)n(c3ccccc3)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P08 compound treatment 0.514 0.037 1.16 0.533 0.0441 1.31 1.7455 0.9983 3068995 PK04_096306 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P09 compound treatment 0.512 0.035 1.1 0.506 0.0171 0.51 1.1354 0.938 1972122 PK04_096307 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P10 compound treatment 0.517 0.04 1.26 0.527 0.0381 1.13 1.6865 0.9986 3187309 PK04_096308 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P11 mock treatment 0.495 0.018 0.57 0.479 -0.00992 -0.29 0.1917 0.3009 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P12 mock treatment 0.513 0.036 1.13 0.513 0.0241 0.71 1.3043 0.9753 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P13 compound treatment 0.52 0.043 1.35 0.516 0.0271 0.8 1.5227 0.969 3068996 PK04_096309 Clc1ccc(/C=C/C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P14 compound treatment 0.523 0.046 1.45 0.537 0.0481 1.42 2.0295 1.0 3187310 PK04_096310 COc1cc2CC[N+](=Cc2cc1O)Cc3cccc(OC(F)(F)F)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P15 compound treatment 0.534 0.057 1.79 0.513 0.0241 0.71 1.7712 0.9186 3068997 PK04_096311 O=C/C=C/c1ccc2OCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P16 compound treatment 0.509 0.032 1.01 0.515 0.0261 0.77 1.2572 0.9916 3187311 PK04_096312 COC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OC)c3ccc(CN4CCCC4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P17 compound treatment 0.546 0.069 2.17 0.555 0.0661 1.96 2.918 0.9987 3068998 PK04_096313 O=C/C=C/c1ccc(cc1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P18 compound treatment 0.525 0.048 1.51 0.53 0.0411 1.22 1.9273 0.9943 3187312 PK04_096314 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P19 compound treatment 0.496 0.019 0.6 0.504 0.0151 0.45 0.7377 0.9899 3187313 PK04_096315 O=C/C=C/c1ccc(\C=C\c2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P20 compound treatment 0.531 0.054 1.7 0.538 0.0491 1.45 2.2283 0.997 3187314 PK04_096316 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(c4cccs4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P21 compound treatment 0.513 0.036 1.13 0.515 0.0261 0.77 1.3462 0.9828 3069028 PK04_096317 [O-][N+](=O)c1cccc(c1)C2N(C(=O)CS2(=O)=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P22 compound treatment 0.537 0.06 1.89 0.522 0.0331 0.98 2.0264 0.9535 3187315 PK04_096318 COC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OC)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P23 compound treatment 0.546 0.069 2.17 0.532 0.0431 1.28 2.4361 0.9681 3069029 PK04_096319 CCOc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2096 P24 compound treatment 0.535 0.058 1.82 0.547 0.0581 1.72 2.5058 0.9996 3187316 PK04_096320 COC(=O)C1=CN(C)C(C=C(C=C1C(=O)OC)c2ccc(CO)cc2)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A01 compound treatment 0.518 0.0358 1.13 0.504 0.0228 0.67 1.2733 0.97 2141518 PK04_097001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A02 compound treatment 0.512 0.0298 0.94 0.519 0.0378 1.12 1.4541 0.9961 2141905 PK04_097002 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A03 compound treatment 0.504 0.0218 0.69 0.519 0.0378 1.12 1.2763 0.9724 2141091 PK04_097003 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A04 compound treatment 0.451 -0.0312 -0.98 0.472 -0.00923 -0.27 -0.8869 -0.8711 2141692 PK04_097004 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A05 compound treatment 0.502 0.0198 0.62 0.5 0.0188 0.56 0.8337 0.9984 2141533 PK04_097005 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A06 compound treatment 0.496 0.0138 0.43 0.492 0.0108 0.32 0.5327 0.9885 2141714 PK04_097006 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A07 compound treatment 0.494 0.0118 0.37 0.492 0.0108 0.32 0.4882 0.9971 2141463 PK04_097007 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A08 compound treatment 0.515 0.0328 1.03 0.516 0.0348 1.03 1.458 1.0 2141076 PK04_097008 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A09 compound treatment 0.523 0.0408 1.28 0.512 0.0308 0.91 1.552 0.986 2141109 PK04_097009 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A10 compound treatment 0.498 0.0158 0.5 0.494 0.0128 0.38 0.619 0.9909 2141546 PK04_097010 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A11 compound treatment 0.521 0.0388 1.22 0.523 0.0418 1.24 1.7381 1.0 2141079 PK04_097011 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A12 compound treatment 0.492 0.00981 0.31 0.496 0.0148 0.44 0.5275 0.9854 2141141 PK04_097012 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A13 mock treatment 0.498 0.0158 0.5 0.508 0.0268 0.79 0.9124 0.9747 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A14 mock treatment 0.479 -0.00319 -0.1 0.482 7.66E-4 0.02 -0.0548 -0.5336 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A15 compound treatment 0.51 0.0278 0.87 0.503 0.0218 0.64 1.0744 0.9888 2141882 PK04_097013 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A16 compound treatment 0.469 -0.0132 -0.41 0.468 -0.0132 -0.39 -0.5705 -0.9996 2141936 PK04_097014 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A17 compound treatment 0.46 -0.0222 -0.7 0.482 7.66E-4 0.02 -0.4773 -0.6838 2141372 PK04_097015 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A18 compound treatment 0.483 8.12E-4 0.03 0.482 7.66E-4 0.02 0.0341 0.9982 2141092 PK04_097016 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A19 compound treatment 0.48 -0.00219 -0.07 0.483 0.00177 0.05 -0.0116 -0.1347 2141344 PK04_097017 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A20 compound treatment 0.483 8.12E-4 0.03 0.48 -0.00123 -0.04 -0.0078 -0.1748 2141115 PK04_097018 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A21 compound treatment 0.442 -0.0402 -1.26 0.454 -0.0272 -0.81 -1.4642 -0.9765 2141570 PK04_097019 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A22 compound treatment 0.46 -0.0222 -0.7 0.473 -0.00823 -0.24 -0.6658 -0.9009 2141549 PK04_097020 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A23 compound treatment 0.468 -0.0142 -0.45 0.484 0.00277 0.08 -0.2575 -0.5677 2141876 PK04_097021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 A24 compound treatment 0.478 -0.00419 -0.13 0.48 -0.00123 -0.04 -0.119 -0.8706 2141753 PK04_097022 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B01 compound treatment 0.522 0.0398 1.25 0.512 0.0308 0.91 1.5298 0.9879 2141940 PK04_097023 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B02 compound treatment 0.485 0.00281 0.09 0.481 -2.34E-4 -0.01 0.0576 0.6496 2142685 PK04_097024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B03 compound treatment 0.485 0.00281 0.09 0.465 -0.0162 -0.48 -0.2776 -0.5676 2141335 PK04_097025 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B04 compound treatment 0.479 -0.00319 -0.1 0.478 -0.00323 -0.1 -0.1386 -0.9997 2143933 PK04_097026 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B05 compound treatment 0.484 0.00181 0.06 0.478 -0.00323 -0.1 -0.0275 -0.2464 2141445 PK04_097027 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B06 compound treatment 0.498 0.0158 0.5 0.479 -0.00223 -0.07 0.3048 0.6076 2144925 PK04_097028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B07 compound treatment 0.516 0.0338 1.06 0.507 0.0258 0.76 1.2916 0.9868 2141881 PK04_097029 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B08 compound treatment 0.482 -1.88E-4 -0.01 0.473 -0.00823 -0.24 -0.1767 -0.724 2144289 PK04_097030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B09 compound treatment 0.497 0.0148 0.47 0.488 0.00677 0.2 0.4711 0.9291 2141150 PK04_097031 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B10 compound treatment 0.493 0.0108 0.34 0.481 -2.34E-4 -0.01 0.2355 0.6925 2144633 PK04_097032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B11 compound treatment 0.474 -0.00819 -0.26 0.485 0.00377 0.11 -0.1031 -0.3676 2141161 PK04_097033 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B12 compound treatment 0.486 0.00381 0.12 0.484 0.00277 0.08 0.1427 0.9828 2144765 PK04_097034 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B13 mock treatment 0.473 -0.00919 -0.29 0.499 0.0178 0.53 0.168 0.2797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B14 mock treatment 0.469 -0.0132 -0.41 0.481 -2.34E-4 -0.01 -0.2981 -0.7188 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B15 compound treatment 0.48 -0.00219 -0.07 0.474 -0.00723 -0.21 -0.2002 -0.8893 2141135 PK04_097035 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B16 compound treatment 0.478 -0.00419 -0.13 0.493 0.0118 0.35 0.1534 0.4117 2144753 PK04_097036 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B17 compound treatment 0.481 -0.00119 -0.04 0.501 0.0198 0.59 0.3877 0.6607 2141225 PK04_097037 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B18 compound treatment 0.527 0.0448 1.41 0.515 0.0338 1.0 1.7038 0.9859 2144045 PK04_097038 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B19 compound treatment 0.501 0.0188 0.59 0.497 0.0158 0.47 0.7486 0.9932 2141420 PK04_097039 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B20 compound treatment 0.469 -0.0132 -0.41 0.493 0.0118 0.35 -0.0467 -0.0862 2144377 PK04_097040 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B21 compound treatment 0.475 -0.00719 -0.23 0.487 0.00577 0.17 -0.039 -0.1377 2141808 PK04_097041 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B22 compound treatment 0.465 -0.0172 -0.54 0.493 0.0118 0.35 -0.1356 -0.2109 2143265 PK04_097042 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B23 compound treatment 0.478 -0.00419 -0.13 0.475 -0.00623 -0.18 -0.2237 -0.9862 2141931 PK04_097043 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 B24 compound treatment 0.499 0.0168 0.53 0.504 0.0228 0.67 0.8508 0.9927 2142705 PK04_097044 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C01 compound treatment 0.484 0.00181 0.06 0.524 0.0428 1.27 0.9364 0.7382 2141223 PK04_097045 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C02 compound treatment 0.463 -0.0192 -0.6 0.475 -0.00623 -0.18 -0.5572 -0.8831 2141108 PK04_097046 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C03 compound treatment 0.481 -0.00119 -0.04 0.461 -0.0202 -0.6 -0.4504 -0.7497 2141329 PK04_097047 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C04 compound treatment 0.49 0.00781 0.25 0.47 -0.0112 -0.33 -0.0617 -0.1491 2141703 PK04_097048 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C05 compound treatment 0.475 -0.00719 -0.23 0.466 -0.0152 -0.45 -0.479 -0.9488 2065845 PK04_097049 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C06 compound treatment 0.478 -0.00419 -0.13 0.453 -0.0282 -0.84 -0.6847 -0.8084 2141782 PK04_097050 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C07 compound treatment 0.474 -0.00819 -0.26 0.479 -0.00223 -0.07 -0.2289 -0.8609 2141574 PK04_097051 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C08 compound treatment 0.436 -0.0462 -1.45 0.432 -0.0492 -1.46 -2.0585 -1.0 2141856 PK04_097052 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C09 compound treatment 0.491 0.00881 0.28 0.492 0.0108 0.32 0.4215 0.9975 2141751 PK04_097053 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C10 compound treatment 0.478 -0.00419 -0.13 0.469 -0.0122 -0.36 -0.3494 -0.906 2141441 PK04_097054 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C11 mock treatment 0.464 -0.0182 -0.57 0.474 -0.00723 -0.21 -0.556 -0.9103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C12 mock treatment 0.464 -0.0182 -0.57 0.466 -0.0152 -0.45 -0.7236 -0.9931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C13 compound treatment 0.501 0.0188 0.59 0.52 0.0388 1.15 1.2305 0.9524 2141937 PK04_097055 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C14 compound treatment 0.532 0.0498 1.57 0.527 0.0458 1.36 2.0664 0.9974 2141727 PK04_097056 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C15 mock treatment 0.464 -0.0182 -0.57 0.465 -0.0162 -0.48 -0.7445 -0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C16 mock treatment 0.47 -0.0122 -0.38 0.476 -0.00523 -0.16 -0.3806 -0.9207 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C17 compound treatment 0.499 0.0168 0.53 0.496 0.0148 0.44 0.6832 0.9956 2141078 PK04_097057 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C18 compound treatment 0.467 -0.0152 -0.48 0.476 -0.00523 -0.16 -0.4474 -0.891 2141467 PK04_097058 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C19 compound treatment 0.452 -0.0302 -0.95 0.471 -0.0102 -0.3 -0.8856 -0.8888 2141339 PK04_097059 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C20 compound treatment 0.489 0.00681 0.21 0.481 -2.34E-4 -0.01 0.1466 0.6838 2141364 PK04_097060 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C21 compound treatment 0.449 -0.0332 -1.04 0.443 -0.0382 -1.13 -1.539 -0.9992 2141370 PK04_097061 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C22 compound treatment 0.477 -0.00519 -0.16 0.471 -0.0102 -0.3 -0.3298 -0.9577 2141489 PK04_097062 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C23 compound treatment 0.497 0.0148 0.47 0.475 -0.00623 -0.18 0.1987 0.3966 2141706 PK04_097063 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 C24 compound treatment 0.489 0.00681 0.21 0.475 -0.00623 -0.18 0.0208 0.0737 2141172 PK04_097064 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D01 compound treatment 0.486 0.00381 0.12 0.498 0.0168 0.5 0.4361 0.8532 2141788 PK04_097065 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D02 compound treatment 0.479 -0.00319 -0.1 0.476 -0.00523 -0.16 -0.1805 -0.9777 2143973 PK04_097066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D03 compound treatment 0.47 -0.0122 -0.38 0.464 -0.0172 -0.51 -0.6321 -0.99 2141854 PK04_097067 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D04 compound treatment 0.492 0.00981 0.31 0.487 0.00577 0.17 0.339 0.9611 2141969 PK04_097068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D05 compound treatment 0.466 -0.0162 -0.51 0.47 -0.0112 -0.33 -0.5953 -0.9788 2141087 PK04_097069 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D06 compound treatment 0.492 0.00981 0.31 0.485 0.00377 0.11 0.2971 0.9054 2144657 PK04_097070 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D07 compound treatment 0.458 -0.0242 -0.76 0.455 -0.0262 -0.78 -1.0875 -0.9999 2141768 PK04_097071 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D08 compound treatment 0.479 -0.00319 -0.1 0.474 -0.00723 -0.21 -0.2225 -0.94 2144733 PK04_097072 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D09 compound treatment 0.479 -0.00319 -0.1 0.48 -0.00123 -0.04 -0.0967 -0.9067 2141552 PK04_097073 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D10 compound treatment 0.49 0.00781 0.25 0.497 0.0158 0.47 0.504 0.955 2143885 PK04_097074 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D11 mock treatment 0.471 -0.0112 -0.35 0.47 -0.0112 -0.33 -0.4841 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D12 mock treatment 0.479 -0.00319 -0.1 0.471 -0.0102 -0.3 -0.2853 -0.8933 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D13 compound treatment 0.463 -0.0192 -0.6 0.453 -0.0282 -0.84 -1.0182 -0.9871 2141513 PK04_097075 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D14 compound treatment 0.503 0.0208 0.65 0.481 -2.34E-4 -0.01 0.4578 0.6996 2144449 PK04_097076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D15 mock treatment 0.464 -0.0182 -0.57 0.471 -0.0102 -0.3 -0.6188 -0.956 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D16 mock treatment 0.483 8.12E-4 0.03 0.467 -0.0142 -0.42 -0.2802 -0.6631 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D17 compound treatment 0.484 0.00181 0.06 0.484 0.00277 0.08 0.0982 0.9842 2141816 PK04_097077 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D18 compound treatment 0.475 -0.00719 -0.23 0.481 -2.34E-4 -0.01 -0.1647 -0.7285 2142085 PK04_097078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D19 compound treatment 0.459 -0.0232 -0.73 0.469 -0.0122 -0.36 -0.7719 -0.948 2141432 PK04_097079 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D20 compound treatment 0.496 0.0138 0.43 0.491 0.00977 0.29 0.5117 0.9805 2144825 PK04_097080 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D21 compound treatment 0.484 0.00181 0.06 0.476 -0.00523 -0.16 -0.0694 -0.4198 2141123 PK04_097081 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D22 compound treatment 0.475 -0.00719 -0.23 0.464 -0.0172 -0.51 -0.5209 -0.9328 2144893 PK04_097082 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D23 compound treatment 0.468 -0.0142 -0.45 0.478 -0.00323 -0.1 -0.3832 -0.8399 2141421 PK04_097083 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 D24 compound treatment 0.487 0.00481 0.15 0.482 7.66E-4 0.02 0.123 0.8041 2143085 PK04_097084 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E01 mock treatment 0.492 0.00981 0.31 0.491 0.00977 0.29 0.4228 0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E02 mock treatment 0.482 -1.88E-4 -0.01 0.468 -0.0132 -0.39 -0.2815 -0.7177 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E03 compound treatment 0.43 -0.0522 -1.64 0.422 -0.0592 -1.76 -2.4015 -0.9994 2141878 PK04_097085 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E04 compound treatment 0.474 -0.00819 -0.26 0.48 -0.00123 -0.04 -0.2079 -0.7995 2141520 PK04_097086 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E05 compound treatment 0.479 -0.00319 -0.1 0.475 -0.00623 -0.18 -0.2015 -0.9587 2141359 PK04_097087 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E06 compound treatment 0.485 0.00281 0.09 0.495 0.0138 0.41 0.351 0.8409 2141507 PK04_097088 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E07 compound treatment 0.476 -0.00619 -0.19 0.498 0.0168 0.5 0.2137 0.4006 2141863 PK04_097089 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E08 compound treatment 0.474 -0.00819 -0.26 0.478 -0.00323 -0.1 -0.2498 -0.9094 2141163 PK04_097090 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E09 mock treatment 0.473 -0.00919 -0.29 0.485 0.00377 0.11 -0.1254 -0.4048 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E10 mock treatment 0.491 0.00881 0.28 0.476 -0.00523 -0.16 0.0863 0.2716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E11 compound treatment 0.499 0.0168 0.53 0.482 7.66E-4 0.02 0.3898 0.7368 2141456 PK04_097091 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E12 compound treatment 0.52 0.0378 1.19 0.511 0.0298 0.88 1.4644 0.9892 2141683 PK04_097092 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E13 compound treatment 0.482 -1.88E-4 -0.01 0.477 -0.00423 -0.13 -0.0929 -0.7395 2141357 PK04_097093 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E14 compound treatment 0.483 8.12E-4 0.03 0.492 0.0108 0.32 0.2436 0.7613 2141366 PK04_097094 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E15 compound treatment 0.493 0.0108 0.34 0.489 0.00777 0.23 0.4031 0.9819 2141575 PK04_097095 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E16 compound treatment 0.487 0.00481 0.15 0.477 -0.00423 -0.13 0.0183 0.093 2141485 PK04_097096 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E17 mock treatment 0.487 0.00481 0.15 0.476 -0.00523 -0.16 -0.0027 -0.0123 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E18 mock treatment 0.479 -0.00319 -0.1 0.482 7.66E-4 0.02 -0.0548 -0.5336 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E19 compound treatment 0.479 -0.00319 -0.1 0.485 0.00377 0.11 0.008 0.0535 2141377 PK04_097097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E20 compound treatment 0.482 -1.88E-4 -0.01 0.478 -0.00323 -0.1 -0.0719 -0.7492 2141326 PK04_097098 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E21 compound treatment 0.451 -0.0312 -0.98 0.462 -0.0192 -0.57 -1.0964 -0.9667 2141702 PK04_097099 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E22 compound treatment 0.491 0.00881 0.28 0.501 0.0198 0.59 0.6101 0.9416 2141417 PK04_097100 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E23 compound treatment 0.466 -0.0162 -0.51 0.468 -0.0132 -0.39 -0.6372 -0.9917 2141167 PK04_097101 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 E24 compound treatment 0.483 8.12E-4 0.03 0.48 -0.00123 -0.04 -0.0078 -0.1748 2141113 PK04_097102 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F01 mock treatment 0.493 0.0108 0.34 0.498 0.0168 0.5 0.5917 0.9829 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F02 mock treatment 0.487 0.00481 0.15 0.474 -0.00723 -0.21 -0.0446 -0.1699 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F03 compound treatment 0.488 0.00581 0.18 0.491 0.00977 0.29 0.3339 0.9754 2141216 PK04_097103 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F04 compound treatment 0.483 8.12E-4 0.03 0.478 -0.00323 -0.1 -0.0497 -0.5011 2142933 PK04_097104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F05 compound treatment 0.472 -0.0102 -0.32 0.483 0.00177 0.05 -0.1895 -0.5839 2141355 PK04_097105 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F06 compound treatment 0.464 -0.0182 -0.57 0.461 -0.0202 -0.6 -0.8283 -0.9997 2142833 PK04_097106 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F07 compound treatment 0.493 0.0108 0.34 0.476 -0.00523 -0.16 0.1307 0.3498 2141414 PK04_097107 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F08 compound treatment 0.503 0.0208 0.65 0.498 0.0168 0.5 0.814 0.9908 2144249 PK04_097108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F09 mock treatment 0.483 8.12E-4 0.03 0.498 0.0168 0.5 0.3693 0.7425 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F10 mock treatment 0.484 0.00181 0.06 0.483 0.00177 0.05 0.0773 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F11 compound treatment 0.524 0.0418 1.31 0.507 0.0258 0.76 1.4695 0.9666 2141568 PK04_097109 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F12 compound treatment 0.536 0.0538 1.69 0.529 0.0478 1.42 2.1973 0.9961 2142765 PK04_097110 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F13 compound treatment 0.496 0.0138 0.43 0.481 -2.34E-4 -0.01 0.3022 0.6957 2141348 PK04_097111 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F14 compound treatment 0.485 0.00281 0.09 0.493 0.0118 0.35 0.3091 0.8593 2142645 PK04_097112 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F15 compound treatment 0.512 0.0298 0.94 0.5 0.0188 0.56 1.056 0.9689 2141505 PK04_097113 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F16 compound treatment 0.495 0.0128 0.4 0.486 0.00477 0.14 0.3847 0.9012 2142977 PK04_097114 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F17 mock treatment 0.487 0.00481 0.15 0.492 0.0108 0.32 0.3326 0.9419 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F18 mock treatment 0.483 8.12E-4 0.03 0.508 0.0268 0.79 0.5789 0.7295 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F19 compound treatment 0.483 8.12E-4 0.03 0.495 0.0138 0.41 0.3065 0.7499 2141200 PK04_097115 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F20 compound treatment 0.5 0.0178 0.56 0.478 -0.00323 -0.1 0.3283 0.5777 2142045 PK04_097116 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F21 compound treatment 0.483 8.12E-4 0.03 0.483 0.00177 0.05 0.0551 0.9457 2141938 PK04_097117 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F22 compound treatment 0.49 0.00781 0.25 0.492 0.0108 0.32 0.3993 0.9917 2144373 PK04_097118 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F23 compound treatment 0.509 0.0268 0.84 0.486 0.00477 0.14 0.696 0.8142 2141419 PK04_097119 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 F24 compound treatment 0.52 0.0378 1.19 0.497 0.0158 0.47 1.1711 0.9167 2142769 PK04_097120 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G01 compound treatment 0.502 0.0198 0.62 0.495 0.0138 0.41 0.7289 0.9789 2141178 PK04_097121 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G02 compound treatment 0.492 0.00981 0.31 0.485 0.00377 0.11 0.2971 0.9054 2141487 PK04_097122 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G03 mock treatment 0.466 -0.0162 -0.51 0.484 0.00277 0.08 -0.302 -0.5857 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G04 mock treatment 0.471 -0.0112 -0.35 0.479 -0.00223 -0.07 -0.2956 -0.8257 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G05 compound treatment 0.489 0.00681 0.21 0.496 0.0148 0.44 0.4608 0.946 2141519 PK04_097123 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G06 compound treatment 0.446 -0.0362 -1.14 0.459 -0.0222 -0.66 -1.2705 -0.9662 2141537 PK04_097124 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G07 compound treatment 0.483 8.12E-4 0.03 0.501 0.0198 0.59 0.4322 0.7372 2141722 PK04_097125 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G08 compound treatment 0.486 0.00381 0.12 0.488 0.00677 0.2 0.2265 0.9698 2141577 PK04_097126 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G09 compound treatment 0.492 0.00981 0.31 0.5 0.0188 0.56 0.6114 0.9614 2141458 PK04_097127 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G10 compound treatment 0.493 0.0108 0.34 0.471 -0.0102 -0.3 0.026 0.057 2141190 PK04_097128 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G11 compound treatment 0.499 0.0168 0.53 0.5 0.0188 0.56 0.767 0.9997 2141333 PK04_097129 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G12 compound treatment 0.495 0.0128 0.4 0.5 0.0188 0.56 0.6781 0.9875 2141508 PK04_097130 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G13 compound treatment 0.5 0.0178 0.56 0.508 0.0268 0.79 0.9569 0.9855 2141118 PK04_097131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G14 compound treatment 0.523 0.0408 1.28 0.519 0.0378 1.12 1.6987 0.9977 2141927 PK04_097132 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G15 compound treatment 0.515 0.0328 1.03 0.528 0.0468 1.39 1.7094 0.9894 2141159 PK04_097133 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G16 compound treatment 0.444 -0.0382 -1.2 0.454 -0.0272 -0.81 -1.4197 -0.9813 2141713 PK04_097134 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G17 compound treatment 0.486 0.00381 0.12 0.485 0.00377 0.11 0.1637 0.9994 2141795 PK04_097135 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G18 compound treatment 0.492 0.00981 0.31 0.495 0.0138 0.41 0.5066 0.9905 2141553 PK04_097136 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G19 mock treatment 0.486 0.00381 0.12 0.481 -2.34E-4 -0.01 0.0799 0.665 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G20 mock treatment 0.462 -0.0202 -0.63 0.463 -0.0182 -0.54 -0.8309 -0.9968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G21 compound treatment 0.48 -0.00219 -0.07 0.489 0.00777 0.23 0.1141 0.475 2141819 PK04_097137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G22 compound treatment 0.462 -0.0202 -0.63 0.466 -0.0152 -0.45 -0.768 -0.9861 2141516 PK04_097138 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G23 compound treatment 0.477 -0.00519 -0.16 0.482 7.66E-4 0.02 -0.0993 -0.603 2141691 PK04_097139 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 G24 compound treatment 0.509 0.0268 0.84 0.504 0.0228 0.67 1.0731 0.9939 2141155 PK04_097140 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H01 compound treatment 0.512 0.0298 0.94 0.489 0.00777 0.23 0.8256 0.8553 2141157 PK04_097141 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H02 compound treatment 0.482 -1.88E-4 -0.01 0.484 0.00277 0.08 0.0538 0.6545 2143037 PK04_097142 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H03 mock treatment 0.464 -0.0182 -0.57 0.467 -0.0142 -0.42 -0.7026 -0.9888 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H04 mock treatment 0.502 0.0198 0.62 0.492 0.0108 0.32 0.6661 0.9517 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H05 compound treatment 0.492 0.00981 0.31 0.476 -0.00523 -0.16 0.1085 0.3142 2141926 PK04_097143 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H06 compound treatment 0.493 0.0108 0.34 0.495 0.0138 0.41 0.5288 0.9959 2143177 PK04_097144 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H07 compound treatment 0.504 0.0218 0.69 0.502 0.0208 0.62 0.9201 0.9985 2141694 PK04_097145 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H08 compound treatment 0.495 0.0128 0.4 0.479 -0.00223 -0.07 0.2381 0.5831 2143025 PK04_097146 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H09 compound treatment 0.532 0.0498 1.57 0.527 0.0458 1.36 2.0664 0.9974 2141749 PK04_097147 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H10 compound treatment 0.507 0.0248 0.78 0.504 0.0228 0.67 1.0287 0.9974 2143077 PK04_097148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H11 compound treatment 0.567 0.0848 2.67 0.56 0.0788 2.33 3.5361 0.9978 2141097 PK04_097149 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H12 compound treatment 0.489 0.00681 0.21 0.489 0.00777 0.23 0.3142 0.9994 2142913 PK04_097150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H13 compound treatment 0.505 0.0228 0.72 0.504 0.0228 0.67 0.9842 0.9995 2141401 PK04_097151 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H14 compound treatment 0.521 0.0388 1.22 0.515 0.0338 1.0 1.5704 0.9951 2143093 PK04_097152 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H15 compound treatment 0.487 0.00481 0.15 0.463 -0.0182 -0.54 -0.2751 -0.4902 2141777 PK04_097153 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H16 compound treatment 0.494 0.0118 0.37 0.502 0.0208 0.62 0.6977 0.9708 2143865 PK04_097154 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H17 compound treatment 0.484 0.00181 0.06 0.482 7.66E-4 0.02 0.0563 0.9185 2141142 PK04_097155 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H18 compound treatment 0.481 -0.00119 -0.04 0.493 0.0118 0.35 0.2201 0.6278 2143925 PK04_097156 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H19 mock treatment 0.469 -0.0132 -0.41 0.475 -0.00623 -0.18 -0.4238 -0.9337 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H20 mock treatment 0.484 0.00181 0.06 0.475 -0.00623 -0.18 -0.0903 -0.4672 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H21 compound treatment 0.478 -0.00419 -0.13 0.477 -0.00423 -0.13 -0.1818 -0.9997 2141168 PK04_097157 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H22 compound treatment 0.501 0.0188 0.59 0.478 -0.00323 -0.1 0.3505 0.5849 2143057 PK04_097158 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H23 compound treatment 0.485 0.00281 0.09 0.483 0.00177 0.05 0.0995 0.9686 2141804 PK04_097159 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 H24 compound treatment 0.509 0.0268 0.84 0.523 0.0418 1.24 1.4712 0.9825 2142649 PK04_097160 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I01 compound treatment 0.496 0.0138 0.43 0.497 0.0158 0.47 0.6374 0.9993 2141890 PK04_097161 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I02 compound treatment 0.486 0.00381 0.12 0.473 -0.00823 -0.24 -0.0878 -0.3228 2141465 PK04_097162 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I03 compound treatment 0.49 0.00781 0.25 0.484 0.00277 0.08 0.2316 0.8945 2141772 PK04_097163 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I04 compound treatment 0.479 -0.00319 -0.1 0.465 -0.0162 -0.48 -0.411 -0.8365 2141343 PK04_097164 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I05 mock treatment 0.483 8.12E-4 0.03 0.48 -0.00123 -0.04 -0.0078 -0.1748 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I06 mock treatment 0.477 -0.00519 -0.16 0.471 -0.0102 -0.3 -0.3298 -0.9577 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I07 compound treatment 0.494 0.0118 0.37 0.49 0.00877 0.26 0.4463 0.9847 2141794 PK04_097165 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I08 compound treatment 0.464 -0.0182 -0.57 0.472 -0.00923 -0.27 -0.5979 -0.943 2141922 PK04_097166 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I09 compound treatment 0.496 0.0138 0.43 0.491 0.00977 0.29 0.5117 0.9805 2141780 PK04_097167 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I10 compound treatment 0.487 0.00481 0.15 0.485 0.00377 0.11 0.1859 0.9888 2141799 PK04_097168 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I11 compound treatment 0.483 8.12E-4 0.03 0.483 0.00177 0.05 0.0551 0.9457 2141177 PK04_097169 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I12 compound treatment 0.527 0.0448 1.41 0.528 0.0468 1.39 1.9762 1.0 2141747 PK04_097170 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I13 compound treatment 0.484 0.00181 0.06 0.488 0.00677 0.2 0.1821 0.8735 2141423 PK04_097171 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I14 compound treatment 0.495 0.0128 0.4 0.492 0.0108 0.32 0.5104 0.9933 2141775 PK04_097172 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I15 compound treatment 0.491 0.00881 0.28 0.497 0.0158 0.47 0.5263 0.9689 2141538 PK04_097173 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I16 compound treatment 0.488 0.00581 0.18 0.485 0.00377 0.11 0.2081 0.972 2065871 PK04_097174 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I17 compound treatment 0.49 0.00781 0.25 0.498 0.0168 0.5 0.525 0.9473 2141729 PK04_097175 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I18 compound treatment 0.488 0.00581 0.18 0.474 -0.00723 -0.21 -0.0223 -0.0793 2141892 PK04_097176 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I19 compound treatment 0.509 0.0268 0.84 0.518 0.0368 1.09 1.3665 0.992 2141687 PK04_097177 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I20 compound treatment 0.467 -0.0152 -0.48 0.47 -0.0112 -0.33 -0.5731 -0.9844 2141680 PK04_097178 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I21 mock treatment 0.461 -0.0212 -0.67 0.467 -0.0142 -0.42 -0.7693 -0.9757 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I22 mock treatment 0.474 -0.00819 -0.26 0.473 -0.00823 -0.24 -0.3546 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I23 compound treatment 0.485 0.00281 0.09 0.526 0.0448 1.33 1.0005 0.7526 2141841 PK04_097179 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 I24 compound treatment 0.514 0.0318 1.0 0.497 0.0158 0.47 1.0376 0.9399 2141766 PK04_097180 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J01 compound treatment 0.5 0.0178 0.56 0.487 0.00577 0.17 0.5168 0.8826 2141705 PK04_097181 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J02 compound treatment 0.485 0.00281 0.09 0.48 -0.00123 -0.04 0.0367 0.3832 2143397 PK04_097182 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J03 compound treatment 0.488 0.00581 0.18 0.487 0.00577 0.17 0.25 0.9994 2141179 PK04_097183 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J04 compound treatment 0.481 -0.00119 -0.04 0.466 -0.0152 -0.45 -0.3456 -0.763 2144337 PK04_097184 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J05 mock treatment 0.48 -0.00219 -0.07 0.479 -0.00223 -0.07 -0.0955 -0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J06 mock treatment 0.494 0.0118 0.37 0.481 -2.34E-4 -0.01 0.2577 0.6938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J07 compound treatment 0.482 -1.88E-4 -0.01 0.469 -0.0122 -0.36 -0.2605 -0.7185 2141805 PK04_097185 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J08 compound treatment 0.484 0.00181 0.06 0.497 0.0158 0.47 0.3706 0.7875 2143365 PK04_097186 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J09 compound treatment 0.51 0.0278 0.87 0.497 0.0158 0.47 0.9487 0.9569 2141901 PK04_097187 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J10 compound treatment 0.471 -0.0112 -0.35 0.507 0.0258 0.76 0.2911 0.3463 2144881 PK04_097188 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J11 compound treatment 0.511 0.0288 0.91 0.506 0.0248 0.73 1.1595 0.9945 2141717 PK04_097189 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J12 compound treatment 0.521 0.0388 1.22 0.512 0.0308 0.91 1.5076 0.9897 2143405 PK04_097190 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J13 compound treatment 0.48 -0.00219 -0.07 0.49 0.00877 0.26 0.135 0.5025 2141188 PK04_097191 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J14 compound treatment 0.492 0.00981 0.31 0.49 0.00877 0.26 0.4018 0.9963 2142929 PK04_097192 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J15 compound treatment 0.473 -0.00919 -0.29 0.469 -0.0122 -0.36 -0.4606 -0.9937 2141365 PK04_097193 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J16 compound treatment 0.488 0.00581 0.18 0.49 0.00877 0.26 0.3129 0.9852 2144325 PK04_097194 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J17 compound treatment 0.502 0.0198 0.62 0.484 0.00277 0.08 0.4985 0.7933 2141221 PK04_097195 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J18 compound treatment 0.514 0.0318 1.0 0.489 0.00777 0.23 0.87 0.8476 2143377 PK04_097196 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J19 compound treatment 0.483 8.12E-4 0.03 0.487 0.00577 0.17 0.1389 0.8039 2141815 PK04_097197 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J20 compound treatment 0.5 0.0178 0.56 0.499 0.0178 0.53 0.7683 0.9995 2142585 PK04_097198 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J21 mock treatment 0.486 0.00381 0.12 0.468 -0.0132 -0.39 -0.1925 -0.4695 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J22 mock treatment 0.487 0.00481 0.15 0.48 -0.00123 -0.04 0.0811 0.5212 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J23 compound treatment 0.478 -0.00419 -0.13 0.487 0.00577 0.17 0.0277 0.1284 2141186 PK04_097199 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 J24 compound treatment 0.512 0.0298 0.94 0.5 0.0188 0.56 1.056 0.9689 2144237 PK04_097200 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K01 compound treatment 0.517 0.0348 1.09 0.519 0.0378 1.12 1.5653 0.9999 2141164 PK04_097201 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K02 compound treatment 0.486 0.00381 0.12 0.484 0.00277 0.08 0.1427 0.9828 2141443 PK04_097202 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K03 compound treatment 0.457 -0.0252 -0.79 0.466 -0.0152 -0.45 -0.8792 -0.9645 2141548 PK04_097203 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K04 compound treatment 0.464 -0.0182 -0.57 0.463 -0.0182 -0.54 -0.7864 -0.9996 2141351 PK04_097204 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K05 compound treatment 0.488 0.00581 0.18 0.497 0.0158 0.47 0.4596 0.9161 2141786 PK04_097205 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K06 compound treatment 0.45 -0.0322 -1.01 0.45 -0.0312 -0.93 -1.3701 -0.999 2141746 PK04_097206 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K07 mock treatment 0.495 0.0128 0.4 0.496 0.0148 0.44 0.5943 0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K08 mock treatment 0.486 0.00381 0.12 0.479 -0.00223 -0.07 0.038 0.2771 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K09 compound treatment 0.465 -0.0172 -0.54 0.459 -0.0222 -0.66 -0.848 -0.9952 2141350 PK04_097207 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K10 compound treatment 0.518 0.0358 1.13 0.522 0.0408 1.21 1.6504 0.9994 2141331 PK04_097208 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K11 compound treatment 0.482 -1.88E-4 -0.01 0.486 0.00477 0.14 0.0957 0.677 2141806 PK04_097209 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K12 compound treatment 0.509 0.0268 0.84 0.498 0.0168 0.5 0.9474 0.9682 2141720 PK04_097210 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K13 compound treatment 0.507 0.0248 0.78 0.637 0.156 4.62 3.8154 0.8151 2141904 PK04_097211 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccccc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K14 compound treatment 0.472 -0.0102 -0.32 0.478 -0.00323 -0.1 -0.2943 -0.8801 2141222 PK04_097212 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K15 mock treatment 0.476 -0.00619 -0.19 0.498 0.0168 0.5 0.2137 0.4006 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K16 mock treatment 0.497 0.0148 0.47 0.493 0.0118 0.35 0.5759 0.9898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K17 compound treatment 0.5 0.0178 0.56 0.497 0.0158 0.47 0.7264 0.9959 2141773 PK04_097213 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K18 compound treatment 0.48 -0.00219 -0.07 0.477 -0.00423 -0.13 -0.1374 -0.96 2141524 PK04_097214 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K19 compound treatment 0.446 -0.0362 -1.14 0.46 -0.0212 -0.63 -1.2495 -0.961 2141218 PK04_097215 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K20 compound treatment 0.48 -0.00219 -0.07 0.501 0.0198 0.59 0.3655 0.6198 2141861 PK04_097216 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K21 compound treatment 0.48 -0.00219 -0.07 0.492 0.0108 0.32 0.1769 0.5422 2141117 PK04_097217 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K22 compound treatment 0.476 -0.00619 -0.19 0.482 7.66E-4 0.02 -0.1215 -0.6204 2141354 PK04_097218 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K23 mock treatment 0.474 -0.00819 -0.26 0.489 0.00777 0.23 -0.0193 -0.056 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 K24 mock treatment 0.514 0.0318 1.0 0.487 0.00577 0.17 0.8281 0.8161 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L01 compound treatment 0.521 0.0388 1.22 0.515 0.0338 1.0 1.5704 0.9951 2141684 PK04_097219 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L02 compound treatment 0.51 0.0278 0.87 0.495 0.0138 0.41 0.9068 0.9397 2143489 PK04_097220 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L03 compound treatment 0.522 0.0398 1.25 0.517 0.0358 1.06 1.6346 0.9966 2141375 PK04_097221 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L04 compound treatment 0.468 -0.0142 -0.45 0.449 -0.0322 -0.96 -0.9908 -0.9399 2143313 PK04_097222 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L05 compound treatment 0.45 -0.0322 -1.01 0.44 -0.0412 -1.22 -1.5796 -0.9956 2141889 PK04_097223 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L06 compound treatment 0.485 0.00281 0.09 0.48 -0.00123 -0.04 0.0367 0.3832 2144793 PK04_097224 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L07 mock treatment 0.472 -0.0102 -0.32 0.471 -0.0102 -0.3 -0.4409 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L08 mock treatment 0.474 -0.00819 -0.26 0.479 -0.00223 -0.07 -0.2289 -0.8609 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L09 compound treatment 0.463 -0.0192 -0.6 0.468 -0.0132 -0.39 -0.7039 -0.9782 2141438 PK04_097225 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L10 compound treatment 0.481 -0.00119 -0.04 0.487 0.00577 0.17 0.0944 0.5398 2142993 PK04_097226 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L11 compound treatment 0.455 -0.0272 -0.85 0.444 -0.0372 -1.1 -1.3846 -0.992 2141185 PK04_097227 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L12 compound treatment 0.488 0.00581 0.18 0.48 -0.00123 -0.04 0.1034 0.5546 2144653 PK04_097228 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L13 compound treatment 0.506 0.0238 0.75 0.499 0.0178 0.53 0.9017 0.9851 2141893 PK04_097229 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L14 compound treatment 0.503 0.0208 0.65 0.494 0.0128 0.38 0.7302 0.9661 2143417 PK04_097230 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L15 mock treatment 0.498 0.0158 0.5 0.482 7.66E-4 0.02 0.3676 0.7386 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L16 mock treatment 0.487 0.00481 0.15 0.492 0.0108 0.32 0.3326 0.9419 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L17 compound treatment 0.486 0.00381 0.12 0.488 0.00677 0.2 0.2265 0.9698 2141152 PK04_097231 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L18 compound treatment 0.484 0.00181 0.06 0.488 0.00677 0.2 0.1821 0.8735 2143325 PK04_097232 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L19 compound treatment 0.488 0.00581 0.18 0.473 -0.00823 -0.24 -0.0433 -0.142 2141709 PK04_097233 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L20 compound treatment 0.484 0.00181 0.06 0.48 -0.00123 -0.04 0.0144 0.2132 2142773 PK04_097234 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L21 compound treatment 0.451 -0.0312 -0.98 0.458 -0.0232 -0.69 -1.1802 -0.985 2141174 PK04_097235 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L22 compound treatment 0.469 -0.0132 -0.41 0.482 7.66E-4 0.02 -0.2772 -0.6674 2142985 PK04_097236 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L23 mock treatment 0.463 -0.0192 -0.6 0.472 -0.00923 -0.27 -0.6201 -0.936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 L24 mock treatment 0.505 0.0228 0.72 0.479 -0.00223 -0.07 0.4604 0.6391 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M01 compound treatment 0.547 0.0648 2.04 0.522 0.0408 1.21 2.2952 0.9688 2141838 PK04_097237 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M02 compound treatment 0.484 0.00181 0.06 0.475 -0.00623 -0.18 -0.0903 -0.4672 2141189 PK04_097238 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M03 compound treatment 0.462 -0.0202 -0.63 0.453 -0.0282 -0.84 -1.0404 -0.9907 2141724 PK04_097239 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M04 compound treatment 0.496 0.0138 0.43 0.489 0.00777 0.23 0.4698 0.9559 2141153 PK04_097240 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M05 compound treatment 0.482 -1.88E-4 -0.01 0.472 -0.00923 -0.27 -0.1977 -0.7222 2141436 PK04_097241 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M06 compound treatment 0.513 0.0308 0.97 0.514 0.0328 0.97 1.3716 1.0 2141769 PK04_097242 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M07 compound treatment 0.528 0.0458 1.44 0.531 0.0498 1.47 2.0613 0.9999 2141771 PK04_097243 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(O)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M08 compound treatment 0.506 0.0238 0.75 0.508 0.0268 0.79 1.0903 0.9996 2141480 PK04_097244 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M09 mock treatment 0.494 0.0118 0.37 0.478 -0.00323 -0.1 0.1949 0.508 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M10 mock treatment 0.474 -0.00819 -0.26 0.472 -0.00923 -0.27 -0.3755 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M11 compound treatment 0.497 0.0148 0.47 0.487 0.00577 0.17 0.4501 0.9074 2141571 PK04_097245 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M12 compound treatment 0.485 0.00281 0.09 0.481 -2.34E-4 -0.01 0.0576 0.6496 2141879 PK04_097246 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M13 mock treatment 0.484 0.00181 0.06 0.487 0.00577 0.17 0.1611 0.8945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M14 mock treatment 0.486 0.00381 0.12 0.487 0.00577 0.17 0.2056 0.985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M15 compound treatment 0.545 0.0628 1.98 0.534 0.0528 1.56 2.5021 0.9933 2141832 PK04_097247 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M16 compound treatment 0.509 0.0268 0.84 0.497 0.0158 0.47 0.9265 0.9612 2141542 PK04_097248 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M17 compound treatment 0.507 0.0248 0.78 0.512 0.0308 0.91 1.1963 0.997 2141399 PK04_097249 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M18 compound treatment 0.502 0.0198 0.62 0.476 -0.00523 -0.16 0.3308 0.5153 2141903 PK04_097250 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M19 compound treatment 0.539 0.0568 1.79 0.525 0.0438 1.3 2.1802 0.9876 2141716 PK04_097251 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M20 compound treatment 0.502 0.0198 0.62 0.492 0.0108 0.32 0.6661 0.9517 2141203 PK04_097252 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M21 compound treatment 0.489 0.00681 0.21 0.469 -0.0122 -0.36 -0.1049 -0.2491 2141110 PK04_097253 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M22 compound treatment 0.505 0.0228 0.72 0.501 0.0198 0.59 0.9214 0.9949 2141731 PK04_097254 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M23 compound treatment 0.524 0.0418 1.31 0.498 0.0168 0.5 1.2809 0.9114 2141095 PK04_097255 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 M24 compound treatment 0.487 0.00481 0.15 0.497 0.0158 0.47 0.4373 0.8906 2141894 PK04_097256 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N01 compound treatment 0.521 0.0388 1.22 0.504 0.0228 0.67 1.34 0.9609 2141340 PK04_097257 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N02 compound treatment 0.499 0.0168 0.53 0.483 0.00177 0.05 0.4108 0.7733 2142089 PK04_097258 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N03 compound treatment 0.488 0.00581 0.18 0.47 -0.0112 -0.33 -0.1062 -0.2795 2141511 PK04_097259 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCc%10cc(OC)c(OC)cc%10C9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N04 compound treatment 0.482 -1.88E-4 -0.01 0.462 -0.0192 -0.57 -0.4072 -0.7144 2144305 PK04_097260 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N05 compound treatment 0.497 0.0148 0.47 0.49 0.00877 0.26 0.513 0.962 2141839 PK04_097261 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N06 compound treatment 0.493 0.0108 0.34 0.502 0.0208 0.62 0.6755 0.9609 2142057 PK04_097262 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N07 compound treatment 0.481 -0.00119 -0.04 0.467 -0.0142 -0.42 -0.3247 -0.7667 2141431 PK04_097263 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N08 compound treatment 0.517 0.0348 1.09 0.505 0.0238 0.7 1.272 0.9772 2144369 PK04_097264 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N09 mock treatment 0.472 -0.0102 -0.32 0.461 -0.0202 -0.6 -0.6505 -0.9569 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N10 mock treatment 0.484 0.00181 0.06 0.481 -2.34E-4 -0.01 0.0354 0.6164 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N11 compound treatment 0.486 0.00381 0.12 0.476 -0.00523 -0.16 -0.0249 -0.1271 2141527 PK04_097265 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N12 compound treatment 0.506 0.0238 0.75 0.504 0.0228 0.67 1.0064 0.9986 2144009 PK04_097266 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N13 mock treatment 0.491 0.00881 0.28 0.481 -2.34E-4 -0.01 0.191 0.6892 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N14 mock treatment 0.476 -0.00619 -0.19 0.477 -0.00423 -0.13 -0.2263 -0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N15 compound treatment 0.497 0.0148 0.47 0.474 -0.00723 -0.21 0.1778 0.3467 2141907 PK04_097267 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N16 compound treatment 0.489 0.00681 0.21 0.495 0.0138 0.41 0.4399 0.9548 2143157 PK04_097268 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N17 compound treatment 0.475 -0.00719 -0.23 0.467 -0.0142 -0.42 -0.4581 -0.9572 2141544 PK04_097269 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N18 compound treatment 0.482 -1.88E-4 -0.01 0.487 0.00577 0.17 0.1166 0.6823 2144297 PK04_097270 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N19 compound treatment 0.487 0.00481 0.15 0.481 -2.34E-4 -0.01 0.1021 0.6739 2141483 PK04_097271 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N20 compound treatment 0.481 -0.00119 -0.04 0.482 7.66E-4 0.02 -0.0104 -0.2371 2142217 PK04_097272 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N21 compound treatment 0.476 -0.00619 -0.19 0.465 -0.0162 -0.48 -0.4777 -0.9206 2141887 PK04_097273 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccccc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N22 compound treatment 0.475 -0.00719 -0.23 0.487 0.00577 0.17 -0.039 -0.1377 2143065 PK04_097274 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N23 compound treatment 0.495 0.0128 0.4 0.473 -0.00823 -0.24 0.1123 0.2385 2141817 PK04_097275 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 N24 compound treatment 0.494 0.0118 0.37 0.518 0.0368 1.09 1.033 0.8975 2144333 PK04_097276 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O01 compound treatment 0.519 0.0368 1.16 0.517 0.0358 1.06 1.5679 0.999 2141166 PK04_097277 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O02 compound treatment 0.465 -0.0172 -0.54 0.462 -0.0192 -0.57 -0.7852 -0.9996 2141900 PK04_097278 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O03 compound treatment 0.478 -0.00419 -0.13 0.48 -0.00123 -0.04 -0.119 -0.8706 2141790 PK04_097279 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O04 compound treatment 0.482 -1.88E-4 -0.01 0.492 0.0108 0.32 0.2214 0.6939 2141883 PK04_097280 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCN(CC4)c5ncccn5)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O05 compound treatment 0.498 0.0158 0.5 0.487 0.00577 0.17 0.4724 0.8985 2141427 PK04_097281 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O06 compound treatment 0.497 0.0148 0.47 0.484 0.00277 0.08 0.3873 0.8189 2141093 PK04_097282 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@H]([C@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O07 compound treatment 0.487 0.00481 0.15 0.469 -0.0122 -0.36 -0.1493 -0.3802 2141812 PK04_097283 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O08 compound treatment 0.498 0.0158 0.5 0.487 0.00577 0.17 0.4724 0.8985 2141430 PK04_097284 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O09 compound treatment 0.518 0.0358 1.13 0.502 0.0208 0.62 1.2313 0.9596 2141454 PK04_097285 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O10 compound treatment 0.506 0.0238 0.75 0.49 0.00877 0.26 0.7131 0.8998 2141529 PK04_097286 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O11 mock treatment 0.501 0.0188 0.59 0.492 0.0108 0.32 0.6438 0.958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O12 mock treatment 0.485 0.00281 0.09 0.477 -0.00423 -0.13 -0.0262 -0.1706 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O13 compound treatment 0.52 0.0378 1.19 0.512 0.0308 0.91 1.4853 0.9914 2141368 PK04_097287 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O14 compound treatment 0.5 0.0178 0.56 0.507 0.0258 0.76 0.9359 0.9884 2141362 PK04_097288 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O15 compound treatment 0.52 0.0378 1.19 0.502 0.0208 0.62 1.2758 0.953 2141460 PK04_097289 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O16 compound treatment 0.519 0.0368 1.16 0.513 0.0318 0.94 1.4841 0.9947 2141860 PK04_097290 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccccc76)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O17 compound treatment 0.513 0.0308 0.97 0.493 0.0118 0.35 0.9316 0.9048 2141175 PK04_097291 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O18 compound treatment 0.504 0.0218 0.69 0.505 0.0238 0.7 0.9829 0.9999 2141486 PK04_097292 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O19 compound treatment 0.524 0.0418 1.31 0.525 0.0438 1.3 1.8467 1.0 2141156 PK04_097293 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(OCCO)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O20 compound treatment 0.498 0.0158 0.5 0.498 0.0168 0.5 0.7029 1.0 2141685 PK04_097294 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O21 compound treatment 0.505 0.0228 0.72 0.517 0.0358 1.06 1.2566 0.9819 2141094 PK04_097295 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O22 compound treatment 0.505 0.0228 0.72 0.509 0.0278 0.82 1.089 0.9977 2141379 PK04_097296 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@@H]([C@@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O23 compound treatment 0.556 0.0738 2.32 0.554 0.0728 2.16 3.1658 0.9993 2141397 PK04_097297 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccccc3OCCO)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 O24 compound treatment 0.508 0.0258 0.81 0.516 0.0348 1.03 1.3023 0.993 2065842 PK04_097298 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P01 compound treatment 0.539 0.0568 1.79 0.539 0.0578 1.71 2.4735 0.9998 2141898 PK04_097299 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P02 compound treatment 0.539 0.0568 1.79 0.521 0.0398 1.18 2.0964 0.9796 2143305 PK04_097300 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P03 compound treatment 0.539 0.0568 1.79 0.516 0.0348 1.03 1.9916 0.9658 2141555 PK04_097301 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)[C@H]([C@H](OC4=O)c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P04 compound treatment 0.583 0.101 3.17 0.594 0.113 3.34 4.6042 0.9997 2144945 PK04_097302 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P05 compound treatment 0.557 0.0748 2.35 0.56 0.0788 2.33 3.3137 1.0 2141923 PK04_097303 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P06 compound treatment 0.478 -0.00419 -0.13 0.5 0.0188 0.56 0.3001 0.5251 2144433 PK04_097304 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P07 compound treatment 0.492 0.00981 0.31 0.477 -0.00423 -0.13 0.1294 0.3886 2141482 PK04_097305 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P08 compound treatment 0.524 0.0418 1.31 0.532 0.0508 1.5 1.9933 0.9977 2143929 PK04_097306 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P09 compound treatment 0.513 0.0308 0.97 0.496 0.0148 0.44 0.9945 0.9355 2141698 PK04_097307 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P10 compound treatment 0.518 0.0358 1.13 0.512 0.0308 0.91 1.4409 0.9945 2142653 PK04_097308 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P11 mock treatment 0.513 0.0308 0.97 0.49 0.00877 0.26 0.8687 0.8661 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P12 mock treatment 0.514 0.0318 1.0 0.523 0.0418 1.24 1.5824 0.9944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P13 compound treatment 0.472 -0.0102 -0.32 0.459 -0.0222 -0.66 -0.6924 -0.9451 2141449 PK04_097309 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P14 compound treatment 0.527 0.0448 1.41 0.521 0.0398 1.18 1.8296 0.996 2144933 PK04_097310 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P15 compound treatment 0.518 0.0358 1.13 0.486 0.00477 0.14 0.8961 0.7896 2141416 PK04_097311 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccc(O)cc6)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P16 compound treatment 0.533 0.0508 1.6 0.536 0.0548 1.62 2.2772 1.0 2144445 PK04_097312 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P17 compound treatment 0.502 0.0198 0.62 0.486 0.00477 0.14 0.5404 0.8459 2141453 PK04_097313 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P18 compound treatment 0.529 0.0468 1.47 0.504 0.0228 0.67 1.5178 0.9374 2142745 PK04_097314 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P19 compound treatment 0.54 0.0578 1.82 0.497 0.0158 0.47 1.6157 0.8609 2141541 PK04_097315 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P20 compound treatment 0.501 0.0188 0.59 0.497 0.0158 0.47 0.7486 0.9932 2142193 PK04_097316 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P21 compound treatment 0.524 0.0418 1.31 0.497 0.0158 0.47 1.26 0.903 2141134 PK04_097317 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P22 compound treatment 0.536 0.0538 1.69 0.533 0.0518 1.53 2.2811 0.9988 2142729 PK04_097318 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P23 compound treatment 0.521 0.0388 1.22 0.507 0.0258 0.76 1.4028 0.9745 2141121 PK04_097319 OC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2097 P24 compound treatment 0.523 0.0408 1.28 0.537 0.0558 1.65 2.0759 0.9922 2144273 PK04_097320 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A01 compound treatment 0.51 0.0343 1.08 0.486 0.0117 0.35 1.0072 0.889 2141696 PK04_098001 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A02 compound treatment 0.502 0.0263 0.83 0.497 0.0227 0.67 1.0598 0.9946 2144133 PK04_098002 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A03 compound treatment 0.493 0.0173 0.54 0.505 0.0307 0.91 1.0274 0.97 2141089 PK04_098003 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A04 compound treatment 0.467 -0.00868 -0.27 0.461 -0.0133 -0.4 -0.4726 -0.9836 2142093 PK04_098004 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A05 compound treatment 0.525 0.0493 1.55 0.527 0.0527 1.56 2.1998 1.0 2141744 PK04_098005 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A06 compound treatment 0.485 0.00932 0.29 0.498 0.0237 0.7 0.7028 0.9251 2143237 PK04_098006 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A07 compound treatment 0.47 -0.00568 -0.18 0.492 0.0177 0.52 0.2436 0.4406 2141337 PK04_098007 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A08 compound treatment 0.501 0.0253 0.8 0.508 0.0337 1.0 1.2681 0.9938 2144129 PK04_098008 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A09 compound treatment 0.506 0.0303 0.95 0.507 0.0327 0.97 1.3583 1.0 2141791 PK04_098009 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A10 compound treatment 0.472 -0.00368 -0.12 0.482 0.00766 0.23 0.0785 0.3084 2144193 PK04_098010 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A11 compound treatment 0.553 0.0773 2.43 0.559 0.0847 2.51 3.4928 0.9999 2141133 PK04_098011 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A12 compound treatment 0.451 -0.0247 -0.78 0.455 -0.0193 -0.57 -0.9541 -0.9889 2143993 PK04_098012 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A13 mock treatment 0.494 0.0183 0.58 0.492 0.0177 0.52 0.7772 0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A14 mock treatment 0.482 0.00632 0.2 0.466 -0.00834 -0.25 -0.0344 -0.1083 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A15 compound treatment 0.474 -0.00168 -0.05 0.48 0.00566 0.17 0.0811 0.4615 2141695 PK04_098013 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A16 compound treatment 0.486 0.0103 0.32 0.495 0.0207 0.61 0.6622 0.9559 2144913 PK04_098014 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A17 compound treatment 0.462 -0.0137 -0.43 0.452 -0.0223 -0.66 -0.7724 -0.9782 2141801 PK04_098015 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A18 compound treatment 0.47 -0.00568 -0.18 0.481 0.00666 0.2 0.0131 0.0493 2142117 PK04_098016 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A19 compound treatment 0.497 0.0213 0.67 0.5 0.0257 0.76 1.0115 0.998 2141835 PK04_098017 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A20 compound treatment 0.492 0.0163 0.51 0.49 0.0157 0.46 0.6908 0.9987 2144205 PK04_098018 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A21 compound treatment 0.418 -0.0577 -1.81 0.489 0.0147 0.43 -0.9754 -0.523 2141920 PK04_098019 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccccc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A22 compound treatment 0.47 -0.00568 -0.18 0.435 -0.0393 -1.17 -0.9507 -0.8061 2141945 PK04_098020 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A23 compound treatment 0.485 0.00932 0.29 0.497 0.0227 0.67 0.6819 0.9309 2141111 PK04_098021 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)O)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 A24 compound treatment 0.492 0.0163 0.51 0.479 0.00466 0.14 0.4604 0.8665 2143385 PK04_098022 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B01 compound treatment 0.521 0.0453 1.42 0.533 0.0587 1.74 2.2366 0.9951 2142845 PK04_098023 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B02 compound treatment 0.487 0.0113 0.36 0.486 0.0117 0.35 0.4959 0.9999 2143009 PK04_098024 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B03 compound treatment 0.471 -0.00468 -0.15 0.481 0.00666 0.2 0.0354 0.1436 2144209 PK04_098025 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B04 compound treatment 0.475 -6.83E-4 -0.02 0.47 -0.00434 -0.13 -0.1062 -0.8138 2142037 PK04_098026 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B05 compound treatment 0.473 -0.00268 -0.08 0.455 -0.0193 -0.57 -0.4649 -0.8025 2144313 PK04_098027 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B06 compound treatment 0.485 0.00932 0.29 0.49 0.0157 0.46 0.5352 0.9754 2143245 PK04_098028 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B07 compound treatment 0.453 -0.0227 -0.71 0.463 -0.0113 -0.34 -0.742 -0.9411 2144661 PK04_098029 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B08 compound treatment 0.496 0.0203 0.64 0.502 0.0277 0.82 1.0312 0.9924 2143409 PK04_098030 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B09 compound treatment 0.486 0.0103 0.32 0.494 0.0197 0.58 0.6412 0.9618 2144745 PK04_098031 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B10 compound treatment 0.485 0.00932 0.29 0.482 0.00766 0.23 0.3676 0.992 2143049 PK04_098032 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B11 compound treatment 0.472 -0.00368 -0.12 0.492 0.0177 0.52 0.2881 0.5376 2143257 PK04_098033 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B12 compound treatment 0.499 0.0233 0.73 0.497 0.0227 0.67 0.9931 0.999 2141502 PK04_098034 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B13 mock treatment 0.464 -0.0117 -0.37 0.474 -3.44E-4 -0.01 -0.267 -0.7264 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B14 mock treatment 0.468 -0.00768 -0.24 0.474 -3.44E-4 -0.01 -0.178 -0.7363 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B15 compound treatment 0.44 -0.0357 -1.12 0.446 -0.0283 -0.84 -1.3872 -0.9898 2142113 PK04_098035 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B16 compound treatment 0.46 -0.0157 -0.49 0.488 0.0137 0.4 -0.0625 -0.0981 2141859 PK04_098036 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccccc54)[C@@H]([C@@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B17 compound treatment 0.44 -0.0357 -1.12 0.445 -0.0293 -0.87 -1.4082 -0.9921 2144033 PK04_098037 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B18 compound treatment 0.472 -0.00368 -0.12 0.48 0.00566 0.17 0.0366 0.1798 2141540 PK04_098038 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B19 compound treatment 0.482 0.00632 0.2 0.482 0.00766 0.23 0.3009 0.9978 2144437 PK04_098039 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B20 compound treatment 0.459 -0.0167 -0.52 0.412 -0.0623 -1.85 -1.6772 -0.8734 2144725 PK04_098040 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B21 compound treatment 0.489 0.0133 0.42 0.49 0.0157 0.46 0.6241 0.9987 2143413 PK04_098041 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B22 compound treatment 0.47 -0.00568 -0.18 0.481 0.00666 0.2 0.0131 0.0493 2141509 PK04_098042 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccc(OCCO)cc6)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCN(CC9)c%10ncccn%10)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B23 compound treatment 0.478 0.00232 0.07 0.487 0.0127 0.38 0.3167 0.829 2142009 PK04_098043 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 B24 compound treatment 0.509 0.0333 1.05 0.429 -0.0453 -1.34 -0.2093 -0.1228 2141342 PK04_098044 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C01 compound treatment 0.494 0.0183 0.58 0.492 0.0177 0.52 0.7772 0.9988 2141145 PK04_098045 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C02 compound treatment 0.463 -0.0127 -0.4 0.47 -0.00434 -0.13 -0.373 -0.8901 2143097 PK04_098046 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C03 compound treatment 0.466 -0.00968 -0.3 0.469 -0.00534 -0.16 -0.3272 -0.9536 2141834 PK04_098047 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C04 compound treatment 0.482 0.00632 0.2 0.483 0.00866 0.26 0.3218 0.992 2142605 PK04_098048 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C05 compound treatment 0.47 -0.00568 -0.18 0.501 0.0267 0.79 0.4322 0.5337 2141398 PK04_098049 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C06 compound treatment 0.486 0.0103 0.32 0.469 -0.00534 -0.16 0.1174 0.3253 2143013 PK04_098050 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C07 compound treatment 0.476 3.17E-4 0.01 0.475 6.56E-4 0.02 0.0208 0.952 2141793 PK04_098051 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CCCO)cc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C08 compound treatment 0.474 -0.00168 -0.05 0.463 -0.0113 -0.34 -0.2751 -0.8084 2143277 PK04_098052 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C09 compound treatment 0.474 -0.00168 -0.05 0.474 -3.44E-4 -0.01 -0.0446 -0.828 2141681 PK04_098053 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NC[C@H](O)c9ccccc9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C10 compound treatment 0.496 0.0203 0.64 0.493 0.0187 0.55 0.8426 0.9974 2144125 PK04_098054 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C11 mock treatment 0.465 -0.0107 -0.34 0.469 -0.00534 -0.16 -0.3495 -0.9411 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C12 mock treatment 0.465 -0.0107 -0.34 0.474 -3.44E-4 -0.01 -0.2447 -0.7282 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C13 compound treatment 0.476 3.17E-4 0.01 0.479 0.00466 0.14 0.1046 0.7563 2141376 PK04_098055 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C14 compound treatment 0.461 -0.0147 -0.46 0.479 0.00466 0.14 -0.2289 -0.475 2143897 PK04_098056 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C15 mock treatment 0.454 -0.0217 -0.68 0.455 -0.0193 -0.57 -0.8874 -0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C16 mock treatment 0.467 -0.00868 -0.27 0.469 -0.00534 -0.16 -0.305 -0.9664 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C17 compound treatment 0.471 -0.00468 -0.15 0.472 -0.00234 -0.07 -0.1532 -0.9412 2141461 PK04_098057 O[C@@H](CNC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(O)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C18 compound treatment 0.482 0.00632 0.2 0.476 0.00166 0.05 0.1752 0.8561 2143145 PK04_098058 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C19 compound treatment 0.46 -0.0157 -0.49 0.465 -0.00934 -0.28 -0.5445 -0.9628 2141551 PK04_098059 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C20 compound treatment 0.463 -0.0127 -0.4 0.505 0.0307 0.91 0.3603 0.3632 2144941 PK04_098060 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C21 compound treatment 0.516 0.0403 1.27 0.459 -0.0153 -0.45 0.5749 0.4269 2141535 PK04_098061 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C22 compound treatment 0.463 -0.0127 -0.4 0.47 -0.00434 -0.13 -0.373 -0.8901 2142185 PK04_098062 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C23 compound treatment 0.461 -0.0147 -0.46 0.461 -0.0133 -0.4 -0.606 -0.997 2141425 PK04_098063 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 C24 compound treatment 0.463 -0.0127 -0.4 0.541 0.0667 1.98 1.1146 0.5532 2144353 PK04_098064 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D01 compound treatment 0.489 0.0133 0.42 0.489 0.0147 0.43 0.6032 0.9998 2143317 PK04_098065 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D02 compound treatment 0.481 0.00532 0.17 0.475 6.56E-4 0.02 0.132 0.7841 2144805 PK04_098066 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D03 compound treatment 0.462 -0.0137 -0.43 0.448 -0.0263 -0.78 -0.8562 -0.9606 2142937 PK04_098067 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D04 compound treatment 0.463 -0.0127 -0.4 0.45 -0.0243 -0.72 -0.792 -0.9609 2141997 PK04_098068 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D05 compound treatment 0.461 -0.0147 -0.46 0.456 -0.0183 -0.54 -0.7108 -0.9967 2144781 PK04_098069 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D06 compound treatment 0.472 -0.00368 -0.12 0.459 -0.0153 -0.45 -0.4034 -0.8597 2144025 PK04_098070 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D07 compound treatment 0.493 0.0173 0.54 0.484 0.00966 0.29 0.5874 0.9549 2144817 PK04_098071 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D08 compound treatment 0.498 0.0223 0.7 0.484 0.00966 0.29 0.6985 0.9217 2144197 PK04_098072 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D09 compound treatment 0.459 -0.0167 -0.52 0.467 -0.00734 -0.22 -0.5248 -0.9241 2144761 PK04_098073 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D10 compound treatment 0.483 0.00732 0.23 0.476 0.00166 0.05 0.1974 0.8391 2142125 PK04_098074 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D11 mock treatment 0.465 -0.0107 -0.34 0.468 -0.00634 -0.19 -0.3704 -0.9624 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D12 mock treatment 0.468 -0.00768 -0.24 0.469 -0.00534 -0.16 -0.2828 -0.979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D13 compound treatment 0.47 -0.00568 -0.18 0.469 -0.00534 -0.16 -0.2383 -0.9982 2143225 PK04_098075 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D14 compound treatment 0.482 0.00632 0.2 0.454 -0.0203 -0.6 -0.2858 -0.4503 2144233 PK04_098076 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D15 mock treatment 0.472 -0.00368 -0.12 0.473 -0.00134 -0.04 -0.11 -0.8986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D16 mock treatment 0.474 -0.00168 -0.05 0.467 -0.00734 -0.22 -0.1913 -0.8541 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D17 compound treatment 0.473 -0.00268 -0.08 0.467 -0.00734 -0.22 -0.2135 -0.9149 2143045 PK04_098077 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D18 compound treatment 0.465 -0.0107 -0.34 0.463 -0.0113 -0.34 -0.4752 -1.0 2142013 PK04_098078 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D19 compound treatment 0.464 -0.0117 -0.37 0.452 -0.0223 -0.66 -0.7279 -0.9614 2142213 PK04_098079 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D20 compound treatment 0.475 -6.83E-4 -0.02 0.472 -0.00234 -0.07 -0.0643 -0.8844 2141447 PK04_098080 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D21 compound treatment 0.45 -0.0257 -0.81 0.453 -0.0213 -0.63 -1.0182 -0.9927 2143393 PK04_098081 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D22 compound treatment 0.472 -0.00368 -0.12 0.468 -0.00634 -0.19 -0.2148 -0.9729 2065844 PK04_098082 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D23 compound treatment 0.475 -6.83E-4 -0.02 0.477 0.00266 0.08 0.0405 0.4962 2144185 PK04_098083 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 D24 compound treatment 0.499 0.0233 0.73 0.484 0.00966 0.29 0.7208 0.9158 2141197 PK04_098084 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E01 mock treatment 0.469 -0.00668 -0.21 0.486 0.0117 0.35 0.0957 0.2366 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E02 mock treatment 0.473 -0.00268 -0.08 0.466 -0.00834 -0.25 -0.2345 -0.8975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E03 compound treatment 0.449 -0.0267 -0.84 0.446 -0.0283 -0.84 -1.1871 -1.0 2141526 PK04_098085 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccc(C#CCCO)cc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E04 compound treatment 0.458 -0.0177 -0.56 0.466 -0.00834 -0.25 -0.568 -0.9334 2142637 PK04_098086 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E05 compound treatment 0.473 -0.00268 -0.08 0.474 -3.44E-4 -0.01 -0.0668 -0.7868 2141181 PK04_098087 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(OCCO)cc5)[C@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E06 compound treatment 0.465 -0.0107 -0.34 0.47 -0.00434 -0.13 -0.3285 -0.9133 2142777 PK04_098088 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E07 compound treatment 0.474 -0.00168 -0.05 0.468 -0.00634 -0.19 -0.1703 -0.8722 2141090 PK04_098089 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E08 compound treatment 0.467 -0.00868 -0.27 0.47 -0.00434 -0.13 -0.2841 -0.9411 2144801 PK04_098090 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E09 mock treatment 0.475 -6.83E-4 -0.02 0.467 -0.00734 -0.22 -0.169 -0.7731 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E10 mock treatment 0.476 3.17E-4 0.01 0.474 -3.44E-4 -0.01 -1.0E-4 -0.0101 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E11 compound treatment 0.47 -0.00568 -0.18 0.458 -0.0163 -0.48 -0.4688 -0.9082 2141328 PK04_098091 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)N9CCCCCCC9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E12 compound treatment 0.49 0.0143 0.45 0.492 0.0177 0.52 0.6883 0.9972 2144117 PK04_098092 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E13 compound treatment 0.488 0.0123 0.39 0.516 0.0417 1.23 1.1467 0.8864 2141750 PK04_098093 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8=CCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E14 compound treatment 0.481 0.00532 0.17 0.468 -0.00634 -0.19 -0.0147 -0.0584 2142133 PK04_098094 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E15 compound treatment 0.481 0.00532 0.17 0.481 0.00666 0.2 0.2577 0.9966 2141837 PK04_098095 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E16 compound treatment 0.468 -0.00768 -0.24 0.479 0.00466 0.14 -0.0733 -0.2633 2143333 PK04_098096 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E17 mock treatment 0.466 -0.00968 -0.3 0.468 -0.00634 -0.19 -0.3482 -0.9731 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E18 mock treatment 0.467 -0.00868 -0.27 0.459 -0.0153 -0.45 -0.5145 -0.9702 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E19 compound treatment 0.5 0.0243 0.76 0.491 0.0167 0.49 0.8897 0.9776 2141392 PK04_098097 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E20 compound treatment 0.467 -0.00868 -0.27 0.457 -0.0173 -0.51 -0.5564 -0.9562 2144457 PK04_098098 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E21 compound treatment 0.464 -0.0117 -0.37 0.457 -0.0173 -0.51 -0.6231 -0.9864 2141783 PK04_098099 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E22 compound treatment 0.446 -0.0297 -0.93 0.446 -0.0283 -0.84 -1.2538 -0.9986 2142073 PK04_098100 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E23 compound treatment 0.489 0.0133 0.42 0.491 0.0167 0.49 0.6451 0.9967 2141929 PK04_098101 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccccc5OCCO)[C@@]36C(=O)Nc7ccccc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 E24 compound treatment 0.459 -0.0167 -0.52 0.452 -0.0223 -0.66 -0.8391 -0.9934 2141993 PK04_098102 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F01 mock treatment 0.493 0.0173 0.54 0.483 0.00866 0.26 0.5664 0.941 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F02 mock treatment 0.488 0.0123 0.39 0.508 0.0337 1.0 0.9791 0.9151 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F03 compound treatment 0.485 0.00932 0.29 0.485 0.0107 0.32 0.4304 0.9993 2142917 PK04_098103 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F04 compound treatment 0.468 -0.00768 -0.24 0.466 -0.00834 -0.25 -0.3456 -0.9999 2142953 PK04_098104 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F05 compound treatment 0.495 0.0193 0.61 0.493 0.0187 0.55 0.8204 0.9989 2144897 PK04_098105 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F06 compound treatment 0.468 -0.00768 -0.24 0.471 -0.00334 -0.1 -0.2409 -0.9225 2144329 PK04_098106 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F07 compound treatment 0.461 -0.0147 -0.46 0.461 -0.0133 -0.4 -0.606 -0.997 2144721 PK04_098107 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F08 compound treatment 0.493 0.0173 0.54 0.496 0.0217 0.64 0.8388 0.9967 2143969 PK04_098108 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F09 mock treatment 0.482 0.00632 0.2 0.46 -0.0143 -0.43 -0.1601 -0.3412 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F10 mock treatment 0.475 -6.83E-4 -0.02 0.472 -0.00234 -0.07 -0.0643 -0.8844 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F11 compound treatment 0.466 -0.00968 -0.3 0.47 -0.00434 -0.13 -0.3063 -0.9266 2141973 PK04_098109 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F12 compound treatment 0.481 0.00532 0.17 0.47 -0.00434 -0.13 0.0272 0.129 2141515 PK04_098110 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(OCCO)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F13 compound treatment 0.486 0.0103 0.32 0.481 0.00666 0.2 0.3689 0.9715 2144053 PK04_098111 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F14 compound treatment 0.497 0.0213 0.67 0.479 0.00466 0.14 0.5715 0.8351 2143249 PK04_098112 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F15 compound treatment 0.483 0.00732 0.23 0.484 0.00966 0.29 0.365 0.9942 2144873 PK04_098113 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F16 compound treatment 0.48 0.00432 0.14 0.482 0.00766 0.23 0.2564 0.9699 2141199 PK04_098114 NC(=O)[C@H]1[C@H]2N([C@@H](c3ccc(OCCO)cc3)[C@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@@H]([C@@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F17 mock treatment 0.473 -0.00268 -0.08 0.47 -0.00434 -0.13 -0.1507 -0.979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F18 mock treatment 0.487 0.0113 0.36 0.478 0.00366 0.11 0.3282 0.8824 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F19 compound treatment 0.479 0.00332 0.1 0.48 0.00566 0.17 0.1923 0.974 2142825 PK04_098115 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F20 compound treatment 0.482 0.00632 0.2 0.476 0.00166 0.05 0.1752 0.8561 2144217 PK04_098116 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F21 compound treatment 0.485 0.00932 0.29 0.473 -0.00134 -0.04 0.179 0.6054 2144057 PK04_098117 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F22 compound treatment 0.478 0.00232 0.07 0.464 -0.0103 -0.31 -0.1652 -0.5244 2141689 PK04_098118 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F23 compound treatment 0.465 -0.0107 -0.34 0.476 0.00166 0.05 -0.2028 -0.5974 2144037 PK04_098119 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 F24 compound treatment 0.508 0.0323 1.02 0.479 0.00466 0.14 0.8161 0.7958 2141464 PK04_098120 Oc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)Nc4nc5ccccc5s4)[C@@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@H]([C@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G01 compound treatment 0.532 0.0563 1.77 0.543 0.0687 2.03 2.6907 0.9976 2141573 PK04_098121 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(OCCO)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G02 compound treatment 0.443 -0.0327 -1.03 0.425 -0.0493 -1.46 -1.7605 -0.9851 2144113 PK04_098122 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G03 mock treatment 0.47 -0.00568 -0.18 0.472 -0.00234 -0.07 -0.1755 -0.9152 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G04 mock treatment 0.479 0.00332 0.1 0.478 0.00366 0.11 0.1504 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G05 compound treatment 0.483 0.00732 0.23 0.475 6.56E-4 0.02 0.1764 0.7641 2141531 PK04_098123 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G06 compound treatment 0.492 0.0163 0.51 0.495 0.0207 0.61 0.7956 0.9962 2143985 PK04_098124 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G07 compound treatment 0.506 0.0303 0.95 0.497 0.0227 0.67 1.1488 0.9853 2065843 PK04_098125 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G08 compound treatment 0.461 -0.0147 -0.46 0.476 0.00166 0.05 -0.2917 -0.6284 2144713 PK04_098126 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G09 compound treatment 0.479 0.00332 0.1 0.457 -0.0173 -0.51 -0.2896 -0.5523 2141779 PK04_098127 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G10 compound treatment 0.471 -0.00468 -0.15 0.453 -0.0213 -0.63 -0.5513 -0.849 2142633 PK04_098128 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G11 compound treatment 0.497 0.0213 0.67 0.5 0.0257 0.76 1.0115 0.998 2141711 PK04_098129 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G12 compound treatment 0.485 0.00932 0.29 0.499 0.0247 0.73 0.7238 0.9195 2142689 PK04_098130 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G13 compound treatment 0.501 0.0253 0.8 0.507 0.0327 0.97 1.2471 0.9953 2141802 PK04_098131 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G14 compound treatment 0.51 0.0343 1.08 0.499 0.0247 0.73 1.2796 0.982 2142905 PK04_098132 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G15 compound treatment 0.491 0.0153 0.48 0.488 0.0137 0.4 0.6267 0.9962 2141192 PK04_098133 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCc9cc(OC)c(OC)cc9C8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G16 compound treatment 0.48 0.00432 0.14 0.475 6.56E-4 0.02 0.1097 0.8002 2142129 PK04_098134 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G17 compound treatment 0.502 0.0263 0.83 0.497 0.0227 0.67 1.0598 0.9946 2141728 PK04_098135 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CC8(O)CCCCCC8)cc76)C(=O)O[C@@H]([C@@H]3c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G18 compound treatment 0.456 -0.0197 -0.62 0.451 -0.0233 -0.69 -0.9267 -0.9985 2144641 PK04_098136 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G19 mock treatment 0.463 -0.0127 -0.4 0.467 -0.00734 -0.22 -0.4359 -0.9594 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G20 mock treatment 0.461 -0.0147 -0.46 0.455 -0.0193 -0.57 -0.7318 -0.9942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G21 compound treatment 0.47 -0.00568 -0.18 0.475 6.56E-4 0.02 -0.1126 -0.6265 2141885 PK04_098137 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G22 compound treatment 0.475 -6.83E-4 -0.02 0.465 -0.00934 -0.28 -0.211 -0.7596 2144357 PK04_098138 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G23 compound treatment 0.454 -0.0217 -0.68 0.45 -0.0243 -0.72 -0.9922 -0.9996 2141361 PK04_098139 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCCCCCC8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 G24 compound treatment 0.479 0.00332 0.1 0.463 -0.0113 -0.34 -0.1639 -0.4658 2142625 PK04_098140 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H01 compound treatment 0.495 0.0193 0.61 0.526 0.0517 1.53 1.5118 0.9181 2142737 PK04_098141 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H02 compound treatment 0.476 3.17E-4 0.01 0.483 0.00866 0.26 0.1884 0.7341 2144017 PK04_098142 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H03 mock treatment 0.455 -0.0207 -0.65 0.463 -0.0113 -0.34 -0.6975 -0.9528 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H04 mock treatment 0.486 0.0103 0.32 0.487 0.0127 0.38 0.4946 0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H05 compound treatment 0.49 0.0143 0.45 0.484 0.00966 0.29 0.5207 0.9761 2143493 PK04_098143 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H06 compound treatment 0.471 -0.00468 -0.15 0.479 0.00466 0.14 -0.0066 -0.0325 2141857 PK04_098144 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccccc65)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H07 compound treatment 0.512 0.0363 1.14 0.487 0.0127 0.38 1.0727 0.8924 2143497 PK04_098145 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H08 compound treatment 0.473 -0.00268 -0.08 0.47 -0.00434 -0.13 -0.1507 -0.979 2141183 PK04_098146 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(OCCO)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NCC=C)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H09 compound treatment 0.48 0.00432 0.14 0.492 0.0177 0.52 0.4659 0.862 2143289 PK04_098147 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H10 compound treatment 0.484 0.00832 0.26 0.485 0.0107 0.32 0.4082 0.9956 2142033 PK04_098148 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H11 compound treatment 0.471 -0.00468 -0.15 0.467 -0.00734 -0.22 -0.258 -0.9819 2143345 PK04_098149 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H12 compound treatment 0.478 0.00232 0.07 0.492 0.0177 0.52 0.4215 0.7979 2141965 PK04_098150 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H13 compound treatment 0.47 -0.00568 -0.18 0.496 0.0217 0.64 0.3274 0.4915 2142053 PK04_098151 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H14 compound treatment 0.48 0.00432 0.14 0.487 0.0127 0.38 0.3612 0.9056 2143285 PK04_098152 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H15 compound treatment 0.445 -0.0307 -0.96 0.45 -0.0243 -0.72 -1.1923 -0.9897 2143953 PK04_098153 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H16 compound treatment 0.489 0.0133 0.42 0.489 0.0147 0.43 0.6032 0.9998 2142849 PK04_098154 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H17 compound treatment 0.478 0.00232 0.07 0.486 0.0117 0.35 0.2958 0.8378 2142197 PK04_098155 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H18 compound treatment 0.497 0.0213 0.67 0.497 0.0227 0.67 0.9487 1.0 2141678 PK04_098156 COc1ccc(C#Cc2ccc3NC(=O)[C@]4([C@@H]([C@@H]5N([C@@H]4c6ccccc6OCCO)[C@H]([C@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)NCC=C)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H19 mock treatment 0.461 -0.0147 -0.46 0.464 -0.0103 -0.31 -0.5432 -0.9802 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H20 mock treatment 0.463 -0.0127 -0.4 0.476 0.00166 0.05 -0.2473 -0.6154 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H21 compound treatment 0.461 -0.0147 -0.46 0.445 -0.0293 -0.87 -0.9413 -0.9561 2142657 PK04_098157 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H22 compound treatment 0.476 3.17E-4 0.01 0.469 -0.00534 -0.16 -0.1049 -0.6612 2141194 PK04_098158 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NCC=C)[C@@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@H]([C@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H23 compound treatment 0.473 -0.00268 -0.08 0.47 -0.00434 -0.13 -0.1507 -0.979 2142665 PK04_098159 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 H24 compound treatment 0.483 0.00732 0.23 0.476 0.00166 0.05 0.1974 0.8391 2141813 PK04_098160 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I01 compound treatment 0.507 0.0313 0.98 0.511 0.0367 1.09 1.4644 0.9988 2141395 PK04_098161 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I02 compound treatment 0.47 -0.00568 -0.18 0.477 0.00266 0.08 -0.0707 -0.3621 2144813 PK04_098162 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I03 compound treatment 0.521 0.0453 1.42 0.515 0.0407 1.2 1.8594 0.9965 2141107 PK04_098163 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)O)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I04 compound treatment 0.47 -0.00568 -0.18 0.467 -0.00734 -0.22 -0.2802 -0.9952 2142597 PK04_098164 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I05 mock treatment 0.476 3.17E-4 0.01 0.468 -0.00634 -0.19 -0.1259 -0.6686 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I06 mock treatment 0.462 -0.0137 -0.43 0.457 -0.0173 -0.51 -0.6676 -0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I07 compound treatment 0.475 -6.83E-4 -0.02 0.462 -0.0123 -0.37 -0.2738 -0.7473 2141144 PK04_098165 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I08 compound treatment 0.475 -6.83E-4 -0.02 0.476 0.00166 0.05 0.0195 0.3646 2142693 PK04_098166 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I09 compound treatment 0.472 -0.00368 -0.12 0.466 -0.00834 -0.25 -0.2567 -0.9403 2141896 PK04_098167 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccccc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I10 compound treatment 0.492 0.0163 0.51 0.475 6.56E-4 0.02 0.3766 0.7334 2141957 PK04_098168 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I11 compound treatment 0.474 -0.00168 -0.05 0.46 -0.0143 -0.43 -0.3379 -0.789 2141394 PK04_098169 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I12 compound treatment 0.499 0.0233 0.73 0.489 0.0147 0.43 0.8255 0.9688 2142049 PK04_098170 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I13 compound treatment 0.496 0.0203 0.64 0.483 0.00866 0.26 0.6331 0.9197 2141346 PK04_098171 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccccc5OCCO)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I14 compound treatment 0.5 0.0243 0.76 0.486 0.0117 0.35 0.7849 0.9355 2143477 PK04_098172 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I15 compound treatment 0.479 0.00332 0.1 0.469 -0.00534 -0.16 -0.0382 -0.2015 2141373 PK04_098173 OCCOc1ccccc1[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I16 compound treatment 0.481 0.00532 0.17 0.469 -0.00534 -0.16 0.0063 0.0272 2144645 PK04_098174 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I17 compound treatment 0.48 0.00432 0.14 0.489 0.0147 0.43 0.4031 0.8859 2141116 PK04_098175 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I18 compound treatment 0.465 -0.0107 -0.34 0.467 -0.00734 -0.22 -0.3914 -0.9779 2142097 PK04_098176 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I19 compound treatment 0.486 0.0103 0.32 0.47 -0.00434 -0.13 0.1384 0.3965 2141442 PK04_098177 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)Nc8nc9ccccc9s8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I20 compound treatment 0.477 0.00132 0.04 0.47 -0.00434 -0.13 -0.0617 -0.4565 2142005 PK04_098178 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I21 mock treatment 0.469 -0.00668 -0.21 0.471 -0.00334 -0.1 -0.2186 -0.9412 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I22 mock treatment 0.461 -0.0147 -0.46 0.458 -0.0163 -0.48 -0.6689 -0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I23 compound treatment 0.51 0.0343 1.08 0.507 0.0327 0.97 1.4472 0.9985 2141137 PK04_098179 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 I24 compound treatment 0.481 0.00532 0.17 0.481 0.00666 0.2 0.2577 0.9966 2144905 PK04_098180 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J01 compound treatment 0.489 0.0133 0.42 0.508 0.0337 1.0 1.0013 0.9257 2142853 PK04_098181 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J02 compound treatment 0.463 -0.0127 -0.4 0.473 -0.00134 -0.04 -0.3101 -0.7739 2141434 PK04_098182 COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]3[C@H]4N([C@@H](c5ccc(O)cc5)[C@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@@H]([C@@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J03 compound treatment 0.477 0.00132 0.04 0.474 -3.44E-4 -0.01 0.0221 0.5178 2142925 PK04_098183 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#Cc8ccc(OC)cc8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J04 compound treatment 0.475 -6.83E-4 -0.02 0.47 -0.00434 -0.13 -0.1062 -0.8138 2141810 PK04_098184 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CC6(O)CCCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J05 mock treatment 0.467 -0.00868 -0.27 0.464 -0.0103 -0.31 -0.4098 -0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J06 mock treatment 0.473 -0.00268 -0.08 0.463 -0.0113 -0.34 -0.2973 -0.8579 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J07 compound treatment 0.491 0.0153 0.48 0.481 0.00666 0.2 0.48 0.9223 2143253 PK04_098185 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J08 compound treatment 0.486 0.0103 0.32 0.482 0.00766 0.23 0.3898 0.9847 2141219 PK04_098186 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)NC[C@H](O)c4ccccc4)[C@@]25C(=O)Nc6ccc(C#CC7=CCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J09 compound treatment 0.485 0.00932 0.29 0.491 0.0167 0.49 0.5562 0.969 2142945 PK04_098187 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J10 compound treatment 0.478 0.00232 0.07 0.474 -3.44E-4 -0.01 0.0443 0.6024 2141450 PK04_098188 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J11 compound treatment 0.484 0.00832 0.26 0.478 0.00366 0.11 0.2615 0.9239 2144285 PK04_098189 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J12 compound treatment 0.55 0.0743 2.34 0.532 0.0577 1.71 2.8604 0.9882 2141139 PK04_098190 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)O)[C@]24C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J13 compound treatment 0.466 -0.00968 -0.3 0.455 -0.0193 -0.57 -0.6206 -0.9562 2143473 PK04_098191 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J14 compound treatment 0.48 0.00432 0.14 0.479 0.00466 0.14 0.1936 1.0 2144013 PK04_098192 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J15 compound treatment 0.464 -0.0117 -0.37 0.471 -0.00334 -0.1 -0.3298 -0.8669 2142837 PK04_098193 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J16 compound treatment 0.475 -6.83E-4 -0.02 0.475 6.56E-4 0.02 -0.0014 -0.0492 2141784 PK04_098194 NC(=O)NCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J17 compound treatment 0.49 0.0143 0.45 0.504 0.0297 0.88 0.9397 0.9517 2144425 PK04_098195 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J18 compound treatment 0.489 0.0133 0.42 0.488 0.0137 0.4 0.5822 0.9999 2141332 PK04_098196 COc1ccc(C#Cc2ccc3NC(=O)[C@@]4([C@H]([C@H]5N([C@H]4c6ccccc6OCCO)[C@@H]([C@@H](OC5=O)c7ccccc7)c8ccccc8)C(=O)Nc9nc%10ccccc%10s9)c3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J19 compound treatment 0.49 0.0143 0.45 0.486 0.0117 0.35 0.5626 0.9914 2143957 PK04_098197 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J20 compound treatment 0.487 0.0113 0.36 0.481 0.00666 0.2 0.3911 0.9612 2141933 PK04_098198 Oc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)N4CCCCCCC4)[C@]25C(=O)Nc6ccccc65)C(=O)O[C@@H]([C@@H]3c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J21 mock treatment 0.464 -0.0117 -0.37 0.464 -0.0103 -0.31 -0.4765 -0.9959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J22 mock treatment 0.473 -0.00268 -0.08 0.468 -0.00634 -0.19 -0.1926 -0.9346 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J23 compound treatment 0.487 0.0113 0.36 0.496 0.0217 0.64 0.7054 0.9613 2144049 PK04_098199 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 J24 compound treatment 0.502 0.0263 0.83 0.486 0.0117 0.35 0.8294 0.9249 2141196 PK04_098200 OCCOc1ccc(cc1)[C@@H]2N3[C@H]([C@H](C(=O)N4CCCCCCC4)[C@@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@H]([C@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K01 compound treatment 0.481 0.00532 0.17 0.519 0.0447 1.32 1.0539 0.7902 2141522 PK04_098201 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(OCCO)cc5)[C@@]36C(=O)Nc7ccc(C#CCNC(=O)N)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K02 compound treatment 0.467 -0.00868 -0.27 0.49 0.0157 0.46 0.135 0.2508 2142617 PK04_098202 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K03 compound treatment 0.471 -0.00468 -0.15 0.476 0.00166 0.05 -0.0694 -0.4472 2141439 PK04_098203 OCCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K04 compound treatment 0.495 0.0193 0.61 0.471 -0.00334 -0.1 0.3594 0.584 2143329 PK04_098204 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K05 compound treatment 0.481 0.00532 0.17 0.468 -0.00634 -0.19 -0.0147 -0.0584 2141725 PK04_098205 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NC[C@H](O)c4ccccc4)[C@]25C(=O)Nc6ccc(C#CC7(O)CCCCCC7)cc65)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K06 compound treatment 0.478 0.00232 0.07 0.485 0.0107 0.32 0.2748 0.848 2142973 PK04_098206 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K07 mock treatment 0.505 0.0293 0.92 0.466 -0.00834 -0.25 0.477 0.4998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K08 mock treatment 0.489 0.0133 0.42 0.468 -0.00634 -0.19 0.1632 0.3555 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K09 compound treatment 0.502 0.0263 0.83 0.472 -0.00234 -0.07 0.536 0.6455 2141136 PK04_098207 COC(=O)C(CC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccccc5OCCO)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K10 compound treatment 0.473 -0.00268 -0.08 0.471 -0.00334 -0.1 -0.1297 -0.9968 2143005 PK04_098208 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K11 compound treatment 0.532 0.0563 1.77 0.516 0.0417 1.23 2.125 0.9844 2141925 PK04_098209 NC(=O)[C@@H]1[C@@H]2N([C@H](c3ccccc3OCCO)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K12 compound treatment 0.493 0.0173 0.54 0.486 0.0117 0.35 0.6293 0.9759 2144741 PK04_098210 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K13 compound treatment 0.514 0.0383 1.2 0.479 0.00466 0.14 0.9495 0.783 2141147 PK04_098211 OC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccc(C#CC6=CCCCC6)cc54)[C@H]([C@H](OC2=O)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K14 compound treatment 0.503 0.0273 0.86 0.491 0.0167 0.49 0.9564 0.9654 2143465 PK04_098212 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K15 mock treatment 0.486 0.0103 0.32 0.47 -0.00434 -0.13 0.1384 0.3965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K16 mock treatment 0.498 0.0223 0.7 0.479 0.00466 0.14 0.5938 0.8302 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K17 compound treatment 0.495 0.0193 0.61 0.466 -0.00834 -0.25 0.2547 0.3883 2141530 PK04_098213 OCCOc1ccc(cc1)[C@H]2N3[C@@H]([C@@H](C(=O)Nc4nc5ccccc5s4)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K18 compound treatment 0.482 0.00632 0.2 0.486 0.0117 0.35 0.3847 0.9655 2143169 PK04_098214 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K19 compound treatment 0.478 0.00232 0.07 0.47 -0.00434 -0.13 -0.0395 -0.267 2141707 PK04_098215 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)N4CCN(CC4)c5ncccn5)[C@]26C(=O)Nc7ccc(C#CCCO)cc76)C(=O)O[C@@H]([C@@H]3c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K20 compound treatment 0.471 -0.00468 -0.15 0.461 -0.0133 -0.4 -0.3837 -0.9094 2143073 PK04_098216 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K21 compound treatment 0.468 -0.00768 -0.24 0.455 -0.0193 -0.57 -0.5761 -0.9262 2141428 PK04_098217 NC(=O)NCC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)NC[C@H](O)c8ccccc8)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K22 compound treatment 0.492 0.0163 0.51 0.47 -0.00434 -0.13 0.2718 0.5138 2142725 PK04_098218 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K23 mock treatment 0.478 0.00232 0.07 0.458 -0.0163 -0.48 -0.2909 -0.594 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 K24 mock treatment 0.486 0.0103 0.32 0.475 6.56E-4 0.02 0.2431 0.7481 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L01 compound treatment 0.53 0.0543 1.71 0.518 0.0437 1.29 2.1224 0.9906 2143889 PK04_098219 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L02 compound treatment 0.481 0.00532 0.17 0.492 0.0177 0.52 0.4882 0.8888 2141700 PK04_098220 OCCOc1ccccc1[C@H]2N3[C@@H]([C@@H](C(=O)NCC=C)[C@]24C(=O)Nc5ccc(C#CCCO)cc54)C(=O)O[C@@H]([C@@H]3c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L03 compound treatment 0.464 -0.0117 -0.37 0.464 -0.0103 -0.31 -0.4765 -0.9959 2142733 PK04_098221 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L04 compound treatment 0.477 0.00132 0.04 0.487 0.0127 0.38 0.2945 0.7805 2141934 PK04_098222 O[C@@H](CNC(=O)[C@@H]1[C@@H]2N([C@H](c3ccc(O)cc3)[C@@]14C(=O)Nc5ccccc54)[C@H]([C@H](OC2=O)c6ccccc6)c7ccccc7)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L05 compound treatment 0.465 -0.0107 -0.34 0.474 -3.44E-4 -0.01 -0.2447 -0.7282 2143873 PK04_098223 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L06 compound treatment 0.493 0.0173 0.54 0.482 0.00766 0.23 0.5455 0.9247 2141797 PK04_098224 COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]3[C@@H]4N([C@H](c5ccc(O)cc5)[C@@]36C(=O)Nc7ccc(C#CCCO)cc76)[C@H]([C@H](OC4=O)c8ccccc8)c9ccccc9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L07 mock treatment 0.48 0.00432 0.14 0.461 -0.0133 -0.4 -0.1836 -0.4392 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L08 mock treatment 0.471 -0.00468 -0.15 0.486 0.0117 0.35 0.1401 0.3732 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L09 compound treatment 0.489 0.0133 0.42 0.494 0.0197 0.58 0.708 0.9869 2142957 PK04_098225 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L10 compound treatment 0.494 0.0183 0.58 0.491 0.0167 0.49 0.7563 0.997 3413983 PK04_098226 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L11 compound treatment 0.491 0.0153 0.48 0.489 0.0147 0.43 0.6477 0.9987 2142717 PK04_098227 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L12 compound treatment 0.511 0.0353 1.11 0.521 0.0467 1.38 1.7628 0.9941 3413985 PK04_098228 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L13 compound treatment 0.478 0.00232 0.07 0.483 0.00866 0.26 0.2329 0.8734 2143357 PK04_098229 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L14 compound treatment 0.542 0.0663 2.09 0.535 0.0607 1.8 2.7454 0.9973 3413987 PK04_098230 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L15 mock treatment 0.488 0.0123 0.39 0.489 0.0147 0.43 0.581 0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L16 mock treatment 0.49 0.0143 0.45 0.489 0.0147 0.43 0.6254 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L17 compound treatment 0.487 0.0113 0.36 0.491 0.0167 0.49 0.6006 0.9871 2143089 PK04_098231 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10(O)CCCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L18 compound treatment 0.489 0.0133 0.42 0.49 0.0157 0.46 0.6241 0.9987 3413990 PK04_098232 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L19 compound treatment 0.489 0.0133 0.42 0.485 0.0107 0.32 0.5194 0.9903 2144137 PK04_098233 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L20 compound treatment 0.484 0.00832 0.26 0.482 0.00766 0.23 0.3453 0.9975 3413992 PK04_098234 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L21 compound treatment 0.478 0.00232 0.07 0.48 0.00566 0.17 0.17 0.9304 2143369 PK04_098235 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L22 compound treatment 0.492 0.0163 0.51 0.496 0.0217 0.64 0.8166 0.9939 3413998 PK04_098236 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@@H]4OC(=O)[C@H](Cc5cccc(Br)c5)C/C=C/C[C@@H](Cc6cccc(Br)c6)C(=O)O[C@@H]14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L23 mock treatment 0.461 -0.0147 -0.46 0.482 0.00766 0.23 -0.166 -0.3228 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 L24 mock treatment 0.489 0.0133 0.42 0.498 0.0237 0.7 0.7918 0.9697 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M01 compound treatment 0.515 0.0393 1.24 0.498 0.0237 0.7 1.3698 0.9639 2141977 PK04_098237 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M02 compound treatment 0.477 0.00132 0.04 0.493 0.0187 0.55 0.4202 0.758 2144277 PK04_098238 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M03 compound treatment 0.445 -0.0307 -0.96 0.45 -0.0243 -0.72 -1.1923 -0.9897 2143353 PK04_098239 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M04 compound treatment 0.462 -0.0137 -0.43 0.457 -0.0173 -0.51 -0.6676 -0.9961 2142753 PK04_098240 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9(O)CCCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M05 compound treatment 0.468 -0.00768 -0.24 0.458 -0.0163 -0.48 -0.5133 -0.9484 2142713 PK04_098241 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M06 compound treatment 0.485 0.00932 0.29 0.491 0.0167 0.49 0.5562 0.969 2143893 PK04_098242 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M07 compound treatment 0.494 0.0183 0.58 0.496 0.0217 0.64 0.861 0.9985 2143173 PK04_098243 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M08 compound treatment 0.456 -0.0197 -0.62 0.468 -0.00634 -0.19 -0.5705 -0.8821 2143913 PK04_098244 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M09 mock treatment 0.48 0.00432 0.14 0.49 0.0157 0.46 0.424 0.8772 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M10 mock treatment 0.472 -0.00368 -0.12 0.466 -0.00834 -0.25 -0.2567 -0.9403 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M11 compound treatment 0.489 0.0133 0.42 0.498 0.0237 0.7 0.7918 0.9697 2143965 PK04_098245 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M12 compound treatment 0.477 0.00132 0.04 0.491 0.0167 0.49 0.3783 0.7638 2144453 PK04_098246 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M13 mock treatment 0.482 0.00632 0.2 0.475 6.56E-4 0.02 0.1542 0.7726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M14 mock treatment 0.472 -0.00368 -0.12 0.484 0.00966 0.29 0.1204 0.3902 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M15 compound treatment 0.487 0.0113 0.36 0.481 0.00666 0.2 0.3911 0.9612 2142065 PK04_098247 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M16 compound treatment 0.488 0.0123 0.39 0.501 0.0267 0.79 0.8324 0.9462 2143293 PK04_098248 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M17 compound treatment 0.512 0.0363 1.14 0.493 0.0187 0.55 1.1984 0.9446 2142857 PK04_098249 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M18 compound treatment 0.497 0.0213 0.67 0.493 0.0187 0.55 0.8649 0.9954 2142613 PK04_098250 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M19 compound treatment 0.477 0.00132 0.04 0.487 0.0127 0.38 0.2945 0.7805 2142697 PK04_098251 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M20 compound treatment 0.5 0.0243 0.76 0.484 0.00966 0.29 0.743 0.9101 2144821 PK04_098252 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M21 compound treatment 0.477 0.00132 0.04 0.462 -0.0123 -0.37 -0.2293 -0.623 2142965 PK04_098253 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M22 compound treatment 0.504 0.0283 0.89 0.493 0.0187 0.55 1.0205 0.9737 2144777 PK04_098254 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M23 compound treatment 0.48 0.00432 0.14 0.489 0.0147 0.43 0.4031 0.8859 2141143 PK04_098255 OCCC#Cc1ccc2NC(=O)[C@]3([C@@H]([C@@H]4N([C@@H]3c5ccc(O)cc5)[C@H]([C@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 M24 compound treatment 0.523 0.0473 1.49 0.511 0.0367 1.09 1.8201 0.988 2144937 PK04_098256 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N01 compound treatment 0.526 0.0503 1.58 0.511 0.0367 1.09 1.8868 0.9832 2144901 PK04_098257 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N02 compound treatment 0.509 0.0333 1.05 0.533 0.0587 1.74 1.9698 0.9706 3413999 PK04_098258 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N03 compound treatment 0.476 3.17E-4 0.01 0.495 0.0207 0.61 0.4399 0.7185 2143297 PK04_098259 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N04 compound treatment 0.505 0.0293 0.92 0.51 0.0357 1.06 1.3989 0.9977 3414005 PK04_098260 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@@H]3OC(=O)[C@H](Cc4cccc(Br)c4)C/C=C/C[C@@H](Cc5cccc(Br)c5)C(=O)O[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N05 compound treatment 0.474 -0.00168 -0.05 0.479 0.00466 0.14 0.0602 0.4071 2142017 PK04_098261 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N06 compound treatment 0.487 0.0113 0.36 0.483 0.00866 0.26 0.433 0.9871 3188747 PK04_098262 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)CCc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N07 compound treatment 0.483 0.00732 0.23 0.479 0.00466 0.14 0.2603 0.9701 2143017 PK04_098263 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N08 compound treatment 0.525 0.0493 1.55 0.508 0.0337 1.0 1.8017 0.9772 3188748 PK04_098264 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N09 mock treatment 0.488 0.0123 0.39 0.465 -0.00934 -0.28 0.0781 0.164 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N10 mock treatment 0.486 0.0103 0.32 0.478 0.00366 0.11 0.306 0.8947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N11 compound treatment 0.479 0.00332 0.1 0.481 0.00666 0.2 0.2132 0.9557 2144265 PK04_098265 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N12 compound treatment 0.52 0.0443 1.39 0.526 0.0517 1.53 2.0677 0.9989 3069249 PK04_098266 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)c3c(OC)cccc3OC)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N13 mock treatment 0.485 0.00932 0.29 0.474 -3.44E-4 -0.01 0.2 0.6821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N14 mock treatment 0.472 -0.00368 -0.12 0.474 -3.44E-4 -0.01 -0.0891 -0.7663 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N15 compound treatment 0.491 0.0153 0.48 0.487 0.0127 0.38 0.6057 0.9923 2143165 PK04_098267 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N16 compound treatment 0.516 0.0403 1.27 0.512 0.0377 1.12 1.6854 0.998 3188751 PK04_098268 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N17 compound treatment 0.486 0.0103 0.32 0.484 0.00966 0.29 0.4317 0.998 2144365 PK04_098269 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N18 compound treatment 0.54 0.0643 2.02 0.533 0.0587 1.74 2.659 0.9972 3188752 PK04_098270 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N19 compound treatment 0.478 0.00232 0.07 0.48 0.00566 0.17 0.17 0.9304 2142105 PK04_098271 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N20 compound treatment 0.505 0.0293 0.92 0.502 0.0277 0.82 1.2313 0.9983 3068687 PK04_098272 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(OC)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N21 compound treatment 0.47 -0.00568 -0.18 0.475 6.56E-4 0.02 -0.1126 -0.6265 2144245 PK04_098273 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N22 compound treatment 0.518 0.0423 1.33 0.517 0.0427 1.26 1.8346 0.9997 3068689 PK04_098274 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4OCOc4c3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N23 compound treatment 0.463 -0.0127 -0.4 0.465 -0.00934 -0.28 -0.4778 -0.9841 2143153 PK04_098275 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CC9=CCCCC9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 N24 compound treatment 0.564 0.0883 2.78 0.563 0.0887 2.63 3.8212 0.9996 3188876 PK04_098276 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O01 compound treatment 0.526 0.0503 1.58 0.523 0.0487 1.44 2.1382 0.9989 2143373 PK04_098277 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCC(C(=O)OC)C(=O)OC)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O02 compound treatment 0.495 0.0193 0.61 0.492 0.0177 0.52 0.7994 0.9972 2142209 PK04_098278 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CC%10=CCCCC%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O03 compound treatment 0.489 0.0133 0.42 0.486 0.0117 0.35 0.5403 0.9954 2144345 PK04_098279 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8(O)CCCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O04 compound treatment 0.453 -0.0227 -0.71 0.463 -0.0113 -0.34 -0.742 -0.9411 2142673 PK04_098280 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O05 compound treatment 0.498 0.0223 0.7 0.487 0.0127 0.38 0.7614 0.9569 2143977 PK04_098281 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O06 compound treatment 0.472 -0.00368 -0.12 0.465 -0.00934 -0.28 -0.2777 -0.9252 2142077 PK04_098282 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O07 compound treatment 0.474 -0.00168 -0.05 0.474 -3.44E-4 -0.01 -0.0446 -0.828 2141985 PK04_098283 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O08 compound treatment 0.526 0.0503 1.58 0.532 0.0577 1.71 2.3268 0.9993 2143485 PK04_098284 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O09 compound treatment 0.502 0.0263 0.83 0.497 0.0227 0.67 1.0598 0.9946 2144665 PK04_098285 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O10 compound treatment 0.483 0.00732 0.23 0.496 0.0217 0.64 0.6165 0.9043 2143273 PK04_098286 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O11 mock treatment 0.492 0.0163 0.51 0.505 0.0307 0.91 1.0051 0.9634 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O12 mock treatment 0.491 0.0153 0.48 0.501 0.0267 0.79 0.8991 0.9719 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O13 compound treatment 0.501 0.0253 0.8 0.484 0.00966 0.29 0.7652 0.9046 2144773 PK04_098287 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7ccccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O14 compound treatment 0.508 0.0323 1.02 0.505 0.0307 0.91 1.3609 0.9984 2143945 PK04_098288 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCCO)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O15 compound treatment 0.513 0.0373 1.17 0.504 0.0297 0.88 1.4511 0.9899 2144317 PK04_098289 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCC(C(=O)OC)C(=O)OC)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O16 compound treatment 0.508 0.0323 1.02 0.493 0.0187 0.55 1.1094 0.9591 2143905 PK04_098290 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O17 compound treatment 0.504 0.0283 0.89 0.505 0.0307 0.91 1.2719 0.9999 2143917 PK04_098291 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCNC(=O)N)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O18 compound treatment 0.511 0.0353 1.11 0.517 0.0427 1.26 1.679 0.9979 2144253 PK04_098292 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O19 compound treatment 0.516 0.0403 1.27 0.515 0.0407 1.2 1.7483 0.9997 2144105 PK04_098293 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CC8=CCCCC8)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O20 compound treatment 0.509 0.0333 1.05 0.498 0.0237 0.7 1.2364 0.9809 2144293 PK04_098294 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O21 compound treatment 0.501 0.0253 0.8 0.508 0.0337 1.0 1.2681 0.9938 2142997 PK04_098295 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O22 compound treatment 0.519 0.0433 1.36 0.511 0.0367 1.09 1.7312 0.9937 2144737 PK04_098296 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O23 compound treatment 0.501 0.0253 0.8 0.503 0.0287 0.85 1.1633 0.9995 2141452 PK04_098297 COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccc(O)cc5)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N)c2c1)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 O24 compound treatment 0.521 0.0453 1.42 0.52 0.0457 1.35 1.9642 0.9997 2142677 PK04_098298 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NC[C@H](O)c7ccccc7)c8cc(C#CCCO)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P01 compound treatment 0.577 0.101 3.19 0.581 0.107 3.16 4.4874 1.0 2144005 PK04_098299 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P02 compound treatment 0.564 0.0883 2.78 0.577 0.103 3.04 4.1146 0.999 3068772 PK04_098300 CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@H](OC(=O)Nc3ccc(C#N)cc3)[C@@H](CO)O[C@H](OC)[C@@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P03 compound treatment 0.485 0.00932 0.29 0.487 0.0127 0.38 0.4723 0.9925 2142593 PK04_098301 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccccc4OCCO)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P04 compound treatment 0.569 0.0933 2.93 0.572 0.0977 2.89 4.121 1.0 3000699 PK04_098302 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)CCc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P05 compound treatment 0.531 0.0553 1.74 0.554 0.0797 2.36 2.8989 0.9887 2144921 PK04_098303 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8ccccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P06 compound treatment 0.559 0.0833 2.62 0.56 0.0857 2.54 3.6472 0.9999 3000700 PK04_098304 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P07 compound treatment 0.502 0.0263 0.83 0.495 0.0207 0.61 1.0179 0.989 2143937 PK04_098305 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P08 compound treatment 0.571 0.0953 3.0 0.578 0.104 3.07 4.2912 0.9999 3000701 PK04_098306 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2c(OC)cccc2OC)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P09 compound treatment 0.498 0.0223 0.7 0.516 0.0417 1.23 1.369 0.9642 2144785 PK04_098307 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9ccccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P10 compound treatment 0.536 0.0603 1.9 0.549 0.0747 2.21 2.9053 0.9971 3089322 PK04_098308 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P11 mock treatment 0.482 0.00632 0.2 0.485 0.0107 0.32 0.3637 0.975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P12 mock treatment 0.538 0.0623 1.96 0.524 0.0497 1.47 2.426 0.99 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P13 compound treatment 0.526 0.0503 1.58 0.513 0.0387 1.15 1.9287 0.9874 2144213 PK04_098309 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCN(CC7)c8ncccn8)c9cc(C#Cc%10ccc(OC)cc%10)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P14 compound treatment 0.56 0.0843 2.65 0.568 0.0937 2.78 3.8371 0.9997 3089323 PK04_098310 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2cccc(F)c2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P15 compound treatment 0.532 0.0563 1.77 0.491 0.0167 0.49 1.6012 0.871 2144225 PK04_098311 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(O)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCNC(=O)N)ccc17 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P16 compound treatment 0.547 0.0713 2.24 0.543 0.0687 2.03 3.0242 0.9988 3000703 PK04_098312 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P17 compound treatment 0.498 0.0223 0.7 0.518 0.0437 1.29 1.4109 0.9587 2141953 PK04_098313 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(OCCO)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P18 compound treatment 0.57 0.0943 2.97 0.559 0.0847 2.51 3.8708 0.9965 3000704 PK04_098314 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc3OCOc3c2)[C@H](OC(=O)c4cc5ccccc5[nH]4)[C@H]1OC(=O)c6cc7ccccc7[nH]6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P19 compound treatment 0.515 0.0393 1.24 0.518 0.0437 1.29 1.7889 0.9997 2143337 PK04_098315 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCc8cc(OC)c(OC)cc8C7)c9cc(C#CCCO)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P20 compound treatment 0.566 0.0903 2.84 0.56 0.0857 2.54 3.8028 0.9984 3089326 PK04_098316 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P21 compound treatment 0.511 0.0353 1.11 0.485 0.0107 0.32 1.0085 0.8735 2143233 PK04_098317 COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccc(OCCO)cc4)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)N7CCCCCCC7)c8cc(C#Cc9ccc(OC)cc9)ccc18 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P22 compound treatment 0.57 0.0943 2.97 0.553 0.0787 2.33 3.7451 0.9929 3089328 PK04_098318 CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C#N)cc2)[C@H](OC(=O)c3cc4ccccc4[nH]3)[C@H]1OC(=O)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P23 compound treatment 0.524 0.0483 1.52 0.509 0.0347 1.03 1.8004 0.9818 2142969 PK04_098319 COCCOC(=O)N1C(=O)[C@@]2([C@H]([C@H]3N([C@H]2c4ccc(O)cc4)[C@@H]([C@@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)Nc7nc8ccccc8s7)c9cc(C#CCNC(=O)N)ccc19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2098 P24 compound treatment 0.538 0.0623 1.96 0.536 0.0617 1.83 2.6774 0.9994 3189006 PK04_098320 CC(C)[Si](OCCCNS(=O)(=O)c1ccc(Br)cc1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A01 compound treatment 0.503 0.0229 0.72 0.51 0.0353 1.04 1.2486 0.9836 3052787 PK04_100001 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A02 compound treatment 0.525 0.0449 1.41 0.546 0.0713 2.11 2.492 0.9809 3052649 PK04_100002 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A03 compound treatment 0.483 0.00292 0.09 0.469 -0.00573 -0.17 -0.0552 -0.2857 3176622 PK04_100003 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A04 compound treatment 0.501 0.0209 0.66 0.544 0.0693 2.05 1.9165 0.8892 3175961 PK04_100004 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A05 compound treatment 0.49 0.00992 0.31 0.478 0.00327 0.1 0.289 0.8848 3176556 PK04_100005 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A06 compound treatment 0.533 0.0529 1.66 0.536 0.0613 1.82 2.4603 0.9991 3176630 PK04_100006 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A07 compound treatment 0.501 0.0209 0.66 0.466 -0.00873 -0.26 0.2822 0.3991 3175901 PK04_100007 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A08 compound treatment 0.535 0.0549 1.73 0.517 0.0423 1.25 2.1067 0.9876 3176729 PK04_100008 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A09 compound treatment 0.513 0.0329 1.04 0.51 0.0353 1.04 1.4709 1.0 3052580 PK04_100009 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A10 compound treatment 0.48 -7.81E-5 0.0 0.482 0.00727 0.22 0.1505 0.699 3176731 PK04_100010 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A11 compound treatment 0.502 0.0219 0.69 0.502 0.0273 0.81 1.0587 0.9969 3176633 PK04_100011 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A12 compound treatment 0.496 0.0159 0.5 0.472 -0.00273 -0.08 0.2967 0.5851 3176445 PK04_100012 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A13 mock treatment 0.498 0.0179 0.56 0.496 0.0213 0.63 0.844 0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A14 mock treatment 0.488 0.00792 0.25 0.483 0.00827 0.24 0.3493 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A15 compound treatment 0.495 0.0149 0.47 0.496 0.0213 0.63 0.7773 0.9895 3175963 PK04_100013 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A16 compound treatment 0.492 0.0119 0.37 0.495 0.0203 0.6 0.6897 0.9743 3052785 PK04_100014 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A17 compound treatment 0.491 0.0109 0.34 0.482 0.00727 0.22 0.3951 0.9747 3052837 PK04_100015 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A18 compound treatment 0.482 0.00192 0.06 0.471 -0.00373 -0.11 -0.0355 -0.2817 3176262 PK04_100016 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A19 compound treatment 0.487 0.00692 0.22 0.478 0.00327 0.1 0.2223 0.9334 3176686 PK04_100017 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A20 compound treatment 0.477 -0.00308 -0.1 0.464 -0.0107 -0.32 -0.2934 -0.8823 3176371 PK04_100018 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A21 compound treatment 0.488 0.00792 0.25 0.471 -0.00373 -0.11 0.0979 0.3591 3052829 PK04_100019 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A22 compound treatment 0.475 -0.00508 -0.16 0.468 -0.00673 -0.2 -0.254 -0.9939 3052833 PK04_100020 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A23 compound treatment 0.486 0.00592 0.19 0.471 -0.00373 -0.11 0.0534 0.2466 3052878 PK04_100021 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 A24 compound treatment 0.469 -0.0111 -0.35 0.457 -0.0177 -0.53 -0.6179 -0.9801 3052694 PK04_100022 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B01 compound treatment 0.482 0.00192 0.06 0.479 0.00427 0.13 0.1321 0.9429 3052928 PK04_100023 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B02 compound treatment 0.486 0.00592 0.19 0.479 0.00427 0.13 0.221 0.9822 3052800 PK04_100024 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B03 compound treatment 0.472 -0.00808 -0.25 0.461 -0.0137 -0.41 -0.4674 -0.9743 3052842 PK04_100025 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B04 compound treatment 0.486 0.00592 0.19 0.493 0.0183 0.54 0.5144 0.8987 3176782 PK04_100026 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B05 compound treatment 0.471 -0.00908 -0.29 0.453 -0.0217 -0.64 -0.6572 -0.933 3175971 PK04_100027 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B06 compound treatment 0.475 -0.00508 -0.16 0.47 -0.00473 -0.14 -0.2121 -0.9979 3176561 PK04_100028 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B07 compound treatment 0.479 -0.00108 -0.03 0.452 -0.0227 -0.67 -0.5003 -0.7418 3176369 PK04_100029 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B08 compound treatment 0.484 0.00392 0.12 0.475 2.66E-4 0.01 0.0928 0.7507 3176441 PK04_100030 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B09 compound treatment 0.479 -0.00108 -0.03 0.481 0.00627 0.19 0.1073 0.5686 3052641 PK04_100031 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B10 compound treatment 0.486 0.00592 0.19 0.482 0.00727 0.22 0.2839 0.9974 3176555 PK04_100032 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B11 compound treatment 0.474 -0.00608 -0.19 0.483 0.00827 0.24 0.038 0.1225 3176554 PK04_100033 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B12 compound treatment 0.485 0.00492 0.15 0.465 -0.00973 -0.29 -0.0945 -0.2888 3052747 PK04_100034 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B13 mock treatment 0.474 -0.00608 -0.19 0.478 0.00327 0.1 -0.0667 -0.3114 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B14 mock treatment 0.481 9.22E-4 0.03 0.463 -0.0117 -0.35 -0.2254 -0.6459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B15 compound treatment 0.487 0.00692 0.22 0.479 0.00427 0.13 0.2433 0.9666 3052707 PK04_100035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B16 compound treatment 0.487 0.00692 0.22 0.476 0.00127 0.04 0.1804 0.8169 3176447 PK04_100036 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B17 compound treatment 0.474 -0.00608 -0.19 0.469 -0.00573 -0.17 -0.2553 -0.9983 3176194 PK04_100037 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B18 compound treatment 0.482 0.00192 0.06 0.491 0.0163 0.48 0.3835 0.7896 3176504 PK04_100038 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B19 compound treatment 0.468 -0.0121 -0.38 0.467 -0.00773 -0.23 -0.4306 -0.9708 3176439 PK04_100039 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B20 compound treatment 0.439 -0.0411 -1.29 0.455 -0.0197 -0.58 -1.3268 -0.9358 3176678 PK04_100040 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B21 compound treatment 0.486 0.00592 0.19 0.471 -0.00373 -0.11 0.0534 0.2466 3176260 PK04_100041 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B22 compound treatment 0.476 -0.00408 -0.13 0.48 0.00527 0.16 0.0197 0.0973 3176621 PK04_100042 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B23 compound treatment 0.432 -0.0481 -1.51 0.482 0.00727 0.22 -0.9167 -0.6003 3176370 PK04_100043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 B24 compound treatment 0.515 0.0349 1.1 0.493 0.0183 0.54 1.1592 0.9469 3176636 PK04_100044 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C01 compound treatment 0.479 -0.00108 -0.03 0.47 -0.00473 -0.14 -0.1232 -0.8534 3052532 PK04_100045 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C02 compound treatment 0.51 0.0299 0.94 0.509 0.0343 1.02 1.3832 0.9993 3052638 PK04_100046 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C03 compound treatment 0.448 -0.0321 -1.01 0.445 -0.0297 -0.88 -1.3362 -0.9977 3052540 PK04_100047 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C04 compound treatment 0.527 0.0469 1.48 0.513 0.0383 1.13 1.845 0.9915 3052751 PK04_100048 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C05 compound treatment 0.481 9.22E-4 0.03 0.462 -0.0127 -0.38 -0.2463 -0.6509 3052702 PK04_100049 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C06 compound treatment 0.494 0.0139 0.44 0.491 0.0163 0.48 0.6503 0.9988 3176680 PK04_100050 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C07 compound treatment 0.473 -0.00708 -0.22 0.474 -7.34E-4 -0.02 -0.1728 -0.7726 3052743 PK04_100051 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C08 compound treatment 0.509 0.0289 0.91 0.517 0.0423 1.25 1.5286 0.9876 3176043 PK04_100052 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C09 compound treatment 0.465 -0.0151 -0.47 0.489 0.0143 0.42 -0.0363 -0.0572 3052925 PK04_100053 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C10 compound treatment 0.449 -0.0311 -0.98 0.449 -0.0257 -0.76 -1.2302 -0.9925 3176324 PK04_100054 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C11 mock treatment 0.462 -0.0181 -0.57 0.46 -0.0147 -0.44 -0.7107 -0.9915 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C12 mock treatment 0.476 -0.00408 -0.13 0.467 -0.00773 -0.23 -0.2527 -0.9623 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C13 compound treatment 0.478 -0.00208 -0.07 0.491 0.0163 0.48 0.2946 0.6057 3176376 PK04_100055 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C14 compound treatment 0.448 -0.0321 -1.01 0.458 -0.0167 -0.5 -1.0639 -0.9465 3176324 PK04_100056 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C15 mock treatment 0.478 -0.00208 -0.07 0.47 -0.00473 -0.14 -0.1454 -0.9395 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C16 mock treatment 0.485 0.00492 0.15 0.459 -0.0157 -0.47 -0.2202 -0.4483 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C17 compound treatment 0.474 -0.00608 -0.19 0.473 -0.00173 -0.05 -0.1715 -0.8665 3052884 PK04_100057 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C18 compound treatment 0.473 -0.00708 -0.22 0.47 -0.00473 -0.14 -0.2566 -0.9752 3176562 PK04_100058 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C19 compound treatment 0.46 -0.0201 -0.63 0.462 -0.0127 -0.38 -0.7132 -0.9697 3176124 PK04_100059 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C20 compound treatment 0.494 0.0139 0.44 0.458 -0.0167 -0.5 -0.0411 -0.0621 3052784 PK04_100060 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C21 compound treatment 0.46 -0.0201 -0.63 0.461 -0.0137 -0.41 -0.7342 -0.9774 3052792 PK04_100061 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C22 compound treatment 0.462 -0.0181 -0.57 0.454 -0.0207 -0.61 -0.8364 -0.9992 3052749 PK04_100062 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C23 compound treatment 0.517 0.0369 1.16 0.449 -0.0257 -0.76 0.2817 0.2028 3176204 PK04_100063 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 C24 compound treatment 0.484 0.00392 0.12 0.478 0.00327 0.1 0.1556 0.9928 3176041 PK04_100064 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D01 compound treatment 0.49 0.00992 0.31 0.488 0.0133 0.39 0.4986 0.9934 3052926 PK04_100065 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D02 compound treatment 0.466 -0.0141 -0.44 0.48 0.00527 0.16 -0.2027 -0.4318 3176201 PK04_100066 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D03 compound treatment 0.46 -0.0201 -0.63 0.457 -0.0177 -0.53 -0.818 -0.9958 3052885 PK04_100067 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D04 compound treatment 0.468 -0.0121 -0.38 0.478 0.00327 0.1 -0.2001 -0.5106 3176377 PK04_100068 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D05 compound treatment 0.455 -0.0251 -0.79 0.469 -0.00573 -0.17 -0.6777 -0.8402 3052790 PK04_100069 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D06 compound treatment 0.468 -0.0121 -0.38 0.462 -0.0127 -0.38 -0.5354 -1.0 3052881 PK04_100070 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D07 compound treatment 0.482 0.00192 0.06 0.474 -7.34E-4 -0.02 0.0273 0.4257 3052536 PK04_100071 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D08 compound treatment 0.462 -0.0181 -0.57 0.472 -0.00273 -0.08 -0.4592 -0.7998 3052923 PK04_100072 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D09 compound treatment 0.482 0.00192 0.06 0.465 -0.00973 -0.29 -0.1612 -0.5471 3052690 PK04_100073 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D10 compound treatment 0.47 -0.0101 -0.32 0.463 -0.0117 -0.35 -0.4699 -0.9989 3052841 PK04_100074 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D11 mock treatment 0.477 -0.00308 -0.1 0.472 -0.00273 -0.08 -0.1257 -0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D12 mock treatment 0.476 -0.00408 -0.13 0.466 -0.00873 -0.26 -0.2737 -0.9475 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D13 compound treatment 0.468 -0.0121 -0.38 0.448 -0.0267 -0.79 -0.8287 -0.9433 3176624 PK04_100075 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D14 compound treatment 0.478 -0.00208 -0.07 0.474 -7.34E-4 -0.02 -0.0616 -0.8943 3176375 PK04_100076 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D15 mock treatment 0.464 -0.0161 -0.51 0.453 -0.0217 -0.64 -0.8129 -0.9928 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D16 mock treatment 0.482 0.00192 0.06 0.473 -0.00173 -0.05 0.0064 0.0806 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D17 compound treatment 0.458 -0.0221 -0.69 0.463 -0.0117 -0.35 -0.7367 -0.9489 3176503 PK04_100077 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D18 compound treatment 0.466 -0.0141 -0.44 0.471 -0.00373 -0.11 -0.3913 -0.8575 3052543 PK04_100078 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D19 compound treatment 0.456 -0.0241 -0.76 0.451 -0.0237 -0.7 -1.0326 -0.9993 3052538 PK04_100079 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D20 compound treatment 0.47 -0.0101 -0.32 0.467 -0.00773 -0.23 -0.3861 -0.9873 3052705 PK04_100080 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D21 compound treatment 0.462 -0.0181 -0.57 0.445 -0.0297 -0.88 -1.025 -0.9775 3052691 PK04_100081 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D22 compound treatment 0.449 -0.0311 -0.98 0.432 -0.0427 -1.27 -1.5864 -0.9918 3052534 PK04_100082 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D23 compound treatment 0.456 -0.0241 -0.76 0.469 -0.00573 -0.17 -0.6555 -0.8448 3176202 PK04_100083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 D24 compound treatment 0.479 -0.00108 -0.03 0.458 -0.0167 -0.5 -0.3746 -0.7537 3176197 PK04_100084 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E01 mock treatment 0.509 0.0289 0.91 0.506 0.0313 0.93 1.2981 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E02 mock treatment 0.479 -0.00108 -0.03 0.474 -7.34E-4 -0.02 -0.0394 -0.977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E03 compound treatment 0.454 -0.0261 -0.82 0.466 -0.00873 -0.26 -0.7628 -0.8872 3176672 PK04_100085 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E04 compound treatment 0.518 0.0379 1.19 0.523 0.0483 1.43 1.8544 0.9959 3052883 PK04_100086 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E05 compound treatment 0.473 -0.00708 -0.22 0.454 -0.0207 -0.61 -0.5918 -0.9057 3176126 PK04_100087 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E06 compound treatment 0.505 0.0249 0.78 0.483 0.00827 0.24 0.7273 0.8859 3052533 PK04_100088 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E07 compound treatment 0.487 0.00692 0.22 0.476 0.00127 0.04 0.1804 0.8169 3175839 PK04_100089 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E08 compound treatment 0.534 0.0539 1.7 0.507 0.0323 0.96 1.8749 0.9632 3052695 PK04_100090 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E09 mock treatment 0.482 0.00192 0.06 0.471 -0.00373 -0.11 -0.0355 -0.2817 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E10 mock treatment 0.479 -0.00108 -0.03 0.477 0.00227 0.07 0.0235 0.3125 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E11 compound treatment 0.484 0.00392 0.12 0.487 0.0123 0.36 0.3442 0.8968 3176568 PK04_100091 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E12 compound treatment 0.488 0.00792 0.25 0.457 -0.0177 -0.53 -0.1954 -0.3361 3176044 PK04_100092 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E13 compound treatment 0.479 -0.00108 -0.03 0.49 0.0153 0.45 0.2959 0.6523 3052753 PK04_100093 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E14 compound treatment 0.461 -0.0191 -0.6 0.462 -0.0127 -0.38 -0.691 -0.975 3175962 PK04_100094 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E15 compound treatment 0.495 0.0149 0.47 0.482 0.00727 0.22 0.484 0.9376 3176325 PK04_100095 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E16 compound treatment 0.484 0.00392 0.12 0.479 0.00427 0.13 0.1766 0.9999 3052542 PK04_100096 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E17 mock treatment 0.464 -0.0161 -0.51 0.484 0.00927 0.27 -0.1633 -0.2839 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E18 mock treatment 0.462 -0.0181 -0.57 0.456 -0.0187 -0.56 -0.7945 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E19 compound treatment 0.469 -0.0111 -0.35 0.478 0.00327 0.1 -0.1779 -0.492 3052746 PK04_100097 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E20 compound treatment 0.47 -0.0101 -0.32 0.456 -0.0187 -0.56 -0.6166 -0.9646 3176676 PK04_100098 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E21 compound treatment 0.47 -0.0101 -0.32 0.46 -0.0147 -0.44 -0.5328 -0.9876 3052756 PK04_100099 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E22 compound treatment 0.462 -0.0181 -0.57 0.454 -0.0207 -0.61 -0.8364 -0.9992 3176560 PK04_100100 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E23 compound treatment 0.463 -0.0171 -0.54 0.461 -0.0137 -0.41 -0.6675 -0.9906 3052487 PK04_100101 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 E24 compound treatment 0.492 0.0119 0.37 0.476 0.00127 0.04 0.2916 0.774 3176563 PK04_100102 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F01 mock treatment 0.485 0.00492 0.15 0.5 0.0253 0.75 0.6388 0.8356 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F02 mock treatment 0.489 0.00892 0.28 0.476 0.00127 0.04 0.2249 0.7946 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F03 compound treatment 0.493 0.0129 0.41 0.468 -0.00673 -0.2 0.1462 0.323 3176684 PK04_100103 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F04 compound treatment 0.481 9.22E-4 0.03 0.465 -0.00973 -0.29 -0.1835 -0.6329 3176121 PK04_100104 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F05 compound treatment 0.475 -0.00508 -0.16 0.463 -0.0117 -0.35 -0.3588 -0.9377 3176435 PK04_100105 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F06 compound treatment 0.485 0.00492 0.15 0.479 0.00427 0.13 0.1988 0.9949 3176627 PK04_100106 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F07 compound treatment 0.482 0.00192 0.06 0.464 -0.0107 -0.32 -0.1822 -0.5627 3176774 PK04_100107 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F08 compound treatment 0.495 0.0149 0.47 0.477 0.00227 0.07 0.3792 0.8001 3174822 PK04_100108 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F09 mock treatment 0.469 -0.0111 -0.35 0.469 -0.00573 -0.17 -0.3665 -0.9455 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F10 mock treatment 0.495 0.0149 0.47 0.476 0.00127 0.04 0.3583 0.7612 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F11 compound treatment 0.473 -0.00708 -0.22 0.477 0.00227 0.07 -0.1099 -0.4728 3176192 PK04_100109 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F12 compound treatment 0.492 0.0119 0.37 0.474 -7.34E-4 -0.02 0.2497 0.6649 3052594 PK04_100110 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F13 compound treatment 0.481 9.22E-4 0.03 0.475 2.66E-4 0.01 0.0261 0.8677 3052748 PK04_100111 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F14 compound treatment 0.489 0.00892 0.28 0.482 0.00727 0.22 0.3506 0.9915 3176567 PK04_100112 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F15 compound treatment 0.48 -7.81E-5 0.0 0.475 2.66E-4 0.01 0.0038 0.4643 3052759 PK04_100113 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F16 compound treatment 0.488 0.00792 0.25 0.49 0.0153 0.45 0.496 0.9605 3176780 PK04_100114 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F17 mock treatment 0.471 -0.00908 -0.29 0.477 0.00227 0.07 -0.1544 -0.5264 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F18 mock treatment 0.477 -0.00308 -0.1 0.482 0.00727 0.22 0.0838 0.355 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F19 compound treatment 0.469 -0.0111 -0.35 0.469 -0.00573 -0.17 -0.3665 -0.9455 3176625 PK04_100115 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F20 compound treatment 0.481 9.22E-4 0.03 0.466 -0.00873 -0.26 -0.1625 -0.624 3052750 PK04_100116 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F21 compound treatment 0.456 -0.0241 -0.76 0.459 -0.0157 -0.47 -0.865 -0.9729 3052889 PK04_100117 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F22 compound treatment 0.459 -0.0211 -0.66 0.436 -0.0387 -1.15 -1.2802 -0.9659 3052696 PK04_100118 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F23 compound treatment 0.474 -0.00608 -0.19 0.461 -0.0137 -0.41 -0.4229 -0.9406 3176674 PK04_100119 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 F24 compound treatment 0.503 0.0229 0.72 0.493 0.0183 0.54 0.8924 0.99 3176436 PK04_100120 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G01 compound treatment 0.485 0.00492 0.15 0.485 0.0103 0.3 0.3245 0.9509 3052845 PK04_100121 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G02 compound treatment 0.498 0.0179 0.56 0.532 0.0573 1.7 1.5983 0.8939 3052835 PK04_100122 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G03 mock treatment 0.468 -0.0121 -0.38 0.474 -7.34E-4 -0.02 -0.2839 -0.7464 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G04 mock treatment 0.479 -0.00108 -0.03 0.472 -0.00273 -0.08 -0.0813 -0.9252 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G05 compound treatment 0.478 -0.00208 -0.07 0.49 0.0153 0.45 0.2737 0.5987 3176502 PK04_100123 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G06 compound treatment 0.517 0.0369 1.16 0.507 0.0323 0.96 1.497 0.9954 3176265 PK04_100124 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G07 compound treatment 0.479 -0.00108 -0.03 0.499 0.0243 0.72 0.4845 0.673 3052742 PK04_100125 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G08 compound treatment 0.493 0.0129 0.41 0.499 0.0243 0.72 0.7957 0.9635 3052639 PK04_100126 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G09 compound treatment 0.488 0.00792 0.25 0.493 0.0183 0.54 0.5588 0.938 3176200 PK04_100127 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G10 compound treatment 0.458 -0.0221 -0.69 0.452 -0.0227 -0.67 -0.9672 -0.9999 3052650 PK04_100128 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G11 compound treatment 0.48 -7.81E-5 0.0 0.48 0.00527 0.16 0.1086 0.6959 3176683 PK04_100129 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G12 compound treatment 0.468 -0.0121 -0.38 0.473 -0.00173 -0.05 -0.3049 -0.7955 3176631 PK04_100130 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G13 compound treatment 0.514 0.0339 1.07 0.505 0.0303 0.9 1.3884 0.9963 3176045 PK04_100131 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G14 compound treatment 0.489 0.00892 0.28 0.491 0.0163 0.48 0.5392 0.9668 3176196 PK04_100132 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G15 compound treatment 0.511 0.0309 0.97 0.508 0.0333 0.99 1.3845 1.0 3176446 PK04_100133 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G16 compound treatment 0.489 0.00892 0.28 0.483 0.00827 0.24 0.3716 0.9977 3052834 PK04_100134 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G17 compound treatment 0.471 -0.00908 -0.29 0.475 2.66E-4 0.01 -0.1963 -0.6873 3052640 PK04_100135 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G18 compound treatment 0.469 -0.0111 -0.35 0.467 -0.00773 -0.23 -0.4084 -0.9794 3176727 PK04_100136 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G19 mock treatment 0.466 -0.0141 -0.44 0.478 0.00327 0.1 -0.2446 -0.5398 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G20 mock treatment 0.453 -0.0271 -0.85 0.463 -0.0117 -0.35 -0.8479 -0.922 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G21 compound treatment 0.471 -0.00908 -0.29 0.471 -0.00373 -0.11 -0.2801 -0.9149 3176272 PK04_100137 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G22 compound treatment 0.464 -0.0161 -0.51 0.48 0.00527 0.16 -0.2472 -0.4671 3176261 PK04_100138 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G23 compound treatment 0.48 -7.81E-5 0.0 0.46 -0.0147 -0.44 -0.3105 -0.7111 3176513 PK04_100139 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 G24 compound treatment 0.479 -0.00108 -0.03 0.476 0.00127 0.04 0.0025 0.0504 3052924 PK04_100140 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H01 compound treatment 0.496 0.0159 0.5 0.497 0.0223 0.66 0.8205 0.9907 3176557 PK04_100141 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H02 compound treatment 0.492 0.0119 0.37 0.496 0.0213 0.63 0.7106 0.9692 3052875 PK04_100142 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H03 mock treatment 0.466 -0.0141 -0.44 0.461 -0.0137 -0.41 -0.6008 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H04 mock treatment 0.469 -0.0111 -0.35 0.495 0.0203 0.6 0.1783 0.2568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H05 compound treatment 0.476 -0.00408 -0.13 0.467 -0.00773 -0.23 -0.2527 -0.9623 3052652 PK04_100143 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H06 compound treatment 0.481 9.22E-4 0.03 0.493 0.0183 0.54 0.4032 0.7439 3052786 PK04_100144 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H07 compound treatment 0.489 0.00892 0.28 0.508 0.0333 0.99 0.8954 0.8737 3176328 PK04_100145 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H08 compound treatment 0.488 0.00792 0.25 0.482 0.00727 0.22 0.3284 0.9974 3176321 PK04_100146 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H09 compound treatment 0.485 0.00492 0.15 0.481 0.00627 0.19 0.2407 0.9959 3176735 PK04_100147 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H10 compound treatment 0.488 0.00792 0.25 0.48 0.00527 0.16 0.2865 0.9746 3175969 PK04_100148 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H11 compound treatment 0.471 -0.00908 -0.29 0.465 -0.00973 -0.29 -0.4058 -1.0 3176193 PK04_100149 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H12 compound treatment 0.49 0.00992 0.31 0.487 0.0123 0.36 0.4776 0.9971 3176050 PK04_100150 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H13 compound treatment 0.5 0.0199 0.63 0.482 0.00727 0.22 0.5952 0.8985 3176569 PK04_100151 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H14 compound treatment 0.495 0.0149 0.47 0.491 0.0163 0.48 0.6726 0.9999 3052874 PK04_100152 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H15 compound treatment 0.476 -0.00408 -0.13 0.474 -7.34E-4 -0.02 -0.1061 -0.8154 3052832 PK04_100153 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H16 compound treatment 0.493 0.0129 0.41 0.481 0.00627 0.19 0.4186 0.937 3176267 PK04_100154 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H17 compound treatment 0.485 0.00492 0.15 0.469 -0.00573 -0.17 -0.0107 -0.0466 3176378 PK04_100155 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H18 compound treatment 0.481 9.22E-4 0.03 0.479 0.00427 0.13 0.1099 0.8473 3176322 PK04_100156 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H19 mock treatment 0.475 -0.00508 -0.16 0.464 -0.0107 -0.32 -0.3378 -0.9492 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H20 mock treatment 0.475 -0.00508 -0.16 0.47 -0.00473 -0.14 -0.2121 -0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H21 compound treatment 0.47 -0.0101 -0.32 0.471 -0.00373 -0.11 -0.3023 -0.9007 3052801 PK04_100157 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H22 compound treatment 0.535 0.0549 1.73 0.509 0.0343 1.02 1.9391 0.9679 3176726 PK04_100158 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H23 compound treatment 0.47 -0.0101 -0.32 0.468 -0.00673 -0.2 -0.3652 -0.9751 3176558 PK04_100159 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 H24 compound treatment 0.501 0.0209 0.66 0.506 0.0313 0.93 1.1203 0.9859 3052704 PK04_100160 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I01 compound treatment 0.496 0.0159 0.5 0.493 0.0183 0.54 0.7367 0.9992 3052648 PK04_100161 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I02 compound treatment 0.525 0.0449 1.41 0.51 0.0353 1.04 1.7377 0.989 3176506 PK04_100162 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I03 compound treatment 0.48 -7.81E-5 0.0 0.464 -0.0107 -0.32 -0.2267 -0.7125 3176274 PK04_100163 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I04 compound treatment 0.499 0.0189 0.59 0.487 0.0123 0.36 0.6777 0.972 3176679 PK04_100164 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I05 mock treatment 0.485 0.00492 0.15 0.468 -0.00673 -0.2 -0.0317 -0.1254 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I06 mock treatment 0.478 -0.00208 -0.07 0.465 -0.00973 -0.29 -0.2502 -0.8459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I07 compound treatment 0.477 -0.00308 -0.1 0.481 0.00627 0.19 0.0628 0.3001 3052930 PK04_100165 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I08 compound treatment 0.498 0.0179 0.56 0.49 0.0153 0.45 0.7183 0.9941 3176444 PK04_100166 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I09 compound treatment 0.498 0.0179 0.56 0.481 0.00627 0.19 0.5298 0.8929 3052697 PK04_100167 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I10 compound treatment 0.458 -0.0221 -0.69 0.452 -0.0227 -0.67 -0.9672 -0.9999 3176731 PK04_100168 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I11 compound treatment 0.484 0.00392 0.12 0.483 0.00827 0.24 0.2604 0.9496 3052535 PK04_100169 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I12 compound treatment 0.469 -0.0111 -0.35 0.457 -0.0177 -0.53 -0.6179 -0.9801 3176198 PK04_100170 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I13 compound treatment 0.486 0.00592 0.19 0.485 0.0103 0.3 0.3468 0.9723 3176119 PK04_100171 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I14 compound treatment 0.484 0.00392 0.12 0.469 -0.00573 -0.17 -0.033 -0.157 3176442 PK04_100172 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I15 compound treatment 0.475 -0.00508 -0.16 0.477 0.00227 0.07 -0.0654 -0.3778 3176566 PK04_100173 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I16 compound treatment 0.473 -0.00708 -0.22 0.47 -0.00473 -0.14 -0.2566 -0.9752 3052844 PK04_100174 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I17 compound treatment 0.48 -7.81E-5 0.0 0.486 0.0113 0.33 0.2343 0.7019 3176781 PK04_100175 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I18 compound treatment 0.481 9.22E-4 0.03 0.476 0.00127 0.04 0.047 0.9919 3052891 PK04_100176 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I19 compound treatment 0.455 -0.0251 -0.79 0.469 -0.00573 -0.17 -0.6777 -0.8402 3052840 PK04_100177 OC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I20 compound treatment 0.457 -0.0231 -0.73 0.457 -0.0177 -0.53 -0.8847 -0.9874 3174821 PK04_100178 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I21 mock treatment 0.486 0.00592 0.19 0.456 -0.0187 -0.56 -0.2609 -0.4455 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I22 mock treatment 0.468 -0.0121 -0.38 0.457 -0.0177 -0.53 -0.6401 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I23 compound treatment 0.468 -0.0121 -0.38 0.465 -0.00973 -0.29 -0.4725 -0.9908 3176670 PK04_100179 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 I24 compound treatment 0.481 9.22E-4 0.03 0.472 -0.00273 -0.08 -0.0368 -0.4276 3176728 PK04_100180 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J01 compound treatment 0.481 9.22E-4 0.03 0.49 0.0153 0.45 0.3404 0.7509 3176783 PK04_100181 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J02 compound treatment 0.471 -0.00908 -0.29 0.48 0.00527 0.16 -0.0915 -0.2813 3176448 PK04_100182 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J03 compound treatment 0.461 -0.0191 -0.6 0.457 -0.0177 -0.53 -0.7958 -0.9978 3176047 PK04_100183 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J04 compound treatment 0.477 -0.00308 -0.1 0.473 -0.00173 -0.05 -0.1048 -0.9561 3176269 PK04_100184 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J05 mock treatment 0.472 -0.00808 -0.25 0.463 -0.0117 -0.35 -0.4255 -0.9881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J06 mock treatment 0.472 -0.00808 -0.25 0.468 -0.00673 -0.2 -0.3207 -0.9929 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J07 compound treatment 0.476 -0.00408 -0.13 0.468 -0.00673 -0.2 -0.2318 -0.9771 3176635 PK04_100185 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J08 compound treatment 0.49 0.00992 0.31 0.475 2.66E-4 0.01 0.2262 0.7247 3176114 PK04_100186 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J09 compound treatment 0.497 0.0169 0.53 0.495 0.0203 0.6 0.8009 0.9982 3175966 PK04_100187 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J10 compound treatment 0.478 -0.00208 -0.07 0.457 -0.0177 -0.53 -0.4178 -0.789 3052757 PK04_100188 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J11 compound treatment 0.478 -0.00208 -0.07 0.482 0.00727 0.22 0.106 0.4713 3174819 PK04_100189 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J12 compound treatment 0.482 0.00192 0.06 0.475 2.66E-4 0.01 0.0483 0.7925 3176738 PK04_100190 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J13 compound treatment 0.461 -0.0191 -0.6 0.468 -0.00673 -0.2 -0.5653 -0.8942 3176380 PK04_100191 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J14 compound treatment 0.496 0.0159 0.5 0.464 -0.0107 -0.32 0.1291 0.2176 3176199 PK04_100192 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J15 compound treatment 0.492 0.0119 0.37 0.477 0.00227 0.07 0.3125 0.8207 3176623 PK04_100193 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J16 compound treatment 0.488 0.00792 0.25 0.469 -0.00573 -0.17 0.056 0.1857 3176632 PK04_100194 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J17 compound treatment 0.488 0.00792 0.25 0.463 -0.0117 -0.35 -0.0697 -0.163 3052795 PK04_100195 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J18 compound treatment 0.492 0.0119 0.37 0.482 0.00727 0.22 0.4173 0.9653 3052636 PK04_100196 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J19 compound treatment 0.499 0.0189 0.59 0.461 -0.0137 -0.41 0.1329 0.1844 3052591 PK04_100197 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J20 compound treatment 0.505 0.0249 0.78 0.469 -0.00573 -0.17 0.434 0.5412 3176629 PK04_100198 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J21 mock treatment 0.467 -0.0131 -0.41 0.464 -0.0107 -0.32 -0.5157 -0.9919 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J22 mock treatment 0.476 -0.00408 -0.13 0.46 -0.0147 -0.44 -0.3994 -0.8777 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J23 compound treatment 0.482 0.00192 0.06 0.451 -0.0237 -0.7 -0.4546 -0.644 3176776 PK04_100199 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 J24 compound treatment 0.509 0.0289 0.91 0.488 0.0133 0.39 0.921 0.9296 3052544 PK04_100200 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K01 compound treatment 0.499 0.0189 0.59 0.512 0.0373 1.1 1.2015 0.9579 3176739 PK04_100201 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K02 compound treatment 0.503 0.0229 0.72 0.528 0.0533 1.58 1.6257 0.9369 3176042 PK04_100202 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K03 compound treatment 0.479 -0.00108 -0.03 0.475 2.66E-4 0.01 -0.0184 -0.5289 3052528 PK04_100203 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K04 compound treatment 0.505 0.0249 0.78 0.504 0.0293 0.87 1.1673 0.9987 3176564 PK04_100204 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K05 compound treatment 0.469 -0.0111 -0.35 0.471 -0.00373 -0.11 -0.3246 -0.888 3176329 PK04_100205 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K06 compound treatment 0.546 0.0659 2.07 0.526 0.0513 1.52 2.5399 0.9883 3052588 PK04_100206 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K07 mock treatment 0.473 -0.00708 -0.22 0.478 0.00327 0.1 -0.089 -0.3665 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K08 mock treatment 0.475 -0.00508 -0.16 0.466 -0.00873 -0.26 -0.2959 -0.9731 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K09 compound treatment 0.487 0.00692 0.22 0.475 2.66E-4 0.01 0.1595 0.7322 3176733 PK04_100207 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K10 compound treatment 0.458 -0.0221 -0.69 0.459 -0.0157 -0.47 -0.8206 -0.9812 3052589 PK04_100208 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K11 compound treatment 0.486 0.00592 0.19 0.478 0.00327 0.1 0.2001 0.9535 3052651 PK04_100209 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K12 compound treatment 0.475 -0.00508 -0.16 0.532 0.0573 1.7 1.087 0.6378 3176507 PK04_100210 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K13 compound treatment 0.487 0.00692 0.22 0.485 0.0103 0.3 0.369 0.9865 3052706 PK04_100211 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K14 compound treatment 0.503 0.0229 0.72 0.488 0.0133 0.39 0.7876 0.9593 3175959 PK04_100212 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K15 mock treatment 0.479 -0.00108 -0.03 0.471 -0.00373 -0.11 -0.1022 -0.8832 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K16 mock treatment 0.491 0.0109 0.34 0.473 -0.00173 -0.05 0.2065 0.5947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K17 compound treatment 0.478 -0.00208 -0.07 0.473 -0.00173 -0.05 -0.0825 -0.9929 3174817 PK04_100213 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K18 compound treatment 0.489 0.00892 0.28 0.475 2.66E-4 0.01 0.2039 0.7267 3176725 PK04_100214 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K19 compound treatment 0.479 -0.00108 -0.03 0.467 -0.00773 -0.23 -0.186 -0.803 3052537 PK04_100215 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K20 compound treatment 0.466 -0.0141 -0.44 0.463 -0.0117 -0.35 -0.5589 -0.9929 3052596 PK04_100216 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K21 compound treatment 0.478 -0.00208 -0.07 0.473 -0.00173 -0.05 -0.0825 -0.9929 3176049 PK04_100217 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K22 compound treatment 0.483 0.00292 0.09 0.465 -0.00973 -0.29 -0.139 -0.4592 3052637 PK04_100218 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K23 mock treatment 0.485 0.00492 0.15 0.463 -0.0117 -0.35 -0.1364 -0.3585 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 K24 mock treatment 0.477 -0.00308 -0.1 0.489 0.0143 0.42 0.2305 0.5315 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L01 compound treatment 0.487 0.00692 0.22 0.489 0.0143 0.42 0.4528 0.9524 3052595 PK04_100219 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L02 compound treatment 0.485 0.00492 0.15 0.487 0.0123 0.36 0.3664 0.9276 3176046 PK04_100220 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L03 compound treatment 0.464 -0.0161 -0.51 0.457 -0.0177 -0.53 -0.7291 -0.9998 3052585 PK04_100221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L04 compound treatment 0.488 0.00792 0.25 0.482 0.00727 0.22 0.3284 0.9974 3176734 PK04_100222 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L05 compound treatment 0.489 0.00892 0.28 0.478 0.00327 0.1 0.2668 0.899 3176688 PK04_100223 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L06 compound treatment 0.488 0.00792 0.25 0.472 -0.00273 -0.08 0.1188 0.4537 3176372 PK04_100224 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L07 mock treatment 0.483 0.00292 0.09 0.463 -0.0117 -0.35 -0.1809 -0.503 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L08 mock treatment 0.474 -0.00608 -0.19 0.471 -0.00373 -0.11 -0.2134 -0.9662 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L09 compound treatment 0.507 0.0269 0.85 0.494 0.0193 0.57 1.0022 0.9816 3176559 PK04_100225 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L10 compound treatment 0.472 -0.00808 -0.25 0.482 0.00727 0.22 -0.0274 -0.0822 3052527 PK04_100226 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L11 compound treatment 0.484 0.00392 0.12 0.483 0.00827 0.24 0.2604 0.9496 3176432 PK04_100227 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L12 compound treatment 0.497 0.0169 0.53 0.497 0.0223 0.66 0.8428 0.9943 3176326 PK04_100228 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L13 compound treatment 0.488 0.00792 0.25 0.464 -0.0107 -0.32 -0.0488 -0.1207 3176737 PK04_100229 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L14 compound treatment 0.481 9.22E-4 0.03 0.476 0.00127 0.04 0.047 0.9919 3175964 PK04_100230 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L15 mock treatment 0.484 0.00392 0.12 0.486 0.0113 0.33 0.3232 0.9083 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L16 mock treatment 0.489 0.00892 0.28 0.475 2.66E-4 0.01 0.2039 0.7267 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L17 compound treatment 0.491 0.0109 0.34 0.47 -0.00473 -0.14 0.1436 0.3872 3176787 PK04_100231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L18 compound treatment 0.481 9.22E-4 0.03 0.463 -0.0117 -0.35 -0.2254 -0.6459 3175960 PK04_100232 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L19 compound treatment 0.48 -7.81E-5 0.0 0.466 -0.00873 -0.26 -0.1847 -0.7138 3176273 PK04_100233 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L20 compound treatment 0.474 -0.00608 -0.19 0.476 0.00127 0.04 -0.1086 -0.5577 3052882 PK04_100234 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L21 compound treatment 0.468 -0.0121 -0.38 0.457 -0.0177 -0.53 -0.6401 -0.9873 3176053 PK04_100235 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L22 compound treatment 0.449 -0.0311 -0.98 0.448 -0.0267 -0.79 -1.2511 -0.9946 3052696 PK04_100236 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L23 mock treatment 0.462 -0.0181 -0.57 0.476 0.00127 0.04 -0.3754 -0.659 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 L24 mock treatment 0.493 0.0129 0.41 0.501 0.0263 0.78 0.8376 0.9541 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M01 compound treatment 0.502 0.0219 0.69 0.5 0.0253 0.75 1.0168 0.9991 3176052 PK04_100237 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M02 compound treatment 0.529 0.0489 1.54 0.523 0.0483 1.43 2.099 0.9993 3176323 PK04_100238 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M03 compound treatment 0.473 -0.00708 -0.22 0.485 0.0103 0.3 0.0577 0.1531 3176206 PK04_100239 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M04 compound treatment 0.52 0.0399 1.26 0.537 0.0623 1.85 2.1923 0.9824 3052883 PK04_100240 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M05 compound treatment 0.484 0.00392 0.12 0.478 0.00327 0.1 0.1556 0.9928 3052744 PK04_100241 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M06 compound treatment 0.518 0.0379 1.19 0.502 0.0273 0.81 1.4144 0.982 3176505 PK04_100242 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M07 compound treatment 0.501 0.0209 0.66 0.479 0.00427 0.13 0.5546 0.8278 3176434 PK04_100243 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M08 compound treatment 0.534 0.0539 1.7 0.552 0.0773 2.29 2.8178 0.9891 3176729 PK04_100244 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M09 mock treatment 0.489 0.00892 0.28 0.471 -0.00373 -0.11 0.1201 0.3983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M10 mock treatment 0.48 -7.81E-5 0.0 0.469 -0.00573 -0.17 -0.1219 -0.7173 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M11 compound treatment 0.498 0.0179 0.56 0.485 0.0103 0.3 0.6136 0.9581 3052590 PK04_100245 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M12 compound treatment 0.457 -0.0231 -0.73 0.444 -0.0307 -0.91 -1.1571 -0.9937 3176565 PK04_100246 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M13 mock treatment 0.483 0.00292 0.09 0.477 0.00227 0.07 0.1124 0.9881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M14 mock treatment 0.481 9.22E-4 0.03 0.487 0.0123 0.36 0.2775 0.7611 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M15 compound treatment 0.516 0.0359 1.13 0.492 0.0173 0.51 1.1604 0.9359 3176508 PK04_100247 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M16 compound treatment 0.502 0.0219 0.69 0.497 0.0223 0.66 0.9539 0.9998 3052587 PK04_100248 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M17 compound treatment 0.488 0.00792 0.25 0.473 -0.00173 -0.05 0.1398 0.5496 3052643 PK04_100249 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M18 compound treatment 0.489 0.00892 0.28 0.48 0.00527 0.16 0.3087 0.9617 3176777 PK04_100250 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M19 compound treatment 0.497 0.0169 0.53 0.476 0.00127 0.04 0.4028 0.7551 3052583 PK04_100251 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M20 compound treatment 0.475 -0.00508 -0.16 0.476 0.00127 0.04 -0.0864 -0.5267 3052586 PK04_100252 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M21 compound treatment 0.472 -0.00808 -0.25 0.468 -0.00673 -0.2 -0.3207 -0.9929 3052593 PK04_100253 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M22 compound treatment 0.481 9.22E-4 0.03 0.471 -0.00373 -0.11 -0.0577 -0.5048 3176374 PK04_100254 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M23 compound treatment 0.491 0.0109 0.34 0.477 0.00227 0.07 0.2903 0.8296 3052699 PK04_100255 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 M24 compound treatment 0.494 0.0139 0.44 0.491 0.0163 0.48 0.6503 0.9988 3176628 PK04_100256 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N01 compound treatment 0.496 0.0159 0.5 0.514 0.0393 1.16 1.1767 0.929 3052530 PK04_100257 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N02 compound treatment 0.471 -0.00908 -0.29 0.46 -0.0147 -0.44 -0.5106 -0.9788 3176510 PK04_100258 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N03 compound treatment 0.487 0.00692 0.22 0.487 0.0123 0.36 0.4109 0.9699 3052646 PK04_100259 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N04 compound treatment 0.484 0.00392 0.12 0.466 -0.00873 -0.26 -0.0958 -0.3342 3176040 PK04_100260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N05 compound treatment 0.483 0.00292 0.09 0.478 0.00327 0.1 0.1334 0.9997 3052838 PK04_100261 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N06 compound treatment 0.479 -0.00108 -0.03 0.471 -0.00373 -0.11 -0.1022 -0.8832 3176263 PK04_100262 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N07 compound treatment 0.493 0.0129 0.41 0.48 0.00527 0.16 0.3976 0.9136 3176511 PK04_100263 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N08 compound treatment 0.458 -0.0221 -0.69 0.476 0.00127 0.04 -0.4644 -0.6679 3052644 PK04_100264 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N09 mock treatment 0.471 -0.00908 -0.29 0.466 -0.00873 -0.26 -0.3849 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N10 mock treatment 0.488 0.00792 0.25 0.486 0.0113 0.33 0.4122 0.9896 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N11 compound treatment 0.486 0.00592 0.19 0.474 -7.34E-4 -0.02 0.1163 0.6202 3052880 PK04_100265 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N12 compound treatment 0.503 0.0229 0.72 0.49 0.0153 0.45 0.8295 0.9748 3176732 PK04_100266 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N13 mock treatment 0.479 -0.00108 -0.03 0.477 0.00227 0.07 0.0235 0.3125 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N14 mock treatment 0.481 9.22E-4 0.03 0.468 -0.00673 -0.2 -0.1206 -0.5981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N15 compound treatment 0.477 -0.00308 -0.1 0.481 0.00627 0.19 0.0628 0.3001 3052703 PK04_100267 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N16 compound treatment 0.482 0.00192 0.06 0.478 0.00327 0.1 0.1112 0.9743 3176120 PK04_100268 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N17 compound treatment 0.479 -0.00108 -0.03 0.46 -0.0147 -0.44 -0.3327 -0.7597 3052843 PK04_100269 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N18 compound treatment 0.491 0.0109 0.34 0.485 0.0103 0.3 0.4579 0.9982 3176116 PK04_100270 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N19 compound treatment 0.484 0.00392 0.12 0.47 -0.00473 -0.14 -0.012 -0.0642 3176319 PK04_100271 NCCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N20 compound treatment 0.487 0.00692 0.22 0.48 0.00527 0.16 0.2642 0.9867 3052797 PK04_100272 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N21 compound treatment 0.468 -0.0121 -0.38 0.474 -7.34E-4 -0.02 -0.2839 -0.7464 3052581 PK04_100273 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N22 compound treatment 0.461 -0.0191 -0.6 0.452 -0.0227 -0.67 -0.9005 -0.9983 3176118 PK04_100274 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N23 compound treatment 0.475 -0.00508 -0.16 0.468 -0.00673 -0.2 -0.254 -0.9939 3176207 PK04_100275 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 N24 compound treatment 0.498 0.0179 0.56 0.488 0.0133 0.39 0.6764 0.9845 3176266 PK04_100276 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O01 compound treatment 0.512 0.0319 1.0 0.524 0.0493 1.46 1.742 0.9833 3176687 PK04_100277 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O02 compound treatment 0.568 0.0879 2.76 0.627 0.152 4.51 5.1452 0.9724 3176323 PK04_100278 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O03 compound treatment 0.478 -0.00208 -0.07 0.479 0.00427 0.13 0.0432 0.3034 3176438 PK04_100279 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O04 compound treatment 0.494 0.0139 0.44 0.514 0.0393 1.16 1.1323 0.9108 3176117 PK04_100280 C[N+](C)(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O05 compound treatment 0.489 0.00892 0.28 0.483 0.00827 0.24 0.3716 0.9977 3176384 PK04_100281 NCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O06 compound treatment 0.564 0.0839 2.64 0.557 0.0823 2.44 3.5896 0.9992 3052695 PK04_100282 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O07 compound treatment 0.514 0.0339 1.07 0.482 0.00727 0.22 0.9065 0.833 3052929 PK04_100283 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O08 compound treatment 0.556 0.0759 2.39 0.555 0.0803 2.38 3.3698 1.0 3052798 PK04_100284 C[N+](C)(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O09 compound treatment 0.517 0.0369 1.16 0.506 0.0313 0.93 1.476 0.9937 3176509 PK04_100285 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O10 compound treatment 0.485 0.00492 0.15 0.471 -0.00373 -0.11 0.0312 0.1639 3176681 PK04_100286 C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O11 mock treatment 0.514 0.0339 1.07 0.504 0.0293 0.87 1.3674 0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O12 mock treatment 0.508 0.0279 0.88 0.479 0.00427 0.13 0.7102 0.8007 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O13 compound treatment 0.494 0.0139 0.44 0.497 0.0223 0.66 0.7761 0.9801 3176682 PK04_100287 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O14 compound treatment 0.494 0.0139 0.44 0.493 0.0183 0.54 0.6923 0.9945 3176320 PK04_100288 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O15 compound treatment 0.514 0.0339 1.07 0.508 0.0333 0.99 1.4512 0.9992 3176268 PK04_100289 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O16 compound treatment 0.499 0.0189 0.59 0.499 0.0243 0.72 0.9291 0.9956 3176373 PK04_100290 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O17 compound treatment 0.499 0.0189 0.59 0.501 0.0263 0.78 0.971 0.9912 3052700 PK04_100291 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O18 compound treatment 0.499 0.0189 0.59 0.495 0.0203 0.6 0.8453 1.0 3176275 PK04_100292 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O19 compound treatment 0.491 0.0109 0.34 0.496 0.0213 0.63 0.6884 0.9593 3052887 PK04_100293 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O20 compound treatment 0.493 0.0129 0.41 0.496 0.0213 0.63 0.7329 0.9775 3176039 PK04_100294 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O21 compound treatment 0.497 0.0169 0.53 0.49 0.0153 0.45 0.6961 0.9967 3176637 PK04_100295 OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O22 compound treatment 0.509 0.0289 0.91 0.503 0.0283 0.84 1.2353 0.9992 3176115 PK04_100296 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O23 compound treatment 0.526 0.0459 1.44 0.509 0.0343 1.02 1.739 0.9852 3052755 PK04_100297 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 O24 compound treatment 0.531 0.0509 1.6 0.507 0.0323 0.96 1.8082 0.9696 3176443 PK04_100298 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P01 compound treatment 0.53 0.0499 1.57 0.524 0.0493 1.46 2.1422 0.9993 3052698 PK04_100299 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P02 compound treatment 0.52 0.0399 1.26 0.524 0.0493 1.46 1.9199 0.9972 3176634 PK04_100300 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccc(I)cc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P03 compound treatment 0.488 0.00792 0.25 0.517 0.0423 1.25 1.0617 0.8315 3174820 PK04_100301 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P04 compound treatment 0.539 0.0589 1.85 0.535 0.0603 1.79 2.5728 0.9998 3052597 PK04_100302 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P05 compound treatment 0.512 0.0319 1.0 0.518 0.0433 1.28 1.6163 0.9927 3176270 PK04_100303 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P06 compound treatment 0.498 0.0179 0.56 0.503 0.0283 0.84 0.9907 0.9814 3176677 PK04_100304 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P07 compound treatment 0.5 0.0199 0.63 0.507 0.0323 0.96 1.119 0.979 3176122 PK04_100305 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@@H]6N7[C@H]([C@H](C(=O)OCC=C)[C@@]68C(=O)Nc9ccccc98)C(=O)O[C@H]([C@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P08 compound treatment 0.516 0.0359 1.13 0.508 0.0333 0.99 1.4957 0.9977 3052701 PK04_100306 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P09 compound treatment 0.515 0.0349 1.1 0.5 0.0253 0.75 1.3058 0.9826 3175972 PK04_100307 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P10 compound treatment 0.512 0.0319 1.0 0.51 0.0353 1.04 1.4487 0.9998 3052830 PK04_100308 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P11 mock treatment 0.512 0.0319 1.0 0.487 0.0123 0.36 0.9667 0.9056 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P12 mock treatment 0.517 0.0369 1.16 0.534 0.0593 1.76 2.0627 0.9798 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P13 compound treatment 0.546 0.0659 2.07 0.529 0.0543 1.61 2.6027 0.9921 3052541 PK04_100309 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P14 compound treatment 0.522 0.0419 1.32 0.513 0.0383 1.13 1.7339 0.9972 3052545 PK04_100310 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P15 compound treatment 0.514 0.0339 1.07 0.514 0.0393 1.16 1.5769 0.9991 3176381 PK04_100311 CN(C)CCCCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P16 compound treatment 0.523 0.0429 1.35 0.53 0.0553 1.64 2.1123 0.9954 3052789 PK04_100312 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P17 compound treatment 0.537 0.0569 1.79 0.512 0.0373 1.1 2.0464 0.9731 3052890 PK04_100313 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P18 compound treatment 0.523 0.0429 1.35 0.53 0.0553 1.64 2.1123 0.9954 3176779 PK04_100314 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P19 compound treatment 0.518 0.0379 1.19 0.509 0.0343 1.02 1.5611 0.9968 3052876 PK04_100315 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P20 compound treatment 0.526 0.0459 1.44 0.528 0.0533 1.58 2.1371 0.999 3176264 PK04_100316 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCCCCCNC(=O)CS 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P21 compound treatment 0.526 0.0459 1.44 0.516 0.0413 1.22 1.8856 0.9966 3052692 PK04_100317 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P22 compound treatment 0.657 0.177 5.56 0.659 0.184 5.46 7.7945 1.0 3176051 PK04_100318 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P23 compound treatment 0.524 0.0439 1.38 0.514 0.0393 1.16 1.7993 0.9964 3052754 PK04_100319 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2100 P24 compound treatment 0.709 0.229 7.2 0.678 0.203 6.02 9.3488 0.9961 3176127 PK04_100320 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A01 compound treatment 0.499 0.0224 0.71 0.487 0.016 0.47 0.8328 0.9811 3189007 PK04_101001 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A02 compound treatment 0.483 0.00642 0.2 0.478 0.00695 0.21 0.2885 0.9999 3069619 PK04_101002 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A03 compound treatment 0.584 0.107 3.38 0.472 9.53E-4 0.03 2.4084 0.713 3189008 PK04_101003 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A04 compound treatment 0.461 -0.0156 -0.49 0.473 0.00195 0.06 -0.3054 -0.6193 3189009 PK04_101004 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A05 compound treatment 0.481 0.00442 0.14 0.48 0.00895 0.27 0.2859 0.9545 3069620 PK04_101005 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A06 compound treatment 0.472 -0.00458 -0.14 0.47 -0.00105 -0.03 -0.1237 -0.8402 3189010 PK04_101006 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A07 compound treatment 0.47 -0.00658 -0.21 0.472 9.53E-4 0.03 -0.1263 -0.6049 3189011 PK04_101007 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A08 compound treatment 0.474 -0.00258 -0.08 0.485 0.014 0.41 0.235 0.5578 3069621 PK04_101008 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A09 compound treatment 0.49 0.0134 0.42 0.484 0.013 0.38 0.5698 0.9989 3189120 PK04_101009 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A10 compound treatment 0.48 0.00342 0.11 0.477 0.00595 0.18 0.2008 0.9719 3069622 PK04_101010 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A11 compound treatment 0.486 0.00942 0.3 0.482 0.011 0.32 0.439 0.999 3189121 PK04_101011 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A12 compound treatment 0.492 0.0154 0.48 0.49 0.019 0.56 0.74 0.9973 3069678 PK04_101012 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A13 mock treatment 0.481 0.00442 0.14 0.493 0.022 0.65 0.5583 0.8393 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A14 mock treatment 0.488 0.0114 0.36 0.476 0.00495 0.15 0.3577 0.9221 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A15 compound treatment 0.476 -5.78E-4 -0.02 0.482 0.011 0.32 0.2166 0.6665 3189122 PK04_101013 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A16 compound treatment 0.475 -0.00158 -0.05 0.472 9.53E-4 0.03 -0.0151 -0.2648 3069679 PK04_101014 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A17 compound treatment 0.475 -0.00158 -0.05 0.473 0.00195 0.06 0.0058 0.0765 3189123 PK04_101015 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A18 compound treatment 0.463 -0.0136 -0.43 0.467 -0.00405 -0.12 -0.3867 -0.872 3189124 PK04_101016 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A19 compound treatment 0.486 0.00942 0.3 0.469 -0.00205 -0.06 0.1666 0.5509 3069680 PK04_101017 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A20 compound treatment 0.465 -0.0116 -0.36 0.47 -0.00105 -0.03 -0.2794 -0.7646 3189125 PK04_101018 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A21 compound treatment 0.478 0.00142 0.04 0.468 -0.00305 -0.09 -0.0322 -0.3199 3069681 PK04_101019 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A22 compound treatment 0.476 -5.78E-4 -0.02 0.457 -0.014 -0.42 -0.3072 -0.7373 3189126 PK04_101020 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A23 compound treatment 0.461 -0.0156 -0.49 0.455 -0.016 -0.48 -0.6826 -0.9999 3189127 PK04_101021 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 A24 compound treatment 0.457 -0.0196 -0.62 0.47 -0.00105 -0.03 -0.4572 -0.7418 3069682 PK04_101022 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B01 compound treatment 0.491 0.0144 0.45 0.474 0.00295 0.09 0.3825 0.8283 3189128 PK04_101023 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B02 compound treatment 0.48 0.00342 0.11 0.487 0.016 0.47 0.4103 0.8464 3189129 PK04_101024 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B03 compound treatment 0.459 -0.0176 -0.55 0.455 -0.016 -0.48 -0.7271 -0.9972 3069683 PK04_101025 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B04 compound treatment 0.472 -0.00458 -0.14 0.482 0.011 0.32 0.1277 0.3597 3189130 PK04_101026 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B05 compound treatment 0.455 -0.0216 -0.68 0.464 -0.00705 -0.21 -0.6274 -0.8838 3069684 PK04_101027 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B06 compound treatment 0.477 4.22E-4 0.01 0.479 0.00795 0.24 0.176 0.7457 3189131 PK04_101028 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B07 compound treatment 0.444 -0.0326 -1.02 0.462 -0.00905 -0.27 -0.9139 -0.8631 3189132 PK04_101029 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B08 compound treatment 0.489 0.0124 0.39 0.499 0.028 0.83 0.8619 0.9412 3069685 PK04_101030 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B09 compound treatment 0.465 -0.0116 -0.36 0.468 -0.00305 -0.09 -0.3213 -0.8565 3189133 PK04_101031 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B10 compound treatment 0.485 0.00842 0.26 0.491 0.02 0.59 0.6053 0.9344 3189129 PK04_101032 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B11 compound treatment 0.471 -0.00558 -0.18 0.476 0.00495 0.15 -0.0202 -0.0885 3189134 PK04_101033 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B12 compound treatment 0.499 0.0224 0.71 0.491 0.02 0.59 0.9166 0.9962 3069686 PK04_101034 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B13 mock treatment 0.462 -0.0146 -0.46 0.472 9.53E-4 0.03 -0.3042 -0.6623 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B14 mock treatment 0.461 -0.0156 -0.49 0.488 0.017 0.5 0.0089 0.0126 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B15 compound treatment 0.462 -0.0146 -0.46 0.468 -0.00305 -0.09 -0.388 -0.8304 3189135 PK04_101035 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B16 compound treatment 0.489 0.0124 0.39 0.493 0.022 0.65 0.7362 0.9702 3069686 PK04_101036 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B17 compound treatment 0.466 -0.0106 -0.33 0.465 -0.00605 -0.18 -0.3619 -0.9579 3189136 PK04_101037 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B18 compound treatment 0.473 -0.00358 -0.11 0.485 0.014 0.41 0.2128 0.4966 3069687 PK04_101038 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B19 compound treatment 0.446 -0.0306 -0.96 0.451 -0.02 -0.59 -1.0999 -0.9732 3189137 PK04_101039 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B20 compound treatment 0.462 -0.0146 -0.46 0.471 -4.69E-5 0.0 -0.3251 -0.7092 3069688 PK04_101040 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B21 compound treatment 0.462 -0.0146 -0.46 0.469 -0.00205 -0.06 -0.367 -0.7938 3189138 PK04_101041 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B22 compound treatment 0.471 -0.00558 -0.18 0.461 -0.01 -0.3 -0.3345 -0.9682 3189139 PK04_101042 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B23 compound treatment 0.441 -0.0356 -1.12 0.458 -0.013 -0.39 -1.0644 -0.8993 3069689 PK04_101043 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 B24 compound treatment 0.488 0.0114 0.36 0.492 0.021 0.62 0.693 0.9661 3189140 PK04_101044 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C01 compound treatment 0.478 0.00142 0.04 0.516 0.045 1.33 0.9735 0.7304 3189247 PK04_101045 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C02 compound treatment 0.462 -0.0146 -0.46 0.55 0.079 2.34 1.3302 0.558 3069724 PK04_101046 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C03 compound treatment 0.467 -0.00958 -0.3 0.465 -0.00605 -0.18 -0.3397 -0.9692 3189248 PK04_101047 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C04 compound treatment 0.469 -0.00758 -0.24 0.478 0.00695 0.21 -0.0228 -0.0724 3189249 PK04_101048 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C05 compound treatment 0.464 -0.0126 -0.4 0.471 -4.69E-5 0.0 -0.2806 -0.7096 3069725 PK04_101049 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C06 compound treatment 0.466 -0.0106 -0.33 0.461 -0.01 -0.3 -0.4457 -0.9985 3189250 PK04_101050 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C07 compound treatment 0.475 -0.00158 -0.05 0.472 9.53E-4 0.03 -0.0151 -0.2648 3069726 PK04_101051 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C08 compound treatment 0.465 -0.0116 -0.36 0.472 9.53E-4 0.03 -0.2375 -0.6503 3189251 PK04_101052 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C09 compound treatment 0.477 4.22E-4 0.01 0.468 -0.00305 -0.09 -0.0545 -0.5968 3189252 PK04_101053 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C10 compound treatment 0.475 -0.00158 -0.05 0.461 -0.01 -0.3 -0.2456 -0.8137 3069727 PK04_101054 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C11 mock treatment 0.462 -0.0146 -0.46 0.462 -0.00905 -0.27 -0.5137 -0.9674 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C12 mock treatment 0.461 -0.0156 -0.49 0.471 -4.69E-5 0.0 -0.3473 -0.7091 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C13 compound treatment 0.474 -0.00258 -0.08 0.457 -0.014 -0.42 -0.3516 -0.8292 3189253 PK04_101055 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C14 compound treatment 0.473 -0.00358 -0.11 0.453 -0.018 -0.53 -0.4577 -0.8375 3069728 PK04_101056 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C15 mock treatment 0.474 -0.00258 -0.08 0.466 -0.00505 -0.15 -0.1631 -0.9586 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C16 mock treatment 0.466 -0.0106 -0.33 0.468 -0.00305 -0.09 -0.299 -0.8676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C17 compound treatment 0.475 -0.00158 -0.05 0.473 0.00195 0.06 0.0058 0.0765 3189254 PK04_101057 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C18 compound treatment 0.463 -0.0136 -0.43 0.474 0.00295 0.09 -0.24 -0.5507 3189255 PK04_101058 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C19 compound treatment 0.45 -0.0266 -0.84 0.461 -0.01 -0.3 -0.8014 -0.9034 3069729 PK04_101059 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C20 compound treatment 0.444 -0.0326 -1.02 0.449 -0.022 -0.65 -1.1863 -0.9764 3189256 PK04_101060 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C21 compound treatment 0.465 -0.0116 -0.36 0.446 -0.025 -0.74 -0.7822 -0.9462 3189257 PK04_101061 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C22 compound treatment 0.452 -0.0246 -0.77 0.459 -0.012 -0.36 -0.7989 -0.9384 3069730 PK04_101062 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C23 compound treatment 0.465 -0.0116 -0.36 0.464 -0.00705 -0.21 -0.4051 -0.9652 3189258 PK04_101063 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 C24 compound treatment 0.466 -0.0106 -0.33 0.455 -0.016 -0.48 -0.5714 -0.9847 3069731 PK04_101064 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D01 compound treatment 0.454 -0.0226 -0.71 0.448 -0.023 -0.68 -0.9849 -0.9998 3189259 PK04_101065 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D02 compound treatment 0.477 4.22E-4 0.01 0.466 -0.00505 -0.15 -0.0964 -0.6419 3069687 PK04_101066 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5ccc(CCO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D03 compound treatment 0.457 -0.0196 -0.62 0.448 -0.023 -0.68 -0.9182 -0.9987 3189260 PK04_101067 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D04 compound treatment 0.457 -0.0196 -0.62 0.442 -0.029 -0.86 -1.0439 -0.9865 3069688 PK04_101068 OCCc1ccc(cc1)N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D05 compound treatment 0.454 -0.0226 -0.71 0.456 -0.015 -0.45 -0.8173 -0.9749 3069732 PK04_101069 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D06 compound treatment 0.461 -0.0156 -0.49 0.459 -0.012 -0.36 -0.5988 -0.9879 3189139 PK04_101070 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D07 compound treatment 0.462 -0.0146 -0.46 0.461 -0.01 -0.3 -0.5346 -0.9782 3189261 PK04_101071 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D08 compound treatment 0.464 -0.0126 -0.4 0.463 -0.00805 -0.24 -0.4483 -0.9707 3069733 PK04_101072 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D09 compound treatment 0.457 -0.0196 -0.62 0.474 0.00295 0.09 -0.3734 -0.6006 3189262 PK04_101073 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D10 compound treatment 0.464 -0.0126 -0.4 0.467 -0.00405 -0.12 -0.3645 -0.8819 3069733 PK04_101074 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4ccc(CCO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D11 mock treatment 0.459 -0.0176 -0.55 0.468 -0.00305 -0.09 -0.4547 -0.8118 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D12 mock treatment 0.471 -0.00558 -0.18 0.465 -0.00605 -0.18 -0.2507 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D13 compound treatment 0.453 -0.0236 -0.74 0.461 -0.01 -0.3 -0.7347 -0.9197 3189263 PK04_101075 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D14 compound treatment 0.476 -5.78E-4 -0.02 0.457 -0.014 -0.42 -0.3072 -0.7373 3069734 PK04_101076 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D15 mock treatment 0.462 -0.0146 -0.46 0.449 -0.022 -0.65 -0.7861 -0.985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D16 mock treatment 0.481 0.00442 0.14 0.469 -0.00205 -0.06 0.0554 0.3654 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D17 compound treatment 0.441 -0.0356 -1.12 0.436 -0.035 -1.04 -1.5254 -0.9993 3189264 PK04_101077 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D18 compound treatment 0.463 -0.0136 -0.43 0.469 -0.00205 -0.06 -0.3448 -0.7995 3069734 PK04_101078 CC(C)(C)N(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D19 compound treatment 0.453 -0.0236 -0.74 0.449 -0.022 -0.65 -0.9862 -0.998 3069735 PK04_101079 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D20 compound treatment 0.463 -0.0136 -0.43 0.467 -0.00405 -0.12 -0.3867 -0.872 3189265 PK04_101080 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D21 compound treatment 0.465 -0.0116 -0.36 0.439 -0.032 -0.95 -0.9289 -0.9134 3189266 PK04_101081 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D22 compound treatment 0.461 -0.0156 -0.49 0.462 -0.00905 -0.27 -0.5359 -0.9598 3189265 PK04_101082 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCOCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D23 compound treatment 0.453 -0.0236 -0.74 0.445 -0.026 -0.77 -1.07 -0.9998 3069736 PK04_101083 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 D24 compound treatment 0.461 -0.0156 -0.49 0.474 0.00295 0.09 -0.2845 -0.5717 3189267 PK04_101084 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E01 mock treatment 0.482 0.00542 0.17 0.485 0.014 0.41 0.4129 0.9233 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E02 mock treatment 0.464 -0.0126 -0.4 0.449 -0.022 -0.65 -0.7416 -0.9711 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E03 compound treatment 0.472 -0.00458 -0.14 0.456 -0.015 -0.45 -0.4171 -0.8902 3189373 PK04_101085 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E04 compound treatment 0.465 -0.0116 -0.36 0.481 0.00995 0.29 -0.0489 -0.1043 3189374 PK04_101086 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E05 compound treatment 0.477 4.22E-4 0.01 0.449 -0.022 -0.65 -0.4526 -0.6926 3069761 PK04_101087 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E06 compound treatment 0.477 4.22E-4 0.01 0.461 -0.01 -0.3 -0.2011 -0.6749 3189375 PK04_101088 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E07 compound treatment 0.465 -0.0116 -0.36 0.475 0.00395 0.12 -0.1746 -0.4565 3189376 PK04_101089 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E08 compound treatment 0.486 0.00942 0.3 0.486 0.015 0.44 0.5228 0.9808 3069762 PK04_101090 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E09 mock treatment 0.468 -0.00858 -0.27 0.49 0.019 0.56 0.2064 0.3313 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E10 mock treatment 0.473 -0.00358 -0.11 0.469 -0.00205 -0.06 -0.1224 -0.958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E11 compound treatment 0.478 0.00142 0.04 0.464 -0.00705 -0.21 -0.116 -0.5434 3189377 PK04_101091 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E12 compound treatment 0.476 -5.78E-4 -0.02 0.479 0.00795 0.24 0.1538 0.6506 3069763 PK04_101092 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E13 compound treatment 0.482 0.00542 0.17 0.479 0.00795 0.24 0.2872 0.9874 3189378 PK04_101093 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E14 compound treatment 0.49 0.0134 0.42 0.462 -0.00905 -0.27 0.1089 0.2177 3189379 PK04_101094 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E15 compound treatment 0.48 0.00342 0.11 0.48 0.00895 0.27 0.2637 0.921 3069764 PK04_101095 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E16 compound treatment 0.471 -0.00558 -0.18 0.465 -0.00605 -0.18 -0.2507 -0.9999 3189380 PK04_101096 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E17 mock treatment 0.481 0.00442 0.14 0.464 -0.00705 -0.21 -0.0493 -0.1967 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E18 mock treatment 0.469 -0.00758 -0.24 0.468 -0.00305 -0.09 -0.2323 -0.9118 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E19 compound treatment 0.483 0.00642 0.2 0.446 -0.025 -0.74 -0.382 -0.4967 3069765 PK04_101097 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E20 compound treatment 0.47 -0.00658 -0.21 0.452 -0.019 -0.56 -0.5453 -0.9072 3189381 PK04_101098 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E21 compound treatment 0.46 -0.0166 -0.52 0.468 -0.00305 -0.09 -0.4324 -0.8174 3189382 PK04_101099 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E22 compound treatment 0.451 -0.0256 -0.8 0.45 -0.021 -0.62 -1.0097 -0.9921 3069730 PK04_101100 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E23 compound treatment 0.478 0.00142 0.04 0.48 0.00895 0.27 0.2192 0.8148 3069766 PK04_101101 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 E24 compound treatment 0.466 -0.0106 -0.33 0.457 -0.014 -0.42 -0.5295 -0.9938 3069731 PK04_101102 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F01 mock treatment 0.502 0.0254 0.8 0.468 -0.00305 -0.09 0.5014 0.6233 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F02 mock treatment 0.48 0.00342 0.11 0.471 -4.69E-5 0.0 0.0751 0.6979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F03 compound treatment 0.477 4.22E-4 0.01 0.456 -0.015 -0.45 -0.3059 -0.6858 3189383 PK04_101103 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F04 compound treatment 0.473 -0.00358 -0.11 0.464 -0.00705 -0.21 -0.2272 -0.9579 3189267 PK04_101104 OCCOCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F05 compound treatment 0.465 -0.0116 -0.36 0.462 -0.00905 -0.27 -0.447 -0.9887 3189384 PK04_101105 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F06 compound treatment 0.484 0.00742 0.23 0.474 0.00295 0.09 0.2269 0.9104 3069767 PK04_101106 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F07 compound treatment 0.471 -0.00558 -0.18 0.468 -0.00305 -0.09 -0.1879 -0.9523 3189385 PK04_101107 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F08 compound treatment 0.479 0.00242 0.08 0.476 0.00495 0.15 0.1576 0.9533 3069767 PK04_101108 CCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F09 mock treatment 0.474 -0.00258 -0.08 0.462 -0.00905 -0.27 -0.2469 -0.8815 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F10 mock treatment 0.476 -5.78E-4 -0.02 0.47 -0.00105 -0.03 -0.0348 -0.9676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F11 compound treatment 0.48 0.00342 0.11 0.461 -0.01 -0.3 -0.1344 -0.4247 3069768 PK04_101109 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F12 compound treatment 0.48 0.00342 0.11 0.48 0.00895 0.27 0.2637 0.921 3189386 PK04_101110 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F13 compound treatment 0.47 -0.00658 -0.21 0.481 0.00995 0.29 0.0623 0.1729 3189387 PK04_101111 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F14 compound treatment 0.482 0.00542 0.17 0.478 0.00695 0.21 0.2662 0.9956 3189386 PK04_101112 CCCCCN(CC=C)C(=O)C1N(CCOCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F15 compound treatment 0.484 0.00742 0.23 0.461 -0.01 -0.3 -0.0455 -0.1203 3069769 PK04_101113 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F16 compound treatment 0.473 -0.00358 -0.11 0.471 -4.69E-5 0.0 -0.0805 -0.7158 3189388 PK04_101114 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F17 mock treatment 0.479 0.00242 0.08 0.461 -0.01 -0.3 -0.1567 -0.5098 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F18 mock treatment 0.487 0.0104 0.33 0.478 0.00695 0.21 0.3774 0.975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F19 compound treatment 0.478 0.00142 0.04 0.462 -0.00905 -0.27 -0.1579 -0.5812 3189389 PK04_101115 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F20 compound treatment 0.486 0.00942 0.3 0.477 0.00595 0.18 0.3342 0.9693 3189388 PK04_101116 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F21 compound treatment 0.465 -0.0116 -0.36 0.451 -0.02 -0.59 -0.6775 -0.9724 3069770 PK04_101117 OCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F22 compound treatment 0.453 -0.0236 -0.74 0.462 -0.00905 -0.27 -0.7138 -0.9054 3189390 PK04_101118 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F23 compound treatment 0.453 -0.0236 -0.74 0.447 -0.024 -0.71 -1.0281 -0.9998 3189391 PK04_101119 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 F24 compound treatment 0.497 0.0204 0.64 0.491 0.02 0.59 0.8721 0.9991 3189390 PK04_101120 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G01 compound treatment 0.48 0.00342 0.11 0.489 0.018 0.53 0.4522 0.8333 3189392 PK04_101121 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G02 compound treatment 0.477 4.22E-4 0.01 0.456 -0.015 -0.45 -0.3059 -0.6858 3189374 PK04_101122 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G03 mock treatment 0.489 0.0124 0.39 0.461 -0.01 -0.3 0.0657 0.1337 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G04 mock treatment 0.483 0.00642 0.2 0.472 9.53E-4 0.03 0.1628 0.7982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G05 compound treatment 0.472 -0.00458 -0.14 0.478 0.00695 0.21 0.0439 0.1747 3069794 PK04_101123 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G06 compound treatment 0.478 0.00142 0.04 0.475 0.00395 0.12 0.1144 0.9128 3189375 PK04_101124 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G07 compound treatment 0.501 0.0244 0.77 0.495 0.024 0.71 1.0449 0.9992 3189393 PK04_101125 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G08 compound treatment 0.487 0.0104 0.33 0.477 0.00595 0.18 0.3565 0.9578 3069762 PK04_101126 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G09 compound treatment 0.469 -0.00758 -0.24 0.475 0.00395 0.12 -0.0857 -0.3226 3069795 PK04_101127 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G10 compound treatment 0.474 -0.00258 -0.08 0.447 -0.024 -0.71 -0.5612 -0.7825 3069763 PK04_101128 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G11 compound treatment 0.477 4.22E-4 0.01 0.469 -0.00205 -0.06 -0.0335 -0.5397 3189504 PK04_101129 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G12 compound treatment 0.482 0.00542 0.17 0.472 9.53E-4 0.03 0.1405 0.8132 3189379 PK04_101130 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G13 compound treatment 0.501 0.0244 0.77 0.499 0.028 0.83 1.1287 0.9993 3069796 PK04_101131 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G14 compound treatment 0.49 0.0134 0.42 0.475 0.00395 0.12 0.3812 0.8705 3189380 PK04_101132 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G15 compound treatment 0.493 0.0164 0.52 0.472 9.53E-4 0.03 0.3851 0.7447 3189505 PK04_101133 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G16 compound treatment 0.458 -0.0186 -0.58 0.477 0.00595 0.18 -0.2883 -0.4725 3189381 PK04_101134 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G17 compound treatment 0.487 0.0104 0.33 0.476 0.00495 0.15 0.3355 0.9344 3189506 PK04_101135 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G18 compound treatment 0.453 -0.0236 -0.74 0.46 -0.011 -0.33 -0.7557 -0.9325 3069797 PK04_101136 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G19 mock treatment 0.48 0.00342 0.11 0.48 0.00895 0.27 0.2637 0.921 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G20 mock treatment 0.486 0.00942 0.3 0.455 -0.016 -0.48 -0.1267 -0.2262 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G21 compound treatment 0.476 -5.78E-4 -0.02 0.465 -0.00605 -0.18 -0.1396 -0.7749 3189507 PK04_101137 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G22 compound treatment 0.459 -0.0176 -0.55 0.459 -0.012 -0.36 -0.6432 -0.9776 3189508 PK04_101138 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G23 compound treatment 0.47 -0.00658 -0.21 0.457 -0.014 -0.42 -0.4406 -0.9479 3069798 PK04_101139 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 G24 compound treatment 0.472 -0.00458 -0.14 0.458 -0.013 -0.39 -0.3752 -0.9094 3189509 PK04_101140 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H01 compound treatment 0.48 0.00342 0.11 0.496 0.025 0.74 0.5989 0.8016 3069799 PK04_101141 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H02 compound treatment 0.48 0.00342 0.11 0.468 -0.00305 -0.09 0.0122 0.0872 3189510 PK04_101142 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H03 mock treatment 0.457 -0.0196 -0.62 0.446 -0.025 -0.74 -0.9601 -0.9957 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H04 mock treatment 0.491 0.0144 0.45 0.464 -0.00705 -0.21 0.173 0.3465 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H05 compound treatment 0.457 -0.0196 -0.62 0.46 -0.011 -0.33 -0.6668 -0.9563 3189511 PK04_101143 OCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H06 compound treatment 0.477 4.22E-4 0.01 0.47 -0.00105 -0.03 -0.0126 -0.3721 3069800 PK04_101144 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H07 compound treatment 0.497 0.0204 0.64 0.477 0.00595 0.18 0.5788 0.8692 3189512 PK04_101145 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H08 compound treatment 0.475 -0.00158 -0.05 0.466 -0.00505 -0.15 -0.1408 -0.8938 3069800 PK04_101146 CCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H09 compound treatment 0.457 -0.0196 -0.62 0.462 -0.00905 -0.27 -0.6249 -0.9306 3189513 PK04_101147 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H10 compound treatment 0.485 0.00842 0.26 0.474 0.00295 0.09 0.2491 0.8933 3189510 PK04_101148 CC(C)(CO)N1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H11 compound treatment 0.461 -0.0156 -0.49 0.473 0.00195 0.06 -0.3054 -0.6193 3069801 PK04_101149 OCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H12 compound treatment 0.47 -0.00658 -0.21 0.471 -4.69E-5 0.0 -0.1472 -0.7118 3189514 PK04_101150 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H13 compound treatment 0.475 -0.00158 -0.05 0.454 -0.017 -0.51 -0.3923 -0.7729 3189515 PK04_101151 OCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H14 compound treatment 0.502 0.0254 0.8 0.476 0.00495 0.15 0.669 0.8232 3189514 PK04_101152 CCCCCN(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)C(C)(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H15 compound treatment 0.478 0.00142 0.04 0.462 -0.00905 -0.27 -0.1579 -0.5812 3069802 PK04_101153 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H16 compound treatment 0.479 0.00242 0.08 0.458 -0.013 -0.39 -0.2195 -0.5571 3189516 PK04_101154 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H17 compound treatment 0.469 -0.00758 -0.24 0.469 -0.00205 -0.06 -0.2114 -0.8597 3189517 PK04_101155 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H18 compound treatment 0.489 0.0124 0.39 0.467 -0.00405 -0.12 0.1914 0.4684 3189516 PK04_101156 CC(C)(C)N(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H19 mock treatment 0.483 0.00642 0.2 0.457 -0.014 -0.42 -0.1515 -0.3276 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H20 mock treatment 0.474 -0.00258 -0.08 0.473 0.00195 0.06 -0.0164 -0.1646 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H21 compound treatment 0.463 -0.0136 -0.43 0.459 -0.012 -0.36 -0.5543 -0.996 3069803 PK04_101157 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H22 compound treatment 0.495 0.0184 0.58 0.495 0.024 0.71 0.9115 0.9949 3189518 PK04_101158 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H23 compound treatment 0.464 -0.0126 -0.4 0.476 0.00495 0.15 -0.1759 -0.4169 3069804 PK04_101159 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 H24 compound treatment 0.482 0.00542 0.17 0.477 0.00595 0.18 0.2453 0.9999 3189518 PK04_101160 COc1ccc(cc1)N(CC=C)C(=O)C2N(CCCCCCO)C(=O)C3C(C4OC23C=C4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I01 compound treatment 0.492 0.0154 0.48 0.485 0.014 0.41 0.6352 0.9969 3189519 PK04_101161 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I02 compound treatment 0.472 -0.00458 -0.14 0.452 -0.019 -0.56 -0.5009 -0.8599 3189520 PK04_101162 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I03 compound treatment 0.465 -0.0116 -0.36 0.463 -0.00805 -0.24 -0.426 -0.9789 3069839 PK04_101163 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I04 compound treatment 0.455 -0.0216 -0.68 0.454 -0.017 -0.51 -0.8369 -0.9894 3189521 PK04_101164 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I05 mock treatment 0.478 0.00142 0.04 0.447 -0.024 -0.71 -0.4722 -0.6614 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I06 mock treatment 0.473 -0.00358 -0.11 0.459 -0.012 -0.36 -0.332 -0.887 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I07 compound treatment 0.468 -0.00858 -0.27 0.469 -0.00205 -0.06 -0.2336 -0.845 3069840 PK04_101165 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I08 compound treatment 0.478 0.00142 0.04 0.474 0.00295 0.09 0.0935 0.9514 3189522 PK04_101166 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I09 compound treatment 0.467 -0.00958 -0.3 0.477 0.00595 0.18 -0.0882 -0.2528 3189523 PK04_101167 OCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I10 compound treatment 0.47 -0.00658 -0.21 0.47 -0.00105 -0.03 -0.1682 -0.8042 3069841 PK04_101168 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I11 compound treatment 0.471 -0.00558 -0.18 0.468 -0.00305 -0.09 -0.1879 -0.9523 3189524 PK04_101169 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I12 compound treatment 0.471 -0.00558 -0.18 0.466 -0.00505 -0.15 -0.2298 -0.9969 3189640 PK04_101170 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I13 compound treatment 0.474 -0.00258 -0.08 0.487 0.016 0.47 0.2769 0.5774 3069842 PK04_101171 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I14 compound treatment 0.468 -0.00858 -0.27 0.469 -0.00205 -0.06 -0.2336 -0.845 3189641 PK04_101172 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I15 compound treatment 0.466 -0.0106 -0.33 0.448 -0.023 -0.68 -0.7181 -0.9453 3069843 PK04_101173 OCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I16 compound treatment 0.479 0.00242 0.08 0.464 -0.00705 -0.21 -0.0938 -0.422 3189642 PK04_101174 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I17 compound treatment 0.475 -0.00158 -0.05 0.488 0.017 0.5 0.3201 0.6342 3069844 PK04_101175 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I18 compound treatment 0.462 -0.0146 -0.46 0.468 -0.00305 -0.09 -0.388 -0.8304 3189643 PK04_101176 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I19 compound treatment 0.49 0.0134 0.42 0.46 -0.011 -0.33 0.067 0.1254 3069845 PK04_101177 OCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I20 compound treatment 0.462 -0.0146 -0.46 0.456 -0.015 -0.45 -0.6394 -0.9999 3189644 PK04_101178 CC(C)C(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I21 mock treatment 0.464 -0.0126 -0.4 0.463 -0.00805 -0.24 -0.4483 -0.9707 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I22 mock treatment 0.462 -0.0146 -0.46 0.461 -0.01 -0.3 -0.5346 -0.9782 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I23 compound treatment 0.474 -0.00258 -0.08 0.46 -0.011 -0.33 -0.2888 -0.8564 3189645 PK04_101179 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 I24 compound treatment 0.457 -0.0196 -0.62 0.462 -0.00905 -0.27 -0.6249 -0.9306 3069846 PK04_101180 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J01 compound treatment 0.467 -0.00958 -0.3 0.488 0.017 0.5 0.1423 0.2429 3189646 PK04_101181 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J02 compound treatment 0.468 -0.00858 -0.27 0.46 -0.011 -0.33 -0.4222 -0.9954 3189647 PK04_101182 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J03 compound treatment 0.437 -0.0396 -1.24 0.441 -0.03 -0.89 -1.5095 -0.9865 3069847 PK04_101183 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J04 compound treatment 0.472 -0.00458 -0.14 0.469 -0.00205 -0.06 -0.1447 -0.9262 3189647 PK04_101184 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J05 mock treatment 0.481 0.00442 0.14 0.459 -0.012 -0.36 -0.1541 -0.4023 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J06 mock treatment 0.477 4.22E-4 0.01 0.464 -0.00705 -0.21 -0.1383 -0.6609 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J07 compound treatment 0.464 -0.0126 -0.4 0.458 -0.013 -0.39 -0.553 -0.9999 3189648 PK04_101185 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J08 compound treatment 0.464 -0.0126 -0.4 0.479 0.00795 0.24 -0.113 -0.2455 3189649 PK04_101186 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J09 compound treatment 0.482 0.00542 0.17 0.492 0.021 0.62 0.5596 0.8691 3069848 PK04_101187 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J10 compound treatment 0.468 -0.00858 -0.27 0.457 -0.014 -0.42 -0.485 -0.9779 3189649 PK04_101188 CCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J11 compound treatment 0.48 0.00342 0.11 0.474 0.00295 0.09 0.138 0.9947 3189650 PK04_101189 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J12 compound treatment 0.488 0.0114 0.36 0.465 -0.00605 -0.18 0.1273 0.3171 3189651 PK04_101190 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J13 compound treatment 0.456 -0.0206 -0.65 0.459 -0.012 -0.36 -0.7099 -0.9607 3069849 PK04_101191 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J14 compound treatment 0.472 -0.00458 -0.14 0.464 -0.00705 -0.21 -0.2494 -0.9835 3189651 PK04_101192 CCCCCN(CC=C)C(=O)C1N(CCCCCCO)C(=O)C2C(C3OC12C=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J15 compound treatment 0.47 -0.00658 -0.21 0.467 -0.00405 -0.12 -0.2311 -0.9664 3189652 PK04_101193 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J16 compound treatment 0.484 0.00742 0.23 0.478 0.00695 0.21 0.3107 0.9981 3069850 PK04_101194 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J17 compound treatment 0.468 -0.00858 -0.27 0.479 0.00795 0.24 -0.0241 -0.0672 3189653 PK04_101195 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J18 compound treatment 0.5 0.0234 0.74 0.495 0.024 0.71 1.0226 0.9998 3069850 PK04_101196 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J19 compound treatment 0.49 0.0134 0.42 0.464 -0.00705 -0.21 0.1508 0.3202 3189654 PK04_101197 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J20 compound treatment 0.509 0.0324 1.02 0.5 0.029 0.86 1.3275 0.9963 3069851 PK04_101198 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J21 mock treatment 0.473 -0.00358 -0.11 0.473 0.00195 0.06 -0.0386 -0.3053 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J22 mock treatment 0.489 0.0124 0.39 0.489 0.018 0.53 0.6524 0.9885 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J23 compound treatment 0.468 -0.00858 -0.27 0.457 -0.014 -0.42 -0.485 -0.9779 3189655 PK04_101199 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 J24 compound treatment 0.502 0.0254 0.8 0.495 0.024 0.71 1.0671 0.9982 3069851 PK04_101200 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2c(Cl)cccc2CO)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K01 compound treatment 0.492 0.0154 0.48 0.497 0.026 0.77 0.8867 0.9753 3189656 PK04_101201 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K02 compound treatment 0.468 -0.00858 -0.27 0.459 -0.012 -0.36 -0.4431 -0.9904 3189657 PK04_101202 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K03 compound treatment 0.467 -0.00958 -0.3 0.464 -0.00705 -0.21 -0.3606 -0.984 3069890 PK04_101203 CC(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K04 compound treatment 0.453 -0.0236 -0.74 0.457 -0.014 -0.42 -0.8186 -0.9627 3189658 PK04_101204 CC(C)C(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K05 compound treatment 0.469 -0.00758 -0.24 0.465 -0.00605 -0.18 -0.2952 -0.9901 3069891 PK04_101205 CCCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K06 compound treatment 0.472 -0.00458 -0.14 0.467 -0.00405 -0.12 -0.1866 -0.9959 3189659 PK04_101206 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(CO)C(C)C)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K07 mock treatment 0.478 0.00142 0.04 0.46 -0.011 -0.33 -0.1998 -0.6049 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K08 mock treatment 0.473 -0.00358 -0.11 0.473 0.00195 0.06 -0.0386 -0.3053 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K09 compound treatment 0.479 0.00242 0.08 0.456 -0.015 -0.45 -0.2614 -0.578 3187684 PK04_101207 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCOC(=O)[C@@H]6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K10 compound treatment 0.468 -0.00858 -0.27 0.463 -0.00805 -0.24 -0.3593 -0.9981 3069892 PK04_101208 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K11 compound treatment 0.48 0.00342 0.11 0.465 -0.00605 -0.18 -0.0506 -0.2422 3187685 PK04_101209 CCCCN1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K12 compound treatment 0.471 -0.00558 -0.18 0.469 -0.00205 -0.06 -0.1669 -0.8994 3187686 PK04_101210 CC(C)C(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K13 compound treatment 0.483 0.00642 0.2 0.47 -0.00105 -0.03 0.1208 0.5915 3069893 PK04_101211 CC(C)(C)N1CC=CC23O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K14 compound treatment 0.468 -0.00858 -0.27 0.463 -0.00805 -0.24 -0.3593 -0.9981 3187687 PK04_101212 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K15 mock treatment 0.482 0.00542 0.17 0.473 0.00195 0.06 0.1615 0.8969 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K16 mock treatment 0.477 4.22E-4 0.01 0.467 -0.00405 -0.12 -0.0754 -0.6251 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K17 compound treatment 0.47 -0.00658 -0.21 0.459 -0.012 -0.36 -0.3987 -0.9663 3069894 PK04_101213 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K18 compound treatment 0.461 -0.0156 -0.49 0.459 -0.012 -0.36 -0.5988 -0.9879 3187688 PK04_101214 CC(C)C(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K19 compound treatment 0.481 0.00442 0.14 0.465 -0.00605 -0.18 -0.0284 -0.1251 3069895 PK04_101215 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K20 compound treatment 0.478 0.00142 0.04 0.46 -0.011 -0.33 -0.1998 -0.6049 3187689 PK04_101216 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(CO)C(C)C)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K21 compound treatment 0.464 -0.0126 -0.4 0.473 0.00195 0.06 -0.2387 -0.5973 3187690 PK04_101217 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCOC(=O)[C@@H]4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K22 compound treatment 0.466 -0.0106 -0.33 0.475 0.00395 0.12 -0.1524 -0.4321 3069896 PK04_101218 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K23 mock treatment 0.467 -0.00958 -0.3 0.462 -0.00905 -0.27 -0.4025 -0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 K24 mock treatment 0.485 0.00842 0.26 0.472 9.53E-4 0.03 0.2072 0.7781 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L01 compound treatment 0.485 0.00842 0.26 0.491 0.02 0.59 0.6053 0.9344 3187691 PK04_101219 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L02 compound treatment 0.47 -0.00658 -0.21 0.472 9.53E-4 0.03 -0.1263 -0.6049 3187692 PK04_101220 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L03 compound treatment 0.459 -0.0176 -0.55 0.454 -0.017 -0.51 -0.748 -0.999 3069897 PK04_101221 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L04 compound treatment 0.491 0.0144 0.45 0.487 0.016 0.47 0.6549 0.9998 3187693 PK04_101222 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L05 compound treatment 0.47 -0.00658 -0.21 0.472 9.53E-4 0.03 -0.1263 -0.6049 3187694 PK04_101223 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L06 compound treatment 0.475 -0.00158 -0.05 0.468 -0.00305 -0.09 -0.0989 -0.9603 3187693 PK04_101224 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L07 mock treatment 0.465 -0.0116 -0.36 0.463 -0.00805 -0.24 -0.426 -0.9789 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L08 mock treatment 0.461 -0.0156 -0.49 0.487 0.016 0.47 -0.0121 -0.0178 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L09 compound treatment 0.472 -0.00458 -0.14 0.467 -0.00405 -0.12 -0.1866 -0.9959 3069898 PK04_101225 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L10 compound treatment 0.477 4.22E-4 0.01 0.477 0.00595 0.18 0.1341 0.7581 3187692 PK04_101226 OCc1cccc(Cl)c1N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L11 compound treatment 0.477 4.22E-4 0.01 0.481 0.00995 0.29 0.2179 0.7382 3187695 PK04_101227 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L12 compound treatment 0.475 -0.00158 -0.05 0.486 0.015 0.44 0.2782 0.624 3187696 PK04_101228 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L13 compound treatment 0.466 -0.0106 -0.33 0.468 -0.00305 -0.09 -0.299 -0.8676 3069899 PK04_101229 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@@H]3C2C(=O)O1)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L14 compound treatment 0.479 0.00242 0.08 0.465 -0.00605 -0.18 -0.0729 -0.3742 3187696 PK04_101230 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1c(Cl)cccc1CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L15 mock treatment 0.48 0.00342 0.11 0.476 0.00495 0.15 0.1799 0.9883 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L16 mock treatment 0.482 0.00542 0.17 0.464 -0.00705 -0.21 -0.0271 -0.1005 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L17 compound treatment 0.469 -0.00758 -0.24 0.463 -0.00805 -0.24 -0.3371 -1.0 3187697 PK04_101231 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L18 compound treatment 0.483 0.00642 0.2 0.475 0.00395 0.12 0.2256 0.9665 3187698 PK04_101232 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L19 compound treatment 0.467 -0.00958 -0.3 0.465 -0.00605 -0.18 -0.3397 -0.9692 3069900 PK04_101233 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L20 compound treatment 0.516 0.0394 1.24 1.374 0.903 26.76 19.7958 0.7391 3187698 PK04_101234 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L21 compound treatment 0.457 -0.0196 -0.62 0.449 -0.022 -0.65 -0.8972 -0.9996 3187699 PK04_101235 CC1CC/C=C\[C@H]2OC34C=CCN(Cc5ccccc5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L22 compound treatment 0.482 0.00542 0.17 0.479 0.00795 0.24 0.2872 0.9874 3187700 PK04_101236 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L23 mock treatment 0.463 -0.0136 -0.43 0.464 -0.00705 -0.21 -0.4495 -0.9459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 L24 mock treatment 0.507 0.0304 0.96 0.489 0.018 0.53 1.0526 0.9616 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M01 compound treatment 0.503 0.0264 0.83 0.486 0.015 0.44 0.9008 0.9567 3187701 PK04_101237 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCOC(=O)[C@@H]5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M02 compound treatment 0.489 0.0124 0.39 0.493 0.022 0.65 0.7362 0.9702 3069926 PK04_101238 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M03 compound treatment 0.472 -0.00458 -0.14 0.459 -0.012 -0.36 -0.3542 -0.9202 3187702 PK04_101239 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M04 compound treatment 0.48 0.00342 0.11 0.477 0.00595 0.18 0.2008 0.9719 3069927 PK04_101240 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M05 compound treatment 0.478 0.00142 0.04 0.472 9.53E-4 0.03 0.0516 0.9755 3187703 PK04_101241 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M06 compound treatment 0.473 -0.00358 -0.11 0.469 -0.00205 -0.06 -0.1224 -0.958 3187824 PK04_101242 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCC(C)OC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M07 compound treatment 0.481 0.00442 0.14 0.481 0.00995 0.29 0.3069 0.9411 3069928 PK04_101243 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M08 compound treatment 0.471 -0.00558 -0.18 0.484 0.013 0.38 0.1474 0.3492 3187825 PK04_101244 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M09 mock treatment 0.488 0.0114 0.36 0.481 0.00995 0.29 0.4625 0.9952 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M10 mock treatment 0.47 -0.00658 -0.21 0.476 0.00495 0.15 -0.0425 -0.1675 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M11 compound treatment 0.473 -0.00358 -0.11 0.487 0.016 0.47 0.2547 0.5242 3187826 PK04_101245 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M12 compound treatment 0.474 -0.00258 -0.08 0.476 0.00495 0.15 0.0465 0.2771 3069929 PK04_101246 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M13 mock treatment 0.48 0.00342 0.11 0.477 0.00595 0.18 0.2008 0.9719 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M14 mock treatment 0.486 0.00942 0.3 0.483 0.012 0.35 0.4599 0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M15 compound treatment 0.487 0.0104 0.33 0.503 0.032 0.95 0.9012 0.8995 3187827 PK04_101247 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M16 compound treatment 0.493 0.0164 0.52 0.48 0.00895 0.27 0.5527 0.9521 3187828 PK04_101248 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M17 compound treatment 0.492 0.0154 0.48 0.477 0.00595 0.18 0.4676 0.9062 3069930 PK04_101249 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M18 compound treatment 0.483 0.00642 0.2 0.487 0.016 0.47 0.477 0.928 3187829 PK04_101250 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M19 compound treatment 0.479 0.00242 0.08 0.467 -0.00405 -0.12 -0.0309 -0.2178 3069931 PK04_101251 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M20 compound treatment 0.471 -0.00558 -0.18 0.484 0.013 0.38 0.1474 0.3492 3187830 PK04_101252 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M21 compound treatment 0.467 -0.00958 -0.3 0.476 0.00495 0.15 -0.1092 -0.3259 3187831 PK04_101253 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M22 compound treatment 0.489 0.0124 0.39 0.472 9.53E-4 0.03 0.2962 0.7563 3069932 PK04_101254 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M23 compound treatment 0.485 0.00842 0.26 0.492 0.021 0.62 0.6263 0.9278 3187832 PK04_101255 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 M24 compound treatment 0.471 -0.00558 -0.18 0.477 0.00595 0.18 7.0E-4 0.0029 3187833 PK04_101256 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N01 compound treatment 0.509 0.0324 1.02 0.496 0.025 0.74 1.2437 0.9876 3069933 PK04_101257 CC(C)N1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N02 compound treatment 0.471 -0.00558 -0.18 0.478 0.00695 0.21 0.0217 0.0801 3187700 PK04_101258 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c2ccc(CCO)cc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N03 compound treatment 0.466 -0.0106 -0.33 0.476 0.00495 0.15 -0.1314 -0.3615 3187834 PK04_101259 CCCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N04 compound treatment 0.464 -0.0126 -0.4 0.459 -0.012 -0.36 -0.5321 -0.9987 3069934 PK04_101260 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N05 compound treatment 0.468 -0.00858 -0.27 0.471 -4.69E-5 0.0 -0.1917 -0.7107 3187835 PK04_101261 CC1CC/C=C\[C@H]2OC34C=CCN(Cn5nnc6ccccc56)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N06 compound treatment 0.477 4.22E-4 0.01 0.482 0.011 0.32 0.2389 0.7354 3069934 PK04_101262 OCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N07 compound treatment 0.473 -0.00358 -0.11 0.481 0.00995 0.29 0.129 0.4086 3187836 PK04_101263 CCCCN1CC=CC23O[C@@H]4/C=C\CCC(C)OC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N08 compound treatment 0.483 0.00642 0.2 0.482 0.011 0.32 0.3723 0.9739 3069935 PK04_101264 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N09 mock treatment 0.462 -0.0146 -0.46 0.453 -0.018 -0.53 -0.7023 -0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N10 mock treatment 0.473 -0.00358 -0.11 0.475 0.00395 0.12 0.0033 0.0202 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N11 compound treatment 0.465 -0.0116 -0.36 0.465 -0.00605 -0.18 -0.3841 -0.9467 3187837 PK04_101265 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N12 compound treatment 0.489 0.0124 0.39 0.487 0.016 0.47 0.6104 0.9955 3069935 PK04_101266 CCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N13 mock treatment 0.467 -0.00958 -0.3 0.475 0.00395 0.12 -0.1301 -0.4027 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N14 mock treatment 0.485 0.00842 0.26 0.481 0.00995 0.29 0.3958 0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N15 compound treatment 0.484 0.00742 0.23 0.466 -0.00505 -0.15 0.0593 0.2138 3069936 PK04_101267 CC1CC/C=C\[C@H]2OC34C=CCN(CCN5CCOCC5)C(=O)[C@H]4N(CCCCCCO)C(=O)[C@@H]3C2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N16 compound treatment 0.474 -0.00258 -0.08 0.485 0.014 0.41 0.235 0.5578 3187838 PK04_101268 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N17 compound treatment 0.474 -0.00258 -0.08 0.467 -0.00405 -0.12 -0.1421 -0.9818 3187839 PK04_101269 CC1CC/C=C\[C@H]2OC34C=CCN(C(=O)[C@H]4N(CCCCCCO)C(=O)[C@]3(C)C2C(=O)O1)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N18 compound treatment 0.473 -0.00358 -0.11 0.496 0.025 0.74 0.4433 0.5927 3187838 PK04_101270 CCCCCN(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)c1ccc(CCO)cc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N19 compound treatment 0.473 -0.00358 -0.11 0.464 -0.00705 -0.21 -0.2272 -0.9579 3187840 PK04_101271 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCC(C)OC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N20 compound treatment 0.491 0.0144 0.45 0.482 0.011 0.32 0.5502 0.9865 3187841 PK04_101272 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N21 compound treatment 0.459 -0.0176 -0.55 0.467 -0.00405 -0.12 -0.4756 -0.841 3069973 PK04_101273 OCCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N22 compound treatment 0.473 -0.00358 -0.11 0.468 -0.00305 -0.09 -0.1434 -0.994 3187841 PK04_101274 CC(C)(C)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N23 compound treatment 0.45 -0.0266 -0.84 0.465 -0.00605 -0.18 -0.7176 -0.8396 3187842 PK04_101275 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 N24 compound treatment 0.493 0.0164 0.52 0.491 0.02 0.59 0.7832 0.9977 3187843 PK04_101276 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O01 compound treatment 0.532 0.0554 1.74 0.523 0.052 1.54 2.3208 0.9981 3069974 PK04_101277 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O02 compound treatment 0.488 0.0114 0.36 0.491 0.02 0.59 0.672 0.9715 3187957 PK04_101278 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O03 compound treatment 0.485 0.00842 0.26 0.468 -0.00305 -0.09 0.1234 0.4411 3187958 PK04_101279 OCCCCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O04 compound treatment 0.468 -0.00858 -0.27 0.457 -0.014 -0.42 -0.485 -0.9779 3069975 PK04_101280 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O05 compound treatment 0.472 -0.00458 -0.14 0.483 0.012 0.35 0.1487 0.3888 3187959 PK04_101281 CC(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O06 compound treatment 0.493 0.0164 0.52 0.475 0.00395 0.12 0.448 0.846 3187960 PK04_101282 CC(CO)N1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O07 compound treatment 0.53 0.0534 1.68 0.462 -0.00905 -0.27 0.9982 0.5868 3069976 PK04_101283 CCCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O08 compound treatment 0.484 0.00742 0.23 0.503 0.032 0.95 0.8345 0.8558 3187961 PK04_101284 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(C(C)CO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O09 compound treatment 0.497 0.0204 0.64 0.495 0.024 0.71 0.9559 0.9988 3069977 PK04_101285 OCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6C=CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O10 compound treatment 0.488 0.0114 0.36 0.484 0.013 0.38 0.5254 0.9994 3187962 PK04_101286 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O11 mock treatment 0.493 0.0164 0.52 0.495 0.024 0.71 0.867 0.9878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O12 mock treatment 0.492 0.0154 0.48 0.504 0.033 0.98 1.0333 0.9478 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O13 compound treatment 0.486 0.00942 0.3 0.475 0.00395 0.12 0.2923 0.9176 3187963 PK04_101287 CCCCN1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O14 compound treatment 0.502 0.0254 0.8 0.487 0.016 0.47 0.8995 0.9686 3069978 PK04_101288 CC(CO)N1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O15 compound treatment 0.507 0.0304 0.96 0.51 0.039 1.15 1.4926 0.9956 3187964 PK04_101289 CC(C)(C)N1CC=CC23O[C@@H]4C=CCCOC(=O)C4[C@H]3C(=O)N(CCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O16 compound treatment 0.51 0.0334 1.05 0.499 0.028 0.83 1.3288 0.9931 3187965 PK04_101290 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O17 compound treatment 0.505 0.0284 0.89 0.491 0.02 0.59 1.05 0.9799 3069979 PK04_101291 OCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5C=CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O18 compound treatment 0.492 0.0154 0.48 0.498 0.027 0.8 0.9076 0.9714 3187966 PK04_101292 CC(CO)N1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@@]3(C)C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O19 compound treatment 0.492 0.0154 0.48 0.484 0.013 0.38 0.6143 0.9933 3187967 PK04_101293 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O20 compound treatment 0.497 0.0204 0.64 0.468 -0.00305 -0.09 0.3902 0.6018 3069980 PK04_101294 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(C(C)CO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O21 compound treatment 0.485 0.00842 0.26 0.507 0.036 1.07 0.9406 0.8568 3187968 PK04_101295 OCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4C=CCCOC(=O)C4[C@H]3C1=O)c5ccc(Cl)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O22 compound treatment 0.496 0.0194 0.61 0.49 0.019 0.56 0.8289 0.9991 3069981 PK04_101296 OCCN1[C@@H]2C(=O)N(Cc3ccccc3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O23 compound treatment 0.475 -0.00158 -0.05 0.482 0.011 0.32 0.1944 0.5921 3187969 PK04_101297 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5C=CCCOC(=O)C5[C@H]4C(=O)N(CCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 O24 compound treatment 0.487 0.0104 0.33 0.496 0.025 0.74 0.7546 0.933 3187970 PK04_101298 CC(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P01 compound treatment 0.507 0.0304 0.96 0.504 0.033 0.98 1.3669 0.9999 3069982 PK04_101299 CCCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P02 compound treatment 0.513 0.0364 1.15 0.503 0.032 0.95 1.4793 0.9955 3187843 PK04_101300 COc1ccc(cc1)N(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P03 compound treatment 0.505 0.0284 0.89 0.479 0.00795 0.24 0.7986 0.864 3187971 PK04_101301 OCCCCCCN1[C@@H]2C(=O)N(Cn3nnc4ccccc34)CC=CC52O[C@@H]6/C=C\CCCOC(=O)C6[C@H]5C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P04 compound treatment 0.535 0.0584 1.84 0.534 0.063 1.87 2.618 1.0 3069983 PK04_101302 OCCOCCN(C(C(=O)N(CC=C)Cc1ccccc1)c2cccs2)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P05 compound treatment 0.486 0.00942 0.3 0.492 0.021 0.62 0.6485 0.9427 3187972 PK04_101303 CCCCN1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P06 compound treatment 0.501 0.0244 0.77 0.499 0.028 0.83 1.1287 0.9993 3187973 PK04_101304 OCCOCCc1ccc(cc1)N(C(C(=O)N(CC=C)Cc2ccccc2)c3cccs3)C(=O)/C=C\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P07 compound treatment 0.487 0.0104 0.33 0.493 0.022 0.65 0.6917 0.9496 3069985 PK04_101305 CC(C)(C)N1CC=CC23O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C(=O)N(CCCCCCO)[C@@H]2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P08 compound treatment 0.507 0.0304 0.96 0.502 0.031 0.92 1.3249 0.9998 3187974 PK04_101306 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P09 compound treatment 0.497 0.0204 0.64 0.506 0.035 1.04 1.1864 0.9736 3187975 PK04_101307 OCCCCCCN1[C@@H]2C(=O)N(CCN3CCOCC3)CC=CC42O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P10 compound treatment 0.5 0.0234 0.74 0.517 0.046 1.36 1.4836 0.9584 3187974 PK04_101308 CCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P11 mock treatment 0.482 0.00542 0.17 0.494 0.023 0.68 0.6015 0.8578 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P12 mock treatment 0.5 0.0234 0.74 0.498 0.027 0.8 1.0855 0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P13 compound treatment 0.478 0.00142 0.04 0.491 0.02 0.59 0.4497 0.7584 3069986 PK04_101309 OCCCCCCN1[C@@H]2C(=O)N(CC=CC32O[C@@H]4/C=C\CCCOC(=O)C4[C@H]3C1=O)c5ccc6ccccc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P14 compound treatment 0.504 0.0274 0.86 0.501 0.03 0.89 1.2373 0.9999 3069301 PK04_101310 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P15 compound treatment 0.514 0.0374 1.18 0.504 0.033 0.98 1.5225 0.9957 3187976 PK04_101311 C[C@]12C3[C@H](OC24C=CCN(C(=O)[C@H]4N(CCCCCCO)C1=O)c5ccc(Cl)cc5)/C=C\CCCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P16 compound treatment 0.509 0.0324 1.02 0.493 0.022 0.65 1.1808 0.9765 3069301 PK04_101312 CCCCCN(CC=C)C(=O)C(N(CCOCCO)C(=O)/C=C\C(=O)O)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P17 compound treatment 0.487 0.0104 0.33 0.506 0.035 1.04 0.9641 0.8875 3187977 PK04_101313 CCN(CC)c1ccc(cc1)N2CC=CC34O[C@@H]5/C=C\CCCOC(=O)C5[C@H]4C(=O)N(CCCCCCO)[C@@H]3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P18 compound treatment 0.513 0.0364 1.15 0.522 0.051 1.51 1.8774 0.9907 3069302 PK04_101314 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P19 compound treatment 0.518 0.0414 1.3 0.516 0.045 1.33 1.8629 0.9999 3189130 PK04_101315 CC(C)(C)N(CC=C)C(=O)C1N(C(=O)C2C(C3OC12C=C3)C(=O)O)c4c(Cl)cccc4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P20 compound treatment 0.509 0.0324 1.02 0.522 0.051 1.51 1.7885 0.9817 3069302 PK04_101316 CC(C)(C)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c1cccs1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P21 compound treatment 0.508 0.0314 0.99 0.531 0.06 1.78 1.9548 0.9616 3189131 PK04_101317 COc1ccc(cc1)N(CC=C)C(=O)C2N(C(=O)C3C(C4OC23C=C4)C(=O)O)c5c(Cl)cccc5CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P22 compound treatment 0.522 0.0454 1.43 0.525 0.054 1.6 2.1404 0.9984 3069303 PK04_101318 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P23 compound treatment 0.533 0.0564 1.77 0.524 0.053 1.57 2.364 0.9981 3069685 PK04_101319 OCc1cccc(Cl)c1N2C(C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)C(C5C(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2101 P24 compound treatment 0.544 0.0674 2.12 0.562 0.091 2.7 3.4048 0.9929 3069303 PK04_101320 COc1ccc(cc1)N(CC=C)C(=O)C(N(C(=O)/C=C\C(=O)O)C(C)(C)CO)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A01 compound treatment 0.525 0.0581 1.83 0.517 0.0593 1.76 2.5351 0.9998 3188092 PK04_102001 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A02 compound treatment 0.507 0.0401 1.26 0.516 0.0583 1.73 2.1139 0.988 3188093 PK04_102002 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A03 compound treatment 0.516 0.0491 1.54 0.51 0.0523 1.55 2.1883 1.0 3069304 PK04_102003 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A04 compound treatment 0.497 0.0301 0.95 0.501 0.0433 1.28 1.5773 0.9887 3188094 PK04_102004 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A05 compound treatment 0.477 0.0101 0.32 0.473 0.0153 0.45 0.5459 0.9846 3069305 PK04_102005 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A06 compound treatment 0.492 0.0251 0.79 0.483 0.0253 0.75 1.089 0.9997 3188095 PK04_102006 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A07 compound treatment 0.521 0.0541 1.7 0.508 0.0503 1.49 2.2576 0.9979 3069306 PK04_102007 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A08 compound treatment 0.484 0.0171 0.54 0.477 0.0193 0.57 0.7854 0.9995 3188096 PK04_102008 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A09 compound treatment 0.53 0.0631 1.98 0.527 0.0693 2.05 2.8558 0.9998 3188097 PK04_102009 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A10 compound treatment 0.47 0.00309 0.1 0.46 0.00234 0.07 0.1179 0.9864 3069307 PK04_102010 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A11 compound treatment 0.483 0.0161 0.51 0.477 0.0193 0.57 0.7631 0.9981 3188098 PK04_102011 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A12 compound treatment 0.479 0.0121 0.38 0.47 0.0123 0.37 0.5275 0.9998 3069308 PK04_102012 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A13 mock treatment 0.475 0.00809 0.25 0.469 0.0113 0.34 0.4176 0.9906 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A14 mock treatment 0.463 -0.00391 -0.12 0.481 0.0233 0.69 0.4023 0.5726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A15 compound treatment 0.517 0.0501 1.58 0.513 0.0553 1.64 2.2734 0.9998 3188099 PK04_102013 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A16 compound treatment 0.494 0.0271 0.85 0.475 0.0173 0.51 0.9658 0.9707 3188100 PK04_102014 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A17 compound treatment 0.517 0.0501 1.58 0.512 0.0543 1.61 2.2524 0.9999 3069309 PK04_102015 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@]5(O[C@H](CCO)[C@H]([C@@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A18 compound treatment 0.508 0.0411 1.29 0.491 0.0333 0.99 1.6123 0.9912 3188101 PK04_102016 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A19 compound treatment 0.513 0.0461 1.45 0.514 0.0563 1.67 2.2054 0.9975 3069310 PK04_102017 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A20 compound treatment 0.499 0.0321 1.01 0.476 0.0183 0.54 1.0979 0.9579 3188102 PK04_102018 COc1ccc(cc1)C(=O)Nc2ccc3N(Cc4ccccc4)C(=O)[C@@]5(O[C@@H](CCO)[C@@H]([C@H]5C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A21 compound treatment 0.453 -0.0139 -0.44 0.449 -0.00866 -0.26 -0.4906 -0.9677 3188103 PK04_102019 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A22 compound treatment 0.494 0.0271 0.85 0.485 0.0273 0.81 1.1753 0.9997 3069311 PK04_102020 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A23 compound treatment 0.447 -0.0199 -0.63 0.443 -0.0147 -0.43 -0.7497 -0.9841 3188104 PK04_102021 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 A24 compound treatment 0.435 -0.0319 -1.0 0.456 -0.00166 -0.05 -0.7441 -0.7408 3188105 PK04_102022 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCOC7=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B01 compound treatment 0.494 0.0271 0.85 0.49 0.0323 0.96 1.2801 0.9983 3069350 PK04_102023 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B02 compound treatment 0.477 0.0101 0.32 0.474 0.0163 0.48 0.5669 0.979 3188106 PK04_102024 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B03 compound treatment 0.463 -0.00391 -0.12 0.453 -0.00466 -0.14 -0.1844 -0.9983 3069351 PK04_102025 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCCCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B04 compound treatment 0.434 -0.0329 -1.03 0.45 -0.00766 -0.23 -0.8921 -0.8421 3188107 PK04_102026 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B05 compound treatment 0.49 0.0231 0.73 0.476 0.0183 0.54 0.8978 0.9898 3188221 PK04_102027 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B06 compound treatment 0.47 0.00309 0.1 0.446 -0.0117 -0.35 -0.1754 -0.4889 3069352 PK04_102028 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B07 compound treatment 0.442 -0.0249 -0.78 0.44 -0.0177 -0.52 -0.9237 -0.9808 3188222 PK04_102029 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B08 compound treatment 0.467 9.38E-5 0.0 0.451 -0.00666 -0.2 -0.1374 -0.6965 3069353 PK04_102030 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B09 compound treatment 0.478 0.0111 0.35 0.466 0.00834 0.25 0.4215 0.9858 3188223 PK04_102031 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B10 compound treatment 0.462 -0.00491 -0.15 0.456 -0.00166 -0.05 -0.1438 -0.8882 3188224 PK04_102032 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B11 compound treatment 0.476 0.00909 0.29 0.476 0.0183 0.54 0.5865 0.955 3069354 PK04_102033 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B12 compound treatment 0.459 -0.00791 -0.25 0.456 -0.00166 -0.05 -0.2105 -0.8307 3188225 PK04_102034 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B13 mock treatment 0.471 0.00409 0.13 0.458 3.44E-4 0.01 0.0982 0.7607 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B14 mock treatment 0.457 -0.00991 -0.31 0.451 -0.00666 -0.2 -0.3597 -0.9757 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B15 compound treatment 0.466 -9.06E-4 -0.03 0.462 0.00434 0.13 0.0709 0.5375 3188226 PK04_102035 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B16 compound treatment 0.491 0.0241 0.76 0.474 0.0163 0.48 0.8781 0.9766 3069355 PK04_102036 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B17 compound treatment 0.454 -0.0129 -0.41 0.456 -0.00166 -0.05 -0.3217 -0.7869 3188227 PK04_102037 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B18 compound treatment 0.467 9.38E-5 0.0 0.471 0.0133 0.4 0.2817 0.7124 3069356 PK04_102038 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(I)c5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B19 compound treatment 0.47 0.00309 0.1 0.45 -0.00766 -0.23 -0.0916 -0.3712 3188228 PK04_102039 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B20 compound treatment 0.5 0.0331 1.04 0.483 0.0253 0.75 1.2668 0.9872 3188229 PK04_102040 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B21 compound treatment 0.518 0.0511 1.61 0.502 0.0443 1.31 2.0651 0.995 3069357 PK04_102041 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B22 compound treatment 0.493 0.0261 0.82 0.48 0.0223 0.66 1.0483 0.9943 3188230 PK04_102042 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(I)c6)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B23 compound treatment 0.502 0.0351 1.1 0.492 0.0343 1.02 1.4999 0.9992 3069358 PK04_102043 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 B24 compound treatment 0.446 -0.0209 -0.66 0.51 0.0523 1.55 0.6319 0.3751 3188231 PK04_102044 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(I)cc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C01 compound treatment 0.499 0.0321 1.01 0.476 0.0183 0.54 1.0979 0.9579 3188232 PK04_102045 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C02 compound treatment 0.452 -0.0149 -0.47 0.449 -0.00866 -0.26 -0.5128 -0.9598 3069359 PK04_102046 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C03 compound treatment 0.505 0.0381 1.2 0.5 0.0423 1.25 1.7342 0.9997 3188233 PK04_102047 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C04 compound treatment 0.458 -0.00891 -0.28 0.456 -0.00166 -0.05 -0.2327 -0.8186 3188234 PK04_102048 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C05 compound treatment 0.456 -0.0109 -0.34 0.444 -0.0137 -0.4 -0.5286 -0.9966 3069360 PK04_102049 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C06 compound treatment 0.505 0.0381 1.2 0.504 0.0463 1.37 1.818 0.9977 3188235 PK04_102050 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C07 compound treatment 0.516 0.0491 1.54 0.508 0.0503 1.49 2.1464 0.9999 3069393 PK04_102051 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C08 compound treatment 0.459 -0.00791 -0.25 0.449 -0.00866 -0.26 -0.3572 -0.9999 3188236 PK04_102052 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C09 compound treatment 0.505 0.0381 1.2 0.5 0.0423 1.25 1.7342 0.9997 3069394 PK04_102053 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C10 compound treatment 0.487 0.0201 0.63 0.474 0.0163 0.48 0.7892 0.9914 3188352 PK04_102054 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C11 mock treatment 0.458 -0.00891 -0.28 0.452 -0.00566 -0.17 -0.3165 -0.9699 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C12 mock treatment 0.452 -0.0149 -0.47 0.504 0.0463 1.37 0.6396 0.4408 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C13 compound treatment 0.487 0.0201 0.63 0.453 -0.00466 -0.14 0.3492 0.54 3188353 PK04_102055 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C14 compound treatment 0.513 0.0461 1.45 0.502 0.0443 1.31 1.954 0.9988 3069395 PK04_102056 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C15 mock treatment 0.46 -0.00691 -0.22 0.452 -0.00566 -0.17 -0.2721 -0.9918 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C16 mock treatment 0.448 -0.0189 -0.59 0.451 -0.00666 -0.2 -0.5598 -0.8938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C17 compound treatment 0.467 9.38E-5 0.0 0.476 0.0183 0.54 0.3864 0.7109 3188354 PK04_102057 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C18 compound treatment 0.502 0.0351 1.1 0.489 0.0313 0.93 1.437 0.9963 3069396 PK04_102058 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C19 compound treatment 0.469 0.00209 0.07 0.47 0.0123 0.37 0.3052 0.8212 3188355 PK04_102059 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C20 compound treatment 0.463 -0.00391 -0.12 0.455 -0.00266 -0.08 -0.1425 -0.9769 3188356 PK04_102060 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C21 compound treatment 0.466 -9.06E-4 -0.03 0.469 0.0113 0.34 0.2175 0.6448 3069397 PK04_102061 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C22 compound treatment 0.455 -0.0119 -0.37 0.448 -0.00966 -0.29 -0.467 -0.9912 3188357 PK04_102062 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)COc7ccccc67 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C23 compound treatment 0.468 0.00109 0.03 0.459 0.00134 0.04 0.0525 0.9973 3188358 PK04_102063 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 C24 compound treatment 0.546 0.0791 2.49 0.496 0.0383 1.14 2.562 0.937 3069398 PK04_102064 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D01 compound treatment 0.469 0.00209 0.07 0.465 0.00734 0.22 0.2004 0.8816 3188359 PK04_102065 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D02 compound treatment 0.453 -0.0139 -0.44 0.447 -0.0107 -0.32 -0.5325 -0.9872 3069399 PK04_102066 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(I)cc6)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D03 compound treatment 0.488 0.0211 0.66 0.476 0.0183 0.54 0.8533 0.9951 3188360 PK04_102067 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D04 compound treatment 0.452 -0.0149 -0.47 0.46 0.00234 0.07 -0.2823 -0.5958 3188361 PK04_102068 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D05 compound treatment 0.453 -0.0139 -0.44 0.446 -0.0117 -0.35 -0.5534 -0.9932 3069400 PK04_102069 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D06 compound treatment 0.475 0.00809 0.25 0.46 0.00234 0.07 0.2291 0.8683 3188362 PK04_102070 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D07 compound treatment 0.458 -0.00891 -0.28 0.456 -0.00166 -0.05 -0.2327 -0.8186 3188363 PK04_102071 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D08 compound treatment 0.458 -0.00891 -0.28 0.447 -0.0107 -0.32 -0.4213 -0.9982 3069401 PK04_102072 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D09 compound treatment 0.452 -0.0149 -0.47 0.439 -0.0187 -0.55 -0.7223 -0.9966 3188364 PK04_102073 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D10 compound treatment 0.469 0.00209 0.07 0.471 0.0133 0.4 0.3261 0.8136 3069402 PK04_102074 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D11 mock treatment 0.455 -0.0119 -0.37 0.444 -0.0137 -0.4 -0.5509 -0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D12 mock treatment 0.456 -0.0109 -0.34 0.467 0.00934 0.28 -0.0467 -0.106 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D13 compound treatment 0.436 -0.0309 -0.97 0.438 -0.0197 -0.58 -1.099 -0.97 3069403 PK04_102075 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D14 compound treatment 0.509 0.0421 1.32 0.501 0.0433 1.28 1.8441 0.9999 3188365 PK04_102076 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D15 mock treatment 0.454 -0.0129 -0.41 0.449 -0.00866 -0.26 -0.4683 -0.9755 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D16 mock treatment 0.459 -0.00791 -0.25 0.462 0.00434 0.13 -0.0848 -0.3028 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D17 compound treatment 0.466 -9.06E-4 -0.03 0.462 0.00434 0.13 0.0709 0.5375 3188366 PK04_102077 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D18 compound treatment 0.449 -0.0179 -0.56 0.44 -0.0177 -0.52 -0.7681 -0.9993 3069404 PK04_102078 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D19 compound treatment 0.469 0.00209 0.07 0.447 -0.0107 -0.32 -0.1767 -0.5479 3188367 PK04_102079 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D20 compound treatment 0.521 0.0541 1.7 0.516 0.0583 1.73 2.4252 1.0 3069405 PK04_102080 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D21 compound treatment 0.454 -0.0129 -0.41 0.44 -0.0177 -0.52 -0.6569 -0.9921 3188368 PK04_102081 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D22 compound treatment 0.436 -0.0309 -0.97 0.435 -0.0227 -0.67 -1.1619 -0.9837 3069440 PK04_102082 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D23 compound treatment 0.485 0.0181 0.57 0.459 0.00134 0.04 0.4304 0.7547 3188485 PK04_102083 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 D24 compound treatment 0.474 0.00709 0.22 0.453 -0.00466 -0.14 0.0602 0.2294 3069441 PK04_102084 O[C@H](CC=C)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E01 mock treatment 0.472 0.00509 0.16 0.462 0.00434 0.13 0.2043 0.9941 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E02 mock treatment 0.455 -0.0119 -0.37 0.464 0.00634 0.19 -0.1318 -0.3146 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E03 compound treatment 0.457 -0.00991 -0.31 0.449 -0.00866 -0.26 -0.4016 -0.9953 3069442 PK04_102085 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(c6ccccc63)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E04 compound treatment 0.501 0.0341 1.07 0.493 0.0353 1.05 1.4986 0.9999 3188486 PK04_102086 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E05 compound treatment 0.479 0.0121 0.38 0.459 0.00134 0.04 0.297 0.7769 3188487 PK04_102087 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(c6ccccc63)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E06 compound treatment 0.47 0.00309 0.1 0.456 -0.00166 -0.05 0.0341 0.3128 3069443 PK04_102088 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E07 compound treatment 0.507 0.0401 1.26 0.497 0.0393 1.17 1.7158 0.9992 3188488 PK04_102089 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E08 compound treatment 0.508 0.0411 1.29 0.506 0.0483 1.43 1.9266 0.9987 3188489 PK04_102090 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E09 mock treatment 0.46 -0.00691 -0.22 0.445 -0.0127 -0.38 -0.4187 -0.9663 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E10 mock treatment 0.477 0.0101 0.32 0.455 -0.00266 -0.08 0.1688 0.5161 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E11 compound treatment 0.476 0.00909 0.29 0.46 0.00234 0.07 0.2513 0.854 3069444 PK04_102091 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E12 compound treatment 0.476 0.00909 0.29 0.472 0.0143 0.43 0.5027 0.9814 3188490 PK04_102092 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E13 compound treatment 0.512 0.0451 1.42 0.498 0.0403 1.2 1.8479 0.9964 3069445 PK04_102093 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E14 compound treatment 0.469 0.00209 0.07 0.47 0.0123 0.37 0.3052 0.8212 3188491 PK04_102094 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N(C=O)c5ccccc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E15 compound treatment 0.497 0.0301 0.95 0.494 0.0363 1.08 1.4306 0.9979 3188492 PK04_102095 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E16 compound treatment 0.446 -0.0209 -0.66 0.449 -0.00866 -0.26 -0.6462 -0.9158 3069446 PK04_102096 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E17 mock treatment 0.467 9.38E-5 0.0 0.454 -0.00366 -0.11 -0.0745 -0.6876 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E18 mock treatment 0.469 0.00209 0.07 0.444 -0.0137 -0.4 -0.2396 -0.5844 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E19 compound treatment 0.502 0.0351 1.1 0.491 0.0333 0.99 1.4789 0.9985 3188493 PK04_102097 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E20 compound treatment 0.457 -0.00991 -0.31 0.453 -0.00466 -0.14 -0.3178 -0.9329 3188494 PK04_102098 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E21 compound treatment 0.47 0.00309 0.1 0.46 0.00234 0.07 0.1179 0.9864 3069448 PK04_102099 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E22 compound treatment 0.491 0.0241 0.76 0.481 0.0233 0.69 1.0248 0.999 3188495 PK04_102100 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E23 compound treatment 0.46 -0.00691 -0.22 0.454 -0.00366 -0.11 -0.2302 -0.9484 3069450 PK04_102101 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCOC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 E24 compound treatment 0.485 0.0181 0.57 0.468 0.0103 0.31 0.619 0.9579 3188496 PK04_102102 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F01 mock treatment 0.48 0.0131 0.41 0.459 0.00134 0.04 0.3193 0.7719 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F02 mock treatment 0.477 0.0101 0.32 0.459 0.00134 0.04 0.2526 0.7896 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F03 compound treatment 0.45 -0.0169 -0.53 0.437 -0.0207 -0.61 -0.8087 -0.9975 3188497 PK04_102103 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F04 compound treatment 0.51 0.0431 1.36 0.499 0.0413 1.23 1.8244 0.9987 3069264 PK04_102104 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F05 compound treatment 0.464 -0.00291 -0.09 0.467 0.00934 0.28 0.1312 0.4499 3069265 PK04_102105 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F06 compound treatment 0.527 0.0601 1.89 0.52 0.0623 1.85 2.6424 0.9999 3188498 PK04_102106 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F07 compound treatment 0.477 0.0101 0.32 0.465 0.00734 0.22 0.3783 0.983 3188499 PK04_102107 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F08 compound treatment 0.472 0.00509 0.16 0.451 -0.00666 -0.2 -0.0262 -0.1032 3069441 PK04_102108 O[C@H](CC=C)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F09 mock treatment 0.466 -9.06E-4 -0.03 0.453 -0.00466 -0.14 -0.1177 -0.8355 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F10 mock treatment 0.468 0.00109 0.03 0.457 -6.56E-4 -0.02 0.0106 0.2675 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F11 compound treatment 0.462 -0.00491 -0.15 0.452 -0.00566 -0.17 -0.2276 -0.9991 3188500 PK04_102109 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F12 compound treatment 0.475 0.00809 0.25 0.455 -0.00266 -0.08 0.1243 0.4666 3069270 PK04_102110 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F13 compound treatment 0.5 0.0331 1.04 0.498 0.0403 1.2 1.5811 0.9976 3188501 PK04_102111 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F14 compound treatment 0.476 0.00909 0.29 0.453 -0.00466 -0.14 0.1046 0.3296 3188502 PK04_102112 CSc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F15 compound treatment 0.46 -0.00691 -0.22 0.456 -0.00166 -0.05 -0.1883 -0.8456 3188623 PK04_102113 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F16 compound treatment 0.489 0.0221 0.69 0.465 0.00734 0.22 0.6451 0.8861 3069312 PK04_102114 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F17 mock treatment 0.477 0.0101 0.32 0.445 -0.0127 -0.38 -0.0408 -0.083 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F18 mock treatment 0.468 0.00109 0.03 0.453 -0.00466 -0.14 -0.0732 -0.5151 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F19 compound treatment 0.466 -9.06E-4 -0.03 0.468 0.0103 0.31 0.1966 0.6386 3188624 PK04_102115 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F20 compound treatment 0.465 -0.00191 -0.06 0.449 -0.00866 -0.26 -0.2238 -0.8495 3069314 PK04_102116 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F21 compound treatment 0.45 -0.0169 -0.53 0.454 -0.00366 -0.11 -0.4525 -0.8341 3069316 PK04_102117 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7CCC7=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F22 compound treatment 0.508 0.0411 1.29 0.486 0.0283 0.84 1.5076 0.9782 3188625 PK04_102118 O[C@@H](CC=C)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F23 compound treatment 0.464 -0.00291 -0.09 0.449 -0.00866 -0.26 -0.246 -0.9034 3188626 PK04_102119 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 F24 compound treatment 0.491 0.0241 0.76 0.468 0.0103 0.31 0.7524 0.9207 3069318 PK04_102120 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G01 compound treatment 0.496 0.0291 0.91 0.485 0.0273 0.81 1.2198 0.9982 3069320 PK04_102121 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO)nn2)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G02 compound treatment 0.483 0.0161 0.51 0.492 0.0343 1.02 1.0774 0.948 3188627 PK04_102122 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G03 mock treatment 0.471 0.00409 0.13 0.47 0.0123 0.37 0.3497 0.9017 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G04 mock treatment 0.469 0.00209 0.07 0.464 0.00634 0.19 0.1795 0.9011 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G05 compound treatment 0.515 0.0481 1.51 0.514 0.0563 1.67 2.2499 0.9988 3069321 PK04_102123 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G06 compound treatment 0.517 0.0501 1.58 0.512 0.0543 1.61 2.2524 0.9999 3188628 PK04_102124 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G07 compound treatment 0.497 0.0301 0.95 0.49 0.0323 0.96 1.3468 1.0 3069362 PK04_102125 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G08 compound treatment 0.477 0.0101 0.32 0.47 0.0123 0.37 0.4831 0.9975 3188629 PK04_102126 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCOC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G09 compound treatment 0.504 0.0371 1.17 0.502 0.0443 1.31 1.7539 0.9982 3188630 PK04_102127 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G10 compound treatment 0.496 0.0291 0.91 0.487 0.0293 0.87 1.2617 0.9997 3188631 PK04_102128 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G11 compound treatment 0.522 0.0551 1.73 0.523 0.0653 1.94 2.5941 0.9985 3069365 PK04_102129 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(C)c4c3cc(C)cc4Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G12 compound treatment 0.476 0.00909 0.29 0.476 0.0183 0.54 0.5865 0.955 3188632 PK04_102130 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G13 compound treatment 0.531 0.0641 2.02 0.494 0.0363 1.08 2.1866 0.9569 3069368 PK04_102131 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G14 compound treatment 0.518 0.0511 1.61 0.502 0.0443 1.31 2.0651 0.995 3069370 PK04_102132 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G15 compound treatment 0.521 0.0541 1.7 0.521 0.0633 1.88 2.5299 0.9988 3188633 PK04_102133 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G16 compound treatment 0.498 0.0311 0.98 0.478 0.0203 0.6 1.1176 0.973 3188634 PK04_102134 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)COc6ccccc56)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G17 compound treatment 0.525 0.0581 1.83 0.508 0.0503 1.49 2.3465 0.9949 3188635 PK04_102135 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G18 compound treatment 0.47 0.00309 0.1 0.459 0.00134 0.04 0.0969 0.9223 3069408 PK04_102136 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCOC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G19 mock treatment 0.474 0.00709 0.22 0.45 -0.00766 -0.23 -0.0027 -0.0085 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G20 mock treatment 0.464 -0.00291 -0.09 0.448 -0.00966 -0.29 -0.2669 -0.8887 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G21 compound treatment 0.509 0.0421 1.32 0.495 0.0373 1.11 1.7184 0.996 3188636 PK04_102137 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G22 compound treatment 0.488 0.0211 0.66 0.473 0.0153 0.45 0.7905 0.983 3188637 PK04_102138 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G23 compound treatment 0.496 0.0291 0.91 0.452 -0.00566 -0.17 0.5284 0.5681 3069412 PK04_102139 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 G24 compound treatment 0.513 0.0461 1.45 0.491 0.0333 0.99 1.7235 0.9826 3188638 PK04_102140 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H01 compound treatment 0.484 0.0171 0.54 0.484 0.0263 0.78 0.932 0.9834 3188639 PK04_102141 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H02 compound treatment 0.451 -0.0159 -0.5 0.458 3.44E-4 0.01 -0.3465 -0.6926 3069414 PK04_102142 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H03 mock treatment 0.443 -0.0239 -0.75 0.443 -0.0147 -0.43 -0.8386 -0.966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H04 mock treatment 0.481 0.0141 0.44 0.467 0.00934 0.28 0.5091 0.9744 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H05 compound treatment 0.476 0.00909 0.29 0.46 0.00234 0.07 0.2513 0.854 3188755 PK04_102143 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H06 compound treatment 0.479 0.0121 0.38 0.469 0.0113 0.34 0.5066 0.9981 3188362 PK04_102144 C[C@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H07 compound treatment 0.473 0.00609 0.19 0.463 0.00534 0.16 0.2475 0.9955 3188756 PK04_102145 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCCCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H08 compound treatment 0.484 0.0171 0.54 0.487 0.0293 0.87 0.9949 0.9733 3069452 PK04_102146 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H09 compound treatment 0.507 0.0401 1.26 0.472 0.0143 0.43 1.192 0.896 3188757 PK04_102147 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H10 compound treatment 0.513 0.0461 1.45 0.467 0.00934 0.28 1.2206 0.8272 3069454 PK04_102148 COc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H11 compound treatment 0.478 0.0111 0.35 0.467 0.00934 0.28 0.4424 0.9935 3188758 PK04_102149 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H12 compound treatment 0.465 -0.00191 -0.06 0.463 0.00534 0.16 0.0696 0.411 3069456 PK04_102150 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H13 compound treatment 0.505 0.0381 1.2 0.481 0.0233 0.69 1.3361 0.966 3188759 PK04_102151 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H14 compound treatment 0.554 0.0871 2.74 0.51 0.0523 1.55 3.0332 0.9638 3069458 PK04_102152 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H15 compound treatment 0.484 0.0171 0.54 0.465 0.00734 0.22 0.5339 0.9208 3188760 PK04_102153 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H16 compound treatment 0.483 0.0161 0.51 0.465 0.00734 0.22 0.5117 0.9289 3069460 PK04_102154 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H17 compound treatment 0.477 0.0101 0.32 0.48 0.0223 0.66 0.6926 0.9433 3188761 PK04_102155 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H18 compound treatment 0.52 0.0531 1.67 0.5 0.0423 1.25 2.0677 0.9901 3069461 PK04_102156 COc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H19 mock treatment 0.461 -0.00591 -0.19 0.455 -0.00266 -0.08 -0.187 -0.927 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H20 mock treatment 0.467 9.38E-5 0.0 0.464 0.00634 0.19 0.135 0.7181 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H21 compound treatment 0.471 0.00409 0.13 0.467 0.00934 0.28 0.2868 0.9393 3188762 PK04_102157 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H22 compound treatment 0.536 0.0691 2.17 0.507 0.0493 1.46 2.5701 0.9814 3069504 PK04_102158 O[C@H](CC=C)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H23 compound treatment 0.471 0.00409 0.13 0.457 -6.56E-4 -0.02 0.0773 0.5936 3188763 PK04_102159 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 H24 compound treatment 0.488 0.0211 0.66 0.478 0.0203 0.6 0.8953 0.9989 3069401 PK04_102160 CO[C@H](C=C)[C@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I01 compound treatment 0.52 0.0531 1.67 0.486 0.0283 0.84 1.7744 0.9495 3069507 PK04_102161 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I02 compound treatment 0.461 -0.00591 -0.19 0.457 -6.56E-4 -0.02 -0.1451 -0.7769 3188764 PK04_102162 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7ccccc7Oc8ccccc68 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I03 compound treatment 0.46 -0.00691 -0.22 0.474 0.0163 0.48 0.1889 0.3559 3188765 PK04_102163 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I04 compound treatment 0.767 0.3 9.44 0.49 0.0323 0.96 7.3499 0.7749 3069594 PK04_102164 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(NC(=O)C)c4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I05 mock treatment 0.47 0.00309 0.1 0.463 0.00534 0.16 0.1808 0.9726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I06 mock treatment 0.47 0.00309 0.1 0.448 -0.00966 -0.29 -0.1335 -0.4419 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I07 compound treatment 0.462 -0.00491 -0.15 0.456 -0.00166 -0.05 -0.1438 -0.8882 3188766 PK04_102165 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I08 compound treatment 0.463 -0.00391 -0.12 0.45 -0.00766 -0.23 -0.2473 -0.9585 3188767 PK04_102166 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I09 compound treatment 0.464 -0.00291 -0.09 0.458 3.44E-4 0.01 -0.0574 -0.6244 3069598 PK04_102167 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I10 compound treatment 0.513 0.0461 1.45 0.503 0.0453 1.34 1.9749 0.9993 3188768 PK04_102168 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I11 compound treatment 0.508 0.0411 1.29 0.51 0.0523 1.55 2.0104 0.9959 3188769 PK04_102169 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I12 compound treatment 0.474 0.00709 0.22 0.474 0.0163 0.48 0.5002 0.9381 3069636 PK04_102170 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I13 compound treatment 0.504 0.0371 1.17 0.481 0.0233 0.69 1.3139 0.9689 3188770 PK04_102171 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I14 compound treatment 0.492 0.0251 0.79 0.487 0.0293 0.87 1.1728 0.9988 3188771 PK04_102172 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I15 compound treatment 0.504 0.0371 1.17 0.478 0.0203 0.6 1.251 0.9528 3069640 PK04_102173 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I16 compound treatment 0.458 -0.00891 -0.28 0.46 0.00234 0.07 -0.1489 -0.5161 3188888 PK04_102174 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I17 compound treatment 0.483 0.0161 0.51 0.486 0.0283 0.84 0.9517 0.9706 3069645 PK04_102175 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I18 compound treatment 0.455 -0.0119 -0.37 0.448 -0.00966 -0.29 -0.467 -0.9912 3188889 PK04_102176 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I19 compound treatment 0.473 0.00609 0.19 0.465 0.00734 0.22 0.2894 0.998 3069647 PK04_102177 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I20 compound treatment 0.472 0.00509 0.16 0.457 -6.56E-4 -0.02 0.0995 0.6167 3188890 PK04_102178 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I21 mock treatment 0.455 -0.0119 -0.37 0.433 -0.0247 -0.73 -0.7813 -0.9518 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I22 mock treatment 0.462 -0.00491 -0.15 0.446 -0.0117 -0.35 -0.3533 -0.934 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I23 compound treatment 0.502 0.0351 1.1 0.499 0.0413 1.23 1.6465 0.9986 3188891 PK04_102179 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 I24 compound treatment 0.503 0.0361 1.13 0.496 0.0383 1.14 1.6059 1.0 3069706 PK04_102180 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N(C=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J01 compound treatment 0.472 0.00509 0.16 0.474 0.0163 0.48 0.4557 0.8934 3188892 PK04_102181 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J02 compound treatment 0.461 -0.00591 -0.19 0.465 0.00734 0.22 0.0226 0.0788 3069707 PK04_102182 CSc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J03 compound treatment 0.458 -0.00891 -0.28 0.447 -0.0107 -0.32 -0.4213 -0.9982 3188893 PK04_102183 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J04 compound treatment 0.469 0.00209 0.07 0.454 -0.00366 -0.11 -0.0301 -0.2371 3069711 PK04_102184 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J05 mock treatment 0.458 -0.00891 -0.28 0.458 3.44E-4 0.01 -0.1908 -0.6809 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J06 mock treatment 0.467 9.38E-5 0.0 0.46 0.00234 0.07 0.0512 0.7365 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J07 compound treatment 0.451 -0.0159 -0.5 0.447 -0.0107 -0.32 -0.5769 -0.9754 3188894 PK04_102185 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J08 compound treatment 0.521 0.0541 1.7 0.495 0.0373 1.11 1.9852 0.9783 3069714 PK04_102186 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J09 compound treatment 0.458 -0.00891 -0.28 0.443 -0.0147 -0.43 -0.5051 -0.9775 3188895 PK04_102187 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J10 compound treatment 0.455 -0.0119 -0.37 0.46 0.00234 0.07 -0.2156 -0.5663 3069716 PK04_102188 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J11 compound treatment 0.477 0.0101 0.32 0.466 0.00834 0.25 0.3992 0.9924 3188896 PK04_102189 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J12 compound treatment 0.535 0.0681 2.14 0.522 0.0643 1.91 2.8622 0.9983 3069744 PK04_102190 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J13 compound treatment 0.452 -0.0149 -0.47 0.435 -0.0227 -0.67 -0.8061 -0.9846 3188897 PK04_102191 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J14 compound treatment 0.459 -0.00791 -0.25 0.459 0.00134 0.04 -0.1476 -0.5864 3069746 PK04_102192 OCCOc1ccc(cc1)[C@@H](O)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J15 compound treatment 0.495 0.0281 0.88 0.491 0.0333 0.99 1.3233 0.9984 3069749 PK04_102193 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J16 compound treatment 0.466 -9.06E-4 -0.03 0.454 -0.00366 -0.11 -0.0968 -0.8637 3188898 PK04_102194 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J17 compound treatment 0.469 0.00209 0.07 0.455 -0.00266 -0.08 -0.0091 -0.0887 3188899 PK04_102195 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N5CCC[C@H]5CO)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J18 compound treatment 0.501 0.0341 1.07 0.499 0.0413 1.23 1.6243 0.9978 3069504 PK04_102196 O[C@H](CC=C)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J19 compound treatment 0.469 0.00209 0.07 0.426 -0.0317 -0.94 -0.6167 -0.6559 3188900 PK04_102197 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J20 compound treatment 0.521 0.0541 1.7 0.504 0.0463 1.37 2.1737 0.9944 3069264 PK04_102198 C[C@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J21 mock treatment 0.47 0.00309 0.1 0.45 -0.00766 -0.23 -0.0916 -0.3712 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J22 mock treatment 0.46 -0.00691 -0.22 0.455 -0.00266 -0.08 -0.2092 -0.9057 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J23 compound treatment 0.503 0.0361 1.13 0.476 0.0183 0.54 1.1869 0.9432 3069786 PK04_102199 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 J24 compound treatment 0.478 0.0111 0.35 0.473 0.0153 0.45 0.5682 0.9914 3188901 PK04_102200 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K01 compound treatment 0.501 0.0341 1.07 0.485 0.0273 0.81 1.331 0.9905 3069787 PK04_102201 COc1ccc(cc1)[Si](C)(C)[C@@H](CCn2cc(CCO)nn2)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K02 compound treatment 0.516 0.0491 1.54 0.499 0.0413 1.23 1.9578 0.9934 3188902 PK04_102202 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K03 compound treatment 0.501 0.0341 1.07 0.489 0.0313 0.93 1.4148 0.9974 3188903 PK04_102203 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K04 compound treatment 0.466 -9.06E-4 -0.03 0.462 0.00434 0.13 0.0709 0.5375 3069790 PK04_102204 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K05 compound treatment 0.483 0.0161 0.51 0.473 0.0153 0.45 0.6793 0.9986 3188904 PK04_102205 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K06 compound treatment 0.501 0.0341 1.07 0.506 0.0483 1.43 1.771 0.9898 3189012 PK04_102206 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K07 mock treatment 0.479 0.0121 0.38 0.472 0.0143 0.43 0.5694 0.9985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K08 mock treatment 0.455 -0.0119 -0.37 0.461 0.00334 0.1 -0.1947 -0.5027 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K09 compound treatment 0.471 0.00409 0.13 0.462 0.00434 0.13 0.182 1.0 3069821 PK04_102207 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K10 compound treatment 0.47 0.00309 0.1 0.463 0.00534 0.16 0.1808 0.9726 3189013 PK04_102208 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)C)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K11 compound treatment 0.513 0.0461 1.45 0.507 0.0493 1.46 2.0587 1.0 3069825 PK04_102209 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K12 compound treatment 0.495 0.0281 0.88 0.484 0.0263 0.78 1.1766 0.9981 3189014 PK04_102210 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K13 compound treatment 0.485 0.0181 0.57 0.468 0.0103 0.31 0.619 0.9579 3189015 PK04_102211 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K14 compound treatment 0.469 0.00209 0.07 0.467 0.00934 0.28 0.2423 0.8515 3069831 PK04_102212 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCOC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K15 mock treatment 0.46 -0.00691 -0.22 0.463 0.00534 0.16 -0.0416 -0.1547 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K16 mock treatment 0.469 0.00209 0.07 0.454 -0.00366 -0.11 -0.0301 -0.2371 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K17 compound treatment 0.501 0.0341 1.07 0.496 0.0383 1.14 1.5614 0.9996 3189016 PK04_102213 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)COc6ccccc56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K18 compound treatment 0.463 -0.00391 -0.12 0.455 -0.00266 -0.08 -0.1425 -0.9769 3069867 PK04_102214 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K19 compound treatment 0.45 -0.0169 -0.53 0.449 -0.00866 -0.26 -0.5573 -0.9441 3189017 PK04_102215 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K20 compound treatment 0.45 -0.0169 -0.53 0.448 -0.00966 -0.29 -0.5782 -0.9578 3069873 PK04_102216 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K21 compound treatment 0.492 0.0251 0.79 0.483 0.0253 0.75 1.089 0.9997 3189018 PK04_102217 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5C(=O)c6cccc7cccc5c67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K22 compound treatment 0.5 0.0331 1.04 0.477 0.0193 0.57 1.1411 0.9605 3189019 PK04_102218 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(CCO)nn5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K23 mock treatment 0.456 -0.0109 -0.34 0.449 -0.00866 -0.26 -0.4239 -0.9898 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 K24 mock treatment 0.481 0.0141 0.44 0.473 0.0153 0.45 0.6349 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L01 compound treatment 0.522 0.0551 1.73 0.509 0.0513 1.52 2.3007 0.9979 3069879 PK04_102219 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L02 compound treatment 0.448 -0.0189 -0.59 0.457 -6.56E-4 -0.02 -0.4341 -0.7298 3189020 PK04_102220 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L03 compound treatment 0.489 0.0221 0.69 0.465 0.00734 0.22 0.6451 0.8861 3189021 PK04_102221 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L04 compound treatment 0.463 -0.00391 -0.12 0.454 -0.00366 -0.11 -0.1635 -0.998 3069907 PK04_102222 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L05 compound treatment 0.461 -0.00591 -0.19 0.458 3.44E-4 0.01 -0.1241 -0.6673 3189022 PK04_102223 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L06 compound treatment 0.506 0.0391 1.23 0.494 0.0363 1.08 1.6307 0.9978 3069909 PK04_102224 C[C@@H](C=C)[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L07 mock treatment 0.461 -0.00591 -0.19 0.446 -0.0117 -0.35 -0.3755 -0.9577 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L08 mock treatment 0.469 0.00209 0.07 0.443 -0.0147 -0.43 -0.2605 -0.5931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L09 compound treatment 0.473 0.00609 0.19 0.472 0.0143 0.43 0.436 0.9352 3189023 PK04_102225 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L10 compound treatment 0.463 -0.00391 -0.12 0.46 0.00234 0.07 -0.0377 -0.2675 3069912 PK04_102226 COc1ccc(NC(=O)O[C@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L11 compound treatment 0.49 0.0231 0.73 0.474 0.0163 0.48 0.8559 0.9806 3189024 PK04_102227 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L12 compound treatment 0.457 -0.00991 -0.31 0.457 -6.56E-4 -0.02 -0.234 -0.7498 3069746 PK04_102228 OCCOc1ccc(cc1)[C@@H](O)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L13 compound treatment 0.47 0.00309 0.1 0.472 0.0143 0.43 0.3693 0.847 3069917 PK04_102229 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L14 compound treatment 0.473 0.00609 0.19 0.466 0.00834 0.25 0.3103 0.9921 3069920 PK04_102230 O[C@@H](CC=C)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L15 mock treatment 0.473 0.00609 0.19 0.451 -0.00666 -0.2 -0.004 -0.0145 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L16 mock treatment 0.467 9.38E-5 0.0 0.455 -0.00266 -0.08 -0.0536 -0.6801 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L17 compound treatment 0.467 9.38E-5 0.0 0.446 -0.0117 -0.35 -0.2421 -0.701 3189025 PK04_102231 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L18 compound treatment 0.455 -0.0119 -0.37 0.453 -0.00466 -0.14 -0.3623 -0.908 3069953 PK04_102232 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L19 compound treatment 0.485 0.0181 0.57 0.48 0.0223 0.66 0.8705 0.9971 3189026 PK04_102233 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L20 compound treatment 0.469 0.00209 0.07 0.455 -0.00266 -0.08 -0.0091 -0.0887 3069956 PK04_102234 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L21 compound treatment 0.464 -0.00291 -0.09 0.455 -0.00266 -0.08 -0.1203 -0.9972 3189027 PK04_102235 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L22 compound treatment 0.463 -0.00391 -0.12 0.461 0.00334 0.1 -0.0168 -0.1064 3069961 PK04_102236 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L23 mock treatment 0.461 -0.00591 -0.19 0.458 3.44E-4 0.01 -0.1241 -0.6673 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 L24 mock treatment 0.478 0.0111 0.35 0.473 0.0153 0.45 0.5682 0.9914 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M01 compound treatment 0.532 0.0651 2.05 0.537 0.0793 2.35 3.1098 0.9976 3069962 PK04_102237 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M02 compound treatment 0.517 0.0501 1.58 0.514 0.0563 1.67 2.2943 0.9996 3188628 PK04_102238 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M03 compound treatment 0.509 0.0421 1.32 0.505 0.0473 1.4 1.9279 0.9996 3189028 PK04_102239 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6c3cc(C)cc6Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M04 compound treatment 0.51 0.0431 1.36 0.506 0.0483 1.43 1.9711 0.9996 3189141 PK04_102240 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCCCC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M05 compound treatment 0.52 0.0531 1.67 0.512 0.0543 1.61 2.3191 0.9998 3069277 PK04_102241 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M06 compound treatment 0.516 0.0491 1.54 0.501 0.0433 1.28 1.9997 0.9958 3189142 PK04_102242 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(CCO)nn5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M07 compound treatment 0.522 0.0551 1.73 0.501 0.0433 1.28 2.1331 0.9892 3189143 PK04_102243 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N4c5c3cc(OC)cc5C(=CC4(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M08 compound treatment 0.516 0.0491 1.54 0.501 0.0433 1.28 1.9997 0.9958 3069284 PK04_102244 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)[C@H](C)O)cc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M09 mock treatment 0.478 0.0111 0.35 0.46 0.00234 0.07 0.2958 0.8316 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M10 mock treatment 0.458 -0.00891 -0.28 0.443 -0.0147 -0.43 -0.5051 -0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M11 compound treatment 0.466 -9.06E-4 -0.03 0.455 -0.00266 -0.08 -0.0758 -0.9056 3189144 PK04_102245 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M12 compound treatment 0.48 0.0131 0.41 0.454 -0.00366 -0.11 0.2145 0.5039 3189145 PK04_102246 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M13 mock treatment 0.465 -0.00191 -0.06 0.464 0.00634 0.19 0.0905 0.4589 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M14 mock treatment 0.473 0.00609 0.19 0.458 3.44E-4 0.01 0.1427 0.7436 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M15 compound treatment 0.52 0.0531 1.67 0.495 0.0373 1.11 1.9629 0.9801 3189146 PK04_102247 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M16 compound treatment 0.468 0.00109 0.03 0.468 0.0103 0.31 0.241 0.7815 3189147 PK04_102248 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M17 compound treatment 0.505 0.0381 1.2 0.486 0.0283 0.84 1.4409 0.9849 3069327 PK04_102249 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M18 compound treatment 0.487 0.0201 0.63 0.467 0.00934 0.28 0.6425 0.9315 3189148 PK04_102250 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5CCOC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M19 compound treatment 0.464 -0.00291 -0.09 0.443 -0.0147 -0.43 -0.3717 -0.8376 3069330 PK04_102251 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M20 compound treatment 0.518 0.0511 1.61 0.513 0.0553 1.64 2.2956 0.9999 3189149 PK04_102252 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCCCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M21 compound treatment 0.481 0.0141 0.44 0.479 0.0213 0.63 0.7606 0.9849 3189150 PK04_102253 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)c6ccccc6Oc7ccccc57)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M22 compound treatment 0.453 -0.0139 -0.44 0.457 -6.56E-4 -0.02 -0.3229 -0.7378 3189151 PK04_102254 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCOC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M23 compound treatment 0.5 0.0331 1.04 0.464 0.00634 0.19 0.8687 0.8215 3189152 PK04_102255 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 M24 compound treatment 0.528 0.0611 1.92 0.514 0.0563 1.67 2.5389 0.9976 3069375 PK04_102256 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)c5ccc(OC)cc5)c6ccccc36)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N01 compound treatment 0.498 0.0311 0.98 0.511 0.0533 1.58 1.809 0.9733 3189153 PK04_102257 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N02 compound treatment 0.446 -0.0209 -0.66 0.46 0.00234 0.07 -0.4157 -0.6289 3069379 PK04_102258 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N03 compound treatment 0.472 0.00509 0.16 0.461 0.00334 0.1 0.1833 0.9733 3189154 PK04_102259 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6ccc(cc6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N04 compound treatment 0.465 -0.00191 -0.06 0.451 -0.00666 -0.2 -0.1818 -0.8822 3069716 PK04_102260 CO[C@@H](C=C)[C@@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N05 compound treatment 0.486 0.0191 0.6 0.464 0.00634 0.19 0.5574 0.8861 3069403 PK04_102261 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6CCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N06 compound treatment 0.479 0.0121 0.38 0.452 -0.00566 -0.17 0.1504 0.3619 3069417 PK04_102262 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N07 compound treatment 0.465 -0.00191 -0.06 0.465 0.00734 0.22 0.1115 0.4939 3189155 PK04_102263 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([C@@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N08 compound treatment 0.471 0.00409 0.13 0.465 0.00734 0.22 0.2449 0.9686 3069421 PK04_102264 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N09 mock treatment 0.447 -0.0199 -0.63 0.439 -0.0187 -0.55 -0.8335 -0.9981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N10 mock treatment 0.469 0.00209 0.07 0.458 3.44E-4 0.01 0.0538 0.8069 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N11 compound treatment 0.484 0.0171 0.54 0.488 0.0303 0.9 1.0158 0.9697 3189156 PK04_102265 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5Cc6ccccc6C[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c7ccc(OC)cc7)c8ccccc38)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N12 compound treatment 0.492 0.0251 0.79 0.483 0.0253 0.75 1.089 0.9997 3069424 PK04_102266 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N13 mock treatment 0.463 -0.00391 -0.12 0.45 -0.00766 -0.23 -0.2473 -0.9585 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N14 mock treatment 0.462 -0.00491 -0.15 0.452 -0.00566 -0.17 -0.2276 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N15 compound treatment 0.51 0.0431 1.36 0.498 0.0403 1.2 1.8035 0.998 3189268 PK04_102267 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)c8cccc9cccc7c89)c%10ccccc%103 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N16 compound treatment 0.458 -0.00891 -0.28 0.445 -0.0127 -0.38 -0.4632 -0.9897 3069404 PK04_102268 C[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N17 compound treatment 0.493 0.0261 0.82 0.475 0.0173 0.51 0.9436 0.9746 3069428 PK04_102269 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N18 compound treatment 0.466 -9.06E-4 -0.03 0.471 0.0133 0.4 0.2594 0.6544 3189269 PK04_102270 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N19 compound treatment 0.478 0.0111 0.35 0.471 0.0133 0.4 0.5262 0.998 3070277 PK04_102271 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N20 compound treatment 0.474 0.00709 0.22 0.465 0.00734 0.22 0.3116 0.9999 3069270 PK04_102272 CO[C@@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N21 compound treatment 0.48 0.0131 0.41 0.464 0.00634 0.19 0.424 0.9369 3070278 PK04_102273 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5CCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N22 compound treatment 0.498 0.0311 0.98 0.498 0.0403 1.2 1.5366 0.995 3070279 PK04_102274 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N23 compound treatment 0.47 0.00309 0.1 0.47 0.0123 0.37 0.3274 0.8651 3070280 PK04_102275 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 N24 compound treatment 0.48 0.0131 0.41 0.483 0.0253 0.75 0.8221 0.96 3189270 PK04_102276 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O01 compound treatment 0.498 0.0311 0.98 0.504 0.0463 1.37 1.6624 0.9861 3189271 PK04_102277 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(c5ccccc53)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O02 compound treatment 0.497 0.0301 0.95 0.493 0.0353 1.05 1.4096 0.9987 3070281 PK04_102278 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N(C=O)c5ccccc5)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O03 compound treatment 0.458 -0.00891 -0.28 0.465 0.00734 0.22 -0.0441 -0.1245 3189272 PK04_102279 COc1ccc(cc1)[Si](C)(C)[C@@H](CC(=O)N2CCC[C@H]2CO)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O04 compound treatment 0.513 0.0461 1.45 0.512 0.0543 1.61 2.1635 0.9986 3189273 PK04_102280 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(NC(=O)[C@H](C)O)c4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O05 compound treatment 0.523 0.0561 1.76 0.513 0.0553 1.64 2.4068 0.9993 3070282 PK04_102281 COc1ccc(cc1)[Si](C)(C)[C@H](CC(=O)N(CCO)Cc2ccccc2)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O06 compound treatment 0.617 0.15 4.72 0.517 0.0593 1.76 4.5806 0.9095 3189274 PK04_102282 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6cccc7cccc5c67 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O07 compound treatment 0.521 0.0541 1.7 0.517 0.0593 1.76 2.4461 0.9999 3070283 PK04_102283 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O08 compound treatment 0.486 0.0191 0.6 0.471 0.0133 0.4 0.7041 0.9795 3189275 PK04_102284 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N(C=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O09 compound treatment 0.516 0.0491 1.54 0.506 0.0483 1.43 2.1045 0.9993 3189276 PK04_102285 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O10 compound treatment 0.488 0.0211 0.66 0.484 0.0263 0.78 1.021 0.9967 3070284 PK04_102286 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O11 mock treatment 0.498 0.0311 0.98 0.478 0.0203 0.6 1.1176 0.973 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O12 mock treatment 0.48 0.0131 0.41 0.47 0.0123 0.37 0.5498 0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O13 compound treatment 0.525 0.0581 1.83 0.521 0.0633 1.88 2.6189 0.9999 3189277 PK04_102287 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(C)c4ccccc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O14 compound treatment 0.513 0.0461 1.45 0.511 0.0533 1.58 2.1425 0.9991 3189278 PK04_102288 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(NC(=O)[C@H](C)O)cc43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O15 compound treatment 0.546 0.0791 2.49 0.538 0.0803 2.38 3.442 0.9998 3070285 PK04_102289 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(c4ccccc43)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O16 compound treatment 0.53 0.0631 1.98 0.521 0.0633 1.88 2.73 0.9996 3189279 PK04_102290 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@]4(O[C@H](CCn5cc(nn5)[C@H](O)c6ccccc6)[C@H]([C@@H]4C)[Si](C)(C)c7ccc(OC)cc7)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O17 compound treatment 0.521 0.0541 1.7 0.508 0.0503 1.49 2.2576 0.9979 3070286 PK04_102291 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(CC=C)c6ccc(cc63)N7C(=O)c8cccc9cccc7c89 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O18 compound treatment 0.52 0.0531 1.67 0.513 0.0553 1.64 2.3401 1.0 3189280 PK04_102292 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCCCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O19 compound treatment 0.541 0.0741 2.33 0.53 0.0723 2.14 3.1632 0.9991 3189281 PK04_102293 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O20 compound treatment 0.533 0.0661 2.08 0.526 0.0683 2.03 2.9015 0.9999 3070287 PK04_102294 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccc(cc4)N5CCCCC5=O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O21 compound treatment 0.497 0.0301 0.95 0.496 0.0383 1.14 1.4725 0.9959 3189282 PK04_102295 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4cccc(c4)N5C(=O)COc6ccccc56)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O22 compound treatment 0.538 0.0711 2.24 0.526 0.0683 2.03 3.0127 0.9988 3070288 PK04_102296 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(cc43)N5C(=O)c6ccccc6Oc7ccccc57 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O23 compound treatment 0.543 0.0761 2.39 0.537 0.0793 2.35 3.3543 1.0 3189283 PK04_102297 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(CC=C)c5ccc(cc53)N6C(=O)c7cccc8cccc6c78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 O24 compound treatment 0.533 0.0661 2.08 0.525 0.0673 2.0 2.8806 0.9998 3189284 PK04_102298 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(Cc4ccc(NC(=O)C)cc4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P01 compound treatment 0.556 0.0891 2.8 0.551 0.0933 2.77 3.9367 1.0 3070289 PK04_102299 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(CCO)nn4)C(=O)N(Cc5ccc(cc5)N6CCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P02 compound treatment 0.491 0.0241 0.76 0.488 0.0303 0.9 1.1715 0.9964 3069953 PK04_102300 CO[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P03 compound treatment 0.481 0.0141 0.44 0.477 0.0193 0.57 0.7187 0.9919 3189285 PK04_102301 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4Cc5ccccc5C[C@H]4CO)C(=O)N(Cc6cccc(c6)N7C(=O)COc8ccccc78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P04 compound treatment 0.565 0.0981 3.08 0.564 0.106 3.15 4.4092 0.9999 3070290 PK04_102302 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P05 compound treatment 0.539 0.0721 2.27 0.536 0.0783 2.32 3.2444 0.9999 3189394 PK04_102303 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(CCO)nn4)C(=O)N(C)c5c3cc(C)cc5Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P06 compound treatment 0.494 0.0271 0.85 0.479 0.0213 0.63 1.0496 0.9892 3069907 PK04_102304 C[C@H](C=C)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P07 compound treatment 0.483 0.0161 0.51 0.473 0.0153 0.45 0.6793 0.9986 3189395 PK04_102305 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(Cc6cccc(c6)N7CCC7=O)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P08 compound treatment 0.494 0.0271 0.85 0.493 0.0353 1.05 1.3429 0.9948 3069314 PK04_102306 CO[C@H](C=C)[C@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P09 compound treatment 0.494 0.0271 0.85 0.496 0.0383 1.14 1.4058 0.9899 3070291 PK04_102307 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6CCCCC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P10 compound treatment 0.48 0.0131 0.41 0.472 0.0143 0.43 0.5917 0.9999 3189396 PK04_102308 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P11 mock treatment 0.487 0.0201 0.63 0.461 0.00334 0.1 0.5168 0.8081 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P12 mock treatment 0.507 0.0401 1.26 0.495 0.0373 1.11 1.6739 0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P13 compound treatment 0.499 0.0321 1.01 0.502 0.0443 1.31 1.6427 0.9915 3189397 PK04_102309 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N(CCO)Cc4ccccc4)C(=O)N(Cc5cccc(c5)N6C(=O)c7cccc8cccc6c78)c9ccccc93 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P14 compound treatment 0.497 0.0301 0.95 0.49 0.0323 0.96 1.3468 1.0 3070292 PK04_102310 OCCOc1ccc(cc1)[C@H](O)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P15 compound treatment 0.512 0.0451 1.42 0.487 0.0293 0.87 1.6174 0.9724 3070293 PK04_102311 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@@H]([C@H]4C)[Si](C)(C)c6ccc(OC)cc6)c7ccccc37)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P16 compound treatment 0.5 0.0331 1.04 0.476 0.0183 0.54 1.1202 0.9541 3070292 PK04_102312 OCCOc1ccc(cc1)[C@H](O)CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P17 compound treatment 0.541 0.0741 2.33 0.489 0.0313 0.93 2.3041 0.9187 3189398 PK04_102313 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5ccc(cc5)N6CCOC6=O)c7ccccc73 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P18 compound treatment 0.551 0.0841 2.64 0.526 0.0683 2.03 3.3017 0.9913 3070294 PK04_102314 CO[C@@H](C=C)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P19 compound treatment 0.523 0.0561 1.76 0.497 0.0393 1.17 2.0715 0.9798 3189399 PK04_102315 COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CC(=O)N4CCC[C@H]4CO)C(=O)N(Cc5cccc(c5)N6C(=O)COc7ccccc67)c8ccccc83 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P20 compound treatment 0.556 0.0891 2.8 0.553 0.0953 2.83 3.9786 1.0 3070290 PK04_102316 C[C@@H](C=C)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P21 compound treatment 0.512 0.0451 1.42 0.508 0.0503 1.49 2.0574 0.9997 3189400 PK04_102317 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccc(cc53)N6CCC6=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P22 compound treatment 0.497 0.0301 0.95 0.506 0.0483 1.43 1.682 0.9797 3070295 PK04_102318 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P23 compound treatment 0.549 0.0821 2.58 0.54 0.0823 2.44 3.5506 0.9996 3189401 PK04_102319 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCn4cc(nn4)[C@H](O)c5ccccc5)C(=O)N(C)c6c3cc(C)cc6Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2102 P24 compound treatment 0.531 0.0641 2.02 0.531 0.0733 2.17 2.9618 0.9993 3414053 PK04_102320 OCCCOc1ccc(cc1)C2=N[C@](Cc3ccccc3)([C@H](O2)c4ccccc4)C(=O)NO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A01 compound treatment 0.487 0.0329 1.03 0.5 0.0529 1.57 1.838 0.9796 3221174 PK04_130001 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A02 compound treatment 0.488 0.0339 1.06 0.477 0.0299 0.88 1.3783 0.9958 3211805 PK04_130002 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A03 compound treatment 0.466 0.0119 0.37 0.478 0.0309 0.91 0.9101 0.9217 3221177 PK04_130003 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccccc4F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A04 compound treatment 0.464 0.00985 0.31 0.471 0.0239 0.71 0.719 0.9314 3080218 PK04_130004 OCCC[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A05 compound treatment 0.47 0.0159 0.5 0.467 0.0199 0.59 0.7686 0.9966 3221180 PK04_130005 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A06 compound treatment 0.467 0.0129 0.4 0.463 0.0159 0.47 0.6181 0.9972 3211801 PK04_130006 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A07 compound treatment 0.478 0.0239 0.75 0.434 -0.0131 -0.39 0.255 0.3018 3221183 PK04_130007 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A08 compound treatment 0.474 0.0199 0.62 0.449 0.00186 0.06 0.4804 0.7666 3080220 PK04_130008 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A09 compound treatment 0.485 0.0309 0.97 0.459 0.0119 0.35 0.9345 0.9057 3221185 PK04_130009 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccc(O)cc2)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A10 compound treatment 0.464 0.00985 0.31 0.455 0.00786 0.23 0.3838 0.9901 3080222 PK04_130010 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A11 compound treatment 0.496 0.0419 1.32 0.484 0.0369 1.09 1.7029 0.9957 3221188 PK04_130011 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A12 compound treatment 0.461 0.00685 0.22 0.454 0.00686 0.2 0.2961 0.9996 3211814 PK04_130012 C[C@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A13 mock treatment 0.472 0.0179 0.56 0.454 0.00686 0.2 0.5407 0.9056 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A14 mock treatment 0.463 0.00885 0.28 0.45 0.00286 0.08 0.2568 0.8824 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A15 compound treatment 0.505 0.0509 1.6 0.476 0.0289 0.86 1.7353 0.957 3221191 PK04_130013 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A16 compound treatment 0.451 -0.00315 -0.1 0.447 -1.4E-4 0.0 -0.0729 -0.736 3080206 PK04_130014 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A17 compound treatment 0.472 0.0179 0.56 0.454 0.00686 0.2 0.5407 0.9056 3221194 PK04_130015 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A18 compound treatment 0.463 0.00885 0.28 0.461 0.0139 0.41 0.4872 0.982 3211690 PK04_130016 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A19 compound treatment 0.492 0.0379 1.19 0.494 0.0469 1.39 1.8235 0.9971 3221197 PK04_130017 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A20 compound treatment 0.438 -0.0161 -0.51 0.426 -0.0211 -0.63 -0.802 -0.9946 3189020 PK04_130018 C[C@@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A21 compound treatment 0.468 0.0139 0.44 0.466 0.0189 0.56 0.7032 0.9924 2019329 PK04_130019 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCCCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A22 compound treatment 0.462 0.00785 0.25 0.454 0.00686 0.2 0.3183 0.9953 3080190 PK04_130020 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A23 compound treatment 0.445 -0.00915 -0.29 0.421 -0.0261 -0.77 -0.7511 -0.909 3221200 PK04_130021 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 A24 compound treatment 0.445 -0.00915 -0.29 0.47 0.0229 0.68 0.2756 0.3745 3211695 PK04_130022 CO[C@@H](CCO)[C@@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B01 compound treatment 0.484 0.0299 0.94 0.478 0.0309 0.91 1.3103 0.9999 3176327 PK04_130023 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B02 compound treatment 0.453 -0.00115 -0.04 0.456 0.00886 0.26 0.1601 0.6042 3221203 PK04_130024 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B03 compound treatment 0.437 -0.0171 -0.54 0.438 -0.00914 -0.27 -0.5728 -0.9493 3052745 PK04_130025 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B04 compound treatment 0.434 -0.0201 -0.63 0.427 -0.0201 -0.6 -0.8699 -0.9996 3221205 PK04_130026 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B05 compound treatment 0.459 0.00485 0.15 0.443 -0.00414 -0.12 0.0212 0.108 3176512 PK04_130027 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B06 compound treatment 0.453 -0.00115 -0.04 0.433 -0.0141 -0.42 -0.3218 -0.7652 3221207 PK04_130028 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B07 compound treatment 0.443 -0.0111 -0.35 0.429 -0.0181 -0.54 -0.6279 -0.9785 3176123 PK04_130029 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B08 compound treatment 0.456 0.00185 0.06 0.448 8.6E-4 0.03 0.0592 0.9313 3221209 PK04_130030 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B09 compound treatment 0.576 0.122 3.83 0.547 0.0999 2.96 4.8016 0.9918 3052645 PK04_130031 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B10 compound treatment 0.435 -0.0191 -0.6 0.425 -0.0221 -0.66 -0.8896 -0.9991 3221211 PK04_130032 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B11 compound treatment 0.699 0.245 7.7 0.621 0.174 5.15 9.0869 0.9809 3052831 PK04_130033 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B12 compound treatment 0.438 -0.0161 -0.51 0.434 -0.0131 -0.39 -0.6343 -0.9914 3221213 PK04_130034 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B13 mock treatment 0.449 -0.00515 -0.16 0.435 -0.0121 -0.36 -0.3688 -0.935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B14 mock treatment 0.46 0.00585 0.18 0.436 -0.0111 -0.33 -0.1033 -0.2733 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B15 compound treatment 0.444 -0.0101 -0.32 0.44 -0.00714 -0.21 -0.3752 -0.9801 3176778 PK04_130035 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B16 compound treatment 0.466 0.0119 0.37 0.452 0.00486 0.14 0.3654 0.9145 3221214 PK04_130036 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B17 compound treatment 0.467 0.0129 0.4 0.452 0.00486 0.14 0.3876 0.9035 3176195 PK04_130037 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B18 compound treatment 0.458 0.00385 0.12 0.452 0.00486 0.14 0.1875 0.9963 3221216 PK04_130038 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B19 compound treatment 0.431 -0.0231 -0.73 0.427 -0.0201 -0.6 -0.9366 -0.9951 3052584 PK04_130039 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B20 compound treatment 0.453 -0.00115 -0.04 0.39 -0.0571 -1.69 -1.2227 -0.722 3221218 PK04_130040 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B21 compound treatment 0.451 -0.00315 -0.1 0.437 -0.0101 -0.3 -0.2824 -0.8928 3176736 PK04_130041 CN(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B22 compound treatment 0.489 0.0349 1.1 0.469 0.0219 0.65 1.2329 0.9685 3221220 PK04_130042 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B23 compound treatment 0.457 0.00285 0.09 0.436 -0.0111 -0.33 -0.17 -0.497 3052927 PK04_130043 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 B24 compound treatment 0.471 0.0169 0.53 0.406 -0.0411 -1.22 -0.4873 -0.3666 3221222 PK04_130044 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C01 compound treatment 0.491 0.0369 1.16 0.485 0.0379 1.12 1.6126 0.9999 3221224 PK04_130045 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccc(Cl)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C02 compound treatment 0.473 0.0189 0.59 0.467 0.0199 0.59 0.8353 1.0 3211914 PK04_130046 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C03 compound treatment 0.441 -0.0131 -0.41 0.452 0.00486 0.14 -0.1905 -0.4351 3221227 PK04_130047 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C04 compound treatment 0.452 -0.00215 -0.07 0.463 0.0159 0.47 0.2846 0.5993 3211809 PK04_130048 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C05 compound treatment 0.464 0.00985 0.31 0.463 0.0159 0.47 0.5514 0.9795 2019446 PK04_130049 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2coc3ccccc3c2=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C06 compound treatment 0.436 -0.0181 -0.57 0.422 -0.0251 -0.74 -0.9302 -0.9913 3069417 PK04_130050 C[C@H](C=C)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C07 compound treatment 0.46 0.00585 0.18 0.439 -0.00814 -0.24 -0.0404 -0.1333 3221230 PK04_130051 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C08 compound treatment 0.43 -0.0241 -0.76 0.413 -0.0341 -1.01 -1.2522 -0.99 3080227 PK04_130052 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C09 compound treatment 0.45 -0.00415 -0.13 0.434 -0.0131 -0.39 -0.3675 -0.8951 3221232 PK04_130053 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C10 compound treatment 0.434 -0.0201 -0.63 0.423 -0.0241 -0.72 -0.9538 -0.9982 3080226 PK04_130054 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C11 mock treatment 0.441 -0.0131 -0.41 0.429 -0.0181 -0.54 -0.6724 -0.9916 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C12 mock treatment 0.438 -0.0161 -0.51 0.439 -0.00814 -0.24 -0.5296 -0.9421 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C13 compound treatment 0.452 -0.00215 -0.07 0.45 0.00286 0.08 0.0122 0.1124 3221235 PK04_130055 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCCCCCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C14 compound treatment 0.474 0.0199 0.62 0.464 0.0169 0.5 0.7947 0.9939 3080272 PK04_130056 OCCC[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C15 mock treatment 0.434 -0.0201 -0.63 0.432 -0.0151 -0.45 -0.7652 -0.9857 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C16 mock treatment 0.446 -0.00815 -0.26 0.435 -0.0121 -0.36 -0.4355 -0.9862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C17 compound treatment 0.435 -0.0191 -0.6 0.44 -0.00714 -0.21 -0.5753 -0.9015 3221238 PK04_130057 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C18 compound treatment 0.482 0.0279 0.88 0.458 0.0109 0.32 0.8468 0.9076 3080228 PK04_130058 OCCC[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C19 compound treatment 0.46 0.00585 0.18 0.459 0.0119 0.35 0.3786 0.9544 2019457 PK04_130059 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C20 compound treatment 0.436 -0.0181 -0.57 0.465 0.0179 0.53 -0.0293 -0.0376 3080205 PK04_130060 OCCC[C@@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C21 compound treatment 0.455 8.52E-4 0.03 0.44 -0.00714 -0.21 -0.1306 -0.6126 3221241 PK04_130061 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C22 compound treatment 0.442 -0.0121 -0.38 0.435 -0.0121 -0.36 -0.5244 -0.9996 3211908 PK04_130062 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C23 compound treatment 0.451 -0.00315 -0.1 0.433 -0.0141 -0.42 -0.3662 -0.8507 2019323 PK04_130063 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 C24 compound treatment 0.456 0.00185 0.06 0.474 0.0269 0.8 0.604 0.7568 3211812 PK04_130064 C[C@@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D01 compound treatment 0.457 0.00285 0.09 0.46 0.0129 0.38 0.3329 0.8503 3175965 PK04_130065 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccc(I)cc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D02 compound treatment 0.486 0.0319 1.0 0.479 0.0319 0.94 1.3758 0.9996 3221243 PK04_130066 COc1cc2c3N(C(=O)[C@@]42O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)C(C)(C)C=C(C)c3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D03 compound treatment 0.432 -0.0221 -0.7 0.433 -0.0141 -0.42 -0.7887 -0.9704 3176379 PK04_130067 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D04 compound treatment 0.452 -0.00215 -0.07 0.431 -0.0161 -0.48 -0.3859 -0.799 3221245 PK04_130068 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(C)c3ccccc32)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D05 compound treatment 0.445 -0.00915 -0.29 0.426 -0.0211 -0.63 -0.6463 -0.9377 3052839 PK04_130069 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D06 compound treatment 0.473 0.0189 0.59 0.442 -0.00514 -0.15 0.3115 0.5089 3221246 PK04_130070 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D07 compound treatment 0.438 -0.0161 -0.51 0.431 -0.0161 -0.48 -0.6972 -0.9996 3176048 PK04_130071 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D08 compound treatment 0.445 -0.00915 -0.29 0.426 -0.0211 -0.63 -0.6463 -0.9377 3221248 PK04_130072 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D09 compound treatment 0.528 0.0739 2.32 0.488 0.0409 1.21 2.4982 0.9539 3175970 PK04_130073 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D10 compound treatment 0.431 -0.0231 -0.73 0.425 -0.0221 -0.66 -0.9785 -0.9987 3221250 PK04_130074 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D11 mock treatment 0.438 -0.0161 -0.51 0.433 -0.0141 -0.42 -0.6553 -0.9954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D12 mock treatment 0.451 -0.00315 -0.1 0.428 -0.0191 -0.57 -0.471 -0.8181 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D13 compound treatment 0.458 0.00385 0.12 0.428 -0.0191 -0.57 -0.3154 -0.5438 3176675 PK04_130075 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D14 compound treatment 0.446 -0.00815 -0.26 0.417 -0.0301 -0.89 -0.8127 -0.8747 3221251 PK04_130076 C[C@@H]1[C@H]([C@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D15 mock treatment 0.428 -0.0261 -0.82 0.429 -0.0181 -0.54 -0.9614 -0.9788 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D16 mock treatment 0.452 -0.00215 -0.07 0.429 -0.0181 -0.54 -0.4278 -0.7897 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D17 compound treatment 0.45 -0.00415 -0.13 0.433 -0.0141 -0.42 -0.3885 -0.8853 3052531 PK04_130077 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D18 compound treatment 0.435 -0.0191 -0.6 0.425 -0.0221 -0.66 -0.8896 -0.9991 3221253 PK04_130078 C[C@H]1[C@@H]([C@@H](CCn2cc(CCO)nn2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D19 compound treatment 0.43 -0.0241 -0.76 0.407 -0.0401 -1.19 -1.3779 -0.9765 3052793 PK04_130079 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D20 compound treatment 0.424 -0.0301 -0.95 0.402 -0.0451 -1.34 -1.6161 -0.9858 3221255 PK04_130080 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D21 compound treatment 0.437 -0.0171 -0.54 0.432 -0.0151 -0.45 -0.6985 -0.9958 3052828 PK04_130081 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D22 compound treatment 0.474 0.0199 0.62 0.464 0.0169 0.5 0.7947 0.9939 3221256 PK04_130082 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D23 compound treatment 0.443 -0.0111 -0.35 0.42 -0.0271 -0.8 -0.8165 -0.9307 3052592 PK04_130083 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 D24 compound treatment 0.478 0.0239 0.75 0.491 0.0439 1.3 1.4493 0.9659 3221257 PK04_130084 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(C)c3c2cc(C)cc3Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E01 mock treatment 0.47 0.0159 0.5 0.458 0.0109 0.32 0.58 0.9776 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E02 mock treatment 0.437 -0.0171 -0.54 0.441 -0.00614 -0.18 -0.5099 -0.8961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E03 compound treatment 0.47 0.0159 0.5 0.463 0.0159 0.47 0.6848 0.9996 2019322 PK04_130085 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc3ccccc3N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E04 compound treatment 0.438 -0.0161 -0.51 0.454 0.00686 0.2 -0.2153 -0.3936 3080210 PK04_130086 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E05 compound treatment 0.466 0.0119 0.37 0.452 0.00486 0.14 0.3654 0.9145 3221259 PK04_130087 OCCCCCCNC(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E06 compound treatment 0.452 -0.00215 -0.07 0.424 -0.0231 -0.69 -0.5326 -0.773 3211802 PK04_130088 OCCC[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E07 compound treatment 0.456 0.00185 0.06 0.416 -0.0311 -0.92 -0.6113 -0.6612 3221261 PK04_130089 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)NCc4ccc(Cl)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E08 compound treatment 0.478 0.0239 0.75 0.428 -0.0191 -0.57 0.1293 0.1375 3080219 PK04_130090 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E09 mock treatment 0.446 -0.00815 -0.26 0.523 0.0759 2.25 1.4083 0.6225 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E10 mock treatment 0.447 -0.00715 -0.22 0.43 -0.0171 -0.51 -0.518 -0.9328 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E11 compound treatment 0.443 -0.0111 -0.35 0.44 -0.00714 -0.21 -0.3974 -0.9708 3221264 PK04_130091 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cc(=O)n(c3ccccc3)n2C)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E12 compound treatment 0.453 -0.00115 -0.04 0.457 0.00986 0.29 0.1811 0.6151 3069920 PK04_130092 O[C@@H](CC=C)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E13 compound treatment 0.444 -0.0101 -0.32 0.444 -0.00314 -0.09 -0.2914 -0.8768 3221266 PK04_130093 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E14 compound treatment 0.443 -0.0111 -0.35 0.423 -0.0241 -0.72 -0.7536 -0.9461 3211678 PK04_130094 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E15 compound treatment 0.439 -0.0151 -0.48 0.455 0.00786 0.23 -0.1721 -0.3246 3221269 PK04_130095 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCOCCOCCOCCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E16 compound treatment 0.496 0.0419 1.32 0.487 0.0399 1.18 1.7657 0.9985 3211906 PK04_130096 CSc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E17 mock treatment 0.443 -0.0111 -0.35 0.491 0.0439 1.3 0.6711 0.4986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E18 mock treatment 0.439 -0.0151 -0.48 0.432 -0.0151 -0.45 -0.654 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E19 compound treatment 0.447 -0.00715 -0.22 0.43 -0.0171 -0.51 -0.518 -0.9328 2019458 PK04_130097 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc2ccccc2O)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E20 compound treatment 0.442 -0.0121 -0.38 0.425 -0.0221 -0.66 -0.734 -0.9669 3211804 PK04_130098 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E21 compound treatment 0.458 0.00385 0.12 0.42 -0.0271 -0.8 -0.483 -0.5939 3221271 PK04_130099 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccccc2F)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E22 compound treatment 0.435 -0.0191 -0.6 0.422 -0.0251 -0.74 -0.9525 -0.9944 3211680 PK04_130100 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E23 compound treatment 0.454 -1.48E-4 0.0 0.447 -1.4E-4 0.0 -0.0062 -0.9983 2019464 PK04_130101 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCCCCCC2)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 E24 compound treatment 0.488 0.0339 1.06 0.474 0.0269 0.8 1.3155 0.9897 3211909 PK04_130102 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F01 mock treatment 0.454 -1.48E-4 0.0 0.458 0.0109 0.32 0.2243 0.6968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F02 mock treatment 0.46 0.00585 0.18 0.446 -0.00114 -0.03 0.1062 0.5679 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F03 compound treatment 0.453 -0.00115 -0.04 0.434 -0.0131 -0.39 -0.3008 -0.7694 3176785 PK04_130103 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F04 compound treatment 0.49 0.0359 1.13 0.463 0.0159 0.47 1.1295 0.9248 3221273 PK04_130104 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5c4cc(C)cc5Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F05 compound treatment 0.464 0.00985 0.31 0.435 -0.0121 -0.36 -0.0353 -0.0744 3176500 PK04_130105 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F06 compound treatment 0.471 0.0169 0.53 0.463 0.0159 0.47 0.707 0.9982 3221274 PK04_130106 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(CC=C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F07 compound treatment 0.459 0.00485 0.15 0.43 -0.0171 -0.51 -0.2512 -0.4738 3052886 PK04_130107 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F08 compound treatment 0.452 -0.00215 -0.07 0.435 -0.0121 -0.36 -0.3021 -0.8254 3221275 PK04_130108 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F09 mock treatment 0.44 -0.0141 -0.44 0.426 -0.0211 -0.63 -0.7575 -0.9859 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F10 mock treatment 0.45 -0.00415 -0.13 0.429 -0.0181 -0.54 -0.4723 -0.8539 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F11 compound treatment 0.463 0.00885 0.28 0.445 -0.00214 -0.06 0.152 0.5324 3052654 PK04_130109 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F12 compound treatment 0.449 -0.00515 -0.16 0.433 -0.0141 -0.42 -0.4107 -0.9144 3221277 PK04_130110 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F13 compound treatment 0.458 0.00385 0.12 0.427 -0.0201 -0.6 -0.3363 -0.5523 3052647 PK04_130111 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F14 compound treatment 0.442 -0.0121 -0.38 0.425 -0.0221 -0.66 -0.734 -0.9669 3221279 PK04_130112 C[C@H]1[C@@H]([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]14C(=O)N(C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F15 compound treatment 0.438 -0.0161 -0.51 0.421 -0.0261 -0.77 -0.9067 -0.979 3176113 PK04_130113 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F16 compound treatment 0.43 -0.0241 -0.76 0.426 -0.0211 -0.63 -0.9798 -0.9954 3221280 PK04_130114 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F17 mock treatment 0.431 -0.0231 -0.73 0.444 -0.00314 -0.09 -0.5804 -0.7911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F18 mock treatment 0.454 -1.48E-4 0.0 0.43 -0.0171 -0.51 -0.3624 -0.7135 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F19 compound treatment 0.439 -0.0151 -0.48 0.442 -0.00514 -0.15 -0.4445 -0.8889 3052888 PK04_130115 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F20 compound treatment 0.466 0.0119 0.37 0.445 -0.00214 -0.06 0.2187 0.5785 3221282 PK04_130116 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(c3ccccc32)c4ccccc4)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F21 compound treatment 0.449 -0.00515 -0.16 0.427 -0.0201 -0.6 -0.5364 -0.8676 3176499 PK04_130117 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F22 compound treatment 0.447 -0.00715 -0.22 0.427 -0.0201 -0.6 -0.5809 -0.911 3221283 PK04_130118 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F23 compound treatment 0.455 8.52E-4 0.03 0.426 -0.0211 -0.63 -0.424 -0.6762 3175968 PK04_130119 CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 F24 compound treatment 0.467 0.0129 0.4 0.459 0.0119 0.35 0.5343 0.9976 3221284 PK04_130120 C[C@@H]1[C@H]([C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G01 compound treatment 0.479 0.0249 0.78 0.477 0.0299 0.88 1.1782 0.9981 2019328 PK04_130121 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)N3CCOCCOCCOCCOCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G02 compound treatment 0.485 0.0309 0.97 0.494 0.0469 1.39 1.6678 0.9846 3211907 PK04_130122 COc1ccc(NC(=O)O[C@@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G03 mock treatment 0.439 -0.0151 -0.48 0.449 0.00186 0.06 -0.2978 -0.6211 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G04 mock treatment 0.432 -0.0221 -0.7 0.454 0.00686 0.2 -0.3487 -0.4806 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G05 compound treatment 0.451 -0.00315 -0.1 0.464 0.0169 0.5 0.2833 0.5562 3221285 PK04_130123 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCCCCCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G06 compound treatment 0.437 -0.0171 -0.54 0.443 -0.00414 -0.12 -0.468 -0.8463 3211815 PK04_130124 COc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G07 compound treatment 0.461 0.00685 0.22 0.45 0.00286 0.08 0.2123 0.9169 3221287 PK04_130125 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)NCc3ccccc3F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G08 compound treatment 0.44 -0.0141 -0.44 0.433 -0.0141 -0.42 -0.6108 -0.9996 3211803 PK04_130126 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G09 compound treatment 0.444 -0.0101 -0.32 0.423 -0.0241 -0.72 -0.7314 -0.9338 3221289 PK04_130127 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)N4CCCCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G10 compound treatment 0.449 -0.00515 -0.16 0.431 -0.0161 -0.48 -0.4526 -0.8965 3211807 PK04_130128 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G11 compound treatment 0.448 -0.00615 -0.19 0.447 -1.4E-4 0.0 -0.1396 -0.7221 2019311 PK04_130129 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2ccc(cc2)C(=O)OC)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G12 compound treatment 0.457 0.00285 0.09 0.461 0.0139 0.41 0.3538 0.8417 3211818 PK04_130130 COc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G13 compound treatment 0.457 0.00285 0.09 0.474 0.0269 0.8 0.6262 0.7818 3221292 PK04_130131 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)Nc4ccccc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G14 compound treatment 0.448 -0.00615 -0.19 0.462 0.0149 0.44 0.1747 0.3632 3080207 PK04_130132 OCCC[C@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G15 compound treatment 0.466 0.0119 0.37 0.471 0.0239 0.71 0.7635 0.9552 2019470 PK04_130133 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)O)c2coc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G16 compound treatment 0.444 -0.0101 -0.32 0.441 -0.00614 -0.18 -0.3543 -0.9645 3080225 PK04_130134 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G17 compound treatment 0.453 -0.00115 -0.04 0.461 0.0139 0.41 0.2649 0.6425 3221294 PK04_130135 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c4coc5ccccc5c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G18 compound treatment 0.482 0.0279 0.88 0.421 -0.0261 -0.77 0.0716 0.0612 3211806 PK04_130136 CO[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G19 mock treatment 0.439 -0.0151 -0.48 0.429 -0.0181 -0.54 -0.7169 -0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G20 mock treatment 0.434 -0.0201 -0.63 0.412 -0.0351 -1.04 -1.1842 -0.9716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G21 compound treatment 0.45 -0.00415 -0.13 0.436 -0.0111 -0.33 -0.3256 -0.9175 2019463 PK04_130137 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)c3coc4ccccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G22 compound treatment 0.453 -0.00115 -0.04 0.432 -0.0151 -0.45 -0.3427 -0.7615 3080280 PK04_130138 COc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G23 compound treatment 0.463 0.00885 0.28 0.419 -0.0281 -0.83 -0.3928 -0.4468 3221297 PK04_130139 Cn1c(cc(=O)n1c2ccccc2)[C@@H]3C[C@H](OCCCCO)OC(=C3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 G24 compound treatment 0.459 0.00485 0.15 0.476 0.0289 0.86 0.7126 0.8203 3211912 PK04_130140 C[C@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H01 compound treatment 0.455 8.52E-4 0.03 0.454 0.00686 0.2 0.1627 0.7935 3052931 PK04_130141 NCCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H02 compound treatment 0.46 0.00585 0.18 0.456 0.00886 0.26 0.3158 0.9849 3221300 PK04_130142 C[C@@H]1[C@H]([C@H](CCn2cc(CCO)nn2)O[C@@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H03 mock treatment 0.433 -0.0211 -0.66 0.449 0.00186 0.06 -0.4312 -0.6463 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H04 mock treatment 0.441 -0.0131 -0.41 0.48 0.0329 0.97 0.3962 0.3745 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H05 compound treatment 0.451 -0.00315 -0.1 0.456 0.00886 0.26 0.1157 0.4122 3176330 PK04_130143 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H06 compound treatment 0.444 -0.0101 -0.32 0.502 0.0549 1.63 0.9239 0.5577 3221301 PK04_130144 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(c4ccccc43)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H07 compound treatment 0.449 -0.00515 -0.16 0.507 0.0599 1.77 1.1398 0.6399 3176685 PK04_130145 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H08 compound treatment 0.457 0.00285 0.09 0.495 0.0479 1.42 1.0662 0.7503 3221302 PK04_130146 C[C@H]1[C@@H]([C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]13C(=O)N(C)c4ccccc43)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H09 compound treatment 0.616 0.162 5.09 0.579 0.132 3.91 6.3614 0.9915 3052879 PK04_130147 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H10 compound treatment 0.455 8.52E-4 0.03 0.498 0.0509 1.51 1.0846 0.7196 3221303 PK04_130148 C[C@H]1[C@@H]([C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H11 compound treatment 0.447 -0.00715 -0.22 0.52 0.0729 2.16 1.3677 0.6301 3176775 PK04_130149 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H12 compound treatment 0.454 -1.48E-4 0.0 0.514 0.0669 1.98 1.3976 0.7054 3221305 PK04_130150 COc1cc2c3N(C(=O)[C@]42O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)O)C(C)(C)C=C(C)c3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H13 compound treatment 0.445 -0.00915 -0.29 0.507 0.0599 1.77 1.0508 0.5848 3052783 PK04_130151 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H14 compound treatment 0.435 -0.0191 -0.6 0.481 0.0339 1.0 0.2837 0.2425 3221307 PK04_130152 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(CC=C)c5ccccc54)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H15 compound treatment 0.45 -0.00415 -0.13 0.498 0.0509 1.51 0.9734 0.6435 3176626 PK04_130153 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H16 compound treatment 0.445 -0.00915 -0.29 0.518 0.0709 2.1 1.2813 0.6046 3221308 PK04_130154 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccccc32)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H17 compound treatment 1.2 0.746 23.45 0.507 0.0599 1.77 17.8374 0.7584 3176501 PK04_130155 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H18 compound treatment 0.438 -0.0161 -0.51 0.52 0.0729 2.16 1.1676 0.5264 3221309 PK04_130156 C[C@@H]1[C@H]([C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]13C(=O)N(C)c4c3cc(C)cc4Br)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H19 mock treatment 0.434 -0.0201 -0.63 0.532 0.0849 2.51 1.3301 0.5129 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H20 mock treatment 0.448 -0.00615 -0.19 0.5 0.0529 1.57 0.9709 0.6152 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H21 compound treatment 0.425 -0.0291 -0.92 0.46 0.0129 0.38 -0.3786 -0.3814 3052741 PK04_130157 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H22 compound treatment 0.448 -0.00615 -0.19 0.467 0.0199 0.59 0.2794 0.4511 3221310 PK04_130158 C[C@@H]1[C@H]([C@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H23 compound treatment 0.438 -0.0161 -0.51 0.441 -0.00614 -0.18 -0.4877 -0.9042 3176203 PK04_130159 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 H24 compound treatment 0.466 0.0119 0.37 0.442 -0.00514 -0.15 0.1558 0.3871 3221312 PK04_130160 C[C@H]1[C@@H]([C@@H](CCn2cc(nn2)[C@H](O)c3ccccc3)O[C@]14C(=O)N(c5ccccc54)c6ccccc6)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I01 compound treatment 0.481 0.0269 0.84 0.472 0.0249 0.74 1.1179 0.9977 3221313 PK04_130161 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc2ccc(Cl)cc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I02 compound treatment 0.446 -0.00815 -0.26 0.449 0.00186 0.06 -0.1422 -0.5425 3080209 PK04_130162 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I03 compound treatment 0.469 0.0149 0.47 0.462 0.0149 0.44 0.6416 0.9996 3221314 PK04_130163 Nc1ccccc1NC(=O)C2=C[C@@H](C[C@H](OCCCCO)O2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I04 compound treatment 0.432 -0.0221 -0.7 0.437 -0.0101 -0.3 -0.7049 -0.9294 3069956 PK04_130164 CO[C@@H](C=C)[C@@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I05 mock treatment 0.433 -0.0211 -0.66 0.429 -0.0181 -0.54 -0.8503 -0.9944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I06 mock treatment 0.439 -0.0151 -0.48 0.421 -0.0261 -0.77 -0.8845 -0.9727 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I07 compound treatment 0.462 0.00785 0.25 0.434 -0.0131 -0.39 -0.1007 -0.2185 3221316 PK04_130165 COC(CN(C)C(=O)C1=C[C@@H](C[C@H](OCCCCO)O1)c2cccs2)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I08 compound treatment 0.452 -0.00215 -0.07 0.427 -0.0201 -0.6 -0.4697 -0.7821 3211693 PK04_130166 CO[C@H](CCO)[C@H](O)c1ccc(O)c(F)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I09 compound treatment 0.453 -0.00115 -0.04 0.436 -0.0111 -0.33 -0.2589 -0.7798 2019335 PK04_130167 COC(=O)c1ccc(cc1)[C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I10 compound treatment 0.463 0.00885 0.28 0.45 0.00286 0.08 0.2568 0.8824 3080278 PK04_130168 CSc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I11 compound treatment 0.447 -0.00715 -0.22 0.439 -0.00814 -0.24 -0.3295 -0.9994 3221318 PK04_130169 COc1cc2c[n+](Cc3cc4OCOc4cc3Br)ccc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I12 compound treatment 0.459 0.00485 0.15 0.454 0.00686 0.2 0.2516 0.99 3211911 PK04_130170 COc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I13 compound treatment 0.45 -0.00415 -0.13 0.44 -0.00714 -0.21 -0.2418 -0.973 3221319 PK04_130171 COc1cc2c[n+](Cc3sc4ccccc4c3Cl)ccc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I14 compound treatment 0.447 -0.00715 -0.22 0.433 -0.0141 -0.42 -0.4552 -0.9574 3080208 PK04_130172 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I15 compound treatment 0.434 -0.0201 -0.63 0.438 -0.00914 -0.27 -0.6395 -0.9281 3221320 PK04_130173 COc1cc2c[n+](Cc3ccc(o3)[N+](=O)[O-])ccc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I16 compound treatment 0.444 -0.0101 -0.32 0.435 -0.0121 -0.36 -0.48 -0.9982 3080223 PK04_130174 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(OC)cc1)c2ccc(OCCO)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I17 compound treatment 0.442 -0.0121 -0.38 0.462 0.0149 0.44 0.0413 0.0708 3221321 PK04_130175 COc1cc2c[n+](Cc3cccc(OC(F)(F)F)c3)ccc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I18 compound treatment 0.51 0.0559 1.76 0.483 0.0359 1.06 1.9932 0.971 3080282 PK04_130176 CSc1ccc(NC(=O)O[C@H]([C@H](C)C=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I19 compound treatment 0.451 -0.00315 -0.1 0.446 -0.00114 -0.03 -0.0939 -0.8975 3221322 PK04_130177 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I20 compound treatment 0.426 -0.0281 -0.89 0.435 -0.0121 -0.36 -0.8802 -0.9213 3211594 PK04_130178 CO[C@H](C=C)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I21 mock treatment 0.433 -0.0211 -0.66 0.421 -0.0261 -0.77 -1.0179 -0.9971 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I22 mock treatment 0.429 -0.0251 -0.79 0.428 -0.0191 -0.57 -0.9602 -0.9867 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I23 compound treatment 0.471 0.0169 0.53 0.434 -0.0131 -0.39 0.0994 0.1511 3221324 PK04_130179 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4cccs4)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 I24 compound treatment 0.451 -0.00315 -0.1 0.433 -0.0141 -0.42 -0.3662 -0.8507 3211811 PK04_130180 CSc1ccc(NC(=O)O[C@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J01 compound treatment 0.462 0.00785 0.25 0.451 0.00386 0.11 0.2555 0.9388 3176788 PK04_130181 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J02 compound treatment 0.456 0.00185 0.06 0.449 0.00186 0.06 0.0802 0.9996 3221326 PK04_130182 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J03 compound treatment 0.436 -0.0181 -0.57 0.424 -0.0231 -0.69 -0.8883 -0.9958 3176789 PK04_130183 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J04 compound treatment 0.397 -0.0571 -1.8 0.364 -0.0831 -2.46 -3.0126 -0.988 3221328 PK04_130184 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J05 mock treatment 0.441 -0.0131 -0.41 0.456 0.00886 0.26 -0.1067 -0.2178 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J06 mock treatment 0.46 0.00585 0.18 0.426 -0.0211 -0.63 -0.3128 -0.4791 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J07 compound treatment 0.459 0.00485 0.15 0.435 -0.0121 -0.36 -0.1465 -0.3749 3052827 PK04_130185 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J08 compound treatment 0.482 0.0279 0.88 0.472 0.0249 0.74 1.1402 0.9963 3221330 PK04_130186 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J09 compound treatment 0.626 0.172 5.4 0.483 0.0359 1.06 4.5723 0.8303 3052794 PK04_130187 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J10 compound treatment 0.439 -0.0151 -0.48 0.396 -0.0511 -1.52 -1.4083 -0.8866 3221332 PK04_130188 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J11 compound treatment 0.548 0.0939 2.95 0.468 0.0209 0.62 2.5238 0.8371 3176437 PK04_130189 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J12 compound treatment 0.447 -0.00715 -0.22 0.447 -1.4E-4 0.0 -0.1618 -0.72 3221334 PK04_130190 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCOC4=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J13 compound treatment 0.439 -0.0151 -0.48 0.422 -0.0251 -0.74 -0.8635 -0.9767 3176038 PK04_130191 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J14 compound treatment 0.486 0.0319 1.0 0.465 0.0179 0.53 1.0824 0.9556 3221335 PK04_130192 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J15 compound treatment 0.454 -1.48E-4 0.0 0.428 -0.0191 -0.57 -0.4043 -0.7129 3052796 PK04_130193 Oc1ccc(cc1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)NCc5ccc(F)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J16 compound treatment 0.488 0.0339 1.06 0.509 0.0619 1.83 2.0488 0.9666 3221337 PK04_130194 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J17 compound treatment 0.441 -0.0131 -0.41 0.428 -0.0191 -0.57 -0.6933 -0.9879 3176331 PK04_130195 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J18 compound treatment 0.475 0.0209 0.66 0.462 0.0149 0.44 0.775 0.9812 3221339 PK04_130196 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J19 compound treatment 0.454 -1.48E-4 0.0 0.424 -0.0231 -0.69 -0.4881 -0.7119 3176671 PK04_130197 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J20 compound treatment 0.486 0.0319 1.0 0.44 -0.00714 -0.21 0.5586 0.5457 3221341 PK04_130198 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5ccccc5Oc6ccccc46)c7ccccc72)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J21 mock treatment 0.441 -0.0131 -0.41 0.415 -0.0321 -0.95 -0.9657 -0.9302 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J22 mock treatment 0.444 -0.0101 -0.32 0.424 -0.0231 -0.69 -0.7105 -0.9394 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J23 compound treatment 0.454 -1.48E-4 0.0 0.427 -0.0201 -0.6 -0.4253 -0.7126 3176271 PK04_130199 OCCOc1cccc(c1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 J24 compound treatment 0.493 0.0389 1.22 0.455 0.00786 0.23 1.0285 0.827 3221343 PK04_130200 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5ccccc5Oc6ccccc46)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K01 compound treatment 0.473 0.0189 0.59 0.494 0.0469 1.39 1.401 0.928 3221345 PK04_130201 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3cccs3)c4ccc(CO)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K02 compound treatment 0.478 0.0239 0.75 0.469 0.0219 0.65 0.9884 0.9973 3211905 PK04_130202 C[C@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K03 compound treatment 0.417 -0.0371 -1.17 0.419 -0.0281 -0.83 -1.4155 -0.9863 3221347 PK04_130203 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#Cc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K04 compound treatment 0.434 -0.0201 -0.63 0.453 0.00586 0.17 -0.3252 -0.495 3211691 PK04_130204 CSc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K05 compound treatment 0.443 -0.0111 -0.35 0.44 -0.00714 -0.21 -0.3974 -0.9708 3221348 PK04_130205 COc1cc2CCN(C)C(C#Cc3ccccc3)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K06 compound treatment 0.447 -0.00715 -0.22 0.426 -0.0211 -0.63 -0.6019 -0.9044 3211813 PK04_130206 CSc1ccc(NC(=O)O[C@@H]([C@@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K07 mock treatment 0.454 -1.48E-4 0.0 0.416 -0.0311 -0.92 -0.6557 -0.7107 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K08 mock treatment 0.453 -0.00115 -0.04 0.422 -0.0251 -0.74 -0.5523 -0.7405 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K09 compound treatment 0.412 -0.0421 -1.33 0.392 -0.0551 -1.63 -2.0924 -0.9946 3221349 PK04_130207 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#Cc4ccccc4)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K10 compound treatment 0.529 0.0749 2.35 0.493 0.0459 1.36 2.6252 0.9659 3211817 PK04_130208 CSc1ccc(NC(=O)O[C@H](CC=C)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K11 compound treatment 0.485 0.0309 0.97 0.46 0.0129 0.38 0.9554 0.9167 3221350 PK04_130209 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K12 compound treatment 0.448 -0.00615 -0.19 0.454 0.00686 0.2 0.0071 0.0252 3080279 PK04_130210 C[C@@H](CCO)[C@@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K13 compound treatment 0.537 0.0829 2.61 0.431 -0.0161 -0.48 1.504 0.5678 3221351 PK04_130211 COCC#CC1N(C)CCc2cc(OC)c(O)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K14 compound treatment 0.459 0.00485 0.15 0.446 -0.00114 -0.03 0.084 0.5376 3080188 PK04_130212 CO[C@H](CCO)[C@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K15 mock treatment 0.458 0.00385 0.12 0.477 0.0299 0.88 0.7113 0.7965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K16 mock treatment 0.437 -0.0171 -0.54 0.437 -0.0101 -0.3 -0.5937 -0.9619 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K17 compound treatment 0.461 0.00685 0.22 0.455 0.00786 0.23 0.3171 0.9992 3221353 PK04_130213 COCC#CC1N(Cc2ccc(o2)[N+](=O)[O-])CCc3cc(OC)c(O)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K18 compound treatment 0.449 -0.00515 -0.16 0.431 -0.0161 -0.48 -0.4526 -0.8965 3080221 PK04_130214 CO[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K19 compound treatment 0.443 -0.0111 -0.35 0.427 -0.0201 -0.6 -0.6698 -0.9678 3221354 PK04_130215 COc1ccc(CN2CCc3cc(OC)c(O)cc3C2C#C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K20 compound treatment 0.46 0.00585 0.18 0.425 -0.0221 -0.66 -0.3338 -0.4899 3211696 PK04_130216 CO[C@@H](CCO)[C@@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K21 compound treatment 0.461 0.00685 0.22 0.439 -0.00814 -0.24 -0.0182 -0.0563 3221356 PK04_130217 COc1cc2CCN(C)C(C#C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K22 compound treatment 0.443 -0.0111 -0.35 0.414 -0.0331 -0.98 -0.9422 -0.9037 3211816 PK04_130218 COc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K23 mock treatment 0.449 -0.00515 -0.16 0.427 -0.0201 -0.6 -0.5364 -0.8676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 K24 mock treatment 0.459 0.00485 0.15 0.442 -0.00514 -0.15 2.0E-4 9.0E-4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L01 compound treatment 0.459 0.00485 0.15 0.453 0.00586 0.17 0.2307 0.9979 3176382 PK04_130219 CN(C)CCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L02 compound treatment 0.447 -0.00715 -0.22 0.443 -0.00414 -0.12 -0.2457 -0.9594 3221357 PK04_130220 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCCCC4=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L03 compound treatment 0.436 -0.0181 -0.57 0.425 -0.0221 -0.66 -0.8674 -0.9976 3176383 PK04_130221 NCCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L04 compound treatment 0.459 0.00485 0.15 0.447 -1.4E-4 0.0 0.105 0.6877 3221359 PK04_130222 C[C@H](O)C(=O)Nc1ccc2N(CC=C)C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L05 compound treatment 0.457 0.00285 0.09 0.438 -0.00914 -0.27 -0.1281 -0.449 3052642 PK04_130223 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)[C@@H]4CCCN4C3=O)C(=O)OCCOc5ccc(cc5)[C@H]6N7[C@@H]([C@@H](C(=O)OCC=C)[C@]68C(=O)Nc9ccccc98)C(=O)O[C@@H]([C@@H]7c%10ccccc%10)c%11ccccc%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L06 compound treatment 0.442 -0.0121 -0.38 0.433 -0.0141 -0.42 -0.5664 -0.9989 3221361 PK04_130224 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L07 mock treatment 0.446 -0.00815 -0.26 0.437 -0.0101 -0.3 -0.3936 -0.9969 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L08 mock treatment 0.453 -0.00115 -0.04 0.437 -0.0101 -0.3 -0.238 -0.7864 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L09 compound treatment 0.605 0.151 4.74 0.517 0.0699 2.07 4.8178 0.9309 3176673 PK04_130225 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L10 compound treatment 0.476 0.0219 0.69 0.456 0.00886 0.26 0.6715 0.9129 3221363 PK04_130226 COc1ccc(cc1)C(=O)Nc2cccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L11 compound treatment 0.626 0.172 5.4 0.498 0.0509 1.51 4.8866 0.8711 3052529 PK04_130227 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L12 compound treatment 0.466 0.0119 0.37 0.454 0.00686 0.2 0.4073 0.9594 3221365 PK04_130228 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N(C=O)c4ccccc4)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L13 compound treatment 0.542 0.0879 2.76 0.516 0.0689 2.04 3.3961 0.9889 3052693 PK04_130229 CN(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L14 compound treatment 0.457 0.00285 0.09 0.435 -0.0121 -0.36 -0.1909 -0.515 3221366 PK04_130230 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L15 mock treatment 0.453 -0.00115 -0.04 0.459 0.0119 0.35 0.223 0.6312 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L16 mock treatment 0.462 0.00785 0.25 0.426 -0.0211 -0.63 -0.2683 -0.3985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L17 compound treatment 0.448 -0.00615 -0.19 0.439 -0.00814 -0.24 -0.3072 -0.994 3176205 PK04_130231 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L18 compound treatment 0.458 0.00385 0.12 0.439 -0.00814 -0.24 -0.0849 -0.3145 3221368 PK04_130232 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCOC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L19 compound treatment 0.439 -0.0151 -0.48 0.424 -0.0231 -0.69 -0.8216 -0.9842 3176125 PK04_130233 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L20 compound treatment 0.483 0.0289 0.91 0.44 -0.00714 -0.21 0.4919 0.528 3221370 PK04_130234 COc1ccc(cc1)C(=O)Nc2ccc3N(CC=C)C(=O)[C@@]4(O[C@@H](CCO)[C@@H]([C@H]4C)[Si](C)(C)F)c3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L21 compound treatment 0.441 -0.0131 -0.41 0.428 -0.0191 -0.57 -0.6933 -0.9879 3052877 PK04_130235 Oc1ccc(cc1)[C@H]2[C@H](C[C@@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L22 compound treatment 0.489 0.0349 1.1 0.467 0.0199 0.59 1.191 0.9575 3221372 PK04_130236 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(NC(=O)C)cc32)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L23 mock treatment 0.443 -0.0111 -0.35 0.434 -0.0131 -0.39 -0.5232 -0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 L24 mock treatment 0.477 0.0229 0.72 0.482 0.0349 1.03 1.2385 0.9843 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M01 compound treatment 0.782 0.328 10.31 0.726 0.279 8.26 13.1323 0.994 3221374 PK04_130237 COc1cc2CCN(Cc3ccc(o3)[N+](=O)[O-])C(C#C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M02 compound treatment 0.453 -0.00115 -0.04 0.454 0.00686 0.2 0.1182 0.5726 3211810 PK04_130238 C[C@@H](CCO)[C@@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M03 compound treatment 0.455 8.52E-4 0.03 0.456 0.00886 0.26 0.2046 0.7753 3221375 PK04_130239 CC(C)C(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M04 compound treatment 0.452 -0.00215 -0.07 0.461 0.0139 0.41 0.2427 0.583 3080224 PK04_130240 COc1ccc(NC(=O)O[C@@H]([C@H](C)CCO)c2ccc(OCCO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M05 compound treatment 0.461 0.00685 0.22 0.45 0.00286 0.08 0.2123 0.9169 3221376 PK04_130241 COCC(=C=CC[C@@H](O)c1ccc(OCCO)cc1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M06 compound treatment 0.476 0.0219 0.69 0.463 0.0159 0.47 0.8182 0.9828 3211820 PK04_130242 COc1ccc(NC(=O)O[C@@H](CCCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M07 compound treatment 0.462 0.00785 0.25 0.438 -0.00914 -0.27 -0.0169 -0.0461 3221377 PK04_130243 CCCCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M08 compound treatment 0.461 0.00685 0.22 0.442 -0.00514 -0.15 0.0447 0.1693 3211694 PK04_130244 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(O)c(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M09 mock treatment 0.457 0.00285 0.09 0.448 8.6E-4 0.03 0.0814 0.8735 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M10 mock treatment 0.45 -0.00415 -0.13 0.439 -0.00814 -0.24 -0.2628 -0.9583 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M11 compound treatment 0.461 0.00685 0.22 0.457 0.00986 0.29 0.359 0.9888 3221378 PK04_130245 CC(C)C(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M12 compound treatment 0.455 8.52E-4 0.03 0.448 8.6E-4 0.03 0.037 0.9997 3080189 PK04_130246 CO[C@H](CCO)[C@H](OC(=O)Nc1ccc(SC)cc1)c2ccc(OC)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M13 mock treatment 0.446 -0.00815 -0.26 0.447 -1.4E-4 0.0 -0.1841 -0.7184 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M14 mock treatment 0.457 0.00285 0.09 0.451 0.00386 0.11 0.1443 0.9928 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M15 compound treatment 0.783 0.329 10.34 0.816 0.369 10.93 15.0403 0.9996 3221379 PK04_130247 COCC(=C=CC[C@@H](O)c1cccc(OCCO)c1)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M16 compound treatment 0.407 -0.0471 -1.48 0.449 0.00186 0.06 -1.0093 -0.6803 3211679 PK04_130248 CO[C@@H](CCO)[C@@H](O)c1ccc(OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M17 compound treatment 0.483 0.0289 0.91 0.484 0.0369 1.09 1.4138 0.9957 3221380 PK04_130249 CCCCC(=C=CC[C@@H](O)c1ccccc1OCCO)C[C@@H](O)c2cc(Cl)cc(Cl)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M18 compound treatment 0.429 -0.0251 -0.79 0.484 0.0369 1.09 0.2132 0.1581 3211808 PK04_130250 C[C@H](CCO)[C@H](O)c1ccc(OCCO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M19 mock treatment 0.457 0.00285 0.09 0.444 -0.00314 -0.09 -0.0024 -0.0183 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M20 compound treatment 0.476 0.0219 0.69 0.451 0.00386 0.11 0.5667 0.8136 3080271 PK04_130251 CSc1ccc(NC(=O)O[C@H](CCCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M21 mock treatment 0.444 -0.0101 -0.32 0.425 -0.0221 -0.66 -0.6895 -0.9452 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M22 compound treatment 0.465 0.0109 0.34 0.459 0.0119 0.35 0.4898 0.9999 3211910 PK04_130252 C[C@@H](CCO)[C@H](O)c1ccc(O)c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M23 mock treatment 0.476 0.0219 0.69 0.495 0.0479 1.42 1.4887 0.9447 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 M24 compound treatment 0.487 0.0329 1.03 0.492 0.0449 1.33 1.6704 0.9922 3211692 PK04_130253 COc1ccc(NC(=O)O[C@@H](CC=C)c2ccc(O)c(F)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N01 compound treatment 0.466 0.0119 0.37 0.46 0.0129 0.38 0.533 0.9999 3176433 PK04_130254 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N02 compound treatment 0.492 0.0379 1.19 0.488 0.0409 1.21 1.6977 1.0 3221382 PK04_130255 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCCCC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N03 compound treatment 0.457 0.00285 0.09 0.451 0.00386 0.11 0.1443 0.9928 3175967 PK04_130256 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N04 compound treatment 0.445 -0.00915 -0.29 0.438 -0.00914 -0.27 -0.3949 -0.9995 3221383 PK04_130257 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N05 compound treatment 0.449 -0.00515 -0.16 0.443 -0.00414 -0.12 -0.2012 -0.9906 3052653 PK04_130258 OCCOc1cccc(c1)[C@@H]2[C@@H](C[C@H]3N2C(=O)CNC3=O)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N06 compound treatment 0.396 -0.0581 -1.83 0.371 -0.0761 -2.26 -2.8882 -0.9946 3221385 PK04_130259 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(CC=C)c3ccc(cc32)N4C(=O)c5cccc6cccc4c56)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N07 compound treatment 0.505 0.0509 1.6 0.541 0.0939 2.78 3.0973 0.9655 3052758 PK04_130260 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N08 compound treatment 0.444 -0.0101 -0.32 0.44 -0.00714 -0.21 -0.3752 -0.9801 3221386 PK04_130261 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N09 mock treatment 0.439 -0.0151 -0.48 0.445 -0.00214 -0.06 -0.3816 -0.7942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N10 mock treatment 0.452 -0.00215 -0.07 0.443 -0.00414 -0.12 -0.1345 -0.9605 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N11 compound treatment 0.497 0.0429 1.35 0.473 0.0259 0.77 1.4946 0.9642 3176332 PK04_130262 CN(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N12 compound treatment 0.437 -0.0171 -0.54 0.479 0.0319 0.94 0.2863 0.2633 3221388 PK04_130263 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N13 mock treatment 0.453 -0.00115 -0.04 0.447 -1.4E-4 0.0 -0.0284 -0.783 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N14 mock treatment 0.455 8.52E-4 0.03 0.432 -0.0151 -0.45 -0.2983 -0.6637 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N15 compound treatment 0.442 -0.0121 -0.38 0.429 -0.0181 -0.54 -0.6502 -0.986 3176440 PK04_130264 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCc4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N16 compound treatment 0.455 8.52E-4 0.03 0.435 -0.0121 -0.36 -0.2354 -0.6526 3221389 PK04_130265 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4C(=O)c5cccc6cccc4c56)c7ccccc72)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N17 compound treatment 0.447 -0.00715 -0.22 0.428 -0.0191 -0.57 -0.5599 -0.9179 3174818 PK04_130266 CN(C)CCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3cccc(OCCO)c3)C(=O)[C@H](CCCCNC(=O)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N18 compound treatment 0.483 0.0289 0.91 0.481 0.0339 1.0 1.351 0.9987 3221391 PK04_130267 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCOC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N19 compound treatment 0.441 -0.0131 -0.41 0.416 -0.0311 -0.92 -0.9448 -0.9344 3052539 PK04_130268 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)NCCCCCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N20 compound treatment 0.487 0.0329 1.03 0.476 0.0289 0.86 1.3351 0.9956 3221392 PK04_130269 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N(C=O)c5ccccc5)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N21 compound treatment 0.452 -0.00215 -0.07 0.421 -0.0261 -0.77 -0.5954 -0.7659 3052582 PK04_130270 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N22 compound treatment 0.454 -1.48E-4 0.0 0.436 -0.0111 -0.33 -0.2367 -0.717 3221394 PK04_130271 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@@]3(O[C@@H](CCO)[C@@H]([C@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N23 compound treatment 0.449 -0.00515 -0.16 0.445 -0.00214 -0.06 -0.1593 -0.9163 3052791 PK04_130272 CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 N24 compound treatment 0.512 0.0579 1.82 0.493 0.0459 1.36 2.2472 0.9897 3221396 PK04_130273 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O01 mock treatment 0.49 0.0359 1.13 0.489 0.0419 1.24 1.6742 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O02 compound treatment 0.487 0.0329 1.03 0.488 0.0409 1.21 1.5866 0.9969 3211913 PK04_130274 CSc1ccc(NC(=O)O[C@H]([C@H](C)CCO)c2ccc(O)c3ccccc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O03 mock treatment 0.443 -0.0111 -0.35 0.46 0.0129 0.38 0.0216 0.0417 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O04 mock treatment 0.453 -0.00115 -0.04 0.469 0.0219 0.65 0.4325 0.6667 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O05 mock treatment 0.47 0.0159 0.5 0.464 0.0169 0.5 0.7057 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O06 mock treatment 0.467 0.0129 0.4 0.443 -0.00414 -0.12 0.199 0.4713 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O07 mock treatment 0.462 0.00785 0.25 0.438 -0.00914 -0.27 -0.0169 -0.0461 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O08 mock treatment 0.479 0.0249 0.78 0.474 0.0269 0.8 1.1154 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O09 mock treatment 0.48 0.0259 0.81 0.464 0.0169 0.5 0.9281 0.9727 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O10 mock treatment 0.468 0.0139 0.44 0.46 0.0129 0.38 0.5775 0.9978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O11 mock treatment 0.466 0.0119 0.37 0.47 0.0229 0.68 0.7425 0.9604 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O12 mock treatment 0.475 0.0209 0.66 0.462 0.0149 0.44 0.775 0.9812 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O13 mock treatment 0.459 0.00485 0.15 0.447 -1.4E-4 0.0 0.105 0.6877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O14 mock treatment 0.457 0.00285 0.09 0.469 0.0219 0.65 0.5215 0.7974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O15 mock treatment 0.485 0.0309 0.97 0.474 0.0269 0.8 1.2488 0.9952 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O16 mock treatment 0.471 0.0169 0.53 0.466 0.0189 0.56 0.7699 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O17 mock treatment 0.473 0.0189 0.59 0.467 0.0199 0.59 0.8353 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O18 mock treatment 0.471 0.0169 0.53 0.456 0.00886 0.26 0.5603 0.9475 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O19 mock treatment 0.477 0.0229 0.72 0.455 0.00786 0.23 0.6728 0.8907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O20 mock treatment 0.461 0.00685 0.22 0.446 -0.00114 -0.03 0.1285 0.5891 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O21 mock treatment 0.476 0.0219 0.69 0.456 0.00886 0.26 0.6715 0.9129 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O22 mock treatment 0.468 0.0139 0.44 0.448 8.6E-4 0.03 0.326 0.7472 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O23 mock treatment 0.491 0.0369 1.16 0.458 0.0109 0.32 1.0469 0.8705 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 O24 mock treatment 0.487 0.0329 1.03 0.465 0.0179 0.53 1.1047 0.9517 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P01 compound treatment 0.505 0.0509 1.6 0.492 0.0449 1.33 2.0706 0.9958 3175838 PK04_130275 NCCCCCNC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)[C@H](CCCCN)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P02 compound treatment 0.507 0.0529 1.66 0.512 0.0649 1.92 2.5341 0.9974 3221398 PK04_130276 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccc(cc3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P03 compound treatment 0.484 0.0299 0.94 0.472 0.0249 0.74 1.1846 0.9928 3052740 PK04_130277 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3cccc(OCCO)c3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P04 compound treatment 0.509 0.0549 1.72 0.502 0.0549 1.63 2.3691 0.9996 3221399 PK04_130278 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(NC(=O)C)c3)c4ccccc42)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P05 compound treatment 0.482 0.0279 0.88 0.478 0.0309 0.91 1.2659 0.9998 3176784 PK04_130279 C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@H]5N6[C@@H]([C@@H](C(=O)OCC=C)[C@]57C(=O)Nc8ccccc87)C(=O)O[C@@H]([C@@H]6c9ccccc9)c%10ccccc%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P06 compound treatment 0.48 0.0259 0.81 0.489 0.0419 1.24 1.4519 0.979 3221400 PK04_130280 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5C(=O)c6ccccc6Oc7ccccc57)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P07 compound treatment 0.448 -0.00615 -0.19 0.435 -0.0121 -0.36 -0.391 -0.9576 3052752 PK04_130281 CC(=O)NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P08 compound treatment 0.491 0.0369 1.16 0.484 0.0369 1.09 1.5917 0.9996 3221401 PK04_130282 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3ccccc3)c4ccc(cc42)N5CCC5=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P09 compound treatment 0.455 8.52E-4 0.03 0.434 -0.0131 -0.39 -0.2564 -0.6569 3052788 PK04_130283 CC(C)C[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)NCCCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P10 compound treatment 0.485 0.0309 0.97 0.492 0.0449 1.33 1.6259 0.988 3221402 PK04_130284 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P11 mock treatment 0.471 0.0169 0.53 0.454 0.00686 0.2 0.5184 0.9135 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P12 mock treatment 0.472 0.0179 0.56 0.481 0.0339 1.0 1.1064 0.9623 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P13 compound treatment 0.455 8.52E-4 0.03 0.44 -0.00714 -0.21 -0.1306 -0.6126 3052846 PK04_130285 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)CNC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P14 compound treatment 0.512 0.0579 1.82 0.51 0.0629 1.86 2.6034 0.9999 3221404 PK04_130286 C[C@H](O)C(=O)Nc1cccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P15 compound treatment 0.462 0.00785 0.25 0.432 -0.0151 -0.45 -0.1426 -0.2785 3052836 PK04_130287 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@@H]4CCCN4C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P16 compound treatment 0.491 0.0369 1.16 0.485 0.0379 1.12 1.6126 0.9999 3221406 PK04_130288 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4CCCCC4=O)c5ccccc52)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P17 compound treatment 0.475 0.0209 0.66 0.461 0.0139 0.41 0.754 0.9746 3176730 PK04_130289 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P18 compound treatment 0.504 0.0499 1.57 0.483 0.0359 1.06 1.8598 0.9821 3221407 PK04_130290 C[C@H](O)C(=O)Nc1ccc(CN2C(=O)[C@]3(O[C@H](CCO)[C@H]([C@@H]3C)[Si](C)(C)F)c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P19 compound treatment 0.457 0.00285 0.09 0.435 -0.0121 -0.36 -0.1909 -0.515 3052799 PK04_130291 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P20 compound treatment 0.519 0.0649 2.04 0.521 0.0739 2.19 2.9895 0.9994 3221408 PK04_130292 COc1ccc(cc1)C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)[C@H]([C@@H]4C)[Si](C)(C)F)c5ccccc35)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P21 compound treatment 0.468 0.0139 0.44 0.445 -0.00214 -0.06 0.2632 0.5979 3176730 PK04_130293 C[N+](C)(C)CCCCNC(=O)[C@@H]1C[C@H]2N([C@@H]1c3ccc(O)cc3)C(=O)[C@H](CCCC[N+](C)(C)C)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P22 compound treatment 0.702 0.248 7.79 0.509 0.0619 1.83 6.8069 0.8502 3221410 PK04_130294 C[C@@H]1[C@H]([C@H](CCO)O[C@@]12C(=O)N(CC=C)c3ccc(cc32)N4CCC4=O)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P23 compound treatment 0.491 0.0369 1.16 0.455 0.00786 0.23 0.9841 0.8326 3176786 PK04_130295 NCCCC[C@@H]1NC(=O)[C@H]2C[C@H]([C@H](N2C1=O)c3ccc(O)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2130 P24 compound treatment 0.554 0.0999 3.14 0.553 0.106 3.14 4.4382 1.0 3221411 PK04_130296 C[C@H]1[C@@H]([C@@H](CCO)O[C@]12C(=O)N(Cc3cccc(c3)N4C(=O)COc5ccccc45)c6ccccc62)[Si](C)(C)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A01 compound treatment 0.512 -0.106 -3.32 0.544 0.0683 2.02 -0.9189 -0.2361 3561840 PK04_181001 CC(C)(C)N(CC=C)C(=O)C1N(Cc2ccccc2)C(=O)C3C(C4OC13C=C4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A02 compound treatment 0.439 -0.179 -5.62 0.45 -0.0257 -0.76 -4.5115 -0.7956 3561841 PK04_181002 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A03 compound treatment 0.488 -0.13 -4.08 0.499 0.0233 0.69 -2.3954 -0.5791 3561843 PK04_181003 OC1CCC(CC1)N2C(C(=O)N(CC=C)c3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A04 compound treatment 0.467 -0.151 -4.74 0.483 0.00731 0.22 -3.1975 -0.6741 2065615 PK04_181004 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A05 compound treatment 0.484 -0.134 -4.2 0.515 0.0393 1.16 -2.1491 -0.4926 3561844 PK04_181005 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccco4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A06 compound treatment 0.46 -0.158 -4.96 0.484 0.00831 0.25 -3.3322 -0.6712 3561845 PK04_181006 CCCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)c5ccccc5Cl)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A07 compound treatment 0.503 -0.115 -3.61 0.512 0.0363 1.08 -1.7895 -0.4755 3561847 PK04_181007 Cc1cccc2OC(CC(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A08 compound treatment 0.482 -0.136 -4.27 0.476 3.11E-4 0.01 -3.0107 -0.7056 3561848 PK04_181008 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A09 compound treatment 0.502 -0.116 -3.64 0.52 0.0443 1.31 -1.6441 -0.4251 3561850 PK04_181009 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A10 compound treatment 0.493 -0.125 -3.92 0.512 0.0363 1.08 -2.0118 -0.4948 3561851 PK04_181010 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A11 compound treatment 0.499 -0.119 -3.73 0.512 0.0363 1.08 -1.8784 -0.4836 3561853 PK04_181011 Brc1ccc(CN(C(C(=O)NCc2ccccc2)c3ccco3)C(=O)Cc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A12 compound treatment 0.491 -0.127 -3.98 0.513 0.0373 1.11 -2.0353 -0.4923 3561854 PK04_181012 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A13 mock treatment 0.484 -0.134 -4.2 0.494 0.0183 0.54 -2.5891 -0.6108 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A14 mock treatment 0.461 -0.157 -4.93 0.483 0.00731 0.22 -3.3309 -0.6754 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A15 compound treatment 0.485 -0.133 -4.17 0.498 0.0223 0.66 -2.483 -0.5877 3561850 PK04_181013 O=C(Cc1ccccc1)N(Cc2ccccc2)C(C(=O)NCc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A16 compound treatment 0.518 -0.0997 -3.14 0.482 0.00631 0.19 -2.0845 -0.6637 3561856 PK04_181014 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A17 compound treatment 0.495 -0.123 -3.86 0.512 0.0363 1.08 -1.9673 -0.4912 3561858 PK04_181015 COc1ccc(CNC(=O)OCC2c3ccccc3-c4ccccc24)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A18 compound treatment 0.489 -0.129 -4.05 0.48 0.00431 0.13 -2.7712 -0.6844 3561856 PK04_181016 C[C@H](C(OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@H](CN(CC=C)Cc4ccccc4)N(C(=O)[C@@H]13)C(C)(C)C)c5ccccc5)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A19 compound treatment 0.483 -0.135 -4.24 0.486 0.0103 0.31 -2.7789 -0.6544 3561859 PK04_181017 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4cc(OC)cc(OC)c4)C(=O)C13)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A20 compound treatment 0.447 -0.171 -5.37 0.479 0.00331 0.1 -3.726 -0.6941 3561860 PK04_181018 COc1ccc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A21 compound treatment 0.469 -0.149 -4.68 0.513 0.0373 1.11 -2.5245 -0.5254 3561861 PK04_181019 CCOC(=O)C1C2OC3(C=C2)C(N(Cc4ccccc4)C(=O)C13)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A22 compound treatment 0.54 -0.0777 -2.44 0.538 0.0623 1.85 -0.422 -0.1378 3561862 PK04_181020 COc1cc(CN2[C@H](C(=O)N(CC=C)Cc3ccccc3)C4(OC5C=C4)[C@@H]([C@H]5C(=O)O)C2=O)ccc1O[SiH](C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A23 compound treatment 0.469 -0.149 -4.68 0.498 0.0223 0.66 -2.8388 -0.6011 3561864 PK04_181021 O=C(Cc1ccccc1)OC(C(=O)NCc2ccccc2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 A24 compound treatment 0.467 -0.151 -4.74 0.48 0.00431 0.13 -3.2604 -0.6878 3561865 PK04_181022 COc1cc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)ccc1O[SiH](C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B01 compound treatment 0.452 -0.166 -5.21 0.444 -0.0317 -0.94 -4.3482 -0.8213 3561867 PK04_181023 OC(CC=C)c1cccc(c1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B02 compound treatment 0.461 -0.157 -4.93 0.461 -0.0147 -0.44 -3.7919 -0.7666 1008566 PK04_181024 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B03 compound treatment 0.536 -0.0817 -2.57 0.461 -0.0147 -0.44 -2.1243 -0.8153 3561868 PK04_181025 CC(C)(C)OC(=O)OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B04 compound treatment 0.563 -0.0547 -1.72 0.484 0.00831 0.25 -1.0421 -0.5997 3561869 PK04_181026 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)[Se]c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B05 compound treatment 0.531 -0.0867 -2.73 0.446 -0.0297 -0.88 -2.5498 -0.8901 3561870 PK04_181027 OC(CC1CO1)c2ccc(cc2)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B06 compound treatment 0.532 -0.0857 -2.69 0.459 -0.0167 -0.49 -2.2552 -0.8231 3561871 PK04_181028 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B07 compound treatment 0.603 -0.0147 -0.46 0.468 -0.00769 -0.23 -0.488 -0.9468 3561872 PK04_181029 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B08 compound treatment 0.655 0.0373 1.17 0.486 0.0103 0.31 1.0453 0.8625 3561873 PK04_181030 CC(C)CC1CC(=O)C=C(Cl)N1C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B09 compound treatment 0.548 -0.0697 -2.19 0.457 -0.0187 -0.55 -1.9413 -0.8588 3561874 PK04_181031 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B10 compound treatment 0.52 -0.0977 -3.07 0.446 -0.0297 -0.88 -2.7944 -0.8744 3561875 PK04_181032 COC(=O)C1=C(Cl)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B11 compound treatment 0.574 -0.0437 -1.37 0.475 -6.89E-4 -0.02 -0.9861 -0.7175 3561876 PK04_181033 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B12 compound treatment 0.575 -0.0427 -1.34 0.476 3.11E-4 0.01 -0.9429 -0.7022 3561877 PK04_181034 COC(=O)C1=C(OC)N(C(CC(C)C)CC1=O)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B13 mock treatment 0.501 -0.117 -3.67 0.439 -0.0367 -1.09 -3.3635 -0.8788 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B14 mock treatment 0.501 -0.117 -3.67 0.45 -0.0257 -0.76 -3.133 -0.836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B15 compound treatment 0.513 -0.105 -3.29 0.464 -0.0117 -0.35 -2.5729 -0.7772 3561878 PK04_181035 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2CC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)OC(O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B16 compound treatment 0.502 -0.116 -3.64 0.489 0.0133 0.39 -2.2936 -0.6268 3561879 PK04_181036 CC(C)CC1CC(=O)C(=C(Cl)N1C(=O)OC(C)(C)C)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B17 compound treatment 0.486 -0.132 -4.14 0.455 -0.0207 -0.61 -3.3617 -0.803 3561880 PK04_181037 OC(CC1CO1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B18 compound treatment 0.483 -0.135 -4.24 0.46 -0.0157 -0.46 -3.3237 -0.78 3561881 PK04_181038 CC(C)(C)OC(=O)NCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B19 compound treatment 0.458 -0.16 -5.02 0.428 -0.0477 -1.41 -4.55 -0.8722 3561882 PK04_181039 CN(CC(O)CC(O)c1ccccc1)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B20 compound treatment 0.468 -0.15 -4.71 0.429 -0.0467 -1.38 -4.3067 -0.8778 3561883 PK04_181040 COc1ccc(CN(C(=C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B21 compound treatment 0.463 -0.155 -4.86 0.454 -0.0217 -0.64 -3.8941 -0.7936 3561884 PK04_181041 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccc(cc6)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B22 compound treatment 0.485 -0.133 -4.17 0.477 0.00131 0.04 -2.923 -0.7005 3561885 PK04_181042 COc1ccc(CNS(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B23 compound treatment 0.42 -0.198 -6.22 0.445 -0.0307 -0.91 -5.0387 -0.802 3561886 PK04_181043 OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccncc3)CC(O2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 B24 compound treatment 0.502 -0.116 -3.64 0.515 0.0393 1.16 -1.7488 -0.4578 3561887 PK04_181044 Brc1ccc(cc1)S(=O)(=O)N2C[C@H]2C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C01 compound treatment 0.49 -0.128 -4.02 0.511 0.0353 1.05 -2.0995 -0.506 3561889 PK04_181045 O=C(Cc1ccccc1)N2CC(=O)Oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C02 compound treatment 0.561 -0.0567 -1.78 0.491 0.0153 0.45 -0.9399 -0.5109 3561890 PK04_181046 CCCCCNC(=O)[C@H]1N(C(=O)[C@@H]2[C@H](C3OC12C=C3)C(=O)OCC)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C03 compound treatment 0.586 -0.0317 -1.0 0.441 -0.0347 -1.03 -1.4317 -0.9999 3561892 PK04_181047 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C04 compound treatment 0.633 0.0153 0.48 0.473 -0.00269 -0.08 0.2838 0.5821 2065568 PK04_181048 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C05 compound treatment 0.663 0.0453 1.42 0.538 0.0623 1.85 2.3127 0.9918 3561893 PK04_181049 OCCCCCCN1C(C(=O)N(CC=C)Cc2ccccc2)C3(OC4C=C3)C(C4C(=O)OCC=C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C06 compound treatment 0.671 0.0533 1.68 0.444 -0.0317 -0.94 0.521 0.2712 2065566 PK04_181050 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C07 compound treatment 0.697 0.0793 2.49 0.478 0.00231 0.07 1.8115 0.7263 3561894 PK04_181051 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)N(CC=C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C08 compound treatment 0.692 0.0743 2.34 0.472 -0.00369 -0.11 1.5746 0.6733 2065605 PK04_181052 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2cccs2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C09 compound treatment 0.611 -0.0067 -0.21 0.471 -0.00469 -0.14 -0.2473 -0.9795 3561895 PK04_181053 O=C(Cc1ccccc1)OC(COCc2ccccc2)C(=O)NCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C10 compound treatment 0.594 -0.0237 -0.75 0.445 -0.0307 -0.91 -1.17 -0.9951 2065603 PK04_181054 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3cccs3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C11 mock treatment 0.652 0.0343 1.08 0.469 -0.00669 -0.2 0.6224 0.5676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C12 mock treatment 0.677 0.0593 1.86 0.468 -0.00769 -0.23 1.1573 0.6161 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C13 compound treatment 0.672 0.0543 1.71 0.474 -0.00169 -0.05 1.1719 0.6861 3561896 PK04_181055 CCOC(=O)C1C2OC3(C=C2)C(N(C4CCC(O)CC4)C(=O)C13)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C14 compound treatment 0.564 -0.0537 -1.69 0.465 -0.0107 -0.32 -1.418 -0.8253 2065601 PK04_181056 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C15 mock treatment 0.573 -0.0447 -1.41 0.465 -0.0107 -0.32 -1.2179 -0.8452 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C16 mock treatment 0.565 -0.0527 -1.66 0.477 0.00131 0.04 -1.1443 -0.6903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C17 compound treatment 0.628 0.0103 0.32 0.476 3.11E-4 0.01 0.2355 0.727 3561897 PK04_181057 OC1CCC(CC1)N2C(C(=O)NCc3ccccc3)C4(OC5C=C4)C(C5C(=O)OCC=C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C18 compound treatment 0.623 0.0053 0.17 0.472 -0.00369 -0.11 0.0405 0.2033 3057099 PK04_181058 O=C(NCc1ccccc1)C(OC(=O)c2ccccc2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C19 compound treatment 0.59 -0.0277 -0.87 0.441 -0.0347 -1.03 -1.3428 -0.9966 3561892 PK04_181059 CCOC(=O)C1C2OC3(C=C2)C(N(CCCCCCO)C(=O)C13)C(=O)N(CC=C)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C20 compound treatment 0.684 0.0663 2.08 0.457 -0.0187 -0.55 1.0825 0.5019 3057100 PK04_181060 COc1ccc(NC(=O)C(OC(=O)c2ccccc2)c3ccco3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C21 compound treatment 0.658 0.0403 1.27 0.453 -0.0227 -0.67 0.4206 0.2932 3561898 PK04_181061 CC(CO)N1[C@@H]2C(=O)N(Cc3ccccc3)CC=C[C@]42O[C@@H]5/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C22 compound treatment 0.605 -0.0127 -0.4 0.47 -0.00569 -0.17 -0.4016 -0.9264 3176076 PK04_181062 CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C23 compound treatment 0.473 -0.145 -4.55 0.442 -0.0337 -1.0 -3.9232 -0.8422 3561899 PK04_181063 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 C24 compound treatment 0.466 -0.152 -4.77 0.493 0.0173 0.51 -3.0102 -0.6274 2065566 PK04_181064 CCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D01 compound treatment 0.476 -0.142 -4.46 0.498 0.0223 0.66 -2.6831 -0.5957 3561900 PK04_181065 COCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D02 compound treatment 0.581 -0.0367 -1.15 0.476 3.11E-4 0.01 -0.8095 -0.7014 3561901 PK04_181066 COc1cc(OC)c(CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D03 compound treatment 0.739 0.121 3.81 0.597 0.121 3.59 5.2387 0.9996 3561902 PK04_181067 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D04 compound treatment 0.635 0.0173 0.54 0.462 -0.0137 -0.41 0.0978 0.1441 3561903 PK04_181068 COc1ccc(CN(C(COC(=O)c2cccc(OC)c2O)C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D05 compound treatment 0.663 0.0453 1.42 0.476 3.11E-4 0.01 1.0137 0.7117 3215593 PK04_181069 OCCSCC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D06 compound treatment 0.68 0.0623 1.96 0.451 -0.0247 -0.73 0.8678 0.415 3561904 PK04_181070 COC(=O)C1CC=C(CC1C(=O)OC)N(Cc2ccc(OC)cc2)S(=O)(=O)c3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D07 compound treatment 0.722 0.104 3.28 0.484 0.00831 0.25 2.4931 0.7581 3561905 PK04_181071 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CN(C)Cc3ccccc3)CC(O2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D08 compound treatment 0.649 0.0313 0.98 0.453 -0.0227 -0.67 0.2205 0.185 3561906 PK04_181072 COc1ccc(CN([C@H](COC(=O)c2ccc(cc2)[N+](=O)[O-])C=C)S(=O)(=O)c3ccc(Br)cc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D09 compound treatment 0.654 0.0363 1.14 0.486 0.0103 0.31 1.0231 0.8659 3561908 PK04_181073 OC(CSc1nc2ccccc2o1)CC(O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D10 compound treatment 0.59 -0.0277 -0.87 0.452 -0.0237 -0.7 -1.1123 -0.9943 3561909 PK04_181074 Brc1ccc(cc1)N2C(CN(C2=O)S(=O)(=O)c3ccc(Br)cc3)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D11 mock treatment 0.674 0.0563 1.77 0.455 -0.0207 -0.61 0.8182 0.4368 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D12 mock treatment 0.677 0.0593 1.86 0.452 -0.0237 -0.7 0.8221 0.4126 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D13 compound treatment 0.639 0.0213 0.67 0.46 -0.0157 -0.46 0.1448 0.1776 3561910 PK04_181075 COC(=O)CCCCCCC(=O)NOCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D14 compound treatment 0.443 -0.175 -5.49 0.434 -0.0417 -1.24 -4.7578 -0.845 3561911 PK04_181076 COc1ccc(CN([C@H](CI)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D15 mock treatment 0.44 -0.178 -5.59 0.455 -0.0207 -0.61 -4.3845 -0.78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D16 mock treatment 0.465 -0.153 -4.8 0.465 -0.0107 -0.32 -3.6191 -0.7521 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D17 compound treatment 0.608 -0.0097 -0.31 0.458 -0.0177 -0.52 -0.5864 -0.9668 3561913 PK04_181077 OC(=O)CCCCCCC(=O)NOCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D18 compound treatment 0.614 -0.0037 -0.12 0.47 -0.00569 -0.17 -0.2015 -0.9837 3561914 PK04_181078 COc1ccc(CN(C2=CCC3C(C2)C(=O)N(C)C3=O)S(=O)(=O)c4ccc(Br)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D19 compound treatment 0.532 -0.0857 -2.69 0.449 -0.0267 -0.79 -2.4647 -0.8776 3561915 PK04_181079 OCc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D20 compound treatment 0.716 0.0983 3.09 0.52 0.0443 1.31 3.114 0.9273 3561916 PK04_181080 COCCCN(CC(O)CO)C[C@]1(O)CCC2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@@]54C=C[C@]23C(=C5)C(=O)c6ccc(OC)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D21 compound treatment 0.646 0.0283 0.89 0.448 -0.0277 -0.82 0.049 0.0405 3561917 PK04_181081 O=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D22 compound treatment 0.627 0.0093 0.29 0.454 -0.0217 -0.64 -0.2477 -0.3509 3561918 PK04_181082 COCCCN(CC(O)CO)C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D23 compound treatment 0.553 -0.0647 -2.03 0.473 -0.00269 -0.08 -1.4949 -0.7342 3561919 PK04_181083 OC(CN=[N+]=[N-])CC(O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 D24 compound treatment 0.474 -0.144 -4.52 0.502 0.0263 0.78 -2.6438 -0.5766 3561920 PK04_181084 COCCCN(C[C@]1(O)CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(=O)O[C@H]5C[C@@H](C)CC[C@@H]5C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E01 mock treatment 0.478 -0.14 -4.39 0.52 0.0443 1.31 -2.1777 -0.475 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E02 mock treatment 0.593 -0.0247 -0.78 0.493 0.0173 0.51 -0.1865 -0.2004 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E03 compound treatment 0.618 2.97E-4 0.01 0.465 -0.0107 -0.32 -0.2173 -0.6859 3561899 PK04_181085 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E04 compound treatment 0.645 0.0273 0.86 0.465 -0.0107 -0.32 0.383 0.4186 2065568 PK04_181086 CCCCCNC(=O)C(OC(=O)c1ccccc1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E05 compound treatment 0.641 0.0233 0.73 0.434 -0.0417 -1.24 -0.3555 -0.2475 3561899 PK04_181087 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E06 compound treatment 0.682 0.0643 2.02 0.473 -0.00269 -0.08 1.3732 0.6787 2065570 PK04_181088 O=C(NCc1ccccc1)C(COCc2ccccc2)OC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E07 compound treatment 0.705 0.0873 2.74 0.506 0.0303 0.9 2.5761 0.8919 3561899 PK04_181089 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E08 compound treatment 0.699 0.0813 2.56 0.518 0.0423 1.25 2.6941 0.9462 2065572 PK04_181090 COc1ccc(NC(=O)C(COCc2ccccc2)OC(=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E09 mock treatment 0.674 0.0563 1.77 0.509 0.0333 0.99 1.9497 0.962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E10 mock treatment 0.662 0.0443 1.39 0.515 0.0393 1.16 1.8086 0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E11 compound treatment 0.65 0.0323 1.02 0.524 0.0483 1.43 1.7304 0.9859 3561921 PK04_181091 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E12 compound treatment 0.571 -0.0467 -1.47 0.546 0.0703 2.08 0.4348 0.1706 2065574 PK04_181092 CC(C)(C)NC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E13 compound treatment 0.662 0.0443 1.39 0.534 0.0583 1.73 2.2067 0.9943 3561922 PK04_181093 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(Cc4ccc(OC)cc4)C(=O)[C@@H]13)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E14 compound treatment 0.584 -0.0337 -1.06 0.514 0.0383 1.14 0.0534 0.0344 2065576 PK04_181094 CCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E15 compound treatment 0.451 -0.167 -5.24 0.477 0.00131 0.04 -3.679 -0.7018 3561841 PK04_181095 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E16 compound treatment 0.453 -0.165 -5.18 0.469 -0.00669 -0.2 -3.8021 -0.7336 2065599 PK04_181096 CCCCCNC(=O)C(COCc1ccccc1)OC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E17 mock treatment 0.589 -0.0287 -0.9 0.462 -0.0137 -0.41 -0.925 -0.9348 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E18 mock treatment 0.535 -0.0827 -2.6 0.46 -0.0157 -0.46 -2.1675 -0.8205 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E19 compound treatment 0.575 -0.0427 -1.34 0.453 -0.0227 -0.67 -1.4248 -0.9489 3561841 PK04_181097 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E20 compound treatment 0.633 0.0153 0.48 0.455 -0.0207 -0.61 -0.0934 -0.1198 3561923 PK04_181098 CCCNC(=O)COc1ccc(C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E21 compound treatment 0.672 0.0543 1.71 0.46 -0.0157 -0.46 0.8785 0.4965 3561841 PK04_181099 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E22 compound treatment 0.647 0.0293 0.92 0.468 -0.00769 -0.23 0.4903 0.5167 3561924 PK04_181100 CCCNC(=O)Cc1ccc(N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E23 compound treatment 0.576 -0.0417 -1.31 0.478 0.00231 0.07 -0.8788 -0.6693 3561841 PK04_181101 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 E24 compound treatment 0.466 -0.152 -4.77 0.497 0.0213 0.63 -2.9264 -0.6082 3561925 PK04_181102 CCOC(=O)/C=C/c1ccccc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F01 mock treatment 0.487 -0.131 -4.11 0.5 0.0243 0.72 -2.3966 -0.5744 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F02 mock treatment 0.63 0.0123 0.39 0.493 0.0173 0.51 0.6361 0.9903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F03 compound treatment 0.623 0.0053 0.17 0.524 0.0483 1.43 1.13 0.7841 3561927 PK04_181103 OC(CSc1nc(c(o1)c2ccccc2)c3ccccc3)CC(O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F04 compound treatment 0.617 -7.03E-4 -0.02 0.458 -0.0177 -0.52 -0.3862 -0.7363 1366116 PK04_181104 Brc1ccc2ncnc(NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F05 compound treatment 0.67 0.0523 1.64 0.465 -0.0107 -0.32 0.9388 0.5606 3561928 PK04_181105 CN(CC1CC(OC(O1)c2ccc(NC(=O)CCCCCCC(=O)O)cc2)c3ccccc3)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F06 compound treatment 0.689 0.0713 2.24 0.496 0.0203 0.6 2.0108 0.8663 1945167 PK04_181106 C/C(=C/C(=O)c1ccc(Cl)cc1)/Nc2cccc(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F07 compound treatment 0.694 0.0763 2.4 0.518 0.0423 1.25 2.5829 0.9542 3561929 PK04_181107 OC(CSc1nc2ccccc2s1)CC(O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F08 compound treatment 0.706 0.0883 2.78 0.543 0.0673 1.99 3.3735 0.9868 1448632 PK04_181108 Nn1cnc2-c3ccccc3CC4(CCCC4)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F09 mock treatment 0.609 -0.0087 -0.27 0.531 0.0553 1.64 0.9654 0.581 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F10 mock treatment 0.653 0.0353 1.11 0.552 0.0763 2.26 2.3837 0.9463 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F11 compound treatment 0.692 0.0743 2.34 0.559 0.0833 2.47 3.3975 0.9996 3561930 PK04_181109 OC(CSc1ccccn1)CC(O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F12 compound treatment 0.665 0.0473 1.49 0.586 0.11 3.27 3.3629 0.9365 3561931 PK04_181110 [O-][N+](=O)c1ccccc1/C=C/c2ccncc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F13 compound treatment 0.643 0.0253 0.8 0.593 0.117 3.48 3.0204 0.847 3561933 PK04_181111 ONC(=O)CCCCCCC(=O)NOCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F14 compound treatment 0.564 -0.0537 -1.69 0.571 0.0953 2.82 0.803 0.244 1679359 PK04_181112 OC(=O)CCCN1C(=O)CSC1=S 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F15 compound treatment 0.447 -0.171 -5.37 0.525 0.0493 1.46 -2.7622 -0.4965 1020755 PK04_181113 O=C(C[n+]1ccc2ccccc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F16 compound treatment 0.461 -0.157 -4.93 0.512 0.0363 1.08 -2.7233 -0.54 3561934 PK04_181114 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F17 mock treatment 0.586 -0.0317 -1.0 0.493 0.0173 0.51 -0.3422 -0.3052 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F18 mock treatment 0.526 -0.0917 -2.88 0.475 -6.89E-4 -0.02 -2.0533 -0.7121 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F19 compound treatment 0.468 -0.15 -4.71 0.458 -0.0177 -0.52 -3.6991 -0.781 3561936 PK04_181115 Brc1c2OCOc2ccc1C[n+]3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F20 compound treatment 0.568 -0.0497 -1.56 0.518 0.0423 1.25 -0.2185 -0.1091 3561937 PK04_181116 COc1ccc(cc1)S(=O)(=O)Nc2ccccc2/C=C/c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F21 compound treatment 0.667 0.0493 1.55 0.464 -0.0117 -0.35 0.8512 0.5359 3561939 PK04_181117 CC(C)(C)[Si](C)(C)Oc1ccc2cc[n+](Cc3ccccc3Br)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F22 compound treatment 0.625 0.0073 0.23 0.467 -0.00869 -0.26 -0.0198 -0.0574 1936946 PK04_181118 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F23 compound treatment 0.547 -0.0707 -2.22 0.421 -0.0547 -1.62 -2.7179 -0.9879 3561940 PK04_181119 COc1ccc(Br)c(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 F24 compound treatment 0.479 -0.139 -4.36 0.521 0.0453 1.34 -2.1345 -0.4678 3561941 PK04_181120 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G01 compound treatment 0.493 -0.125 -3.92 0.511 0.0353 1.05 -2.0328 -0.5009 3561841 PK04_181121 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G02 compound treatment 0.613 -0.0047 -0.15 0.463 -0.0127 -0.38 -0.3704 -0.9168 3561943 PK04_181122 O=C1CSC(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G03 mock treatment 0.631 0.0133 0.42 0.463 -0.0127 -0.38 0.0298 0.053 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G04 mock treatment 0.645 0.0273 0.86 0.457 -0.0187 -0.55 0.2154 0.2108 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G05 compound treatment 0.67 0.0523 1.64 0.492 0.0163 0.48 1.5045 0.8778 PK04_181123 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G06 compound treatment 0.622 0.0043 0.14 0.463 -0.0127 -0.38 -0.1703 -0.4263 3561944 PK04_181124 CC(C)(C)c1ccc(cc1)N2C(SCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G07 compound treatment 0.669 0.0513 1.61 0.524 0.0483 1.43 2.1528 0.9982 PK04_181125 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G08 compound treatment 0.695 0.0773 2.43 0.505 0.0293 0.87 2.3328 0.9038 3561945 PK04_181126 CCOC(=O)/C=C(\C)/c1ccccc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G09 compound treatment 0.707 0.0893 2.81 0.568 0.0923 2.74 3.9196 0.9999 3561841 PK04_181127 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G10 compound treatment 0.666 0.0483 1.52 0.588 0.112 3.33 3.4271 0.9368 3561947 PK04_181128 CCOC(=O)/C=C/c1c(OC)cccc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G11 compound treatment 0.547 -0.0707 -2.22 0.616 0.14 4.16 1.3679 0.2901 3561899 PK04_181129 CC(CO)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G12 compound treatment 0.459 -0.159 -4.99 0.602 0.126 3.74 -0.882 -0.1414 3561949 PK04_181130 CCCNC(=O)Cc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G13 compound treatment 0.436 -0.182 -5.71 0.643 0.167 4.96 -0.5343 -0.0706 3561950 PK04_181131 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)c6cccc(Cl)c6CO)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G14 compound treatment 0.566 -0.0517 -1.63 0.623 0.147 4.37 1.937 0.4158 3561952 PK04_181132 COc1cc(/C=C/CO)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G15 compound treatment 0.487 -0.131 -4.11 0.615 0.139 4.13 0.0129 0.0022 3561841 PK04_181133 COc1ccc(CN2[C@@H]3C(=O)N(Cc4ccccc4)CC=C[C@]53O[C@@H]6/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]6[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G16 compound treatment 0.441 -0.177 -5.56 0.563 0.0873 2.59 -2.0994 -0.3425 3561954 PK04_181134 COc1ccccc1/C=C/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G17 compound treatment 0.684 0.0663 2.08 0.549 0.0733 2.17 3.0101 0.9998 3561956 PK04_181135 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G18 compound treatment 0.638 0.0203 0.64 0.496 0.0203 0.6 0.8769 0.9996 3561958 PK04_181136 O=C1CS(=O)(=O)C(N1c2ccc(cc2)c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G19 mock treatment 0.501 -0.117 -3.67 0.489 0.0133 0.39 -2.3158 -0.6275 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G20 mock treatment 0.457 -0.161 -5.05 0.447 -0.0287 -0.85 -4.1742 -0.8146 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G21 compound treatment 0.658 0.0403 1.27 0.475 -6.89E-4 -0.02 0.8815 0.6956 3561959 PK04_181137 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G22 compound treatment 0.624 0.0063 0.2 0.458 -0.0177 -0.52 -0.2306 -0.4116 3561961 PK04_181138 CC(C)(C)c1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G23 compound treatment 0.573 -0.0447 -1.41 0.47 -0.00569 -0.17 -1.1131 -0.7863 3561959 PK04_181139 CC(CO)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O[C@@H]([C@@H](C)N(C)C(=O)CCC=C)c5ccccc5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 G24 compound treatment 0.475 -0.143 -4.49 0.5 0.0243 0.72 -2.6634 -0.5861 2093329 PK04_181140 COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H01 compound treatment 0.49 -0.128 -4.02 0.526 0.0503 1.49 -1.7852 -0.4168 3561962 PK04_181141 Brc1ccccc1C(=O)[n+]2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H02 compound treatment 0.631 0.0133 0.42 0.497 0.0213 0.63 0.7422 0.98 3561963 PK04_181142 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H03 mock treatment 0.625 0.0073 0.23 0.467 -0.00869 -0.26 -0.0198 -0.0574 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H04 mock treatment 0.624 0.0063 0.2 0.488 0.0123 0.36 0.398 0.9588 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H05 compound treatment 0.628 0.0103 0.32 0.497 0.0213 0.63 0.6755 0.9518 3561965 PK04_181143 COc1cc2CC[N+](=Cc2cc1O[Si](C)(C)C(C)(C)C)Cc3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H06 compound treatment 0.655 0.0373 1.17 0.526 0.0503 1.49 1.8834 0.9929 3561966 PK04_181144 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H07 compound treatment 0.633 0.0153 0.48 0.504 0.0283 0.84 0.9333 0.9651 3561968 PK04_181145 COc1cc2CC[N+](=Cc2cc1OC)C(=O)c3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H08 compound treatment 0.715 0.0973 3.06 0.617 0.141 4.19 5.1242 0.9881 3561969 PK04_181146 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H09 compound treatment 0.742 0.124 3.91 0.655 0.179 5.31 6.5207 0.9886 3561971 PK04_181147 Oc1ccc2CCN(Cc3ccccc3Br)C(C=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H10 compound treatment 0.685 0.0673 2.12 0.622 0.146 4.34 4.5619 0.9456 3561972 PK04_181148 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(O)(C4)C3)C5)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H11 compound treatment 0.539 -0.0787 -2.47 0.608 0.132 3.92 1.0224 0.2205 3561974 PK04_181149 Brc1c[n+](Cc2ccccc2)cc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H12 compound treatment 0.492 -0.126 -3.95 0.678 0.202 5.99 1.4441 0.2011 3561975 PK04_181150 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NCC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H13 compound treatment 0.417 -0.201 -6.31 0.579 0.103 3.06 -2.2978 -0.3276 3561977 PK04_181151 COc1ccc(Br)c(C[n+]2cc(Br)c3ccccc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H14 compound treatment 0.692 0.0743 2.34 0.647 0.171 5.08 5.2414 0.938 3561978 PK04_181152 COc1ccccc1/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H15 compound treatment 0.506 -0.112 -3.51 0.599 0.123 3.65 0.1001 0.0198 1003512 PK04_181153 C[n+]1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H16 compound treatment 0.493 -0.125 -3.92 0.629 0.153 4.54 0.4397 0.0733 3561980 PK04_181154 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H17 compound treatment 0.654 0.0363 1.14 0.552 0.0763 2.26 2.406 0.9499 1032420 PK04_181155 C(c1ccccc1)[n+]2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H18 compound treatment 0.654 0.0363 1.14 0.538 0.0623 1.85 2.1126 0.9733 3561982 PK04_181156 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H19 mock treatment 0.564 -0.0537 -1.69 0.485 0.00931 0.28 -0.9989 -0.5838 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H20 mock treatment 0.586 -0.0317 -1.0 0.474 -0.00169 -0.05 -0.7403 -0.7417 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H21 compound treatment 0.579 -0.0387 -1.22 0.432 -0.0437 -1.29 -1.7759 -0.9995 3561984 PK04_181157 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H22 compound treatment 0.678 0.0603 1.9 0.515 0.0393 1.16 2.1643 0.9726 3561985 PK04_181158 O=C1C=C[C@@H]2[C@@H]3C=C[C@H]([C@@H]2[C@]41CO4)[C@@]5(CO5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H23 compound treatment 0.633 0.0153 0.48 0.523 0.0473 1.4 1.3314 0.8983 3561987 PK04_181159 COc1ccc(Br)c(C[n+]2ccc3c(cccc3c2)[N+](=O)[O-])c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 H24 compound treatment 0.484 -0.134 -4.2 0.504 0.0283 0.84 -2.3795 -0.5551 3561988 PK04_181160 CC1(C)C[C@H]2C[C@H]3C(=C[C@]2(CO1)C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I01 compound treatment 0.488 -0.13 -4.08 0.519 0.0433 1.28 -1.9763 -0.4622 3561956 PK04_181161 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4cccc(Cl)c4CO)C(=O)N(CC=C)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I02 compound treatment 0.621 0.0033 0.1 0.49 0.0143 0.42 0.3732 0.8548 3561990 PK04_181162 CCCNC(=O)Cc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I03 compound treatment 0.685 0.0673 2.12 0.472 -0.00369 -0.11 1.419 0.6697 3561991 PK04_181163 OCc1c(Cl)cccc1N2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OCC=C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I04 compound treatment 0.645 0.0273 0.86 0.459 -0.0167 -0.49 0.2573 0.2597 3561993 PK04_181164 COc1ccccc1/C(=C/CO)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I05 mock treatment 0.627 0.0093 0.29 0.458 -0.0177 -0.52 -0.1639 -0.2731 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I06 mock treatment 0.603 -0.0147 -0.46 0.467 -0.00869 -0.26 -0.5089 -0.9618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I07 compound treatment 0.647 0.0293 0.92 0.514 0.0383 1.14 1.4541 0.9946 3561995 PK04_181165 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I08 compound treatment 0.631 0.0133 0.42 0.57 0.0943 2.79 2.2717 0.804 3561996 PK04_181166 COc1ccccc1/C(=C/C=O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I09 compound treatment 0.682 0.0643 2.02 0.594 0.118 3.51 3.9085 0.9658 3561998 PK04_181167 OCc1c(Cl)cccc1N2[C@@H](C(=O)NCc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I10 compound treatment 0.704 0.0863 2.71 0.604 0.128 3.8 4.6072 0.9863 2069262 PK04_181168 COc1cc(/C=C/C=O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I11 compound treatment 0.565 -0.0527 -1.66 0.589 0.113 3.36 1.2024 0.3211 3562000 PK04_181169 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)c4ccccc4Cl)C(=O)N(CC=C)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I12 compound treatment 0.545 -0.0727 -2.29 0.607 0.131 3.89 1.1349 0.2515 3562002 PK04_181170 CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I13 compound treatment 0.556 -0.0617 -1.94 0.651 0.175 5.19 2.3014 0.415 3562003 PK04_181171 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccccc4)[C@@H]5C(=O)N(Cc6ccccc6)CC=C[C@]35O[C@@H]2/C=C/CCC(=O)N1C)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I14 compound treatment 0.676 0.0583 1.83 0.592 0.116 3.45 3.7332 0.9563 3562005 PK04_181172 COc1cccc(OC)c1/C=C/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I15 compound treatment 0.685 0.0673 2.12 0.62 0.144 4.28 4.52 0.9474 3562007 PK04_181173 CCCCNC(=O)[C@@H]1N(C2CCCCC2)C(=O)[C@H]3[C@@H]([C@H]4O[C@@]13C=C4)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I16 compound treatment 0.596 -0.0217 -0.68 0.575 0.0993 2.94 1.5983 0.5291 3562009 PK04_181174 Clc1cccc(c1)N2C(SCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I17 compound treatment 0.65 0.0323 1.02 0.582 0.106 3.15 2.9456 0.89 3561995 PK04_181175 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I18 compound treatment 0.643 0.0253 0.8 0.509 0.0333 0.99 1.2604 0.9943 3065130 PK04_181176 Clc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I19 compound treatment 0.638 0.0203 0.64 0.459 -0.0167 -0.49 0.1016 0.1259 3562010 PK04_181177 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I20 compound treatment 0.612 -0.0057 -0.18 0.475 -6.89E-4 -0.02 -0.1412 -0.7825 3562012 PK04_181178 OC/C=C/c1cccc(c1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I21 mock treatment 0.624 0.0063 0.2 0.456 -0.0197 -0.58 -0.2725 -0.4423 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I22 mock treatment 0.605 -0.0127 -0.4 0.443 -0.0327 -0.97 -0.9673 -0.9233 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I23 compound treatment 0.589 -0.0287 -0.9 0.487 0.0113 0.34 -0.4012 -0.4167 3562014 PK04_181179 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3C(=O)N([C@@H]4C(=O)N(Cc5ccccc5)CC=C[C@]34O[C@@H]2/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 I24 compound treatment 0.486 -0.132 -4.14 0.488 0.0123 0.36 -2.6703 -0.6423 3215604 PK04_181180 O=C/1N(C(c2ccccc2)S(=O)(=O)\C1=C/c3ccc4ccccc4c3)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J01 compound treatment 0.475 -0.143 -4.49 0.501 0.0253 0.75 -2.6425 -0.5809 3562016 PK04_181181 COc1ccc(Br)c(C[n+]2ccccc2C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J02 compound treatment 0.6 -0.0177 -0.56 0.486 0.0103 0.31 -0.1775 -0.2796 3562017 PK04_181182 OCCCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J03 compound treatment 0.635 0.0173 0.54 0.422 -0.0537 -1.59 -0.7403 -0.4403 3562019 PK04_181183 COc1ccc(Br)c(C[n+]2ccc3ccccc3c2C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J04 compound treatment 0.616 -0.0017 -0.05 0.458 -0.0177 -0.52 -0.4085 -0.7753 3562020 PK04_181184 OCCCCO[C@H]1C[C@H]2C(=C[C@]1(Br)C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J05 mock treatment 0.614 -0.0037 -0.12 0.457 -0.0187 -0.55 -0.4739 -0.8375 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J06 mock treatment 0.609 -0.0087 -0.27 0.46 -0.0157 -0.46 -0.5222 -0.9681 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J07 compound treatment 0.631 0.0133 0.42 0.487 0.0113 0.34 0.5327 0.994 3562022 PK04_181185 Cc1[n+](Cc2ccccc2)ccc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J08 compound treatment 0.648 0.0303 0.95 0.584 0.108 3.21 2.943 0.8791 3562023 PK04_181186 BrC1=C[C@@]2(Br)[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J09 compound treatment 0.6 -0.0177 -0.56 0.527 0.0513 1.52 0.6815 0.4209 3562025 PK04_181187 COc1ccc(Br)c(C[n+]2cccc3cc(OC)ccc23)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J10 compound treatment 0.703 0.0853 2.68 0.617 0.141 4.19 4.8573 0.9768 3562026 PK04_181188 COc1ccc(cc1OC)[C@H]2C[C@H]3C(=C[C@]2(Br)C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J11 compound treatment 0.667 0.0493 1.55 0.582 0.106 3.15 3.3236 0.9466 3562028 PK04_181189 COc1ccc(Br)c(C[N+]2=C(C)CCC2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J12 compound treatment 0.622 0.0043 0.14 0.59 0.114 3.39 2.4907 0.7347 3562029 PK04_181190 COc1ccc(CCNC(=O)[C@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J13 compound treatment 0.618 2.97E-4 0.01 0.582 0.106 3.15 2.2341 0.7092 3562031 PK04_181191 COc1ccc(Br)c(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J14 compound treatment 0.612 -0.0057 -0.18 0.614 0.138 4.1 2.7712 0.6755 3562032 PK04_181192 COc1ccc(CCNC(=O)[C@@]2(CC(=O)N(Cc3ccccc3)[C@@H]2c4ccccc4)c5cc(ccc5F)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J15 compound treatment 0.662 0.0443 1.39 0.565 0.0893 2.65 2.8562 0.9551 3562033 PK04_181193 COC(CN(Cc1cccc(OC)c1)S(=O)(=O)c2ccc(C)cc2)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J16 compound treatment 0.634 0.0163 0.51 0.588 0.112 3.33 2.7156 0.8065 3562034 PK04_181194 COc1ccc(CCN2C(=O)C3(CC(=O)N(Cc4ccccc4)C3c5ccccc5)c6cc(ccc26)[N+](=O)[O-])cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J17 compound treatment 0.64 0.0223 0.7 0.56 0.0843 2.5 2.2623 0.8719 3562035 PK04_181195 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J18 compound treatment 0.606 -0.0117 -0.37 0.495 0.0193 0.57 0.1444 0.2123 3562036 PK04_181196 C[C@@]1(CCc2ccccc2)C[C@@H](C[Si](C)(C)C(c3ccccc3)c4ccccc4)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J19 compound treatment 0.598 -0.0197 -0.62 0.445 -0.0307 -0.91 -1.0811 -0.9825 3562038 PK04_181197 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C#Cc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J20 compound treatment 0.613 -0.0047 -0.15 0.476 3.11E-4 0.01 -0.098 -0.6617 3562039 PK04_181198 CCCCCCC1C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J21 mock treatment 0.608 -0.0097 -0.31 0.466 -0.00969 -0.29 -0.4187 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J22 mock treatment 0.584 -0.0337 -1.06 0.464 -0.0117 -0.35 -0.9942 -0.8918 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J23 compound treatment 0.559 -0.0587 -1.85 0.494 0.0183 0.54 -0.9215 -0.479 3562041 PK04_181199 COc1cc2CCN(CC=C)C(C#Cc3ccccc3)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 J24 compound treatment 0.502 -0.116 -3.64 0.528 0.0523 1.55 -1.4765 -0.3734 3562042 PK04_181200 Cc1ccc(cc1)C2C[C@]3(CC[C@@H](CC3)C(C)(C)C)OO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K01 compound treatment 0.47 -0.148 -4.64 0.511 0.0353 1.05 -2.5441 -0.5344 3562010 PK04_181201 C[C@H]([C@H](OC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(C(=O)[C@@H]13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4)c5ccccc5)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K02 compound treatment 0.611 -0.0067 -0.21 0.491 0.0153 0.45 0.1718 0.3434 3215602 PK04_181202 Cc1c(NC(=O)/C(=C/c2ccc3ccccc3c2)/C#N)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K03 compound treatment 0.678 0.0603 1.9 0.5 0.0243 0.72 1.85 0.9122 3562044 PK04_181203 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K04 compound treatment 0.692 0.0743 2.34 0.48 0.00431 0.13 1.7423 0.7447 3562046 PK04_181204 COc1cccc(OC)c1/C=C/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K05 compound treatment 0.625 0.0073 0.23 0.453 -0.0227 -0.67 -0.3131 -0.4408 2065615 PK04_181205 COc1ccc(CN2[C@H]3C(=O)N(Cc4ccccc4)C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]5[C@H]6O[C@]3(C=C6)[C@H]5C2=O)c7ccccc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K06 compound treatment 0.674 0.0563 1.77 0.486 0.0103 0.31 1.4678 0.8171 3562048 PK04_181206 Clc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K07 mock treatment 0.624 0.0063 0.2 0.448 -0.0277 -0.82 -0.4401 -0.5215 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K08 mock treatment 0.625 0.0073 0.23 0.519 0.0433 1.28 1.0697 0.8205 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K09 compound treatment 0.646 0.0283 0.89 0.578 0.102 3.03 2.7729 0.8776 3562049 PK04_181207 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K10 compound treatment 0.636 0.0183 0.58 0.575 0.0993 2.94 2.4877 0.8296 3562051 PK04_181208 Clc1cccc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K11 compound treatment 0.693 0.0753 2.37 0.615 0.139 4.13 4.5931 0.9652 3562052 PK04_181209 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K12 compound treatment 0.663 0.0453 1.42 0.575 0.0993 2.94 3.088 0.9445 3562054 PK04_181210 O=C1CSCN1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K13 compound treatment 0.694 0.0763 2.4 0.579 0.103 3.06 3.861 0.9927 3562052 PK04_181211 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K14 compound treatment 0.661 0.0433 1.36 0.539 0.0633 1.88 2.2892 0.9876 1951450 PK04_181212 Cc1c(N2C(SCC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K15 mock treatment 0.69 0.0723 2.27 0.573 0.0973 2.88 3.6464 0.9931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K16 mock treatment 0.672 0.0543 1.71 0.566 0.0903 2.68 3.0995 0.9764 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K17 compound treatment 0.66 0.0423 1.33 0.537 0.0613 1.82 2.2251 0.9882 3562052 PK04_181213 CCCCCCN1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K18 compound treatment 0.644 0.0263 0.83 0.485 0.00931 0.28 0.7798 0.8946 3562055 PK04_181214 CN1C(SCC1=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K19 compound treatment 0.633 0.0153 0.48 0.477 0.00131 0.04 0.3676 0.7618 3562056 PK04_181215 COCOc1ccc2cc(Br)ccc2c1c3c(OCOC)ccc4cc(Br)ccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K20 compound treatment 0.631 0.0133 0.42 0.463 -0.0127 -0.38 0.0298 0.053 3562057 PK04_181216 O=C1CS(=O)(=O)CN1c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K21 compound treatment 0.63 0.0123 0.39 0.494 0.0183 0.54 0.6571 0.9862 3220192 PK04_181217 CC(CO)N1C2C(=O)N(Cc3ccccc3)CC=CC42OC5C=CCOC(=O)C5C4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K22 compound treatment 0.602 -0.0157 -0.49 0.466 -0.00969 -0.29 -0.5521 -0.9667 3562058 PK04_181218 CN1C(c2ccccc2)S(=O)(=O)CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K23 mock treatment 0.75 0.132 4.16 0.477 0.00131 0.04 2.969 0.7137 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 K24 mock treatment 0.489 -0.129 -4.05 0.492 0.0163 0.48 -2.5198 -0.6183 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L01 compound treatment 0.503 -0.115 -3.61 0.521 0.0453 1.34 -1.6009 -0.416 3562059 PK04_181219 COc1cc2CC[N+](=Cc2cc1OC)Cc3ccc(Br)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L02 compound treatment 0.587 -0.0307 -0.97 0.505 0.0293 0.87 -0.0685 -0.0527 3562060 PK04_181220 CCOC(=O)CCC1(C)C[C@]2(CC[C@@H](CC2)C(C)(C)C)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L03 compound treatment 0.634 0.0163 0.51 0.425 -0.0507 -1.5 -0.6997 -0.4409 3562062 PK04_181221 Cc1cc2ccccc2c[n+]1CCCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L04 compound treatment 0.709 0.0913 2.87 0.5 0.0243 0.72 2.5393 0.8579 3562063 PK04_181222 CC1(CCc2ccccc2)CC(CO)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L05 compound treatment 0.571 -0.0467 -1.47 0.426 -0.0497 -1.47 -2.0795 -1.0 3562064 PK04_181223 COc1ccc(Br)c(C[n+]2cc3ccccc3cc2C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L06 compound treatment 0.674 0.0563 1.77 0.481 0.00531 0.16 1.363 0.767 3562065 PK04_181224 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CC(C)(C)CO)OO2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L07 mock treatment 0.657 0.0393 1.24 0.466 -0.00969 -0.29 0.6707 0.5287 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L08 mock treatment 0.63 0.0123 0.39 0.466 -0.00969 -0.29 0.0704 0.1462 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L09 compound treatment 0.669 0.0513 1.61 0.507 0.0313 0.93 1.7966 0.9655 3562067 PK04_181225 CC1=[N+](C)C2C3CC=CC3C1c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L10 compound treatment 0.658 0.0403 1.27 0.554 0.0783 2.32 2.5368 0.9595 3562068 PK04_181226 CC(C)(C)[C@H]1CC[C@]2(CC(C)(CCO)OO2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L11 compound treatment 0.686 0.0683 2.15 0.549 0.0733 2.17 3.0546 1.0 1006359 PK04_181227 Cc1cccc[n+]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L12 compound treatment 0.707 0.0893 2.81 0.563 0.0873 2.59 3.8148 0.9992 3562070 PK04_181228 CC1(CCOCc2ccccc2)CC(C)(CCc3ccccc3)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L13 compound treatment 0.712 0.0943 2.97 0.558 0.0823 2.44 3.8212 0.9953 3562071 PK04_181229 C[n+]1cc2ccccc2cc1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L14 compound treatment 0.663 0.0453 1.42 0.522 0.0463 1.37 1.9775 0.9998 3562072 PK04_181230 COc1ccc(CN/2C(C3CC3)c4ccccc4C\C2=N\P(=O)(Oc5ccccc5)Oc6ccccc6)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L15 mock treatment 0.622 0.0043 0.14 0.499 0.0233 0.69 0.584 0.8297 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L16 mock treatment 0.659 0.0413 1.3 0.472 -0.00369 -0.11 0.8409 0.6453 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L17 compound treatment 0.66 0.0423 1.33 0.484 0.00831 0.25 1.1146 0.824 3562074 PK04_181231 CCCCOC1CC2[N+](=C(C)C1c3ccccc23)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L18 compound treatment 0.646 0.0283 0.89 0.481 0.00531 0.16 0.7404 0.8195 3562075 PK04_181232 CCCCCCC1C[C@]2(CCC[C@@H](C)C2)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L19 compound treatment 0.681 0.0633 1.99 0.473 -0.00269 -0.08 1.351 0.6783 3188663 PK04_181233 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L20 compound treatment 0.688 0.0703 2.21 0.502 0.0263 0.78 2.1143 0.902 3562077 PK04_181234 CC1(CCO)CC(C)(CCc2ccccc2)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L21 compound treatment 0.618 2.97E-4 0.01 0.456 -0.0197 -0.58 -0.4059 -0.6957 3070955 PK04_181235 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L22 compound treatment 0.623 0.0053 0.17 0.482 0.00631 0.19 0.25 0.9983 3562078 PK04_181236 COC(=O)CC1(C)CC(C)(CCc2ccccc2)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L23 mock treatment 0.503 -0.115 -3.61 0.468 -0.00769 -0.23 -2.7114 -0.7503 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 L24 mock treatment 0.502 -0.116 -3.64 0.508 0.0323 0.96 -1.8955 -0.5039 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M01 compound treatment 0.537 -0.0807 -2.54 0.577 0.101 3.0 0.3284 0.0835 3562079 PK04_181237 CC(C)(C)N1[C@H]2C(=O)N(Cc3ccccc3)C/C=C\COC(=O)[C@@H]4[C@H]5O[C@]2(C=C5)[C@H]4C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M02 compound treatment 0.597 -0.0207 -0.65 0.524 0.0483 1.43 0.552 0.351 3562081 PK04_181238 Clc1ccccc1/C=C/C=C\2/C(=O)N(CS2(=O)=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M03 compound treatment 0.694 0.0763 2.4 0.498 0.0223 0.66 2.1639 0.8696 3562049 PK04_181239 CC(C)(C)N1[C@@H](C(=O)N(CC=C)Cc2ccccc2)[C@]3(O[C@H]4C=C3)[C@H]([C@@H]4C(=O)OCC=C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M04 compound treatment 0.727 0.109 3.44 0.52 0.0443 1.31 3.3586 0.9129 3562083 PK04_181240 CN1C(c2ccccc2)S(=O)(=O)/C(=C\C=C\c3ccccc3Cl)/C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M05 compound treatment 0.664 0.0463 1.46 0.501 0.0253 0.75 1.5597 0.9524 3562085 PK04_181241 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M06 compound treatment 0.65 0.0323 1.02 0.46 -0.0157 -0.46 0.3894 0.3486 1053847 PK04_181242 O=C1CSC(N1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M07 compound treatment 0.649 0.0313 0.98 0.47 -0.00569 -0.17 0.5767 0.5776 3562085 PK04_181243 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M08 compound treatment 0.709 0.0913 2.87 0.488 0.0123 0.36 2.2879 0.7906 3562087 PK04_181244 COc1ccccc1/C=C/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M09 mock treatment 0.623 0.0053 0.17 0.478 0.00231 0.07 0.1662 0.9229 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M10 mock treatment 0.642 0.0243 0.76 0.472 -0.00369 -0.11 0.4629 0.5998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M11 compound treatment 0.683 0.0653 2.05 0.505 0.0293 0.87 2.066 0.9267 3562085 PK04_181245 CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C=C2)[C@@H](N(CCCCCCO)C(=O)[C@@H]13)C(=O)NCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M12 compound treatment 0.689 0.0713 2.24 0.473 -0.00269 -0.08 1.5289 0.6815 3562088 PK04_181246 O=C1CS(=O)(=O)C(N1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M13 mock treatment 0.676 0.0583 1.83 0.474 -0.00169 -0.05 1.2608 0.6876 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M14 mock treatment 0.63 0.0123 0.39 0.461 -0.0147 -0.44 -0.0343 -0.059 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M15 compound treatment 0.676 0.0583 1.83 0.52 0.0443 1.31 2.2246 0.9866 3562089 PK04_181247 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M16 compound treatment 0.706 0.0883 2.78 0.507 0.0313 0.93 2.6193 0.8948 2118235 PK04_181248 [O-][N+](=O)c1cccc(/C=C/C=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M17 compound treatment 0.675 0.0573 1.8 0.499 0.0233 0.69 1.7624 0.9134 3562089 PK04_181249 CCCCCNC(=O)[C@@H]1N(C(=O)[C@H]2[C@@H]([C@H]3O[C@@]12C=C3)C(=O)OCC)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M18 compound treatment 0.617 -7.03E-4 -0.02 0.49 0.0143 0.42 0.2842 0.6694 3562090 PK04_181250 CC(C)Cc1ccc(/C=C/C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M19 compound treatment 0.651 0.0333 1.05 0.49 0.0143 0.42 1.0402 0.9208 3561852 PK04_181251 CCOC(=O)C1C2OC3(C=C2)C(N(C(=O)C13)C(C)(C)C)C(=O)N(CC=C)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M20 compound treatment 0.705 0.0873 2.74 0.523 0.0473 1.4 2.9323 0.9514 3215597 PK04_181252 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4cc(C)cc(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M21 compound treatment 0.67 0.0523 1.64 0.58 0.104 3.09 3.3484 0.9564 3562092 PK04_181253 O=C1C2C3C(OC42C=CCN(Cc5ccccc5)C(=O)C4N1C6CCCCC6)C=CCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M22 compound treatment 0.589 -0.0287 -0.9 0.479 0.00331 0.1 -0.5688 -0.6265 3562093 PK04_181254 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M23 compound treatment 0.516 -0.102 -3.2 0.53 0.0543 1.61 -1.1233 -0.3138 3562094 PK04_181255 O=C1C2C3C4OC2(C=C4)C(N1C5CCCCC5)C(=O)N(Cc6ccccc6)CCCCOC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 M24 compound treatment 0.505 -0.113 -3.54 0.511 0.0353 1.05 -1.766 -0.4779 3562095 PK04_181256 Cc1cc(C)cc(c1)N2C(c3ccccc3)S(=O)(=O)CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N01 compound treatment 0.472 -0.146 -4.58 0.482 0.00631 0.19 -3.1073 -0.6777 3188533 PK04_181257 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N02 compound treatment 0.55 -0.0677 -2.13 0.481 0.00531 0.16 -1.394 -0.653 3562096 PK04_181258 CC1(CCc2ccccc2)CC(C)(CC(=O)O)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N03 compound treatment 0.685 0.0673 2.12 0.508 0.0323 0.96 2.1733 0.9357 3562097 PK04_181259 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)[C@H](Cc4ccccc4)N2CC1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N04 compound treatment 0.658 0.0403 1.27 0.501 0.0253 0.75 1.4263 0.9687 3562099 PK04_181260 CC1(CCOCc2ccccc2)CC(C)(COCc3ccccc3)OO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N05 compound treatment 0.615 -0.0027 -0.08 0.482 0.00631 0.19 0.0722 0.3512 3562100 PK04_181261 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](Cc5ccccc5)OC(=O)[C@H](Cc6ccccc6)N4CC3=C[C@@H](C7CC7)n2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N06 compound treatment 0.651 0.0333 1.05 0.484 0.00831 0.25 0.9145 0.8502 3562102 PK04_181262 C[C@@H]1CCC[C@]2(CC(C)(CCOCc3ccccc3)OO2)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N07 compound treatment 0.681 0.0633 1.99 0.494 0.0183 0.54 1.791 0.8682 3562104 PK04_181263 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3[C@H]1Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N08 compound treatment 0.663 0.0453 1.42 0.464 -0.0117 -0.35 0.7622 0.52 3562106 PK04_181264 CC1(C)O[C@]2(C)CC[C@@H]1OO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N09 mock treatment 0.628 0.0103 0.32 0.459 -0.0167 -0.49 -0.1207 -0.2042 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N10 mock treatment 0.616 -0.0017 -0.05 0.472 -0.00369 -0.11 -0.1151 -0.9461 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N11 compound treatment 0.671 0.0533 1.68 0.473 -0.00269 -0.08 1.1287 0.6727 3188666 PK04_181265 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N12 compound treatment 0.682 0.0643 2.02 0.481 0.00531 0.16 1.5409 0.7599 3562108 PK04_181266 CC[C@]1(CC[C@@H]2OO1)OC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N13 mock treatment 0.675 0.0573 1.8 0.46 -0.0157 -0.46 0.9452 0.508 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N14 mock treatment 0.651 0.0333 1.05 0.464 -0.0117 -0.35 0.4954 0.4492 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N15 compound treatment 0.727 0.109 3.44 0.446 -0.0297 -0.88 1.8081 0.5097 3188536 PK04_181267 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N16 compound treatment 0.646 0.0283 0.89 0.497 0.0213 0.63 1.0757 0.9859 3562110 PK04_181268 CCC[C@]1(CC[C@@H]2OO1)OC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N17 compound treatment 0.619 0.0013 0.04 0.474 -0.00169 -0.05 -0.0065 -0.1012 3188535 PK04_181269 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N18 compound treatment 0.619 0.0013 0.04 0.485 0.00931 0.28 0.2239 0.8029 3562112 PK04_181270 CC1(C)O[C@]2(CCc3ccccc3)CC[C@@H]1OO2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N19 compound treatment 0.629 0.0113 0.36 0.479 0.00331 0.1 0.3206 0.8699 3070940 PK04_181271 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N20 compound treatment 0.64 0.0223 0.7 0.483 0.00731 0.22 0.649 0.8844 3562114 PK04_181272 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc(c(o3)c4ccccc4)c5ccccc5)CC(O2)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N21 compound treatment 0.642 0.0243 0.76 0.492 0.0163 0.48 0.882 0.9756 3188534 PK04_181273 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N22 compound treatment 0.507 -0.111 -3.48 0.488 0.0123 0.36 -2.2034 -0.6296 3562115 PK04_181274 CC(C)(C)[C@H]1CC[C@]2(CC(C[Si](C)(C)C)OO2)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N23 compound treatment 0.469 -0.149 -4.68 0.473 -0.00269 -0.08 -3.3626 -0.7191 3562117 PK04_181275 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@H](C4CC4)n5n([C@@H]3[C@H]2[C@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 N24 compound treatment 0.499 -0.119 -3.73 0.513 0.0373 1.11 -1.8574 -0.4772 1004341 PK04_181276 c1ccc2cnccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O01 compound treatment 0.772 0.154 4.85 0.545 0.0693 2.05 4.8829 0.9268 3562118 PK04_181277 CCOC(=O)[C@H]1C2OC3(C=C2)[C@H](N(C(=O)[C@H]13)c4cccc(Cl)c4CO)C(=O)NCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O02 compound treatment 0.523 -0.0947 -2.98 0.522 0.0463 1.37 -1.1353 -0.3462 3562120 PK04_181278 CCOc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)/C(=C\C=C\c4ccccc4OC)/C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O03 compound treatment 0.494 -0.124 -3.89 0.482 0.00631 0.19 -2.6182 -0.6723 3562122 PK04_181279 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O04 compound treatment 0.581 -0.0367 -1.15 0.553 0.0773 2.29 0.8038 0.3134 3562124 PK04_181280 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3cccc(c3)[N+](=O)[O-])S2(=O)=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O05 compound treatment 0.523 -0.0947 -2.98 0.446 -0.0297 -0.88 -2.7277 -0.8785 3562122 PK04_181281 C[C@@H]1[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C(=O)N(Cc5ccccc5)C/C=C/CCC(=O)N1C)C(C)(C)C)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O06 compound treatment 0.659 0.0413 1.3 0.575 0.0993 2.94 2.999 0.9324 3562126 PK04_181282 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4cc(C)cc(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O07 compound treatment 0.599 -0.0187 -0.59 0.518 0.0423 1.25 0.4707 0.3399 3562128 PK04_181283 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O08 compound treatment 0.588 -0.0297 -0.93 0.519 0.0433 1.28 0.2471 0.1557 3215600 PK04_181284 COc1ccccc1/C=C/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O09 compound treatment 0.578 -0.0397 -1.25 0.483 0.00731 0.22 -0.7296 -0.5758 3562128 PK04_181285 CCCCN1CC=C[C@@]23O[C@@H]4/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]4[C@H]3C(=O)N([C@@H]2C1=O)C(C)(C)C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O10 compound treatment 0.563 -0.0547 -1.72 0.483 0.00731 0.22 -1.0631 -0.6132 3562130 PK04_181286 OCCSCC(O)CC(O)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O11 mock treatment 0.587 -0.0307 -0.97 0.496 0.0203 0.6 -0.2571 -0.226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O12 mock treatment 0.55 -0.0677 -2.13 0.497 0.0213 0.63 -1.0588 -0.4768 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O13 compound treatment 0.558 -0.0597 -1.88 0.455 -0.0207 -0.61 -1.7609 -0.8917 3561848 PK04_181287 CCCCCN1C/C=C/CCC(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2[C@H]3O[C@]4(C=C3)[C@H]2C(=O)N([C@H]4C1=O)c5ccccc5Cl)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O14 compound treatment 0.57 -0.0477 -1.5 0.501 0.0253 0.75 -0.5303 -0.3162 3562131 PK04_181288 OC(CSc1ccncc1)CC(O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O15 compound treatment 0.571 -0.0467 -1.47 0.502 0.0263 0.78 -0.4871 -0.293 3562132 PK04_181289 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O16 compound treatment 0.553 -0.0647 -2.03 0.487 0.0113 0.34 -1.2016 -0.5828 3562134 PK04_181290 COC(=O)CCCCCCC(=O)Nc1ccc(C=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O17 compound treatment 0.561 -0.0567 -1.78 0.49 0.0143 0.42 -0.9609 -0.5243 3562132 PK04_181291 C[C@H](C(O)c1ccccc1)N(C)C(=O)CCC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O18 compound treatment 0.538 -0.0797 -2.51 0.512 0.0363 1.08 -1.0113 -0.3708 3562135 PK04_181292 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3ccccn3)CC(O2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O19 compound treatment 0.532 -0.0857 -2.69 0.491 0.0153 0.45 -1.5847 -0.5799 3561921 PK04_181293 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O20 compound treatment 0.522 -0.0957 -3.01 0.495 0.0193 0.57 -1.7232 -0.5626 3562136 PK04_181294 COC(=O)CCCCCCC(=O)Nc1ccc(cc1)C2OC(CSc3nc4ccccc4s3)CC(O2)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O21 compound treatment 0.463 -0.155 -4.86 0.48 0.00431 0.13 -3.3493 -0.6883 3561921 PK04_181295 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O22 compound treatment 0.477 -0.141 -4.42 0.504 0.0283 0.84 -2.5352 -0.563 3562137 PK04_181296 OC(CC=C)c1ccc(cc1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O23 compound treatment 0.505 -0.113 -3.54 0.525 0.0493 1.46 -1.4726 -0.3842 3561921 PK04_181297 COc1ccc(CN2[C@@H](C(=O)N(CC=C)Cc3ccccc3)[C@]4(O[C@H]5C=C4)[C@H]([C@@H]5C(=O)OC([C@@H](C)N(C)C(=O)CCC=C)c6ccccc6)C2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 O24 compound treatment 0.507 -0.111 -3.48 0.509 0.0333 0.99 -1.7634 -0.4874 3562138 PK04_181298 CC(C)(C)OC(=O)OC(CC=C)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P01 compound treatment 0.564 -0.0537 -1.69 0.574 0.0983 2.91 0.8659 0.2572 3562139 PK04_181299 COC(=O)C1(CCCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P02 compound treatment 0.536 -0.0817 -2.57 0.514 0.0383 1.14 -1.0138 -0.361 1015751 PK04_181300 Cc1ccncc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P03 compound treatment 0.491 -0.127 -3.98 0.496 0.0203 0.6 -2.3915 -0.5935 3562141 PK04_181301 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P04 compound treatment 0.509 -0.109 -3.42 0.533 0.0573 1.7 -1.2161 -0.3186 3562143 PK04_181302 COc1cc2CCN(=Cc2cc1OC)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P05 compound treatment 0.517 -0.101 -3.17 0.533 0.0573 1.7 -1.0382 -0.2889 3562144 PK04_181303 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CCCC=C[C@H]4[C@@H]3[C@@H](O)Cc5ccccc5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P06 compound treatment 0.503 -0.115 -3.61 0.508 0.0323 0.96 -1.8733 -0.502 1024512 PK04_181304 COc1cc2CCN=C(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P07 compound treatment 0.531 -0.0867 -2.73 0.532 0.0563 1.67 -0.7479 -0.234 3562146 PK04_181305 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P08 compound treatment 0.503 -0.115 -3.61 0.531 0.0553 1.64 -1.3914 -0.3512 3562148 PK04_181306 COc1cc2CC(C)N(=Cc2cc1OC)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P09 compound treatment 0.497 -0.121 -3.8 0.508 0.0323 0.96 -2.0067 -0.5127 3562149 PK04_181307 COC(=O)C1(CCCC1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P10 compound treatment 0.505 -0.113 -3.54 0.529 0.0533 1.58 -1.3888 -0.3579 1003512 PK04_181308 C[n+]1ccc2ccccc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P11 mock treatment 0.501 -0.117 -3.67 0.492 0.0163 0.48 -2.253 -0.6087 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P12 mock treatment 0.496 -0.122 -3.83 0.513 0.0373 1.11 -1.9242 -0.4831 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P13 compound treatment 0.522 -0.0957 -3.01 0.517 0.0413 1.22 -1.2623 -0.3885 3562151 PK04_181309 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C[C@](C)(OC)O[C@@H](Cc4ccccc4)[C@H]3/C=C/C5CC5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P14 compound treatment 0.505 -0.113 -3.54 0.525 0.0493 1.46 -1.4726 -0.3842 1009497 PK04_181310 Cc1cc[n+](C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P15 compound treatment 0.486 -0.132 -4.14 0.518 0.0423 1.25 -2.0417 -0.4719 3562153 PK04_181311 COC(=O)[C@@H]1N[C@H](SC1(C)C)[C@@H]2N(CC#C)[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P16 compound treatment 0.504 -0.114 -3.58 0.526 0.0503 1.49 -1.4739 -0.3805 1023898 PK04_181312 COc1cc2CC[N+](=Cc2cc1OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P17 compound treatment 0.492 -0.126 -3.95 0.518 0.0423 1.25 -1.9083 -0.4602 3562155 PK04_181313 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C[C@@H]3[C@@H](O)Cc4ccccc4)/C=C/C5CC5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P18 compound treatment 0.508 -0.11 -3.45 0.527 0.0513 1.52 -1.364 -0.3618 1071838 PK04_181314 COc1cc2CC[N+](=C(C)c2cc1OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P19 compound treatment 0.509 -0.109 -3.42 0.516 0.0403 1.19 -1.5723 -0.4342 3562157 PK04_181315 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)C41CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P20 compound treatment 0.515 -0.103 -3.23 0.53 0.0543 1.61 -1.1455 -0.3175 1023900 PK04_181316 COc1cc2CC(C)[N+](=Cc2cc1OC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P21 compound treatment 0.5 -0.118 -3.7 0.515 0.0393 1.16 -1.7933 -0.4622 3562159 PK04_181317 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=C[C@@H](C5CC5)n6n(C4[C@@H]3[C@@H](O)Cc7ccccc7)c(=O)n(C)c6=O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P22 compound treatment 0.489 -0.129 -4.05 0.53 0.0543 1.61 -1.7236 -0.3958 1107245 PK04_181318 COc1ccc(C[n+]2ccc3ccccc3c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P23 compound treatment 0.511 -0.107 -3.36 0.545 0.0693 2.05 -0.9202 -0.2339 3562161 PK04_181319 CC(=CCc1cc(/C=C/2\OC(=O)C(=C2O)c3cc4CCC(C)(C)Oc4cc3O)ccc1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2181 P24 compound treatment 0.506 -0.112 -3.51 0.531 0.0553 1.64 -1.3247 -0.3418 3562163 PK04_181320 COc1ccc(C[n+]2ccc(C)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A01 compound treatment 0.527 0.0404 1.27 0.543 0.052 1.54 1.988 0.9955 1952677 BCB03_000001 CCCCCCC#Cc1c(C(CC(=O)C)c2ccccc2)c(=O)oc3ccccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A02 compound treatment 0.481 -0.00556 -0.17 0.517 0.026 0.77 0.4204 0.5328 3092787 BCB03_000002 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A03 compound treatment 0.508 0.0214 0.67 0.51 0.019 0.56 0.8741 0.9959 1952679 BCB03_000003 Clc1ccc2oc(=O)cc(Sc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A04 compound treatment 0.476 -0.0106 -0.33 0.477 -0.014 -0.42 -0.5288 -0.9938 3092788 BCB03_000004 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccc2C(F)(F)F)c3ccccc3C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A05 compound treatment 0.519 0.0324 1.02 0.515 0.024 0.71 1.2234 0.9844 1952690 BCB03_000005 COC(=O)CC(C(=O)OC)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A06 compound treatment 0.528 0.0414 1.3 0.536 0.045 1.33 1.8635 0.9999 3001175 BCB03_000006 CON(C)C(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A07 compound treatment 0.486 -5.63E-4 -0.02 0.499 0.00797 0.24 0.1544 0.6523 1952707 BCB03_000007 CCCCSc1cc(=O)oc2cc(OC)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A08 compound treatment 0.493 0.00644 0.2 0.502 0.011 0.33 0.3729 0.974 3001176 BCB03_000008 CC(C)OC(=O)CC(=O)CC(O)c1ccc(cc1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A09 compound treatment 0.535 0.0484 1.52 0.531 0.04 1.18 1.9144 0.9923 1952793 BCB03_000009 FC(F)(F)c1ccc(cc1)C(=O)Oc2ccccc2C#Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A10 compound treatment 0.494 0.00744 0.23 0.498 0.00697 0.21 0.3114 0.9981 3001249 BCB03_000010 CC(C)OC(=O)CC(=O)CC(O)c1cccc(c1)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A11 compound treatment 0.518 0.0314 0.99 0.524 0.033 0.98 1.3898 1.0 1952795 BCB03_000011 COC(=O)/C=C/c1cc(OC)cc(C#Cc2ccc(Oc3ccccc3)c(OC)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A12 compound treatment 0.5 0.0134 0.42 0.508 0.017 0.5 0.6543 0.9963 3001250 BCB03_000012 CC(C)OC(=O)CC(=O)CC(O)c1cccc(C#N)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A13 mock treatment 0.507 0.0204 0.64 0.561 0.07 2.07 1.9204 0.8848 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A14 mock treatment 0.497 0.0104 0.33 0.494 0.00297 0.09 0.2943 0.866 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A15 compound treatment 0.507 0.0204 0.64 0.512 0.021 0.62 0.8937 0.9999 1952801 BCB03_000013 Oc1ccccc1C#Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A16 compound treatment 0.506 0.0194 0.61 0.499 0.00797 0.24 0.5991 0.9144 3001251 BCB03_000014 CC(C)OC(=O)CC(=O)CC(O)c1ccc(C#N)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A17 compound treatment 0.496 0.00944 0.3 0.505 0.014 0.41 0.5025 0.9867 1952761 BCB03_000015 COc1ccc(cc1)C(=C2C(=O)Oc3ccccc23)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A18 compound treatment 0.492 0.00544 0.17 0.495 0.00397 0.12 0.204 0.9833 3001252 BCB03_000016 COC(=O)C1=CCC(CC1)(C=C)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A19 compound treatment 0.516 0.0294 0.93 0.499 0.00797 0.24 0.8215 0.8599 1952804 BCB03_000017 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCCCC2)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A20 compound treatment 0.491 0.00444 0.14 0.491 -3.17E-5 0.0 0.098 0.7023 3001253 BCB03_000018 COC(=O)/C=C(/CC(O)c1cccc(Cl)c1)\OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A21 compound treatment 0.51 0.0234 0.74 0.499 0.00797 0.24 0.6881 0.8891 1952805 BCB03_000019 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(cc2c(coc12)C(O)(c3ccccc3)c4ccccc4)c5cc(I)cc(I)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A22 compound treatment 0.49 0.00344 0.11 0.49 -0.00103 -0.03 0.0548 0.488 3001254 BCB03_000020 OC(C/C(=C/C(=O)OCCF)/OCCF)c1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A23 compound treatment 0.514 0.0274 0.86 0.517 0.026 0.77 1.1541 0.9984 1952808 BCB03_000021 CCCCCc1cc2ccccc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 A24 compound treatment 0.5 0.0134 0.42 0.49 -0.00103 -0.03 0.2772 0.6542 3001255 BCB03_000022 CCO/C(=C\C(=O)OC)/CC(O)c1cccc(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B01 compound treatment 0.475 -0.0116 -0.36 0.478 -0.013 -0.39 -0.5301 -0.9995 3000770 BCB03_000023 Cc1ccc(cc1)S(=O)(=O)N2C[C@H]([C@@H](C[C@H]2c3ccccc3)Sc4ccccc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B02 compound treatment 0.482 -0.00456 -0.14 0.513 0.022 0.65 0.3589 0.5384 3070361 BCB03_000024 CN1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B03 compound treatment 0.458 -0.0286 -0.9 0.458 -0.033 -0.98 -1.3272 -0.9991 3000771 BCB03_000025 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B04 compound treatment 0.457 -0.0296 -0.93 0.457 -0.034 -1.01 -1.3703 -0.9992 3189527 BCB03_000026 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B05 compound treatment 0.441 -0.0456 -1.43 0.452 -0.039 -1.16 -1.8309 -0.9944 3092495 BCB03_000027 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B06 compound treatment 0.441 -0.0456 -1.43 0.441 -0.05 -1.48 -2.0613 -0.9999 3189528 BCB03_000028 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)/C(=N\P(=O)(Oc6ccccc6)Oc7ccccc7)/C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B07 compound treatment 0.45 -0.0366 -1.15 0.461 -0.03 -0.89 -1.4422 -0.992 3092496 BCB03_000029 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B08 compound treatment 0.464 -0.0226 -0.71 0.464 -0.027 -0.8 -1.068 -0.9982 3189529 BCB03_000030 CN1C(=O)C2C(C3C(C4CC4)N(C)C2C=C3c5ccc(CO)cc5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B09 compound treatment 0.464 -0.0226 -0.71 0.461 -0.03 -0.89 -1.1309 -0.9937 3000773 BCB03_000031 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B10 compound treatment 0.45 -0.0366 -1.15 0.459 -0.032 -0.95 -1.4841 -0.9955 3070364 BCB03_000032 CN1C(=O)C2C(C3C(N(C)C2C=C3CCCO)c4ccc(CN5CCCC5)cc4)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B11 compound treatment 0.459 -0.0276 -0.87 0.472 -0.019 -0.56 -1.0116 -0.9783 3000774 BCB03_000033 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B12 compound treatment 0.471 -0.0156 -0.49 0.471 -0.02 -0.59 -0.7657 -0.9954 3189532 BCB03_000034 CN/1C(C=C(CCCO)C\C1=N\P(=O)(Oc2ccccc2)Oc3ccccc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B13 mock treatment 0.454 -0.0326 -1.02 0.452 -0.039 -1.16 -1.5418 -0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B14 mock treatment 0.459 -0.0276 -0.87 0.45 -0.041 -1.22 -1.4725 -0.9862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B15 compound treatment 0.419 -0.0676 -2.12 0.446 -0.045 -1.33 -2.4457 -0.9749 3000775 BCB03_000035 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B16 compound treatment 0.457 -0.0296 -0.93 0.45 -0.041 -1.22 -1.517 -0.9912 3189533 BCB03_000036 CC1C=C(CCCO)C/C(=N/P(=O)(Oc2ccccc2)Oc3ccccc3)/N1Cc4cccc(OC(F)(F)F)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B17 compound treatment 0.436 -0.0506 -1.59 0.433 -0.058 -1.72 -2.3401 -0.9992 3092507 BCB03_000037 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B18 compound treatment 0.463 -0.0236 -0.74 0.461 -0.03 -0.89 -1.1531 -0.9959 3189534 BCB03_000038 CN1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B19 compound treatment 0.452 -0.0346 -1.09 0.438 -0.053 -1.57 -1.8796 -0.9838 3092508 BCB03_000039 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B20 compound treatment 0.45 -0.0366 -1.15 0.431 -0.06 -1.78 -2.0708 -0.9777 3070367 BCB03_000040 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B21 compound treatment 0.429 -0.0576 -1.81 0.43 -0.061 -1.81 -2.5586 -1.0 3000857 BCB03_000041 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(F)cc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B22 compound treatment 0.46 -0.0266 -0.84 0.464 -0.027 -0.8 -1.157 -0.9998 3189537 BCB03_000042 CN1C(=O)C2C(C3C(N(C)C2C=C3c4ccc(CO)cc4)c5cccs5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B23 compound treatment 0.464 -0.0226 -0.71 0.447 -0.044 -1.3 -1.4242 -0.959 3000858 BCB03_000043 CCOC(=O)C1=C[C@H](N([C@H]1c2ccc(Cl)c(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 B24 compound treatment 0.486 -5.63E-4 -0.02 0.485 -0.00603 -0.18 -0.1389 -0.7733 3189538 BCB03_000044 CN1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C01 compound treatment 0.5 0.0134 0.42 0.507 0.016 0.47 0.6333 0.9984 1952809 BCB03_000045 CC(=O)Oc1ccccc1C#Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C02 compound treatment 0.478 -0.00856 -0.27 0.477 -0.014 -0.42 -0.4844 -0.9779 3092872 BCB03_000046 FCCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C03 compound treatment 0.467 -0.0196 -0.62 0.469 -0.022 -0.65 -0.8966 -0.9996 1952811 BCB03_000047 CC(C)(C)[Si](C)(C)Oc1ccc(C#C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C04 compound treatment 0.506 0.0194 0.61 0.493 0.00197 0.06 0.4734 0.7711 3000746 BCB03_000048 CC(C)OC(=O)C1=CCC(O1)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C05 compound treatment 0.488 0.00144 0.05 0.484 -0.00703 -0.21 -0.1154 -0.5411 1952813 BCB03_000049 OCCCC#Cc1cc(O)cc(Cl)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C06 compound treatment 0.488 0.00144 0.05 0.476 -0.015 -0.45 -0.283 -0.6321 3000748 BCB03_000050 CCOC(=O)C1=CCC(O1)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C07 compound treatment 0.502 0.0154 0.49 0.512 0.021 0.62 0.7826 0.9925 1952814 BCB03_000051 CC(=O)Cc1c(Cl)cc(cc1I)C(=O)NCCO[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C08 compound treatment 0.481 -0.00556 -0.17 0.482 -0.00903 -0.27 -0.3129 -0.9787 3000750 BCB03_000052 COC(=O)C1=CCC(O1)c2cccc(Cl)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C09 compound treatment 0.492 0.00544 0.17 0.499 0.00797 0.24 0.2879 0.9874 1952821 BCB03_000053 CC(C)(C)[Si](C)(C)COCNC(=O)C1CC2C3C(OC2C(Cl)C1)C4(CCCC4)OC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C10 compound treatment 0.47 -0.0166 -0.52 0.489 -0.00203 -0.06 -0.4108 -0.7836 2065163 BCB03_000054 CCOC(=O)/C=C/c1ccccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C11 mock treatment 0.473 -0.0136 -0.43 0.485 -0.00603 -0.18 -0.4279 -0.9255 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C12 mock treatment 0.484 -0.00256 -0.08 0.48 -0.011 -0.33 -0.2881 -0.8558 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C13 compound treatment 0.472 -0.0146 -0.46 0.5 0.00897 0.27 -0.1359 -0.2566 1952823 BCB03_000055 C#Cc1ccccc1Oc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C14 compound treatment 0.487 4.37E-4 0.01 0.496 0.00497 0.15 0.1138 0.7698 3000752 BCB03_000056 CCOC(=O)/C=C/c1cc(F)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C15 mock treatment 0.477 -0.00956 -0.3 0.485 -0.00603 -0.18 -0.339 -0.9691 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C16 mock treatment 0.483 -0.00356 -0.11 0.481 -0.01 -0.3 -0.2894 -0.911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C17 compound treatment 0.495 0.00844 0.27 0.494 0.00297 0.09 0.2498 0.8937 1952825 BCB03_000057 CCCC(C)(O)C#Cc1cc(cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1OC(=O)C)c2cc(F)cc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C18 compound treatment 0.487 4.37E-4 0.01 0.499 0.00797 0.24 0.1767 0.747 3000753 BCB03_000058 CCOC(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C19 compound treatment 0.531 0.0444 1.4 0.532 0.041 1.21 1.8464 0.9975 1952828 BCB03_000059 CCc1cc(OC)c(O)c(C#CC(O)c2ccccc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C20 compound treatment 0.475 -0.0116 -0.36 0.488 -0.00303 -0.09 -0.3206 -0.8561 3000754 BCB03_000060 CCOC(=O)/C=C/c1cccc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C21 compound treatment 0.478 -0.00856 -0.27 0.485 -0.00603 -0.18 -0.3168 -0.9802 1952829 BCB03_000061 O=C(/C(=C\c1ccccc1)/c2cccc(c2)S(=O)=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C22 compound treatment 0.482 -0.00456 -0.14 0.476 -0.015 -0.45 -0.4164 -0.8898 3000755 BCB03_000062 CCOC(=O)/C=C/c1cccc(C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C23 compound treatment 0.477 -0.00956 -0.3 0.47 -0.021 -0.62 -0.6533 -0.9441 1952832 BCB03_000063 CCc1cc(OC)c(O)c(C#CC(C)(O)C=C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 C24 compound treatment 0.527 0.0404 1.27 0.529 0.038 1.13 1.6946 0.9981 3000762 BCB03_000064 CCOC(=O)/C=C/c1ccccc1OC(=O)C#CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D01 compound treatment 0.485 -0.00156 -0.05 0.452 -0.039 -1.16 -0.8526 -0.7365 3000859 BCB03_000065 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc(Cl)c2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D02 compound treatment 0.538 0.0514 1.62 0.541 0.05 1.48 2.1906 0.999 3189665 BCB03_000066 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)/C(=N\P(=O)(Oc3ccccc3)Oc4ccccc4)/C1)c5ccc(CN6CCCC6)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D03 compound treatment 0.434 -0.0526 -1.65 0.441 -0.05 -1.48 -2.217 -0.9985 3092513 BCB03_000067 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2Cl)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D04 compound treatment 0.495 0.00844 0.27 0.496 0.00497 0.15 0.2917 0.9614 3189666 BCB03_000068 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)/C(=N\P(=O)(Oc5ccccc5)Oc6ccccc6)/C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D05 compound treatment 0.45 -0.0366 -1.15 0.447 -0.044 -1.3 -1.7355 -0.998 3092514 BCB03_000069 CCOC(=O)C1=C[C@H](N([C@H]1c2cccc3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D06 compound treatment 0.509 0.0224 0.71 0.499 0.00797 0.24 0.6658 0.895 3189668 BCB03_000070 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)/C(=N\P(=O)(Oc4ccccc4)Oc5ccccc5)/C1)c6ccc(CN7CCCC7)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D07 compound treatment 0.438 -0.0486 -1.53 0.443 -0.048 -1.42 -2.0861 -0.9994 3000861 BCB03_000071 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(F)(F)F)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D08 compound treatment 0.493 0.00644 0.2 0.5 0.00897 0.27 0.331 0.991 3189669 BCB03_000072 CN1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D09 compound treatment 0.459 -0.0276 -0.87 0.461 -0.03 -0.89 -1.2421 -0.9999 3092596 BCB03_000073 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccc(cc2)C(C)C)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D10 compound treatment 0.475 -0.0116 -0.36 0.487 -0.00403 -0.12 -0.3416 -0.8925 3189670 BCB03_000074 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D11 mock treatment 0.477 -0.00956 -0.3 0.477 -0.014 -0.42 -0.5066 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D12 mock treatment 0.477 -0.00956 -0.3 0.477 -0.014 -0.42 -0.5066 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D13 compound treatment 0.441 -0.0456 -1.43 0.447 -0.044 -1.3 -1.9356 -0.9989 3000869 BCB03_000075 CCOC(=O)C1=C[C@@H](C(C)C)N([C@H]1c2ccccc2F)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D14 compound treatment 0.478 -0.00856 -0.27 0.476 -0.015 -0.45 -0.5053 -0.9709 3070434 BCB03_000076 NC(=O)N1C(=O)C2C(C3C(N(Cc4sc5ccccc5c4Cl)C2C=C3CCCO)c6ccc(CN7CCCC7)cc6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D15 mock treatment 0.467 -0.0196 -0.62 0.47 -0.021 -0.62 -0.8756 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D16 mock treatment 0.486 -5.63E-4 -0.02 0.494 0.00297 0.09 0.0497 0.5538 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D17 compound treatment 0.448 -0.0386 -1.21 0.463 -0.028 -0.83 -1.4447 -0.983 3000870 BCB03_000077 CCOC(=O)C1=C[C@@H](CC)N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D18 compound treatment 0.487 4.37E-4 0.01 0.498 0.00697 0.21 0.1557 0.7525 3189673 BCB03_000078 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5cccs5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D19 compound treatment 0.459 -0.0276 -0.87 0.461 -0.03 -0.89 -1.2421 -0.9999 3092599 BCB03_000079 CCOC(=O)C1=CCN(C1c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D20 compound treatment 0.486 -5.63E-4 -0.02 0.505 0.014 0.41 0.2802 0.6763 3189674 BCB03_000080 OCc1ccc(cc1)C2=CC(N(Cc3cccc(OC(F)(F)F)c3)CC2)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D21 compound treatment 0.446 -0.0406 -1.28 0.445 -0.046 -1.36 -1.8664 -0.9994 3092600 BCB03_000081 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D22 compound treatment 0.475 -0.0116 -0.36 0.468 -0.023 -0.68 -0.7397 -0.9565 3070436 BCB03_000082 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3c7ccc(CO)cc7)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D23 compound treatment 0.445 -0.0416 -1.31 0.441 -0.05 -1.48 -1.9724 -0.998 3092601 BCB03_000083 CCOC(=O)C1=C[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 D24 compound treatment 0.506 0.0194 0.61 0.519 0.028 0.83 1.0182 0.9888 3070437 BCB03_000084 CN1CCC(=CC1C2CC2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E01 mock treatment 0.503 0.0164 0.52 0.515 0.024 0.71 0.8677 0.9878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E02 mock treatment 0.511 0.0244 0.77 0.487 -0.00403 -0.12 0.4589 0.5901 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E03 mock treatment 0.474 -0.0126 -0.4 0.465 -0.026 -0.77 -0.8247 -0.9517 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E04 compound treatment 0.473 -0.0136 -0.43 0.479 -0.012 -0.36 -0.5536 -0.996 3093836 BCB03_000085 CCOC(=O)[C@H]1CC=C2[C@@H]1c3ccccc3OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E05 compound treatment 0.599 0.112 3.54 0.528 0.037 1.1 3.2745 0.8847 1952837 BCB03_000086 COCCNC(=O)c1ccc(c(C#CC(C)(O)CC(C)C)c1O)c2cc(F)cc(F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E06 compound treatment 0.473 -0.0136 -0.43 0.481 -0.01 -0.3 -0.5117 -0.9844 3000764 BCB03_000087 CCOC(=O)[C@H]1CC=C2[C@@H]1c3cc(Br)ccc3OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E07 compound treatment 0.511 0.0244 0.77 0.519 0.028 0.83 1.1294 0.9993 1952838 BCB03_000088 COc1cc(CO[Si](C)(C)C(C)(C)C)cc(C#CC2(O)CCC3C2CC4Cc5cc(O)ccc5C43)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E08 compound treatment 0.528 0.0414 1.3 0.513 0.022 0.65 1.3816 0.9486 3000765 BCB03_000089 CCOC(=O)/C=C/c1cc(Br)ccc1OC(=O)C#CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E09 mock treatment 0.478 -0.00856 -0.27 0.481 -0.01 -0.3 -0.4006 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E10 mock treatment 0.486 -5.63E-4 -0.02 0.48 -0.011 -0.33 -0.2437 -0.7443 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E11 compound treatment 0.479 -0.00756 -0.24 0.487 -0.00403 -0.12 -0.2526 -0.9493 1952839 BCB03_000090 Oc1ccccc1C#CC#Cc2ccccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E12 compound treatment 0.495 0.00844 0.27 0.499 0.00797 0.24 0.3546 0.9983 3000766 BCB03_000091 O=c1oc2ccccc2cc1C#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E13 compound treatment 0.474 -0.0126 -0.4 0.508 0.017 0.5 0.0762 0.1192 1952842 BCB03_000092 COC(=O)Cc1cc(cc(I)c1O)c2cc(F)cc(I)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E14 compound treatment 0.482 -0.00456 -0.14 0.492 9.68E-4 0.03 -0.0812 -0.5547 3000767 BCB03_000093 Cn1c2C3NC(C(=O)c2c4ccccc14)C(C)(C=C3)C(=O)OCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E15 compound treatment 0.489 0.00244 0.08 0.512 0.021 0.62 0.4935 0.7884 2065685 BCB03_000094 CCOCOc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OCOCC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E16 compound treatment 0.489 0.00244 0.08 0.489 -0.00203 -0.06 0.0116 0.1193 3000768 BCB03_000095 [O-][N+](=O)c1ccccc1S(=O)(=O)N2C3CC=C(C2C(=O)c4c3[nH]c5ccccc45)C(=O)OCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E17 mock treatment 0.478 -0.00856 -0.27 0.496 0.00497 0.15 -0.0863 -0.2812 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E18 mock treatment 0.48 -0.00656 -0.21 0.484 -0.00703 -0.21 -0.2932 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E19 compound treatment 0.501 0.0144 0.45 0.518 0.027 0.8 0.8861 0.9641 2065729 BCB03_000096 CCOCOc1cc(OCOCC)c2C(=O)CC(Oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E20 compound treatment 0.474 -0.0126 -0.4 0.492 9.68E-4 0.03 -0.259 -0.654 3093843 BCB03_000097 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E21 compound treatment 0.493 0.00644 0.2 0.484 -0.00703 -0.21 -0.0042 -0.0145 1952773 BCB03_000098 CCCNC(=O)c1cc(cc2c3C(=O)OC4(CCCC4)c3oc12)c5cc(F)cc(F)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E22 compound treatment 0.493 0.00644 0.2 0.466 -0.025 -0.74 -0.3814 -0.496 3000776 BCB03_000099 CCOC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(CC)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E23 compound treatment 0.497 0.0104 0.33 0.496 0.00497 0.15 0.3362 0.9346 1952780 BCB03_000100 COc1cccc(c1)c2c(oc3ccccc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 E24 compound treatment 0.505 0.0184 0.58 0.516 0.025 0.74 0.9331 0.9927 3000848 BCB03_000101 CCOC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(CC)C2=O)Sc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F01 mock treatment 0.507 0.0204 0.64 0.506 0.015 0.44 0.768 0.9836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F02 mock treatment 0.492 0.00544 0.17 0.497 0.00597 0.18 0.2459 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F03 compound treatment 0.494 0.00744 0.23 0.474 -0.017 -0.5 -0.1915 -0.3443 3000874 BCB03_000102 Cc1ccc(cc1)[C@@H]2N(CC=C2C(=O)O)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F04 compound treatment 0.491 0.00444 0.14 0.487 -0.00403 -0.12 0.0142 0.0772 3187712 BCB03_000103 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F05 compound treatment 0.486 -5.63E-4 -0.02 0.48 -0.011 -0.33 -0.2437 -0.7443 3092602 BCB03_000104 C[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F06 compound treatment 0.478 -0.00856 -0.27 0.488 -0.00303 -0.09 -0.2539 -0.8946 3187713 BCB03_000105 CN1C(C2CC2)C3C4C(C1C=C3c5ccc(CO)cc5)C(=O)N(C(=O)N)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F07 compound treatment 0.493 0.00644 0.2 0.482 -0.00903 -0.27 -0.0461 -0.1374 3092680 BCB03_000106 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F08 compound treatment 0.49 0.00344 0.11 0.493 0.00197 0.06 0.1177 0.9581 3187714 BCB03_000107 OCCCC1=CC(C2CC2)N(Cc3cc4OCOc4cc3Br)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F09 mock treatment 0.473 -0.0136 -0.43 0.489 -0.00203 -0.06 -0.3441 -0.799 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F10 mock treatment 0.481 -0.00556 -0.17 0.492 9.68E-4 0.03 -0.1034 -0.5833 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F11 compound treatment 0.48 -0.00656 -0.21 0.486 -0.00503 -0.15 -0.2513 -0.9873 3092681 BCB03_000108 CCC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F12 compound treatment 0.495 0.00844 0.27 0.486 -0.00503 -0.15 0.0822 0.27 3070498 BCB03_000109 CC1C=C(CCCO)CCN1Cc2cccc(OC(F)(F)F)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F13 compound treatment 0.494 0.00744 0.23 0.495 0.00397 0.12 0.2485 0.9494 3000959 BCB03_000110 CC(C)[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F14 compound treatment 0.5 0.0134 0.42 0.501 0.00997 0.3 0.5076 0.9847 3070499 BCB03_000111 CN1CCC(=CC1c2cccs2)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F15 compound treatment 0.484 -0.00256 -0.08 0.493 0.00197 0.06 -0.0157 -0.1582 3092683 BCB03_000112 Cc1ccc(cc1)[C@@H]2N([C@@H](C=C2C(=O)O)C(C)(C)C)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F16 compound treatment 0.494 0.00744 0.23 0.502 0.011 0.33 0.3952 0.987 3187718 BCB03_000113 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F17 mock treatment 0.493 0.00644 0.2 0.493 0.00197 0.06 0.1844 0.8752 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F18 mock treatment 0.501 0.0144 0.45 0.497 0.00597 0.18 0.4461 0.9156 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F19 compound treatment 0.489 0.00244 0.08 0.487 -0.00403 -0.12 -0.0303 -0.2133 3092684 BCB03_000114 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F20 compound treatment 0.524 0.0374 1.18 0.514 0.023 0.68 1.3136 0.9661 3187719 BCB03_000115 OCCCC1=CC(N(Cc2sc3ccccc3c2Cl)CC1)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F21 compound treatment 0.471 -0.0156 -0.49 0.477 -0.014 -0.42 -0.64 -0.9967 3000962 BCB03_000116 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F22 compound treatment 0.473 -0.0136 -0.43 0.472 -0.019 -0.56 -0.7003 -0.9905 3187720 BCB03_000117 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4sc5ccccc5c4Cl)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F23 compound treatment 0.497 0.0104 0.33 0.483 -0.00803 -0.24 0.0638 0.1573 3092686 BCB03_000118 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 F24 compound treatment 0.535 0.0484 1.52 0.539 0.048 1.42 2.082 0.9994 3070502 BCB03_000119 CN1C(C2C3C(C1C=C2c4ccc(CO)cc4)C(=O)N(C(=O)N)C3=O)c5cccs5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G01 compound treatment 0.513 0.0264 0.83 0.513 0.022 0.65 1.0481 0.9927 3107406 BCB03_000120 COC(=O)/C=C/c1cc(OC)c2oc(c(C)c2c1)c3ccccc3.c1ccsc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G02 compound treatment 0.477 -0.00956 -0.3 0.484 -0.00703 -0.21 -0.3599 -0.984 3000850 BCB03_000121 OC(=O)C1=CC[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G03 mock treatment 0.47 -0.0166 -0.52 0.482 -0.00903 -0.27 -0.5575 -0.9521 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G04 mock treatment 0.465 -0.0216 -0.68 0.492 9.68E-4 0.03 -0.4591 -0.6766 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G05 compound treatment 0.496 0.00944 0.3 0.5 0.00897 0.27 0.3977 0.9985 1952785 BCB03_000122 CCc1cc(OC)c2oc(c(C(=O)c3ccccc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G06 compound treatment 0.478 -0.00856 -0.27 0.472 -0.019 -0.56 -0.5891 -0.9428 3092501 BCB03_000123 OC(=O)[C@H]1[C@H](C[C@@H]2[C@H]1C(=O)N(C2=O)c3ccccc3)Sc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G07 compound treatment 0.497 0.0104 0.33 0.537 0.046 1.36 1.1952 0.8531 1952788 BCB03_000124 CCc1cc(OC)c2oc(c(C(=O)c3ccc(OC)cc3)c2c1)c4ccc(Oc5ccccc5)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G08 compound treatment 0.465 -0.0216 -0.68 0.463 -0.028 -0.83 -1.0668 -0.9949 3092502 BCB03_000125 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G09 compound treatment 0.454 -0.0326 -1.02 0.469 -0.022 -0.65 -1.1856 -0.9764 2065776 BCB03_000126 Cc1ccc(SC2(CC(=O)N(Cc3ccccc3)C2c4ccccc4I)C(=O)NCc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G10 compound treatment 0.462 -0.0246 -0.77 0.487 -0.00403 -0.12 -0.6306 -0.8069 3000853 BCB03_000127 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G11 compound treatment 0.48 -0.00656 -0.21 0.493 0.00197 0.06 -0.1047 -0.4881 1034979 BCB03_000128 c1c(cn2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G12 compound treatment 0.476 -0.0106 -0.33 0.476 -0.015 -0.45 -0.5498 -0.9896 3000854 BCB03_000129 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G13 compound treatment 0.493 0.00644 0.2 0.507 0.016 0.47 0.4777 0.9282 2065809 BCB03_000130 COC(=O)Cc1cn[nH]c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G14 compound treatment 0.484 -0.00256 -0.08 0.494 0.00297 0.09 0.0052 0.0437 3000855 BCB03_000131 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G15 compound treatment 0.511 0.0244 0.77 0.5 0.00897 0.27 0.7313 0.8994 2065826 BCB03_000132 CC(C(=O)O)c1ccccc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G16 compound treatment 0.523 0.0364 1.15 0.476 -0.015 -0.45 0.4952 0.4028 3000862 BCB03_000133 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2C)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G17 compound treatment 0.485 -0.00156 -0.05 0.495 0.00397 0.12 0.0484 0.3798 2065840 BCB03_000134 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)c1cccnc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G18 compound treatment 0.44 -0.0466 -1.46 0.44 -0.051 -1.51 -2.1045 -0.9999 3000863 BCB03_000135 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)C[Si](C)(C)C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G19 mock treatment 0.486 -5.63E-4 -0.02 0.622 0.131 3.88 2.7316 0.7039 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G20 mock treatment 0.477 -0.00956 -0.3 0.48 -0.011 -0.33 -0.4438 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G21 compound treatment 0.492 0.00544 0.17 0.491 -3.17E-5 0.0 0.1202 0.7032 2065855 BCB03_000136 CCOC(=O)CC(C(=O)OCC)c1cccnc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G22 compound treatment 0.471 -0.0156 -0.49 0.475 -0.016 -0.48 -0.6819 -0.9999 3092589 BCB03_000137 CCOC(=O)C1=CC[C@H](N([C@H]1/C=C/c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G23 compound treatment 0.558 0.0714 2.25 0.565 0.074 2.19 3.1382 0.9999 2065872 BCB03_000138 CCOC(=O)/C(=C/1\NSc2ccccc12)/C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 G24 compound treatment 0.508 0.0214 0.67 0.508 0.017 0.5 0.8322 0.9896 3092590 BCB03_000139 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H01 compound treatment 0.517 0.0304 0.96 0.519 0.028 0.83 1.2628 0.9974 3092687 BCB03_000140 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H02 compound treatment 0.509 0.0224 0.71 0.505 0.014 0.41 0.7915 0.9677 3187850 BCB03_000141 OCCCC1=CC(C2CC2)N(Cc3cccc(OC(F)(F)F)c3)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H03 mock treatment 0.473 -0.0136 -0.43 0.469 -0.022 -0.65 -0.7632 -0.9787 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H04 mock treatment 0.495 0.00844 0.27 0.501 0.00997 0.3 0.3965 0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H05 compound treatment 0.482 -0.00456 -0.14 0.489 -0.00203 -0.06 -0.144 -0.9256 3092697 BCB03_000142 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H06 compound treatment 0.477 -0.00956 -0.3 0.486 -0.00503 -0.15 -0.318 -0.9476 3187852 BCB03_000143 CN1C(C2C3C(C1C=C2CCCO)C(=O)N(C(=O)N)C3=O)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H07 compound treatment 0.483 -0.00356 -0.11 0.519 0.028 0.83 0.5068 0.606 3092698 BCB03_000144 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccco3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H08 compound treatment 0.48 -0.00656 -0.21 0.497 0.00597 0.18 -0.0209 -0.0768 3187853 BCB03_000145 CC1C2C3C(C(C=C2CCCO)N1Cc4cccc(OC(F)(F)F)c4)C(=O)N(C(=O)N)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H09 compound treatment 0.503 0.0164 0.52 0.493 0.00197 0.06 0.4067 0.7819 3092699 BCB03_000146 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H10 compound treatment 0.494 0.00744 0.23 0.486 -0.00503 -0.15 0.0599 0.2161 3070552 BCB03_000147 OCCCC1=CC(C2CC2)N(Cc3sc4ccccc4c3Cl)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H11 compound treatment 0.479 -0.00756 -0.24 0.484 -0.00703 -0.21 -0.3155 -0.9978 3092700 BCB03_000148 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(Br)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H12 compound treatment 0.492 0.00544 0.17 0.516 0.025 0.74 0.644 0.8482 3070553 BCB03_000149 CN1CCC(=CC1c2cccs2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H13 compound treatment 0.501 0.0144 0.45 0.506 0.015 0.44 0.6346 0.9999 3000975 BCB03_000150 CC[C@@H]1C=C([C@@H](N1S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)C(C)C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H14 compound treatment 0.5 0.0134 0.42 0.52 0.029 0.86 0.9057 0.9467 3187856 BCB03_000151 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H15 compound treatment 0.504 0.0174 0.55 0.497 0.00597 0.18 0.5128 0.89 3000976 BCB03_000152 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](C=C([C@@H]2c3ccccc3)C(=O)O)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H16 compound treatment 0.491 0.00444 0.14 0.501 0.00997 0.3 0.3075 0.9414 3187857 BCB03_000153 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3CCCO)c5ccc(CN6CCCC6)cc5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H17 compound treatment 0.47 -0.0166 -0.52 0.476 -0.015 -0.45 -0.6832 -0.997 3092773 BCB03_000154 CC(C)[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H18 compound treatment 0.466 -0.0206 -0.65 0.483 -0.00803 -0.24 -0.6255 -0.9078 3070555 BCB03_000155 OCc1ccc(cc1)C2=CC(C3CC3)N(Cc4cc5OCOc5cc4Br)CC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H19 mock treatment 0.481 -0.00556 -0.17 0.496 0.00497 0.15 -0.0196 -0.0856 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H20 mock treatment 0.473 -0.0136 -0.43 0.484 -0.00703 -0.21 -0.4489 -0.9457 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H21 compound treatment 0.468 -0.0186 -0.58 0.477 -0.014 -0.42 -0.7067 -0.9862 3092774 BCB03_000156 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H22 compound treatment 0.49 0.00344 0.11 0.492 9.68E-4 0.03 0.0967 0.8649 3070556 BCB03_000157 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5sc6ccccc6c5Cl)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H23 compound treatment 0.506 0.0194 0.61 0.5 0.00897 0.27 0.6201 0.9304 3092783 BCB03_000158 CCC[C@@H]1[C@@H](Sc2ccccc2)[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 H24 compound treatment 0.517 0.0304 0.96 0.516 0.025 0.74 1.1999 0.9919 3070597 BCB03_000159 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3c7ccc(CO)cc7)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I01 compound treatment 0.513 0.0264 0.83 0.522 0.031 0.92 1.2367 0.9988 2065633 BCB03_000160 CCOC(=O)CC(C#N)(C(=O)OCC)c1nsc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I02 compound treatment 0.477 -0.00956 -0.3 0.495 0.00397 0.12 -0.1295 -0.401 3000865 BCB03_000161 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2I)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I03 compound treatment 0.492 0.00544 0.17 0.478 -0.013 -0.39 -0.1522 -0.3603 2065650 BCB03_000162 [O-][N+](=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I04 compound treatment 0.471 -0.0156 -0.49 0.47 -0.021 -0.62 -0.7867 -0.9928 3000866 BCB03_000163 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I05 mock treatment 0.483 -0.00356 -0.11 0.485 -0.00603 -0.18 -0.2056 -0.9747 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I06 mock treatment 0.48 -0.00656 -0.21 0.476 -0.015 -0.45 -0.4609 -0.9388 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I07 compound treatment 0.519 0.0324 1.02 0.508 0.017 0.5 1.0767 0.9469 1065064 BCB03_000164 [O-][N+](=O)c1ccc(CBr)c(I)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I08 compound treatment 0.454 -0.0326 -1.02 0.455 -0.036 -1.07 -1.479 -0.9998 3000867 BCB03_000165 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I09 compound treatment 0.481 -0.00556 -0.17 0.487 -0.00403 -0.12 -0.2082 -0.9827 2065874 BCB03_000166 COC(=O)C(C(=O)OC)c1ccc(cc1I)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I10 compound treatment 0.491 0.00444 0.14 0.488 -0.00303 -0.09 0.0351 0.2117 3092595 BCB03_000167 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(SC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCc5ccccc5)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I11 compound treatment 0.495 0.00844 0.27 0.491 -3.17E-5 0.0 0.1869 0.7046 BCB03_000168 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I12 compound treatment 0.486 -5.63E-4 -0.02 0.487 -0.00403 -0.12 -0.097 -0.803 3000949 BCB03_000169 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c3ccc(C)cc3)c4cccc(Br)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I13 compound treatment 0.535 0.0484 1.52 0.565 0.074 2.19 2.6268 0.9842 3107360 BCB03_000170 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I14 compound treatment 0.467 -0.0196 -0.62 0.45 -0.041 -1.22 -1.2947 -0.9502 3000951 BCB03_000171 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I15 compound treatment 0.496 0.00944 0.3 0.492 9.68E-4 0.03 0.2301 0.7719 1952728 BCB03_000172 Cc1ccc2oc(=O)cc(c3cccs3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I16 compound treatment 0.464 -0.0226 -0.71 0.47 -0.021 -0.62 -0.9423 -0.9979 3000952 BCB03_000173 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I17 compound treatment 0.48 -0.00656 -0.21 0.485 -0.00603 -0.18 -0.2723 -0.9974 1952730 BCB03_000174 O=c1cc(Cc2ccccc2)c3ccccc3o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I18 compound treatment 0.48 -0.00656 -0.21 0.483 -0.00803 -0.24 -0.3142 -0.9975 3092606 BCB03_000175 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I19 compound treatment 0.525 0.0384 1.21 0.544 0.053 1.57 1.9644 0.9917 1952746 BCB03_000176 Cc1ccc(cc1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I20 compound treatment 0.458 -0.0286 -0.9 0.484 -0.00703 -0.21 -0.7824 -0.8486 3092607 BCB03_000177 CCOC(=O)[C@@H]1N([C@@H](CC=C1C(=O)OCC)c2ccccc2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I21 mock treatment 0.466 -0.0206 -0.65 0.484 -0.00703 -0.21 -0.6045 -0.8899 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I22 mock treatment 0.473 -0.0136 -0.43 0.489 -0.00203 -0.06 -0.3441 -0.799 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I23 compound treatment 0.485 -0.00156 -0.05 0.491 -3.17E-5 0.0 -0.0354 -0.7205 3005760 BCB03_000178 CCOP(=O)(O)OCC.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 I24 compound treatment 0.493 0.00644 0.2 0.485 -0.00603 -0.18 0.0167 0.062 3000954 BCB03_000179 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J01 compound treatment 0.553 0.0664 2.09 0.522 0.031 0.92 2.126 0.9318 3092784 BCB03_000180 CCS[C@@H]1[C@@H](CC)N([C@H]([C@@H]1C(=O)O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J02 compound treatment 0.5 0.0134 0.42 0.49 -0.00103 -0.03 0.2772 0.6542 3187985 BCB03_000181 NC(=O)N1C(=O)C2C(C3C(N(Cc4cc5OCOc5cc4Br)C2C=C3CCCO)c6cccs6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J03 compound treatment 0.479 -0.00756 -0.24 0.464 -0.027 -0.8 -0.7345 -0.8791 3092785 BCB03_000182 CCOC1=C2C(N(CC2C3C(C1)C(=O)N(C3=O)c4ccccc4)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J04 compound treatment 0.472 -0.0146 -0.46 0.477 -0.014 -0.42 -0.6178 -0.9988 3187986 BCB03_000183 CN1CCC(=CC1c2ccc(CN3CCCC3)cc2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J05 mock treatment 0.484 -0.00256 -0.08 0.481 -0.01 -0.3 -0.2672 -0.8675 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J06 mock treatment 0.49 0.00344 0.11 0.494 0.00297 0.09 0.1386 0.9948 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J07 compound treatment 0.472 -0.0146 -0.46 0.492 9.68E-4 0.03 -0.3035 -0.6615 3001173 BCB03_000184 CCOC1=C2C(N(CC2n3n(C1)c(=O)n(c4ccccc4)c3=O)S(=O)(=O)c5ccc(C)cc5)c6ccc(C)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J08 compound treatment 0.518 0.0314 0.99 0.527 0.036 1.07 1.4526 0.9993 3070607 BCB03_000185 OCCCC1=CC(N(Cc2cccc(OC(F)(F)F)c2)CC1)c3ccc(CN4CCCC4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J09 compound treatment 0.488 0.00144 0.05 0.49 -0.00103 -0.03 0.0103 0.1895 3001174 BCB03_000186 Cc1ccc(cc1)C2C3C(CN2S(=O)(=O)c4ccc(C)cc4)C5C(CC3=O)C(=O)N(C5=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J10 compound treatment 0.484 -0.00256 -0.08 0.502 0.011 0.33 0.1728 0.5162 3070608 BCB03_000187 OCCCC1=CC(N(Cc2cc3OCOc3cc2Br)CC1)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J11 compound treatment 0.497 0.0104 0.33 0.494 0.00297 0.09 0.2943 0.866 3092789 BCB03_000188 CCN1C(=O)C2CC(=O)C3C(N(CC3C2C1=O)S(=O)(=O)c4ccc(C)cc4)c5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J12 compound treatment 0.492 0.00544 0.17 0.495 0.00397 0.12 0.204 0.9833 3070609 BCB03_000189 CN1CCC(=CC1C2CC2)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J13 compound treatment 0.508 0.0214 0.67 0.506 0.015 0.44 0.7903 0.9794 3092790 BCB03_000190 CC[C@@H]1[C@@H]2[C@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J14 compound treatment 0.487 4.37E-4 0.01 0.515 0.024 0.71 0.5119 0.7207 3187991 BCB03_000191 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cc6OCOc6cc5Br)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J15 compound treatment 0.492 0.00544 0.17 0.527 0.036 1.07 0.8745 0.8102 3092866 BCB03_000192 CC[C@@H]1[C@H]2[C@@H]([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)CC5C2C(=O)N(CC)C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J16 compound treatment 0.496 0.00944 0.3 0.498 0.00697 0.21 0.3558 0.9843 3187992 BCB03_000193 NC(=O)N1C(=O)C2C(C3C(C4CC4)N(Cc5cccc(OC(F)(F)F)c5)C2C=C3CCCO)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J17 compound treatment 0.432 -0.0546 -1.72 0.466 -0.025 -0.74 -1.7376 -0.9297 3092867 BCB03_000194 CCOC(=O)C1=CC[C@H](N([C@H]1CC)S(=O)(=O)c2ccc(C)cc2)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J18 compound treatment 0.509 0.0224 0.71 0.501 0.00997 0.3 0.7077 0.9253 3187993 BCB03_000195 CN1C(C2CC2)C3C4C(C1C=C3CCCO)C(=O)N(C(=O)N)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J19 compound treatment 0.472 -0.0146 -0.46 0.466 -0.025 -0.74 -0.8483 -0.9731 3092868 BCB03_000196 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J20 compound treatment 0.506 0.0194 0.61 0.515 0.024 0.71 0.9344 0.9972 3187994 BCB03_000197 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J21 mock treatment 0.501 0.0144 0.45 0.496 0.00497 0.15 0.4251 0.8907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J22 mock treatment 0.488 0.00144 0.05 0.484 -0.00703 -0.21 -0.1154 -0.5411 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J23 compound treatment 0.47 -0.0166 -0.52 0.477 -0.014 -0.42 -0.6623 -0.9938 3092869 BCB03_000198 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 J24 compound treatment 0.551 0.0644 2.03 0.539 0.048 1.42 2.4378 0.985 3070656 BCB03_000199 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)CCCO)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K01 compound treatment 0.526 0.0394 1.24 0.543 0.052 1.54 1.9657 0.9942 3005761 BCB03_000200 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K02 compound treatment 0.473 -0.0136 -0.43 0.467 -0.024 -0.71 -0.8051 -0.9699 3000955 BCB03_000201 CCOC(=O)C1=CC[C@H](N([C@H]1C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K03 compound treatment 0.475 -0.0116 -0.36 0.494 0.00297 0.09 -0.1949 -0.521 1952748 BCB03_000202 O=Cc1cccc(c1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K04 compound treatment 0.51 0.0234 0.74 0.503 0.012 0.35 0.7719 0.9438 3092688 BCB03_000203 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccncc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K05 compound treatment 0.537 0.0504 1.59 0.543 0.052 1.54 2.2103 0.9999 1107217 BCB03_000204 Cc1cccnc1I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K06 compound treatment 0.443 -0.0436 -1.37 0.453 -0.038 -1.13 -1.7654 -0.9953 3000965 BCB03_000205 CCOC(=O)C1=CC[C@H](N([C@H]1C=C(C)C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K07 mock treatment 0.486 -5.63E-4 -0.02 0.493 0.00197 0.06 0.0287 0.4715 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K08 mock treatment 0.492 0.00544 0.17 0.487 -0.00403 -0.12 0.0364 0.1746 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K09 compound treatment 0.498 0.0114 0.36 0.508 0.017 0.5 0.6098 0.9865 3005761 BCB03_000206 Cc1ccc(cc1)S(=O)(=O)O.Cc1cc(=O)oc2ccc(Cl)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K10 compound treatment 0.529 0.0424 1.33 0.52 0.029 0.86 1.5505 0.9772 3000966 BCB03_000207 CCOC(=O)C1=CC[C@H](N([C@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K11 compound treatment 0.568 0.0814 2.56 0.553 0.062 1.84 3.1091 0.9867 1952755 BCB03_000208 C=C(c1ccccc1)c2cc(=O)oc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K12 compound treatment 0.48 -0.00656 -0.21 0.484 -0.00703 -0.21 -0.2932 -1.0 3092692 BCB03_000209 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(OC)c2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K13 compound treatment 0.505 0.0184 0.58 0.504 0.013 0.38 0.6817 0.9801 1952760 BCB03_000210 CC(C)(C)[Si](C)(C)OCCNC(=O)c1cc(c2cc(F)cc(F)c2)c3oc4c(C(=O)OC4(c5ccccc5)c6ccccc6)c3c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K14 compound treatment 0.485 -0.00156 -0.05 0.494 0.00297 0.09 0.0275 0.2725 3092693 BCB03_000211 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(C#N)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K15 mock treatment 0.486 -5.63E-4 -0.02 0.513 0.022 0.65 0.4478 0.6876 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K16 mock treatment 0.474 -0.0126 -0.4 0.494 0.00297 0.09 -0.2171 -0.5365 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K17 compound treatment 0.482 -0.00456 -0.14 0.486 -0.00503 -0.15 -0.2069 -0.9998 1952770 BCB03_000212 O=C/1Oc2ccccc2C\C1=C(/c3ccccc3)\c4ccc5ccccc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K18 compound treatment 0.464 -0.0226 -0.71 0.464 -0.027 -0.8 -1.068 -0.9982 3000969 BCB03_000213 CCOC(=O)C1=CC[C@H](N([C@H]1C=C)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K19 compound treatment 0.493 0.00644 0.2 0.491 -3.17E-5 0.0 0.1425 0.7038 3000871 BCB03_000214 O=c1cccc(o1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K20 compound treatment 0.513 0.0264 0.83 0.503 0.012 0.35 0.8386 0.9279 3001047 BCB03_000215 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(c(OC)c4)c5ccc(OCc6ccccc6)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K21 compound treatment 0.51 0.0234 0.74 0.492 9.68E-4 0.03 0.5414 0.7341 3000872 BCB03_000216 COc1cccc(c1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K22 compound treatment 0.49 0.00344 0.11 0.476 -0.015 -0.45 -0.2385 -0.5204 3001048 BCB03_000217 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccc(cc4)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K23 mock treatment 0.489 0.00244 0.08 0.481 -0.01 -0.3 -0.156 -0.5082 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 K24 mock treatment 0.517 0.0304 0.96 0.504 0.013 0.38 0.9485 0.9197 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L01 compound treatment 0.489 0.00244 0.08 0.517 0.026 0.77 0.5983 0.7737 3092870 BCB03_000218 CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L02 compound treatment 0.501 0.0144 0.45 0.497 0.00597 0.18 0.4461 0.9156 3188115 BCB03_000219 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L03 compound treatment 0.463 -0.0236 -0.74 0.471 -0.02 -0.59 -0.9436 -0.994 3092871 BCB03_000220 CCOC(=O)C1=CC[C@H](N([C@H]1c2cccc(Br)c2)S(=O)(=O)c3ccc(C)cc3)c4ccc(OCC=C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L04 compound treatment 0.499 0.0124 0.39 0.498 0.00697 0.21 0.4225 0.9554 3188116 BCB03_000221 CC1C=C(CCCO)C=C(C(=O)OCCS(=O)(=O)C)C(=CN1Cc2cccc(OC(F)(F)F)c2)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L05 compound treatment 0.484 -0.00256 -0.08 0.487 -0.00403 -0.12 -0.1415 -0.9816 3092774 BCB03_000222 CC[C@@H]1C(Sc2ccccc2)C([C@@H](N1S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L06 compound treatment 0.483 -0.00356 -0.11 0.484 -0.00703 -0.21 -0.2265 -0.9576 3188117 BCB03_000223 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L07 mock treatment 0.482 -0.00456 -0.14 0.487 -0.00403 -0.12 -0.1859 -0.9959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L08 mock treatment 0.487 4.37E-4 0.01 0.491 -3.17E-5 0.0 0.0091 0.6572 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L09 compound treatment 0.488 0.00144 0.05 0.488 -0.00303 -0.09 -0.0316 -0.3138 3187870 BCB03_000224 COC(=O)C[C@H]1O[C@@H](CCc2ccccc2)[C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L10 compound treatment 0.494 0.00744 0.23 0.531 0.04 1.18 1.0028 0.8307 3188119 BCB03_000225 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L11 compound treatment 0.561 0.0744 2.34 0.51 0.019 0.56 2.0525 0.8527 3071511 BCB03_000226 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(I)cc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L12 compound treatment 0.503 0.0164 0.52 0.516 0.025 0.74 0.8886 0.9846 3188120 BCB03_000227 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L13 compound treatment 0.517 0.0304 0.96 0.514 0.023 0.68 1.158 0.986 3187872 BCB03_000228 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(Cc4ccccc4)c5ccc(NC(=O)C)cc52 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L14 compound treatment 0.535 0.0484 1.52 0.538 0.047 1.39 2.0611 0.999 3188122 BCB03_000229 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CO)cc3)c4cccs4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L15 mock treatment 0.493 0.00644 0.2 0.493 0.00197 0.06 0.1844 0.8752 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L16 mock treatment 0.49 0.00344 0.11 0.501 0.00997 0.3 0.2853 0.907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L17 compound treatment 0.491 0.00444 0.14 0.494 0.00297 0.09 0.1609 0.9752 3414061 BCB03_000230 COC(=O)C[C@@H]1C[C@H](C)[C@]2(O1)C(=O)N(Cc3ccccc3)c4ccc(NC(=O)C)cc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L18 compound treatment 0.494 0.00744 0.23 0.513 0.022 0.65 0.6257 0.9045 3188123 BCB03_000231 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2cccs2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L19 compound treatment 0.486 -5.63E-4 -0.02 0.501 0.00997 0.3 0.1964 0.6636 3071513 BCB03_000232 CC(C)[Si](OCC[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)O)C(=O)N(Cc3ccccc3)c4ccccc42)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L20 compound treatment 0.508 0.0214 0.67 0.484 -0.00703 -0.21 0.3293 0.4667 3188124 BCB03_000233 CS(=O)(=O)CCOC(=O)C1=CN(Cc2sc3ccccc3c2Cl)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L21 compound treatment 0.494 0.00744 0.23 0.495 0.00397 0.12 0.2485 0.9494 3071514 BCB03_000234 COc1ccc(cc1)[Si](C)(C)[C@H]2[C@H](C)[C@]3(O[C@@H]2CCO)C(=O)N(Cc4ccccc4)c5ccccc53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L22 compound treatment 0.496 0.00944 0.3 0.488 -0.00303 -0.09 0.1463 0.4719 3188125 BCB03_000235 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CN5CCCC5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L23 mock treatment 0.463 -0.0236 -0.74 0.511 0.02 0.59 -0.1055 -0.1113 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 L24 mock treatment 0.518 0.0314 0.99 0.521 0.03 0.89 1.3269 0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M01 compound treatment 0.537 0.0504 1.59 0.547 0.056 1.66 2.2941 0.9998 1984103 BCB03_000236 Cc1ccc(cc1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M02 compound treatment 0.488 0.00144 0.05 0.495 0.00397 0.12 0.1151 0.9137 3001049 BCB03_000237 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M03 compound treatment 0.49 0.00344 0.11 0.5 0.00897 0.27 0.2643 0.9214 3000873 BCB03_000238 Clc1cccc(c1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M04 compound treatment 0.457 -0.0296 -0.93 0.457 -0.034 -1.01 -1.3703 -0.9992 3092778 BCB03_000239 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(CC)cc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M05 compound treatment 0.485 -0.00156 -0.05 0.489 -0.00203 -0.06 -0.0773 -0.9949 3000875 BCB03_000240 Clc1ccccc1c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M06 compound treatment 0.449 -0.0376 -1.18 0.47 -0.021 -0.62 -1.2758 -0.9554 3001168 BCB03_000241 CCOC(=O)C1=C(N([C@@H](CC1)c2ccccc2)S(=O)(=O)CC[Si](C)(C)C)C(=O)OCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M07 compound treatment 0.487 4.37E-4 0.01 0.5 0.00897 0.27 0.1976 0.7427 3000956 BCB03_000242 CCCc1cccc(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M08 compound treatment 0.477 -0.00956 -0.3 0.481 -0.01 -0.3 -0.4228 -1.0 3092780 BCB03_000243 CCOC(=O)C1=CC[C@H](N([C@H]1c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3)c4cc(Cl)ccc4Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M09 mock treatment 0.504 0.0174 0.55 0.5 0.00897 0.27 0.5756 0.9447 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M10 mock treatment 0.487 4.37E-4 0.01 0.486 -0.00503 -0.15 -0.0957 -0.6392 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M11 compound treatment 0.503 0.0164 0.52 0.491 -3.17E-5 0.0 0.3648 0.7058 3000957 BCB03_000244 Fc1ccc(cc1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M12 compound treatment 0.48 -0.00656 -0.21 0.492 9.68E-4 0.03 -0.1256 -0.603 3092781 BCB03_000245 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M13 mock treatment 0.488 0.00144 0.05 0.496 0.00497 0.15 0.1361 0.8835 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M14 mock treatment 0.489 0.00244 0.08 0.51 0.019 0.56 0.4516 0.7962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M15 compound treatment 0.538 0.0514 1.62 0.558 0.067 1.98 2.5468 0.9948 3000958 BCB03_000246 O=c1cccc(o1)c2ccc(C#N)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M16 compound treatment 0.506 0.0194 0.61 0.519 0.028 0.83 1.0182 0.9888 3001177 BCB03_000247 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccco3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M17 compound treatment 0.502 0.0154 0.49 0.508 0.017 0.5 0.6988 0.9998 3092682 BCB03_000248 FC(F)(F)c1ccc(cc1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M18 compound treatment 0.549 0.0624 1.96 0.552 0.061 1.81 2.6657 0.9991 3001178 BCB03_000249 CCOC(=O)C1=CC[C@H](N([C@@H]1C#N)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M19 compound treatment 0.505 0.0184 0.58 0.505 0.014 0.41 0.7026 0.9864 3000960 BCB03_000250 FC(F)(F)c1ccccc1c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M20 compound treatment 0.478 -0.00856 -0.27 0.502 0.011 0.33 0.0394 0.0934 3001179 BCB03_000251 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)CC[Si](C)(C)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M21 compound treatment 0.526 0.0394 1.24 0.535 0.044 1.3 1.7981 0.9997 3000961 BCB03_000252 O=c1cccc(o1)c2ccc3ccccc3c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M22 compound treatment 0.556 0.0694 2.18 0.565 0.074 2.19 3.0937 1.0 3001245 BCB03_000253 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3cccn3C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M23 compound treatment 0.506 0.0194 0.61 0.511 0.02 0.59 0.8506 0.9999 3092685 BCB03_000254 O=c1cccc(o1)c2ccco2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 M24 compound treatment 0.523 0.0364 1.15 0.534 0.043 1.27 1.7104 0.9986 3001246 BCB03_000255 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccc(C#N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N01 compound treatment 0.552 0.0654 2.06 0.561 0.07 2.07 2.921 1.0 3071515 BCB03_000256 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(C)cc3)C(=O)N(C)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N02 compound treatment 0.488 0.00144 0.05 0.497 0.00597 0.18 0.157 0.8602 3188247 BCB03_000257 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)CCCO)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N03 compound treatment 0.479 -0.00756 -0.24 0.479 -0.012 -0.36 -0.4202 -0.9806 3071516 BCB03_000258 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccc(OC)cc3)C(=O)N(C)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N04 compound treatment 0.491 0.00444 0.14 0.489 -0.00203 -0.06 0.0561 0.3691 3188248 BCB03_000259 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N05 compound treatment 0.498 0.0114 0.36 0.504 0.013 0.38 0.526 0.9995 3414062 BCB03_000260 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)c3ccccc3)C(=O)N(C)c4ccccc42 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N06 compound treatment 0.512 0.0254 0.8 0.52 0.029 0.86 1.1725 0.9994 3188250 BCB03_000261 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cc3OCOc3cc2Br)C(C=C(C=C1C(=O)OCCS(=O)(=O)C)c4ccc(CO)cc4)C5CC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N07 compound treatment 0.506 0.0194 0.61 0.542 0.051 1.51 1.5001 0.9207 3188927 BCB03_000262 COC(=O)C[C@H]1O[C@@]2([C@@H](C)[C@@H]1[Si](C)(C)F)C(=O)N(C)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N08 compound treatment 0.509 0.0224 0.71 0.529 0.038 1.13 1.2944 0.9747 3188251 BCB03_000263 CS(=O)(=O)CCOC(=O)C1=CN(Cc2cccc(OC(F)(F)F)c2)C(C=C(CCCO)C=C1C(=O)OCCS(=O)(=O)C)c3ccc(CN4CCCC4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N09 mock treatment 0.482 -0.00456 -0.14 0.483 -0.00803 -0.24 -0.2697 -0.9706 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N10 mock treatment 0.49 0.00344 0.11 0.487 -0.00403 -0.12 -0.008 -0.0499 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N11 compound treatment 0.517 0.0304 0.96 0.488 -0.00303 -0.09 0.6132 0.6379 3071435 BCB03_000264 COC(=O)C[C@H]1O[C@@]2(C[C@@H]1[Si](C)(C)C)C(=O)N(C)c3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N12 compound treatment 0.507 0.0204 0.64 0.527 0.036 1.07 1.208 0.9707 3188252 BCB03_000265 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1C2CC2)c3ccc(CO)cc3)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N13 mock treatment 0.5 0.0134 0.42 0.498 0.00697 0.21 0.4448 0.9458 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N14 mock treatment 0.49 0.00344 0.11 0.496 0.00497 0.15 0.1805 0.9885 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N15 compound treatment 0.503 0.0164 0.52 0.499 0.00797 0.24 0.5324 0.937 3188929 BCB03_000266 COC(=O)C/C=C/C[C@]1(O)C(=O)N(C)c2ccccc21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N16 compound treatment 0.569 0.0824 2.59 0.564 0.073 2.16 3.3618 0.9959 3188253 BCB03_000267 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N17 compound treatment 0.467 -0.0196 -0.62 0.448 -0.043 -1.28 -1.3366 -0.9441 3188930 BCB03_000268 COc1ccc(cc1)[Si](C)(C)[C@H](CCn2cc(CCO[Si](C(C)C)(C(C)C)C(C)C)nn2)/C=C/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N18 compound treatment 0.511 0.0244 0.77 0.505 0.014 0.41 0.836 0.9579 3188254 BCB03_000269 CN1C=C(C(=O)OCCS(=O)(=O)C)C(=CC(=CC1c2ccc(CN3CCCC3)cc2)CCCO)C(=O)OCCS(=O)(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N19 compound treatment 0.494 0.00744 0.23 0.489 -0.00203 -0.06 0.1228 0.5085 3071465 BCB03_000270 CCCCNC(=O)c1ccc(C#CC(C)(C)C)c(OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N20 compound treatment 0.559 0.0724 2.28 0.567 0.076 2.25 3.2023 1.0 3188255 BCB03_000271 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N21 compound treatment 0.485 -0.00156 -0.05 0.47 -0.021 -0.62 -0.4754 -0.7605 1952196 BCB03_000272 CCCCNC(=O)c1ccc(C#C[Si](C)(C)C)c(OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N22 compound treatment 0.627 0.14 4.42 0.653 0.162 4.8 6.5161 0.9991 3188256 BCB03_000273 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2sc3ccccc3c2Cl)c4ccc(CN5CCCC5)cc4)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N23 compound treatment 0.471 -0.0156 -0.49 0.49 -0.00103 -0.03 -0.3676 -0.7498 3071510 BCB03_000274 CCCCNC(=O)c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 N24 compound treatment 0.617 0.13 4.1 0.613 0.122 3.61 5.4557 0.998 3188257 BCB03_000275 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2cccs2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O01 compound treatment 0.576 0.0894 2.81 0.589 0.098 2.9 4.0412 0.9999 3000963 BCB03_000276 O=c1cccc(CCc2ccccc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O02 compound treatment 0.519 0.0324 1.02 0.534 0.043 1.27 1.6215 0.994 3001247 BCB03_000277 CCOC(=O)C1=CCC(NC1)c2cc3ccccc3[nH]2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O03 compound treatment 0.504 0.0174 0.55 0.531 0.04 1.18 1.2251 0.9387 3000971 BCB03_000278 [O-][N+](=O)c1ccc(cc1)c2cccc(=O)o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O04 compound treatment 0.51 0.0234 0.74 0.531 0.04 1.18 1.3585 0.9739 3001248 BCB03_000279 CCOC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccccc2[N+](=O)[O-])c3cc4ccccc4[nH]3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O05 compound treatment 0.52 0.0334 1.05 0.535 0.044 1.3 1.6647 0.9943 3000972 BCB03_000280 O=c1cccc(/C=C/c2ccccc2)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O06 compound treatment 0.533 0.0464 1.46 0.532 0.041 1.21 1.8909 0.9958 3000756 BCB03_000281 CCOC(=O)C1=CCC(N(CCN2CC(=CCC2c3cc4ccccc4[nH]3)C(=O)OCC)C1)c5cc6ccccc6[nH]5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O07 compound treatment 0.522 0.0354 1.11 0.517 0.026 0.77 1.332 0.9837 3000973 BCB03_000282 O=c1cccc(o1)c2cccc3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O08 compound treatment 0.521 0.0344 1.08 0.521 0.03 0.89 1.3936 0.9951 3000757 BCB03_000283 CC(=O)C1=CCC(N(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O09 compound treatment 0.541 0.0544 1.71 0.538 0.047 1.39 2.1945 0.9947 3000974 BCB03_000284 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(Cl)c2)c3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O10 compound treatment 0.539 0.0524 1.65 0.523 0.032 0.95 1.8357 0.9654 3093828 BCB03_000285 Cc1ccc(cc1)[C@@H]2C[C@@H](Sc3ccccc3)[C@@H](CN2S(=O)(=O)c4ccc(C)cc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O11 mock treatment 0.526 0.0394 1.24 0.497 0.00597 0.18 1.0019 0.7999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O12 mock treatment 0.508 0.0214 0.67 0.51 0.019 0.56 0.8741 0.9959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O13 compound treatment 0.498 0.0114 0.36 0.498 0.00697 0.21 0.4003 0.9653 3092701 BCB03_000286 CCOC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O14 compound treatment 0.516 0.0294 0.93 0.503 0.012 0.35 0.9053 0.9133 3093829 BCB03_000287 Cc1ccc(cc1)C2CC=C(CN2S(=O)(=O)c3ccc(C)cc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O15 compound treatment 0.527 0.0404 1.27 0.528 0.037 1.1 1.6737 0.9972 3092771 BCB03_000288 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccccn2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O16 compound treatment 0.524 0.0374 1.18 0.524 0.033 0.98 1.5232 0.9957 3093830 BCB03_000289 Cc1ccc(cc1)S(=O)(=O)N2CC(=CCC2c3ccccc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O17 compound treatment 0.547 0.0604 1.9 0.549 0.058 1.72 2.5584 0.9987 3092772 BCB03_000290 COC(=O)c1cccc(c1)[C@@H]2C/C(=C\C(=O)OC(C)C)/O[C@@H](O2)c3cccc(c3)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O18 compound treatment 0.517 0.0304 0.96 0.517 0.026 0.77 1.2208 0.9941 3000760 BCB03_000291 Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O19 compound treatment 0.54 0.0534 1.68 0.544 0.053 1.57 2.298 0.9994 3000977 BCB03_000292 CC(C)OC(=O)/C=C\1/C[C@H](O[C@H](O1)c2ccc(C#N)cc2)c3ccc(C#N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O20 compound treatment 0.519 0.0324 1.02 0.536 0.045 1.33 1.6634 0.9913 3093833 BCB03_000293 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O21 compound treatment 0.525 0.0384 1.21 0.525 0.034 1.01 1.5663 0.9959 3092782 BCB03_000294 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O22 compound treatment 0.517 0.0304 0.96 0.529 0.038 1.13 1.4723 0.9968 3093834 BCB03_000295 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(C#N)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O23 compound treatment 0.535 0.0484 1.52 0.514 0.023 0.68 1.5582 0.9341 3092786 BCB03_000296 CC(C)OC(=O)/C=C/1\C[C@H](O[C@H](O1)c2cccc(c2)C(F)(F)F)c3cccc(c3)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 O24 compound treatment 0.536 0.0494 1.55 0.545 0.054 1.6 2.23 0.9999 3093844 BCB03_000297 Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2c3ccccc3)C(=O)O)c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P01 compound treatment 0.577 0.0904 2.84 0.567 0.076 2.25 3.6025 0.9933 3071725 BCB03_000298 COC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P02 compound treatment 0.653 0.166 5.23 0.666 0.175 5.18 7.3666 1.0 3188381 BCB03_000299 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)c3ccc(CO)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P03 compound treatment 0.592 0.105 3.32 0.597 0.106 3.14 4.5646 0.9996 3188399 BCB03_000300 COC(=O)[C@H](Cc1ccc(O)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P04 compound treatment 0.599 0.112 3.54 0.746 0.255 7.56 7.8422 0.9402 3070118 BCB03_000301 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P05 compound treatment 0.509 0.0224 0.71 0.526 0.035 1.04 1.2316 0.9825 3188400 BCB03_000302 COC(=O)[C@H](Cc1ccc(OCC#C)cc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P06 compound treatment 0.604 0.117 3.69 0.634 0.143 4.24 5.6067 0.9977 3070119 BCB03_000303 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cccc(OC(F)(F)F)c3)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P07 compound treatment 0.576 0.0894 2.81 0.587 0.096 2.84 3.9993 1.0 3188401 BCB03_000304 Oc1ccc(C[C@@H]2N(CC#C)[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P08 compound treatment 0.613 0.126 3.98 0.693 0.202 5.98 7.043 0.9803 3188385 BCB03_000305 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cccc(OC(F)(F)F)c2)c3ccc(CN4CCCC4)cc3)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P09 compound treatment 0.526 0.0394 1.24 0.507 0.016 0.47 1.2114 0.9127 3188402 BCB03_000306 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccc(OCC#C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P10 compound treatment 0.539 0.0524 1.65 0.552 0.061 1.81 2.4433 0.999 3188386 BCB03_000307 NC(=O)N1C(=O)C2C(C3C(N(Cc4cccc(OC(F)(F)F)c4)C2C=C3c5ccc(CO)cc5)c6cccs6)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P11 mock treatment 0.516 0.0294 0.93 0.529 0.038 1.13 1.45 0.9953 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P12 mock treatment 0.544 0.0574 1.81 0.547 0.056 1.66 2.4497 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P13 compound treatment 0.538 0.0514 1.62 0.535 0.044 1.3 2.0649 0.9942 3070937 BCB03_000308 COC(=O)[C@H](Cc1ccc(O)cc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P14 compound treatment 0.59 0.103 3.25 0.619 0.128 3.79 4.9811 0.9971 3188387 BCB03_000309 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1C)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P15 compound treatment 0.56 0.0734 2.31 0.566 0.075 2.22 3.2036 0.9998 3188528 BCB03_000310 Oc1ccc(C[C@@H]2N3CC4=CCCC=C[C@@H]4[C@H]3[C@@H](Cc5ccccc5)OC2=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P16 compound treatment 0.607 0.12 3.79 0.633 0.142 4.21 5.6524 0.9986 3070122 BCB03_000311 COP(=O)(OC)/N=C\1/CC(=CC(N1C)c2ccc(CN3CCCC3)cc2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P17 compound treatment 0.527 0.0404 1.27 0.522 0.031 0.92 1.548 0.9872 3188529 BCB03_000312 COC(=O)[C@H](Cc1ccccc1)N[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P18 compound treatment 0.576 0.0894 2.81 0.594 0.103 3.05 4.146 0.9992 3188390 BCB03_000313 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3cc4OCOc4cc3Br)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P19 compound treatment 0.532 0.0454 1.43 0.515 0.024 0.71 1.5125 0.9479 3188530 BCB03_000314 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@@H](/C=C/C2CC2)[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P20 compound treatment 0.645 0.158 4.98 0.717 0.226 6.7 8.2573 0.9894 3188503 BCB03_000315 COP(=O)(OC)/N=C\1/CC(=CC(C)N1Cc2cccc(OC(F)(F)F)c2)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P21 compound treatment 0.587 0.1 3.16 0.588 0.097 2.87 4.2649 0.9989 3070940 BCB03_000316 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@H]2[C@H](O)Cc3ccccc3)/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P22 compound treatment 0.767 0.28 8.82 0.806 0.315 9.33 12.8347 0.9996 3070124 BCB03_000317 COP(=O)(OC)/N=C\1/CC(=CC(N1Cc2cc3OCOc3cc2Br)c4ccc(CN5CCCC5)cc4)CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P23 compound treatment 0.526 0.0394 1.24 0.533 0.042 1.24 1.7562 1.0 3188533 BCB03_000318 O=C1O[C@@H](Cc2ccccc2)[C@@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2281 P24 compound treatment 0.678 0.191 6.02 0.68 0.189 5.6 8.2158 0.9993 3188506 BCB03_000319 COP(=O)(OC)/N=C\1/CC(=CC(C2CC2)N1Cc3sc4ccccc4c3Cl)c5ccc(CO)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A01 compound treatment 0.529 0.0326 1.02 0.517 0.0221 0.66 1.1883 0.9767 3188507 BCB03_000320 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(o3)c4ccc(Cl)c(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A02 compound treatment 0.516 0.0196 0.62 0.522 0.0271 0.8 1.004 0.9914 3071186 BCB03_000321 COc1ccc(cc1)[C@H]2OC[C@@H]3CCC(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A03 compound treatment 0.523 0.0266 0.84 0.543 0.0481 1.43 1.5996 0.9677 3070126 BCB03_000322 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A04 compound treatment 0.501 0.00459 0.14 0.507 0.0121 0.36 0.3562 0.9198 3071252 BCB03_000323 COc1cccc(C[C@H]2C[C@@H](CO)NC2=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A05 compound treatment 0.5 0.00359 0.11 0.524 0.0291 0.86 0.6902 0.7929 3070127 BCB03_000324 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A06 compound treatment 0.539 0.0426 1.34 0.54 0.0451 1.34 1.8925 1.0 3071181 BCB03_000325 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@]4(O[C@@]23[C@H]5[C@@H]4C(=O)N(C)C5=O)C(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A07 compound treatment 0.546 0.0496 1.56 0.57 0.0751 2.23 2.6767 0.9848 3070128 BCB03_000326 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3CO[Si](C(C)C)(C(C)C)c31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A08 compound treatment 0.541 0.0446 1.4 0.542 0.0471 1.4 1.9789 1.0 3189172 BCB03_000327 COc1cccc(C[C@H]2C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N3C(=O)[C@@]4(O[C@]23[C@@H]5[C@H]4C(=O)N(C)C5=O)C(=O)C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A09 compound treatment 0.506 0.00959 0.3 0.521 0.0261 0.77 0.7607 0.9156 3070129 BCB03_000328 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A10 compound treatment 0.507 0.0106 0.33 0.532 0.0371 1.1 1.0134 0.8817 3071185 BCB03_000329 COc1ccc(cc1)[C@H]2OC[C@@H]3CC4(CC=CC4)C(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A11 compound treatment 0.516 0.0196 0.62 0.57 0.0751 2.23 2.0097 0.8701 3188514 BCB03_000330 CCCCCCc1nc(c2ccc(o2)c3ccc(Cl)c(Cl)c3)c(C)c4CO[Si](C(C)C)(C(C)C)c41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A12 compound treatment 0.492 -0.00441 -0.14 0.496 0.00112 0.03 -0.0744 -0.5221 3189173 BCB03_000331 NC(=N)NCc1cn(CCc2c[nH]c3ccccc23)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A13 mock treatment 0.518 0.0216 0.68 0.539 0.0441 1.31 1.4047 0.9534 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A14 mock treatment 0.513 0.0166 0.52 0.534 0.0391 1.16 1.1887 0.935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A15 compound treatment 0.523 0.0266 0.84 0.522 0.0271 0.8 1.1596 0.9998 3070178 BCB03_000332 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3cc(C)c(OC)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A16 compound treatment 0.508 0.0116 0.36 0.512 0.0171 0.51 0.6166 0.9868 3071253 BCB03_000333 COC(=O)c1c(CC[C@@H](CO)NC(=O)N(C)Cc2ccccc2)oc(C(=O)OCC=C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A17 compound treatment 0.515 0.0186 0.58 0.538 0.0431 1.28 1.317 0.9372 3070179 BCB03_000334 CCCCCCc1nc(c(C)c2CO[Si](C(C)C)(C(C)C)c21)c3ccc(OC)nc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A18 compound treatment 0.508 0.0116 0.36 0.505 0.0101 0.3 0.4699 0.9953 3071184 BCB03_000335 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@@H](Cc4ccccc4)C(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A19 compound treatment 0.506 0.00959 0.3 0.533 0.0381 1.13 1.0121 0.8656 3070180 BCB03_000336 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A20 compound treatment 0.51 0.0136 0.43 0.502 0.00712 0.21 0.4515 0.9471 3071183 BCB03_000337 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@H](Cc4ccccc4)C(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A21 compound treatment 0.477 -0.0194 -0.61 0.511 0.0161 0.48 -0.0936 -0.1208 3070181 BCB03_000338 CCCCCCc1nc(C2CC2)c(C)c3CO[Si](C(C)C)(C(C)C)c31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A22 compound treatment 0.504 0.00759 0.24 0.502 0.00712 0.21 0.3181 0.9981 3189417 BCB03_000339 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(COC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A23 compound treatment 0.466 -0.0304 -0.96 0.533 0.0381 1.13 0.1228 0.083 3188651 BCB03_000340 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 A24 compound treatment 0.53 0.0336 1.06 0.503 0.00812 0.24 0.9172 0.8466 3070196 BCB03_000341 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B01 compound treatment 0.517 0.0206 0.65 0.506 0.0111 0.33 0.691 0.9509 3188662 BCB03_000342 COC(=O)[C@H](Cc1ccccc1)N2CC(=C[C@@H]2[C@@H](O)Cc3ccccc3)/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B02 compound treatment 0.494 -0.00241 -0.08 0.501 0.00612 0.18 0.0748 0.3806 3071724 BCB03_000343 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@]4(CO4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B03 compound treatment 0.478 -0.0184 -0.58 0.482 -0.0129 -0.38 -0.679 -0.9795 3188663 BCB03_000344 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B04 compound treatment 0.479 -0.0174 -0.55 0.485 -0.00988 -0.29 -0.5939 -0.957 3071727 BCB03_000345 C[C@]12COC[C@@]2(C=C(Br)[C@@H]3C1)C(=O)[C@@]43CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B05 compound treatment 0.449 -0.0474 -1.49 0.461 -0.0339 -1.0 -1.7638 -0.9815 3070955 BCB03_000346 COC(=O)[C@H](Cc1ccccc1)N2CC(C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B06 compound treatment 0.456 -0.0404 -1.27 0.47 -0.0249 -0.74 -1.4196 -0.9665 3071766 BCB03_000347 CCCCC[C@H]1OC[C@@]2(C=C(Br)[C@@H]3CC12)C(=O)[C@@]43CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B07 compound treatment 0.464 -0.0324 -1.02 0.449 -0.0459 -1.36 -1.6817 -0.9899 3188666 BCB03_000348 COC(=O)[C@H](Cc1ccccc1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B08 compound treatment 0.495 -0.00141 -0.04 0.478 -0.0169 -0.5 -0.3848 -0.7666 3071767 BCB03_000349 CC1(C)OC[C@@]2(C=C(Br)[C@@H]3C[C@H]12)C(=O)[C@@]43CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B09 compound treatment 0.471 -0.0254 -0.8 0.471 -0.0239 -0.71 -1.0651 -0.9982 3188667 BCB03_000350 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4ccccc4Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B10 compound treatment 0.455 -0.0414 -1.3 0.464 -0.0309 -0.91 -1.5675 -0.9851 3071770 BCB03_000351 BrC1=C[C@]23COCC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B11 compound treatment 0.47 -0.0264 -0.83 0.473 -0.0219 -0.65 -1.0455 -0.9925 3188668 BCB03_000352 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c2ccccc2)[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B12 compound treatment 0.506 0.00959 0.3 0.508 0.0131 0.39 0.4883 0.9921 3071774 BCB03_000353 C=CCC1=C[C@H]2[C@H]([C@H]3C=C[C@]2(CC=C)C(=O)[C@@]43CO4)[C@@]5(CO5)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B13 mock treatment 0.46 -0.0364 -1.14 0.471 -0.0239 -0.71 -1.3097 -0.9732 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B14 mock treatment 0.466 -0.0304 -0.96 0.473 -0.0219 -0.65 -1.1344 -0.9821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B15 compound treatment 0.48 -0.0164 -0.52 0.484 -0.0109 -0.32 -0.5926 -0.9743 3070996 BCB03_000354 O[C@@H](Cc1ccccc1)[C@@H](/C=C/c2ccccc2)N(CC#C)Cc3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B16 compound treatment 0.489 -0.00741 -0.23 0.499 0.00412 0.12 -0.0782 -0.2975 3188527 BCB03_000355 CC1=C[C@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@@H]4[C@@]5(CO5)C(=O)C(=C[C@@]42C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B17 compound treatment 0.452 -0.0444 -1.4 0.455 -0.0399 -1.18 -1.8228 -0.9965 3070997 BCB03_000356 CCCC/C=C/[C@H]([C@@H](O)Cc1ccccc1)N(CC#Cc2ccccc2)Cc3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B18 compound treatment 0.504 0.00759 0.24 0.513 0.0181 0.54 0.5486 0.9334 3070938 BCB03_000357 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B19 compound treatment 0.466 -0.0304 -0.96 0.47 -0.0249 -0.74 -1.1972 -0.9917 3071055 BCB03_000358 CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B20 compound treatment 0.48 -0.0164 -0.52 0.487 -0.00788 -0.23 -0.5298 -0.9357 3070939 BCB03_000359 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)c4ccccc4)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B21 compound treatment 0.498 0.00159 0.05 0.504 0.00912 0.27 0.2266 0.8241 3188794 BCB03_000360 O[C@@H](Cc1ccccc1)[C@H](NCc2cccc(Cl)c2)/C=C/C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B22 compound treatment 0.493 -0.00341 -0.11 0.492 -0.00288 -0.09 -0.136 -0.9936 3188531 BCB03_000361 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B23 compound treatment 0.462 -0.0344 -1.08 0.47 -0.0249 -0.74 -1.2862 -0.9825 3188796 BCB03_000362 O[C@@H](Cc1ccccc1)[C@@H](/C=C/C2CC2)N(CC#Cc3ccccc3)Cc4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 B24 compound treatment 0.481 -0.0154 -0.48 0.474 -0.0209 -0.62 -0.7799 -0.9927 3188532 BCB03_000363 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C01 compound treatment 0.514 0.0176 0.55 0.522 0.0271 0.8 0.9595 0.9834 3070235 BCB03_000364 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4cc(C)c(OC)c(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C02 compound treatment 0.499 0.00259 0.08 0.494 -8.75E-4 -0.03 0.0393 0.4596 3189039 BCB03_000365 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C03 compound treatment 0.484 -0.0124 -0.39 0.49 -0.00488 -0.14 -0.378 -0.9087 3070236 BCB03_000366 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)c4ccc(OC)nc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C04 compound treatment 0.561 0.0646 2.03 0.539 0.0441 1.31 2.3607 0.9773 3070086 BCB03_000367 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(CCCNC(=N)N)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C05 compound treatment 0.471 -0.0254 -0.8 0.49 -0.00488 -0.14 -0.667 -0.8216 3188655 BCB03_000368 CCCCCCc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc3[C@@H](O[Si](C(C)C)(C(C)C)c31)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C06 compound treatment 0.475 -0.0214 -0.67 0.483 -0.0119 -0.35 -0.7248 -0.9542 3070191 BCB03_000369 N[C@@H](Cc1ccccc1)C(=O)NCc2cn(Cc3ccccc3)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C07 compound treatment 0.485 -0.0114 -0.36 0.471 -0.0239 -0.71 -0.7539 -0.9504 3188656 BCB03_000370 CCCCCCc1nc(cc2[C@@H](O[Si](C(C)C)(C(C)C)c21)c3ccccc3)C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C08 compound treatment 0.489 -0.00741 -0.23 0.49 -0.00488 -0.14 -0.2668 -0.9736 3071180 BCB03_000371 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)c3ccccn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C09 compound treatment 0.491 -0.00541 -0.17 0.496 0.00112 0.03 -0.0966 -0.5578 3188772 BCB03_000372 CCCCCCc1nc(CCCc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCCCCC)n2)c4ccccc4)cc5[C@@H](O[Si](C(C)C)(C(C)C)c51)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C10 compound treatment 0.5 0.00359 0.11 0.52 0.0251 0.74 0.6063 0.8052 3070134 BCB03_000373 OC(=O)[C@H](Cc1ccccc1)n2cc(nn2)C3(O)CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C11 mock treatment 0.494 -0.00241 -0.08 0.505 0.0101 0.3 0.1586 0.5127 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C12 mock treatment 0.499 0.00259 0.08 0.498 0.00312 0.09 0.1231 0.998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C13 compound treatment 0.498 0.00159 0.05 0.528 0.0331 0.98 0.7295 0.7422 3070242 BCB03_000374 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C14 compound treatment 0.487 -0.00941 -0.3 0.497 0.00212 0.06 -0.1646 -0.5444 3070089 BCB03_000375 CC(C)[C@@H](C(=O)O)n1cc(nn1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C15 mock treatment 0.487 -0.00941 -0.3 0.493 -0.00188 -0.06 -0.2484 -0.8255 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C16 mock treatment 0.486 -0.0104 -0.33 0.497 0.00212 0.06 -0.1868 -0.5607 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C17 compound treatment 0.487 -0.00941 -0.3 0.497 0.00212 0.06 -0.1646 -0.5444 3070245 BCB03_000376 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C18 compound treatment 0.487 -0.00941 -0.3 0.502 0.00712 0.21 -0.0598 -0.1647 3071179 BCB03_000377 CC(C)[C@@H](C(=O)O)n1cc(nn1)C2(O)CCCCC2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C19 compound treatment 0.471 -0.0254 -0.8 0.492 -0.00288 -0.09 -0.6251 -0.7781 3070527 BCB03_000378 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C20 compound treatment 0.492 -0.00441 -0.14 0.487 -0.00788 -0.23 -0.263 -0.969 3414058 BCB03_000379 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C21 compound treatment 0.503 0.00659 0.21 0.493 -0.00188 -0.06 0.1073 0.5 3070530 BCB03_000380 CC(C)[Si]1(OCc2cc(nc(c21)c3ccccc3)C4CC4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C22 compound treatment 0.486 -0.0104 -0.33 0.491 -0.00388 -0.11 -0.3126 -0.9014 3189555 BCB03_000381 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C23 compound treatment 0.537 0.0406 1.28 0.546 0.0511 1.51 1.9738 0.9964 3070081 BCB03_000382 CC(C)[Si]1(OCc2c1c(nc(c3ccc(o3)c4ccc(Cl)c(Cl)c4)c2C)c5ccccc5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 C24 compound treatment 0.514 0.0176 0.55 0.513 0.0181 0.54 0.7709 0.9999 3189558 BCB03_000383 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D01 compound treatment 0.568 0.0716 2.25 0.559 0.0641 1.9 2.9354 0.9964 3071060 BCB03_000384 O[C@@H](Cc1ccccc1)[C@H](NCc2ccccc2Br)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D02 compound treatment 0.536 0.0396 1.24 0.512 0.0171 0.51 1.2391 0.9217 3070941 BCB03_000385 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4[nH]ccc4c3)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D03 compound treatment 0.503 0.00659 0.21 0.502 0.00712 0.21 0.2959 1.0 3188797 BCB03_000386 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC=C3CN2Cc4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D04 compound treatment 0.498 0.00159 0.05 0.496 0.00112 0.03 0.059 0.9804 3070942 BCB03_000387 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D05 compound treatment 0.451 -0.0454 -1.43 0.471 -0.0239 -0.71 -1.5098 -0.9475 3188798 BCB03_000388 COC1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c3ccccc3)[C@H](Cc4ccccc4)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D06 compound treatment 0.493 -0.00341 -0.11 0.476 -0.0189 -0.56 -0.4712 -0.8275 3070943 BCB03_000389 CC(C)Oc1ccc(cc1)C(=O)N2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D07 compound treatment 0.499 0.00259 0.08 0.498 0.00312 0.09 0.1231 0.998 3188799 BCB03_000390 CN1C(=O)C2C3[C@H]([C@@H](O)Cc4ccccc4)N(Cc5cccc(Cl)c5)CC3=CC(C6CC6)C2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D08 compound treatment 0.482 -0.0144 -0.45 0.478 -0.0169 -0.5 -0.6739 -0.9988 3188537 BCB03_000391 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc(Br)cc3)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D09 compound treatment 0.492 -0.00441 -0.14 0.49 -0.00488 -0.14 -0.2001 -0.9998 3071066 BCB03_000392 O[C@@H](Cc1ccccc1)[C@H](N(CC#C)CC2=CCCCC2)c3ccccc3Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D10 compound treatment 0.504 0.00759 0.24 0.5 0.00512 0.15 0.2762 0.9761 3070952 BCB03_000393 CC(C)Cc1ccc(CN2CC[C@@H](N)C2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D11 mock treatment 0.475 -0.0214 -0.67 0.495 1.25E-4 0.0 -0.4733 -0.7032 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D12 mock treatment 0.499 0.00259 0.08 0.488 -0.00688 -0.2 -0.0864 -0.3936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D13 compound treatment 0.483 -0.0134 -0.42 0.489 -0.00588 -0.17 -0.4212 -0.9235 3071068 BCB03_000394 O=C(Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D14 compound treatment 0.5 0.00359 0.11 0.506 0.0111 0.33 0.313 0.8982 3070953 BCB03_000395 CC(C)Cc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D15 mock treatment 0.473 -0.0234 -0.74 0.488 -0.00688 -0.2 -0.6645 -0.8701 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D16 mock treatment 0.487 -0.00941 -0.3 0.488 -0.00688 -0.2 -0.3532 -0.9834 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D17 compound treatment 0.526 0.0296 0.93 0.525 0.0301 0.89 1.2892 0.9998 3071112 BCB03_000396 O[C@@H](Cc1ccccc1)[C@H]2C3C=CCCC(=C3CN2Cc4cccc(Cl)c4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D18 compound treatment 0.495 -0.00141 -0.04 0.507 0.0121 0.36 0.2228 0.6154 3070954 BCB03_000397 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)c3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D19 compound treatment 0.488 -0.00841 -0.26 0.472 -0.0229 -0.68 -0.6662 -0.9157 3188804 BCB03_000398 Clc1cccc(CN2CC3=CCCC=CC3[C@@H]2[C@H](Cc4ccccc4)OC(=O)C=C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D20 compound treatment 0.542 0.0456 1.43 0.535 0.0401 1.19 1.8545 0.9957 3188664 BCB03_000399 CC(C)Cc1ccc(CN2CC[C@H](C2)NC(=O)Nc3ccccc3)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D21 compound treatment 0.515 0.0186 0.58 0.517 0.0221 0.66 0.877 0.9984 3071454 BCB03_000400 CCC1=C2CN(Cc3ccccc3Br)[C@@H]([C@@H](O)Cc4ccccc4)C2C=CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D22 compound treatment 0.478 -0.0184 -0.58 0.479 -0.0159 -0.47 -0.7419 -0.9947 3188665 BCB03_000401 CC(C)Oc1ccc(CN2CC[C@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D23 compound treatment 0.499 0.00259 0.08 0.507 0.0121 0.36 0.3117 0.8461 3071455 BCB03_000402 CCC1=C2CN(Cc3ccccc3)[C@H](C2C=CCC1)C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 D24 compound treatment 0.554 0.0576 1.81 0.539 0.0441 1.31 2.2051 0.9872 3070994 BCB03_000403 CC(C)Oc1ccc(CN2CC[C@@H](C2)NS(=O)(=O)c3cc(F)ccc3C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E01 mock treatment 0.517 0.0206 0.65 0.52 0.0251 0.74 0.9843 0.9976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E02 mock treatment 0.499 0.00259 0.08 0.499 0.00412 0.12 0.1441 0.9807 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E03 compound treatment 0.488 -0.00841 -0.26 0.478 -0.0169 -0.5 -0.5405 -0.9556 3189040 BCB03_000404 COc1c(C)cc(cc1C)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E04 compound treatment 0.484 -0.0124 -0.39 0.479 -0.0159 -0.47 -0.6085 -0.9957 3189560 BCB03_000405 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H]5CCCN5C2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E05 compound treatment 0.468 -0.0284 -0.89 0.463 -0.0319 -0.94 -1.2994 -0.9996 3189041 BCB03_000406 COc1ccc(cn1)c2nc(c3c(CO[Si]3(C(C)C)C(C)C)c2C)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E06 compound treatment 0.481 -0.0154 -0.48 0.475 -0.0199 -0.59 -0.759 -0.9953 3189559 BCB03_000407 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cnnn4C[C@@H]5CCCN5C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E07 compound treatment 0.504 0.00759 0.24 0.493 -0.00188 -0.06 0.1296 0.5285 3189042 BCB03_000408 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E08 compound treatment 0.485 -0.0114 -0.36 0.476 -0.0189 -0.56 -0.6491 -0.9769 3189043 BCB03_000409 N[C@@H](Cc1ccccc1)Cn2cc(nn2)C3(O)CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E09 mock treatment 0.492 -0.00441 -0.14 0.49 -0.00488 -0.14 -0.2001 -0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E10 mock treatment 0.494 -0.00241 -0.08 0.491 -0.00388 -0.11 -0.1347 -0.9795 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E11 compound treatment 0.486 -0.0104 -0.33 0.486 -0.00888 -0.26 -0.4173 -0.9941 3070137 BCB03_000410 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E12 compound treatment 0.507 0.0106 0.33 0.517 0.0221 0.66 0.6991 0.9507 3070143 BCB03_000411 N[C@@H](Cc1ccccc1)Cn2cc(nn2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E13 compound treatment 0.487 -0.00941 -0.3 0.511 0.0161 0.48 0.1287 0.2291 3189044 BCB03_000412 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(n2)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E14 compound treatment 0.473 -0.0234 -0.74 0.48 -0.0149 -0.44 -0.8321 -0.9699 3189695 BCB03_000413 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cn(C[C@H](Cc4ccccc4)NC2=O)nn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E15 compound treatment 0.515 0.0186 0.58 0.531 0.0361 1.07 1.1703 0.9595 3189045 BCB03_000414 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccccc3)C4CC4)c5ccccc5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E16 compound treatment 0.488 -0.00841 -0.26 0.492 -0.00288 -0.09 -0.2471 -0.8899 3071393 BCB03_000415 COC(=O)c1nc2oc1CC[C@@H](CO)NC(=O)N(C)Cc3cnnn3C[C@H](Cc4ccccc4)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E17 mock treatment 0.489 -0.00741 -0.23 0.491 -0.00388 -0.11 -0.2459 -0.9469 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E18 mock treatment 0.478 -0.0184 -0.58 0.473 -0.0219 -0.65 -0.8676 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E19 compound treatment 0.517 0.0206 0.65 0.499 0.00412 0.12 0.5443 0.826 3189046 BCB03_000416 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E20 compound treatment 0.471 -0.0254 -0.8 0.472 -0.0229 -0.68 -1.0442 -0.9967 3071396 BCB03_000417 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](C)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E21 compound treatment 0.49 -0.00641 -0.2 0.481 -0.0139 -0.41 -0.4332 -0.9461 3189047 BCB03_000418 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E22 compound treatment 0.482 -0.0144 -0.45 0.475 -0.0199 -0.59 -0.7367 -0.9916 3187595 BCB03_000419 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](NC2=O)C(C)C)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E23 compound treatment 0.481 -0.0154 -0.48 0.482 -0.0129 -0.38 -0.6123 -0.993 3189169 BCB03_000420 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 E24 compound treatment 0.51 0.0136 0.43 0.52 0.0251 0.74 0.8287 0.9653 3187594 BCB03_000421 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F01 mock treatment 0.515 0.0186 0.58 0.532 0.0371 1.1 1.1913 0.9562 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F02 mock treatment 0.519 0.0226 0.71 0.501 0.00612 0.18 0.6307 0.8601 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F03 compound treatment 0.536 0.0396 1.24 0.498 0.00312 0.09 0.9458 0.7576 3071456 BCB03_000422 C/C=C\[C@@H](NCc1ccccc1Br)[C@@H](O)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F04 compound treatment 0.497 5.94E-4 0.02 0.492 -0.00288 -0.09 -0.047 -0.5393 3070995 BCB03_000423 Cc1ccc(F)cc1S(=O)(=O)N[C@@H]2CCN(Cc3ccc4OCOc4c3)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F05 compound treatment 0.505 0.00859 0.27 0.481 -0.0139 -0.41 -0.0996 -0.2025 3071457 BCB03_000424 CC(=CCN[C@H](CO)c1ccccc1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F06 compound treatment 0.497 5.94E-4 0.02 0.517 0.0221 0.66 0.4768 0.7269 2133134 BCB03_000425 CCCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F07 compound treatment 0.501 0.00459 0.14 0.511 0.0161 0.48 0.44 0.8815 3071458 BCB03_000426 CC(=CCN(CC#C)[C@H](CO)c1ccccc1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F08 compound treatment 0.492 -0.00441 -0.14 0.49 -0.00488 -0.14 -0.2001 -0.9998 2133147 BCB03_000427 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCO4)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F09 mock treatment 0.478 -0.0184 -0.58 0.488 -0.00688 -0.2 -0.5533 -0.9018 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F10 mock treatment 0.497 5.94E-4 0.02 0.493 -0.00188 -0.06 -0.0261 -0.445 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F11 compound treatment 0.543 0.0466 1.47 0.538 0.0431 1.28 1.9395 0.9977 3187737 BCB03_000428 CC(=CCN(CC#Cc1ccccc1)[C@H](CO)c2ccccc2)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F12 compound treatment 0.504 0.00759 0.24 0.5 0.00512 0.15 0.2762 0.9761 3188671 BCB03_000429 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCCc3c[nH]c4ccccc34)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F13 compound treatment 0.493 -0.00341 -0.11 0.492 -0.00288 -0.09 -0.136 -0.9936 3071460 BCB03_000430 O=C1OC[C@@H](c2ccccc2)n3cc(/C=C/c4ccccc4)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F14 compound treatment 0.491 -0.00541 -0.17 0.487 -0.00788 -0.23 -0.2852 -0.9879 2129060 BCB03_000431 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCC3CCCCC3)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F15 compound treatment 0.479 -0.0174 -0.55 0.487 -0.00788 -0.23 -0.552 -0.9278 3071461 BCB03_000432 CC(=C)C/1CN([C@H](CO)c2ccccc2)C(=O)\C1=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F16 compound treatment 0.498 0.00159 0.05 0.486 -0.00888 -0.26 -0.1505 -0.5622 2129057 BCB03_000433 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC[C@@H]3CCCO3)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F17 mock treatment 0.486 -0.0104 -0.33 0.481 -0.0139 -0.41 -0.5221 -0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F18 mock treatment 0.481 -0.0154 -0.48 0.484 -0.0109 -0.32 -0.5704 -0.9804 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F19 compound treatment 0.494 -0.00241 -0.08 0.485 -0.00988 -0.29 -0.2604 -0.8616 3071462 BCB03_000434 OCC(/C=C/c1ccccc1)N(CC#C)C(C(=O)O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F20 compound treatment 0.52 0.0236 0.74 0.505 0.0101 0.3 0.7367 0.9206 2129061 BCB03_000435 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NC3CCCCCC3)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F21 compound treatment 0.476 -0.0204 -0.64 0.475 -0.0199 -0.59 -0.8701 -0.9991 3071463 BCB03_000436 C/C=C/CN([C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1)C(=O)C#Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F22 compound treatment 0.478 -0.0184 -0.58 0.491 -0.00388 -0.11 -0.4904 -0.8312 2129067 BCB03_000437 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccccc3F)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F23 compound treatment 0.538 0.0416 1.31 0.493 -0.00188 -0.06 0.8855 0.6765 3071464 BCB03_000438 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 F24 compound treatment 0.533 0.0366 1.15 0.538 0.0431 1.28 1.7172 0.9986 2129068 BCB03_000439 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H](NCc3ccc(F)cc3)[C@@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G01 compound treatment 0.54 0.0436 1.37 0.541 0.0461 1.37 1.9357 1.0 3189170 BCB03_000440 COc1cc(Cc2cc3CO[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G02 compound treatment 0.475 -0.0214 -0.67 0.478 -0.0169 -0.5 -0.8295 -0.9893 3187594 BCB03_000441 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G03 mock treatment 0.483 -0.0134 -0.42 0.532 0.0371 1.1 0.4798 0.4073 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G04 mock treatment 0.476 -0.0204 -0.64 0.478 -0.0169 -0.5 -0.8073 -0.9924 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G05 compound treatment 0.491 -0.00541 -0.17 0.482 -0.0129 -0.38 -0.39 -0.9337 3189171 BCB03_000442 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G06 compound treatment 0.492 -0.00441 -0.14 0.472 -0.0229 -0.68 -0.5773 -0.8344 3187597 BCB03_000443 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](NC2=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G07 compound treatment 0.492 -0.00441 -0.14 0.492 -0.00288 -0.09 -0.1582 -0.9727 3071182 BCB03_000444 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G08 compound treatment 0.489 -0.00741 -0.23 0.492 -0.00288 -0.09 -0.2249 -0.907 3189696 BCB03_000445 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G09 compound treatment 0.505 0.00859 0.27 0.497 0.00212 0.06 0.2356 0.8491 3189286 BCB03_000446 CC(C)[Si]1(O[C@H](c2cc(nc(CCc3ccccc3)c21)c4ccc(o4)c5ccc(Cl)c(Cl)c5)c6ccccc6)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G10 compound treatment 0.468 -0.0284 -0.89 0.448 -0.0469 -1.39 -1.6137 -0.9772 3187593 BCB03_000447 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)NC3(CCCCC3)c4cnnn4C[C@@H](Cc5ccccc5)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G11 compound treatment 0.509 0.0126 0.4 0.503 0.00812 0.24 0.4502 0.9715 3189287 BCB03_000448 COc1c(C)cc(cc1C)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G12 compound treatment 0.484 -0.0124 -0.39 0.477 -0.0179 -0.53 -0.6504 -0.9887 3414059 BCB03_000449 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(Cc5ccccc5)C2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G13 compound treatment 0.492 -0.00441 -0.14 0.521 0.0261 0.77 0.4494 0.5715 3189288 BCB03_000450 COc1ccc(cn1)c2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G14 compound treatment 0.488 -0.00841 -0.26 0.478 -0.0169 -0.5 -0.5405 -0.9556 3414060 BCB03_000451 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(nn4)C5(CCCCC5)NC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G15 compound treatment 0.531 0.0346 1.09 0.529 0.0341 1.01 1.4842 0.9993 3189289 BCB03_000452 COc1cc(Cc2cc3[C@@H](O[Si](C(C)C)(C(C)C)c3c(CCc4ccccc4)n2)c5ccccc5)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G16 compound treatment 0.5 0.00359 0.11 0.494 -8.75E-4 -0.03 0.0616 0.5311 3189561 BCB03_000453 CN1Cc2cn(C[C@H](Cc3ccccc3)NC(=O)c4cc(c(CC[C@@H](CO)NC1=O)o4)S(=O)(=O)c5ccc(C)cc5)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G17 compound treatment 0.512 0.0156 0.49 0.493 -0.00188 -0.06 0.3074 0.623 3189171 BCB03_000454 CC(C)[Si]1(OCc2cc(nc(CCc3ccccc3)c21)C4CC4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G18 compound treatment 0.485 -0.0114 -0.36 0.492 -0.00288 -0.09 -0.3138 -0.8514 3189290 BCB03_000455 COc1ccc(cc1)[C@H]2OC[C@@H]3CC(CC=C)(CC=C)C(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G19 mock treatment 0.492 -0.00441 -0.14 0.495 1.25E-4 0.0 -0.0953 -0.688 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G20 mock treatment 0.47 -0.0264 -0.83 0.474 -0.0209 -0.62 -1.0245 -0.9895 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G21 compound treatment 0.493 -0.00341 -0.11 0.5 0.00512 0.15 0.0316 0.1703 3071182 BCB03_000456 CC(C)[Si]1(OCc2cc(CCCc3cc4CO[Si](C(C)C)(C(C)C)c4c(CCc5ccccc5)n3)nc(CCc6ccccc6)c21)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G22 compound treatment 0.478 -0.0184 -0.58 0.487 -0.00788 -0.23 -0.5742 -0.9202 3071255 BCB03_000457 NC(=N)NCC#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G23 compound treatment 0.498 0.00159 0.05 0.48 -0.0149 -0.44 -0.2762 -0.6227 3188910 BCB03_000458 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)c5ccc(o5)c6ccc(Cl)c(Cl)c6)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 G24 compound treatment 0.5 0.00359 0.11 0.499 0.00412 0.12 0.1663 0.9992 3189419 BCB03_000459 OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H01 compound treatment 0.533 0.0366 1.15 0.536 0.0411 1.22 1.6753 0.9996 3071464 BCB03_000460 O=C1OC[C@H](N(CC#C)C1/C=C/c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H02 compound treatment 0.499 0.00259 0.08 0.51 0.0151 0.45 0.3746 0.8223 3071064 BCB03_000461 CCCC(=O)N(CCc1c[nH]c2ccccc12)[C@@H]3CC(=C[C@H](Oc4c(I)cc(CO)cc4OC)[C@H]3O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H03 mock treatment 0.483 -0.0134 -0.42 0.479 -0.0159 -0.47 -0.6307 -0.9985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H04 mock treatment 0.503 0.00659 0.21 0.497 0.00212 0.06 0.1911 0.8821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H05 compound treatment 0.504 0.00759 0.24 0.486 -0.00888 -0.26 -0.0171 -0.0482 3071517 BCB03_000462 CC(=C)C1C(=C)CN([C@H](CO)c2ccccc2)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H06 compound treatment 0.498 0.00159 0.05 0.474 -0.0209 -0.62 -0.402 -0.6477 2133032 BCB03_000463 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4ccc(cc4)C(F)(F)F)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H07 compound treatment 0.477 -0.0194 -0.61 0.471 -0.0239 -0.71 -0.9317 -0.9973 3187880 BCB03_000464 CC(C)(C)OC(=O)N(CC#C)[C@H](CO)c1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H08 compound treatment 0.49 -0.00641 -0.2 0.496 0.00112 0.03 -0.1189 -0.5822 2133035 BCB03_000465 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H09 compound treatment 0.555 0.0586 1.84 0.549 0.0541 1.6 2.4368 0.9976 3071519 BCB03_000466 CC(=CCN([C@H](CO)c1ccccc1)C(=O)C#Cc2ccccc2)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H10 compound treatment 0.498 0.00159 0.05 0.49 -0.00488 -0.14 -0.0667 -0.4363 2133267 BCB03_000467 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(Cc3ccc(F)cc3)C(=O)C4CCCO4)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H11 compound treatment 0.531 0.0346 1.09 0.528 0.0331 0.98 1.4632 0.9987 3071520 BCB03_000468 OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H12 compound treatment 0.476 -0.0204 -0.64 0.494 -8.75E-4 -0.03 -0.472 -0.7351 2133153 BCB03_000469 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCOC4)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H13 compound treatment 0.475 -0.0214 -0.67 0.508 0.0131 0.39 -0.2009 -0.2585 3071521 BCB03_000470 CC(C)(C)[Si](C)(C)OC[C@@H](N(C/C=C/c1ccccc1)CC#C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H14 compound treatment 0.502 0.00559 0.18 0.508 0.0131 0.39 0.3994 0.9357 2132929 BCB03_000471 CC/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H15 compound treatment 0.472 -0.0244 -0.77 0.46 -0.0349 -1.03 -1.2734 -0.9893 3071522 BCB03_000472 O=C1OC[C@H](N2CC(=CC21)/C=C/c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H16 compound treatment 0.494 -0.00241 -0.08 0.488 -0.00688 -0.2 -0.1976 -0.9091 2133065 BCB03_000473 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)c4cc5ccccc5oc4=O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H17 compound treatment 0.541 0.0446 1.4 0.515 0.0201 0.6 1.4132 0.9274 3071523 BCB03_000474 OCC(/C=C/c1ccccc1)N(CC#C)Cc2ccccc2Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H18 compound treatment 0.488 -0.00841 -0.26 0.486 -0.00888 -0.26 -0.3729 -1.0 2133224 BCB03_000475 CCCCC(=O)N(Cc1ccccc1F)[C@@H]2CC(=C[C@H](Oc3c(I)cc(CO)cc3OC)[C@H]2O)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H19 mock treatment 0.483 -0.0134 -0.42 0.482 -0.0129 -0.38 -0.5678 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H20 mock treatment 0.482 -0.0144 -0.45 0.494 -8.75E-4 -0.03 -0.3386 -0.7464 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H21 compound treatment 0.493 -0.00341 -0.11 0.45 -0.0449 -1.33 -1.016 -0.7616 3071524 BCB03_000476 OCC1C=C(CN1Cc2ccccc2Br)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H22 compound treatment 0.593 0.0966 3.04 0.546 0.0511 1.51 3.2189 0.9484 2133510 BCB03_000477 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCc3cccc(F)c3)C(=O)CCC4CCCC4)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H23 compound treatment 0.478 -0.0184 -0.58 0.485 -0.00988 -0.29 -0.6162 -0.9501 3414064 BCB03_000478 O=S1(=O)N2CCC[C@@H]2[C@@H](Oc3ccccc31)C#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 H24 compound treatment 0.546 0.0496 1.56 0.586 0.0911 2.7 3.012 0.966 2128988 BCB03_000479 COc1cc(CO)cc(I)c1O[C@H]2C=C(C[C@@H]3O[C@@H]32)C(=O)NCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I01 compound treatment 0.52 0.0236 0.74 0.52 0.0251 0.74 1.051 1.0 3070742 BCB03_000480 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I02 compound treatment 0.479 -0.0174 -0.55 0.485 -0.00988 -0.29 -0.5939 -0.957 3189420 BCB03_000481 COc1ccc(cc1)[C@H]2OC[C@@H]3C[C@](Cc4ccccc4)(C(=O)OCC=C)C(=O)N23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I03 compound treatment 0.483 -0.0134 -0.42 0.462 -0.0329 -0.97 -0.9869 -0.9298 3070750 BCB03_000482 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(n2)c4ccc(Oc5ccccc5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I04 compound treatment 0.481 -0.0154 -0.48 0.473 -0.0219 -0.65 -0.8009 -0.9897 1035256 BCB03_000483 C#CCNCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I05 mock treatment 0.487 -0.00941 -0.3 0.486 -0.00888 -0.26 -0.3951 -0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I06 mock treatment 0.48 -0.0164 -0.52 0.472 -0.0229 -0.68 -0.8441 -0.9909 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I07 compound treatment 0.49 -0.00641 -0.2 0.476 -0.0189 -0.56 -0.5379 -0.9049 3188915 BCB03_000484 CC(C)[Si]1(OCc2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I08 compound treatment 0.494 -0.00241 -0.08 0.504 0.00912 0.27 0.1377 0.4904 3071258 BCB03_000485 CC(C)[C@H](N=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I09 compound treatment 0.492 -0.00441 -0.14 0.497 0.00212 0.06 -0.0534 -0.3512 3070808 BCB03_000486 CC(C)[Si]1(O[C@H](c2cc(nc(c21)c3ccc(Oc4ccccc4)cc3)C5CC5)c6ccccc6)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I10 compound treatment 0.48 -0.0164 -0.52 0.485 -0.00988 -0.29 -0.5717 -0.9639 3189550 BCB03_000487 COc1cccc(C[C@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I11 compound treatment 0.488 -0.00841 -0.26 0.5 0.00512 0.15 -0.0795 -0.2609 3070078 BCB03_000488 CC[C@@H]1O[Si](C(C)C)(C(C)C)c2c1cc(nc2c3ccc(Oc4ccccc4)cc3)c5cc(C)c(OC)c(C)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I12 compound treatment 0.489 -0.00741 -0.23 0.484 -0.0109 -0.32 -0.3925 -0.9873 3189551 BCB03_000489 COc1cccc(C[C@@]2(C[C@@H](CO)NC2=O)C(=O)OCc3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I13 compound treatment 0.489 -0.00741 -0.23 0.49 -0.00488 -0.14 -0.2668 -0.9736 3070690 BCB03_000490 CCCCCCc1nc(cc2CO[Si](C(C)C)(C(C)C)c21)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I14 compound treatment 0.478 -0.0184 -0.58 0.478 -0.0169 -0.5 -0.7628 -0.9973 3071267 BCB03_000491 CN(C)S(=O)(=O)NCC#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I15 compound treatment 0.489 -0.00741 -0.23 0.464 -0.0309 -0.91 -0.8116 -0.8597 3071259 BCB03_000492 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#Cc4ccccc4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I16 compound treatment 0.479 -0.0174 -0.55 0.48 -0.0149 -0.44 -0.6987 -0.9942 3189556 BCB03_000493 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N(Cc3ccccc3)Cc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I17 compound treatment 0.506 0.00959 0.3 0.49 -0.00488 -0.14 0.1112 0.3324 3071266 BCB03_000494 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCc4ccccc4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I18 compound treatment 0.49 -0.00641 -0.2 0.475 -0.0199 -0.59 -0.5589 -0.8979 3188911 BCB03_000495 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I19 compound treatment 0.473 -0.0234 -0.74 0.475 -0.0199 -0.59 -0.9368 -0.9939 3189415 BCB03_000496 CCCCCCC#C[Si](O[C@@H](C#C)c1ccccc1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I20 compound treatment 0.482 -0.0144 -0.45 0.478 -0.0169 -0.5 -0.6739 -0.9988 3188912 BCB03_000497 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](C)Cn3cc(CN(C)C2=O)nn3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I21 mock treatment 0.477 -0.0194 -0.61 0.479 -0.0159 -0.47 -0.7641 -0.9917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I22 mock treatment 0.49 -0.00641 -0.2 0.489 -0.00588 -0.17 -0.2655 -0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I23 compound treatment 0.497 5.94E-4 0.02 0.503 0.00812 0.24 0.1834 0.7597 3189416 BCB03_000498 CCCCCCC#C[Si](OCC#CC)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 I24 compound treatment 0.516 0.0196 0.62 0.502 0.00712 0.21 0.5849 0.8981 3188913 BCB03_000499 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)Cn4cc(CN(C)C2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J01 compound treatment 0.522 0.0256 0.8 0.529 0.0341 1.01 1.2841 0.9936 3071594 BCB03_000500 O=S1(=O)N2CCC[C@H]2[C@H](Oc3ccccc31)C#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J02 compound treatment 0.48 -0.0164 -0.52 0.48 -0.0149 -0.44 -0.6764 -0.9969 3187871 BCB03_000501 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)N(Cc3ccco3)C(=O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J03 compound treatment 0.498 0.00159 0.05 0.488 -0.00688 -0.2 -0.1086 -0.5177 3071530 BCB03_000502 CCOC(=O)[C@H]1C[C@H]2O[C@]32C[C@H]1C(=O)N4CCCC4[C@@H]3O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J04 compound treatment 0.504 0.00759 0.24 0.496 0.00112 0.03 0.1924 0.7981 2129008 BCB03_000503 OCCNC(=O)C1=C[C@H](Oc2ccccc2I)[C@@H](O)[C@@H](C1)NCc3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J05 mock treatment 0.494 -0.00241 -0.08 0.49 -0.00488 -0.14 -0.1556 -0.9545 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J06 mock treatment 0.505 0.00859 0.27 0.489 -0.00588 -0.17 0.068 0.2115 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J07 compound treatment 0.546 0.0496 1.56 0.495 1.25E-4 0.0 1.1053 0.7088 3071528 BCB03_000504 CCOC(=O)[C@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@@H]2O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J08 compound treatment 0.515 0.0186 0.58 0.511 0.0161 0.48 0.7513 0.995 3187877 BCB03_000505 CC(C)C[C@@H]1NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC(=O)[C@@H](C)NC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J09 compound treatment 0.506 0.00959 0.3 0.512 0.0171 0.51 0.5721 0.9691 3071529 BCB03_000506 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J10 compound treatment 0.524 0.0276 0.87 0.519 0.0241 0.71 1.119 0.9954 3188005 BCB03_000507 CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J11 compound treatment 0.507 0.0106 0.33 0.503 0.00812 0.24 0.4058 0.9873 3071527 BCB03_000508 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J12 compound treatment 0.505 0.00859 0.27 0.495 1.25E-4 0.0 0.1937 0.7167 3188007 BCB03_000509 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/CC\C=C\CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J13 compound treatment 0.487 -0.00941 -0.3 0.494 -8.75E-4 -0.03 -0.2275 -0.7662 3071654 BCB03_000510 [O-][N+](=O)c1ccccc1S(=O)(=O)N2CCC[C@@H]2[C@H]3OCC=C3C(=C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J14 compound treatment 0.518 0.0216 0.68 0.494 -8.75E-4 -0.03 0.4618 0.6796 3188008 BCB03_000511 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/CC\C=C\CNC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)NC4=O)[C@@H]7O[C@@]71C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J15 compound treatment 0.545 0.0486 1.53 0.507 0.0121 0.36 1.3345 0.8502 3071597 BCB03_000512 Cc1ccc(cc1)S(=O)(=O)NC/C=C\C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J16 compound treatment 0.506 0.00959 0.3 0.507 0.0121 0.36 0.4674 0.9962 3188142 BCB03_000513 C[C@@H](OCc1ccccc1)C2NC(=O)[C@@]3(C4[C@H](Cc5ccccc5)NC3=O)C(/C=C/C\C=C/CNC(=O)[C@@H](C)NC2=O)[C@@H]6O[C@]6(C)[C@H]4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J17 compound treatment 0.506 0.00959 0.3 0.493 -0.00188 -0.06 0.174 0.5673 3071598 BCB03_000514 Cc1ccc(cc1)S(=O)(=O)NC/C=C/C(=C)[C@H](O)[C@H]2CCCN2S(=O)(=O)c3ccccc3[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J18 compound treatment 0.523 0.0266 0.84 0.508 0.0131 0.39 0.8663 0.9394 3188271 BCB03_000515 CC(C)C[C@H]1NC(=O)CNC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J19 compound treatment 0.519 0.0226 0.71 0.49 -0.00488 -0.14 0.4002 0.552 3188138 BCB03_000516 Cc1ccc(cc1)S(=O)(=O)N(CCC=C)CC#C[C@H]2Oc3ccccc3S(=O)(=O)N4CCC[C@@H]24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J20 compound treatment 0.513 0.0166 0.52 0.49 -0.00488 -0.14 0.2668 0.4928 3188272 BCB03_000517 CC(C)C[C@H]1NC(=O)C(NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C)[C@@H](C)OCc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J21 mock treatment 0.495 -0.00141 -0.04 0.476 -0.0189 -0.56 -0.4267 -0.7606 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J22 mock treatment 0.502 0.00559 0.18 0.498 0.00312 0.09 0.1898 0.9551 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J23 compound treatment 0.542 0.0456 1.43 0.506 0.0111 0.33 1.2468 0.8476 3071656 BCB03_000518 CN1C(=C)C2CC3C4C(C5CO[C@H]([C@H]6CCCN6S(=O)(=O)c7ccccc7[N+](=O)[O-])C5=C3CC2C1=O)C(=O)N(C)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 J24 compound treatment 0.545 0.0486 1.53 0.532 0.0371 1.1 1.8583 0.987 3188275 BCB03_000519 CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@]2(C3[C@H](Cc4ccccc4)NC2=O)C(/C=C/C\C=C/CNC1=O)[C@@H]5O[C@]5(C)[C@H]3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K01 compound treatment 0.588 0.0916 2.88 0.582 0.0871 2.58 3.862 0.9985 3071254 BCB03_000520 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccccc2)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K02 compound treatment 0.506 0.00959 0.3 0.505 0.0101 0.3 0.4255 1.0 3220747 BCB03_000521 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCCC2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K03 compound treatment 0.508 0.0116 0.36 0.488 -0.00688 -0.2 0.1137 0.2723 3189418 BCB03_000522 CC#CCO[Si](C#Cc1ccccc1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K04 compound treatment 0.507 0.0106 0.33 0.51 0.0151 0.45 0.5524 0.9893 3220749 BCB03_000523 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCC(C)C)oc(C(=O)Cc2ccccc2)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K05 compound treatment 0.534 0.0376 1.18 0.506 0.0111 0.33 1.069 0.8711 3071256 BCB03_000524 CC(C)[Si](O[C@@H](C#C)c1ccccc1)(C#Cc2ccc(Oc3ccccc3)cc2)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K06 compound treatment 0.522 0.0256 0.8 0.501 0.00612 0.18 0.6974 0.8453 3220751 BCB03_000525 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2ccc(OC)cc2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K07 mock treatment 0.493 -0.00341 -0.11 0.485 -0.00988 -0.29 -0.2826 -0.9071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K08 mock treatment 0.503 0.00659 0.21 0.484 -0.0109 -0.32 -0.0813 -0.2121 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K09 compound treatment 0.521 0.0246 0.77 0.511 0.0161 0.48 0.8847 0.9732 3071257 BCB03_000526 CC[C@@H](O[Si](C#Cc1ccc(Oc2ccccc2)cc1)(C(C)C)C(C)C)C#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K10 compound treatment 0.514 0.0176 0.55 0.511 0.0161 0.48 0.729 0.9973 3220772 BCB03_000527 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCc2c[nH]c3ccccc23)oc(C(=O)Cc4ccccc4)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K11 compound treatment 0.512 0.0156 0.49 0.508 0.0131 0.39 0.6217 0.9934 3189421 BCB03_000528 CC(C)[Si](Oc1ccccc1Br)(C#CCCCC#N)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K12 compound treatment 0.508 0.0116 0.36 0.505 0.0101 0.3 0.4699 0.9953 3220775 BCB03_000529 COC(=O)c1c(CC[C@@H](CO)NC(=O)Nc2nc[nH]n2)oc(C(=O)Cc3ccccc3)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K13 compound treatment 0.526 0.0296 0.93 0.512 0.0171 0.51 1.0168 0.9593 3189422 BCB03_000530 CC[C@@H](O[Si](C#CCCCC#N)(C(C)C)C(C)C)C#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K14 compound treatment 0.491 -0.00541 -0.17 0.486 -0.00888 -0.26 -0.3062 -0.9777 3220649 BCB03_000531 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K15 mock treatment 0.512 0.0156 0.49 0.502 0.00712 0.21 0.496 0.9291 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K16 mock treatment 0.498 0.00159 0.05 0.509 0.0141 0.42 0.3314 0.7862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K17 compound treatment 0.507 0.0106 0.33 0.488 -0.00688 -0.2 0.0915 0.2343 3189552 BCB03_000532 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K18 compound treatment 0.502 0.00559 0.18 0.5 0.00512 0.15 0.2318 0.9973 3220651 BCB03_000533 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4cncn4C)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K19 compound treatment 0.511 0.0146 0.46 0.499 0.00412 0.12 0.4109 0.8653 3189553 BCB03_000534 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](CO)Cc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K20 compound treatment 0.508 0.0116 0.36 0.483 -0.0119 -0.35 0.009 0.0177 3220653 BCB03_000535 CCCCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K21 compound treatment 0.497 5.94E-4 0.02 0.495 1.25E-4 0.0 0.0158 0.8312 3189554 BCB03_000536 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(Cc2cccc(Cl)c2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K22 compound treatment 0.493 -0.00341 -0.11 0.487 -0.00788 -0.23 -0.2407 -0.9376 3220655 BCB03_000537 CCOC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K23 mock treatment 0.508 0.0116 0.36 0.498 0.00312 0.09 0.3233 0.8594 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 K24 mock treatment 0.527 0.0306 0.96 0.521 0.0261 0.77 1.2276 0.9942 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L01 compound treatment 0.541 0.0446 1.4 0.526 0.0311 0.92 1.6436 0.9793 3071655 BCB03_000538 CN1C(=O)C2CC=C(CC2C1=O)C3=CCO[C@@H]3[C@H]4CCCN4S(=O)(=O)c5ccccc5[N+](=O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L02 compound treatment 0.492 -0.00441 -0.14 0.494 -8.75E-4 -0.03 -0.1163 -0.8251 3188392 BCB03_000539 C[C@H]1C2[C@H](Cc3ccccc3)NC(=O)[C@@]24C(/C=C/C\C=C/CNC(=O)[C@@H]5CCCN5C(=O)CNC4=O)[C@@H]6O[C@@]61C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L03 compound treatment 0.508 0.0116 0.36 0.5 0.00512 0.15 0.3652 0.9246 3188141 BCB03_000540 C=CC(=C)[C@H]1Oc2ccccc2S(=O)(=O)N3CCC[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L04 compound treatment 0.51 0.0136 0.43 0.51 0.0151 0.45 0.6192 0.9997 3188274 BCB03_000541 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L05 compound treatment 0.505 0.00859 0.27 0.494 -8.75E-4 -0.03 0.1727 0.6363 3071592 BCB03_000542 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L06 compound treatment 0.504 0.00759 0.24 0.5 0.00512 0.15 0.2762 0.9761 3070931 BCB03_000543 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L07 mock treatment 0.482 -0.0144 -0.45 0.483 -0.0119 -0.35 -0.5691 -0.9922 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L08 mock treatment 0.498 0.00159 0.05 0.488 -0.00688 -0.2 -0.1086 -0.5177 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L09 compound treatment 0.493 -0.00341 -0.11 0.516 0.0211 0.63 0.3669 0.5777 3071592 BCB03_000544 CN1C(=O)C2CC=C(CC2C1=O)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L10 compound treatment 0.488 -0.00841 -0.26 0.493 -0.00188 -0.06 -0.2262 -0.8374 3070933 BCB03_000545 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L11 compound treatment 0.505 0.00859 0.27 0.517 0.0221 0.66 0.6547 0.9232 3071581 BCB03_000546 O=C1C2CC=C(CC2C(=O)c3ccccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L12 compound treatment 0.512 0.0156 0.49 0.515 0.0201 0.6 0.7684 0.9953 3188523 BCB03_000547 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L13 compound treatment 0.509 0.0126 0.4 0.526 0.0311 0.92 0.9322 0.9287 3071582 BCB03_000548 O=C1c2ccccc2C(=O)c3cc(ccc13)[C@H]4Oc5ccccc5S(=O)(=O)N6CCC[C@@H]46 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L14 compound treatment 0.493 -0.00341 -0.11 0.49 -0.00488 -0.14 -0.1779 -0.9892 3188524 BCB03_000549 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L15 mock treatment 0.495 -0.00141 -0.04 0.488 -0.00688 -0.2 -0.1753 -0.841 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L16 mock treatment 0.499 0.00259 0.08 0.491 -0.00388 -0.11 -0.0235 -0.167 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L17 compound treatment 0.516 0.0196 0.62 0.497 0.00212 0.06 0.4802 0.7753 3071529 BCB03_000550 CCOC(=O)[C@@H]1CC2O[C@@]32C[C@@H]1C(=O)N4CCC[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L18 compound treatment 0.513 0.0166 0.52 0.491 -0.00388 -0.11 0.2878 0.5386 3188525 BCB03_000551 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2n4n(C1)c(=O)n(c5ccccc5)c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L19 compound treatment 0.482 -0.0144 -0.45 0.468 -0.0269 -0.8 -0.8834 -0.9642 3071527 BCB03_000552 CCOC(=O)[C@@H]1CC=C2CC1C(=O)N3CCC[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L20 compound treatment 0.488 -0.00841 -0.26 0.491 -0.00388 -0.11 -0.2681 -0.9303 3188526 BCB03_000553 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@@H](CCc6ccccc6)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L21 compound treatment 0.516 0.0196 0.62 0.516 0.0211 0.63 0.8783 1.0 3071531 BCB03_000554 CCOC(=O)[C@@H]1[C@@H]2CN(CCC2=C[C@@H]3[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]4CCCN4C(=O)[C@@H]13)S(=O)(=O)c5ccc(C)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L22 compound treatment 0.497 5.94E-4 0.02 0.475 -0.0199 -0.59 -0.4032 -0.6843 3188538 BCB03_000555 CCCC[C@H]1OB(O)C[C@H]2C1=C(C)Cn3n2c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L23 mock treatment 0.486 -0.0104 -0.33 0.486 -0.00888 -0.26 -0.4173 -0.9941 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 L24 mock treatment 0.516 0.0196 0.62 0.506 0.0111 0.33 0.6687 0.9571 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M01 compound treatment 0.526 0.0296 0.93 0.536 0.0411 1.22 1.5197 0.9911 3071269 BCB03_000556 CC[C@@H](O[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)c1cn(nn1)[C@H](C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M02 compound treatment 0.5 0.00359 0.11 0.503 0.00812 0.24 0.2501 0.9405 3220657 BCB03_000557 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)c3ccccn3)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M03 compound treatment 0.505 0.00859 0.27 0.488 -0.00688 -0.2 0.047 0.139 3189557 BCB03_000558 CCCC#C[Si](O[C@H](CC)c1cn(Cc2ccccc2)nn1)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M04 compound treatment 0.521 0.0246 0.77 0.502 0.00712 0.21 0.6961 0.8684 3220659 BCB03_000559 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCCC3)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M05 compound treatment 0.492 -0.00441 -0.14 0.509 0.0141 0.42 0.198 0.4491 3071329 BCB03_000560 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M06 compound treatment 0.497 5.94E-4 0.02 0.507 0.0121 0.36 0.2673 0.7428 3220661 BCB03_000561 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](C)Cn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M07 compound treatment 0.487 -0.00941 -0.3 0.496 0.00112 0.03 -0.1856 -0.6235 3071331 BCB03_000562 CCCC#C[Si](O[C@H](CC)c1cn(nn1)[C@H](C)c2ccccc2)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M08 compound treatment 0.497 5.94E-4 0.02 0.5 0.00512 0.15 0.1206 0.7881 3220665 BCB03_000563 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(Cc3ccccc3)nn2)C(C)C)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M09 mock treatment 0.513 0.0166 0.52 0.511 0.0161 0.48 0.7068 0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M10 mock treatment 0.513 0.0166 0.52 0.5 0.00512 0.15 0.4763 0.8765 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M11 compound treatment 0.48 -0.0164 -0.52 0.461 -0.0339 -1.0 -1.0745 -0.9521 3071332 BCB03_000564 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M12 compound treatment 0.507 0.0106 0.33 0.502 0.00712 0.21 0.3848 0.9758 3220667 BCB03_000565 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)C3(O)CCCCC3)C(C)C)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M13 mock treatment 0.5 0.00359 0.11 0.492 -0.00288 -0.09 0.0197 0.139 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M14 mock treatment 0.495 -0.00141 -0.04 0.485 -0.00988 -0.29 -0.2382 -0.8048 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M15 compound treatment 0.526 0.0296 0.93 0.523 0.0281 0.83 1.2473 0.9985 3189692 BCB03_000566 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M16 compound treatment 0.658 0.162 5.08 0.573 0.0781 2.31 5.2298 0.9366 3220669 BCB03_000567 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cn2cc(nn2)c3cncn3C)C(C)C)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M17 compound treatment 0.486 -0.0104 -0.33 0.466 -0.0289 -0.86 -0.8364 -0.913 3189693 BCB03_000568 CCCCCCC#C[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M18 compound treatment 0.509 0.0126 0.4 0.508 0.0131 0.39 0.555 1.0 3414054 BCB03_000569 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M19 compound treatment 0.467 -0.0294 -0.92 0.478 -0.0169 -0.5 -1.0074 -0.9583 3189694 BCB03_000570 CCCCCCC#C[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M20 compound treatment 0.496 -4.06E-4 -0.01 0.487 -0.00788 -0.23 -0.174 -0.7447 3414055 BCB03_000571 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(Cc4ccccc4)nn3)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M21 compound treatment 0.509 0.0126 0.4 0.488 -0.00688 -0.2 0.136 0.3053 3071395 BCB03_000572 CC(C)[Si](O[C@@H](c1cn(Cc2ccccc2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M22 compound treatment 0.53 0.0336 1.06 0.544 0.0491 1.46 1.7762 0.9876 3414056 BCB03_000573 COC(=O)c1c(CC[C@@H](CO)NC(=O)N2CCC[C@H]2Cn3cc(nn3)C4(O)CCCCC4)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M23 compound treatment 0.504 0.00759 0.24 0.535 0.0401 1.19 1.0096 0.8325 3189697 BCB03_000574 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](CO)Cc2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 M24 compound treatment 0.518 0.0216 0.68 0.53 0.0351 1.04 1.2161 0.9786 3414057 BCB03_000575 CCCCc1cn(C[C@@H]2CCCN2C(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N01 compound treatment 0.529 0.0326 1.02 0.524 0.0291 0.86 1.3349 0.9963 3071585 BCB03_000576 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N02 compound treatment 0.511 0.0146 0.46 0.503 0.00812 0.24 0.4947 0.9547 3215882 BCB03_000577 CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn3n2c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N03 compound treatment 0.523 0.0266 0.84 0.502 0.00712 0.21 0.7406 0.8587 3188130 BCB03_000578 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N04 compound treatment 0.492 -0.00441 -0.14 0.496 0.00112 0.03 -0.0744 -0.5221 3215880 BCB03_000579 CCCC[C@H]1OB(O)C[C@H]2C1=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N05 compound treatment 0.502 0.00559 0.18 0.502 0.00712 0.21 0.2737 0.9959 3071587 BCB03_000580 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N06 compound treatment 0.547 0.0506 1.59 0.538 0.0431 1.28 2.0285 0.9941 3188542 BCB03_000581 CC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N07 compound treatment 0.513 0.0166 0.52 0.504 0.00912 0.27 0.5601 0.9532 3071588 BCB03_000582 BrC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N08 compound treatment 0.499 0.00259 0.08 0.5 0.00512 0.15 0.1651 0.9575 3071661 BCB03_000583 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(Cc5ccccc5)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N09 mock treatment 0.492 -0.00441 -0.14 0.48 -0.0149 -0.44 -0.4096 -0.8866 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N10 mock treatment 0.497 5.94E-4 0.02 0.5 0.00512 0.15 0.1206 0.7881 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N11 compound treatment 0.515 0.0186 0.58 0.513 0.0181 0.54 0.7932 0.9991 3071589 BCB03_000584 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N12 compound treatment 0.551 0.0546 1.72 0.551 0.0561 1.66 2.3898 0.9999 3188543 BCB03_000585 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)C=CC4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N13 mock treatment 0.497 5.94E-4 0.02 0.493 -0.00188 -0.06 -0.0261 -0.445 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N14 mock treatment 0.502 0.00559 0.18 0.494 -8.75E-4 -0.03 0.106 0.5964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N15 compound treatment 0.51 0.0136 0.43 0.506 0.0111 0.33 0.5353 0.9918 3071590 BCB03_000586 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N16 compound treatment 0.546 0.0496 1.56 0.559 0.0641 1.9 2.4463 0.9952 3070948 BCB03_000587 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)C=CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N17 compound treatment 0.532 0.0356 1.12 0.566 0.0711 2.11 2.2816 0.9562 3071591 BCB03_000588 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N18 compound treatment 0.552 0.0556 1.75 0.546 0.0511 1.51 2.3073 0.9975 3070949 BCB03_000589 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)C=CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N19 compound treatment 0.546 0.0496 1.56 0.512 0.0171 0.51 1.4615 0.8912 3188261 BCB03_000590 CO[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3cccc(C)c3)C(=O)[C@@]42CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N20 compound treatment 0.558 0.0616 1.94 0.56 0.0651 1.93 2.734 1.0 3070950 BCB03_000591 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)C=CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N21 compound treatment 0.515 0.0186 0.58 0.521 0.0261 0.77 0.9608 0.9904 3071600 BCB03_000592 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(OC)C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N22 compound treatment 0.521 0.0246 0.77 0.51 0.0151 0.45 0.8637 0.9664 3070951 BCB03_000593 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)C=CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N23 compound treatment 0.5 0.00359 0.11 0.5 0.00512 0.15 0.1873 0.9894 3071601 BCB03_000594 OCCOCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 N24 compound treatment 0.545 0.0486 1.53 0.543 0.0481 1.43 2.0888 0.9994 3071664 BCB03_000595 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@@H](CCc4ccccc4)O1)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O01 compound treatment 0.53 0.0336 1.06 0.508 0.0131 0.39 1.0219 0.9079 3187592 BCB03_000596 CC(C)[Si](O[C@@H](c1cn(Cc2cccc(Cl)c2)nn1)c3ccccc3)(C#CCCCC#N)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O02 compound treatment 0.521 0.0246 0.77 0.522 0.0271 0.8 1.1152 0.9998 3220705 BCB03_000597 CCc1oc(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCCC3)c(C(=O)OC)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O03 compound treatment 0.488 -0.00841 -0.26 0.473 -0.0219 -0.65 -0.6452 -0.9218 3071397 BCB03_000598 CC(C)[Si](O[C@@H](c1cn(nn1)[C@H](C)c2ccccc2)c3ccccc3)(C#CCCCC#N)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O04 compound treatment 0.505 0.00859 0.27 0.493 -0.00188 -0.06 0.1518 0.5502 3220708 BCB03_000599 COC(=O)c1c(CC[C@@H](CO)NC(=O)NCCn2cc(nn2)C3(O)CCCC3)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O05 compound treatment 0.509 0.0126 0.4 0.51 0.0151 0.45 0.5969 0.9981 3071398 BCB03_000600 CC(C)[Si](O[C@H](C)c1cn(Cc2ccccc2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O06 compound treatment 0.516 0.0196 0.62 0.519 0.0241 0.71 0.9411 0.9973 3220711 BCB03_000601 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O07 compound treatment 0.5 0.00359 0.11 0.503 0.00812 0.24 0.2501 0.9405 3071399 BCB03_000602 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](CO)Cc2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O08 compound treatment 0.551 0.0546 1.72 0.547 0.0521 1.54 2.306 0.9986 3220713 BCB03_000603 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4N)oc(C(=O)C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O09 compound treatment 0.52 0.0236 0.74 0.523 0.0281 0.83 1.1139 0.9983 3187596 BCB03_000604 CC(C)[Si](O[C@H](C)c1cn(Cc2cccc(Cl)c2)nn1)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O10 compound treatment 0.518 0.0216 0.68 0.507 0.0121 0.36 0.7342 0.9557 3220715 BCB03_000605 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)C)c(C(=O)OC)c3C(=O)OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O11 mock treatment 0.527 0.0306 0.96 0.513 0.0181 0.54 1.06 0.9621 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O12 mock treatment 0.526 0.0296 0.93 0.513 0.0181 0.54 1.0378 0.9659 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O13 compound treatment 0.5 0.00359 0.11 0.497 0.00212 0.06 0.1244 0.9619 3071400 BCB03_000606 CC(C)[Si](O[C@H](C)c1cn(nn1)[C@H](C)c2ccccc2)(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O14 compound treatment 0.524 0.0276 0.87 0.528 0.0331 0.98 1.3076 0.9981 3220717 BCB03_000607 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccc4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O15 compound treatment 0.517 0.0206 0.65 0.525 0.0301 0.89 1.0891 0.9876 3070694 BCB03_000608 COc1ccc(cn1)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O16 compound treatment 0.514 0.0176 0.55 0.519 0.0241 0.71 0.8967 0.992 3220739 BCB03_000609 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)c4ccccn4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O17 compound treatment 0.511 0.0146 0.46 0.513 0.0181 0.54 0.7042 0.9969 3070746 BCB03_000610 COc1c(C)cc(cc1C)c2cc3CO[Si](C(C)C)(C(C)C)c3c(Cc4ccccc4)n2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O18 compound treatment 0.527 0.0306 0.96 0.513 0.0181 0.54 1.06 0.9621 3220741 BCB03_000611 COC(=O)c1c(CC[C@@H](CO)NC(=O)N[C@@H](Cc2ccccc2)Cn3cc(nn3)C4(O)CCCC4)oc(C(=O)N5CCOCC5)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O19 compound treatment 0.525 0.0286 0.9 0.534 0.0391 1.16 1.4555 0.9921 3188534 BCB03_000612 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@@H]3[C@H]2[C@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O20 compound treatment 0.515 0.0186 0.58 0.506 0.0111 0.33 0.6465 0.9632 3220743 BCB03_000613 COCc1cn(C[C@H](Cc2ccccc2)NC(=O)N[C@H](CO)CCc3oc(C(=O)N4CCOCC4)c(C(=O)OC)c3C(=O)OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O21 compound treatment 0.538 0.0416 1.31 0.544 0.0491 1.46 1.9541 0.9986 3188535 BCB03_000614 COC(=O)[C@H](Cc1ccccc1)N2CC(=C)[C@H](/C=C/C=C)[C@H]2[C@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O22 compound treatment 0.537 0.0406 1.28 0.516 0.0211 0.63 1.3452 0.9462 3188660 BCB03_000615 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O23 compound treatment 0.526 0.0296 0.93 0.513 0.0181 0.54 1.0378 0.9659 3188536 BCB03_000616 O=C1O[C@H](Cc2ccccc2)[C@H](/C=C/C3CC3)N(CC#C)[C@H]1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 O24 compound treatment 0.579 0.0826 2.6 0.544 0.0491 1.46 2.8657 0.9626 3188661 BCB03_000617 COC(=O)[C@H](Cc1ccccc1)N(CC#C)[C@H](/C=C/C2CC2)[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P01 compound treatment 0.553 0.0566 1.78 0.552 0.0571 1.69 2.4552 0.9997 3071602 BCB03_000618 OCCCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P02 compound treatment 0.55 0.0536 1.69 0.536 0.0411 1.22 2.0533 0.9873 3071666 BCB03_000619 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)C)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P03 compound treatment 0.523 0.0266 0.84 0.536 0.0411 1.22 1.453 0.9831 3071603 BCB03_000620 OCCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P04 compound treatment 0.562 0.0656 2.06 0.577 0.0821 2.43 3.1791 0.9966 3071711 BCB03_000621 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COC)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P05 compound treatment 0.541 0.0446 1.4 0.556 0.0611 1.81 2.2722 0.992 3071604 BCB03_000622 CCCCO[C@H]1C[C@H]2C(=C[C@@H]1C(=O)[C@@]32CO3)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P06 compound treatment 0.552 0.0556 1.75 0.548 0.0531 1.57 2.3492 0.9986 3071776 BCB03_000623 CCCC[C@H]1OB(O)C[C@@H]2[C@H]3[C@@H](CC(=C12)COc4ccccc4)C(=O)N(Cc5ccccc5)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P07 compound treatment 0.559 0.0626 1.97 0.549 0.0541 1.6 2.5258 0.9948 3071651 BCB03_000624 IC1=C[C@H]2[C@H](C[C@@H]1[C@@]3(CO3)C2=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P08 compound treatment 0.577 0.0806 2.53 0.554 0.0591 1.75 3.0307 0.9838 3188405 BCB03_000625 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P09 compound treatment 0.583 0.0866 2.72 0.581 0.0861 2.55 3.7299 0.9995 3071652 BCB03_000626 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P10 compound treatment 0.563 0.0666 2.09 0.57 0.0751 2.23 3.0547 0.9995 3070929 BCB03_000627 COCC1=C2[C@@H](CCc3ccccc3)OB(O)C[C@@H]2[C@H]4[C@@H](C1)C(=O)N(C)C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P11 mock treatment 0.543 0.0466 1.47 0.511 0.0161 0.48 1.3738 0.8915 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P12 mock treatment 0.544 0.0476 1.5 0.517 0.0221 0.66 1.5218 0.9314 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P13 compound treatment 0.553 0.0566 1.78 0.553 0.0581 1.72 2.4762 0.9999 3071653 BCB03_000628 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@@H]2C(=O)[C@@]43CO4)I 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P14 compound treatment 0.568 0.0716 2.25 0.554 0.0591 1.75 2.8306 0.9923 3188406 BCB03_000629 CN1C(=O)[C@@H]2CC(=C3[C@@H](CCc4ccccc4)OB(O)C[C@@H]3[C@@H]2C1=O)COc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P15 compound treatment 0.565 0.0686 2.16 0.546 0.0511 1.51 2.5963 0.9851 3188268 BCB03_000630 CCCCO[C@H]1C[C@H]2C(=C[C@]1(CO)C(=O)[C@@]32CO3)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P16 compound treatment 0.553 0.0566 1.78 0.55 0.0551 1.63 2.4133 0.9991 3070998 BCB03_000631 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P17 compound treatment 0.566 0.0696 2.19 0.56 0.0651 1.93 2.9119 0.998 3071714 BCB03_000632 OC[C@@]1(C=C(Br)[C@@H]2C[C@@H]1c3ccccc3)C(=O)[C@@]42CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P18 compound treatment 0.541 0.0446 1.4 0.529 0.0341 1.01 1.7065 0.9871 3188793 BCB03_000633 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P19 compound treatment 0.566 0.0696 2.19 0.55 0.0551 1.63 2.7024 0.9896 3071715 BCB03_000634 Cc1cccc(c1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P20 compound treatment 0.544 0.0476 1.5 0.539 0.0441 1.31 1.9827 0.9977 3071118 BCB03_000635 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P21 compound treatment 0.553 0.0566 1.78 0.55 0.0551 1.63 2.4133 0.9991 3071717 BCB03_000636 COc1ccc(cc1)[C@H]2C[C@H]3C(=C[C@]2(CO)C(=O)[C@@]43CO4)Br 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P22 compound treatment 0.556 0.0596 1.87 0.556 0.0611 1.81 2.6057 0.9999 3071120 BCB03_000637 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P23 compound treatment 0.574 0.0776 2.44 0.569 0.0741 2.2 3.2783 0.9986 3071720 BCB03_000638 BrC1=C[C@]23COC[C@H]3C[C@@H]1[C@@]4(CO4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2282 P24 compound treatment 0.57 0.0736 2.31 0.57 0.0751 2.23 3.2103 0.9998 3188808 BCB03_000639 CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A01 compound treatment 0.566 0.0647 2.04 0.539 0.0277 0.82 2.0207 0.9204 3188923 BCB03_000640 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A02 compound treatment 0.563 0.0617 1.94 0.537 0.0257 0.76 1.9121 0.9167 3563114 BCB03_000641 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)c3ccccc3C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A03 compound treatment 0.543 0.0417 1.31 0.535 0.0237 0.7 1.4255 0.9572 3071127 BCB03_000642 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)CCc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A04 compound treatment 0.494 -0.00725 -0.23 0.495 -0.0163 -0.48 -0.5021 -0.9416 3563115 BCB03_000643 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A05 compound treatment 0.514 0.0127 0.4 0.523 0.0117 0.35 0.5293 0.9975 3071425 BCB03_000644 CCCC[C@@H](O)C1=C(C)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A06 compound treatment 0.517 0.0157 0.5 0.53 0.0187 0.56 0.7426 0.9984 3563116 BCB03_000645 COc1ccc(CN/2C(C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A07 compound treatment 0.526 0.0247 0.78 0.531 0.0197 0.58 0.9637 0.9901 3215868 BCB03_000646 CCCC[C@@H](O)C1=C(COC)Cn2n([C@H]1CO)c(=O)n(c3ccccc3)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A08 compound treatment 0.508 0.00675 0.21 0.523 0.0117 0.35 0.3959 0.9719 3563118 BCB03_000647 COc1ccc(CN2CCc3ccccc3C2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A09 compound treatment 0.515 0.0137 0.43 0.52 0.00873 0.26 0.4886 0.9699 3215866 BCB03_000648 CCCC[C@@H](O)C1=C(COc2ccccc2)Cn3n([C@H]1CO)c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A10 compound treatment 0.534 0.0327 1.03 0.545 0.0337 1.0 1.4349 0.9999 3563119 BCB03_000649 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)c3ccccc3C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A11 compound treatment 0.516 0.0147 0.46 0.522 0.0107 0.32 0.5528 0.9831 3070999 BCB03_000650 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A12 compound treatment 0.528 0.0267 0.84 0.528 0.0167 0.5 0.9453 0.9682 3563120 BCB03_000651 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C=C)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A13 mock treatment 0.52 0.0187 0.59 0.524 0.0127 0.38 0.6836 0.9767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A14 mock treatment 0.501 -2.52E-4 -0.01 0.502 -0.00927 -0.27 -0.1998 -0.7272 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A15 compound treatment 0.571 0.0697 2.19 0.569 0.0577 1.71 2.7604 0.9925 3071000 BCB03_000652 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)CCc3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A16 compound treatment 0.519 0.0177 0.56 0.505 -0.00627 -0.19 0.2633 0.4477 3563121 BCB03_000653 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A17 compound treatment 0.514 0.0127 0.4 0.525 0.0137 0.41 0.5712 1.0 3188676 BCB03_000654 CCCC[C@@H](O)C1=C(C)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A18 compound treatment 0.485 -0.0163 -0.51 0.513 0.00173 0.05 -0.325 -0.6329 3563123 BCB03_000655 COc1ccc(CN2CCc3ccccc3C2C=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A19 compound treatment 0.522 0.0207 0.65 0.503 -0.00827 -0.24 0.2881 0.4134 3188677 BCB03_000656 CCCC[C@@H](O)C1=C(COC)C[C@@H]2[C@H]([C@H]1CO)C(=O)N(Cc3ccccc3)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A20 compound treatment 0.519 0.0177 0.56 0.516 0.00473 0.14 0.4938 0.8581 3563124 BCB03_000657 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C3CC3)c4ccccc4C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A21 compound treatment 0.51 0.00875 0.28 0.508 -0.00327 -0.1 0.126 0.4322 3188788 BCB03_000658 CCCC[C@@H](O)C1=C(COc2ccccc2)C[C@@H]3[C@H]([C@H]1CO)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A22 compound treatment 0.505 0.00375 0.12 0.498 -0.0133 -0.39 -0.1947 -0.4743 3563125 BCB03_000659 CCOC(=O)C1=C2C(ON1)N(Cc3ccc(OC)cc3)C(C4CC4)c5ccccc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A23 compound treatment 0.52 0.0187 0.59 0.548 0.0367 1.09 1.1865 0.9585 3071005 BCB03_000660 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 A24 compound treatment 0.488 -0.0133 -0.42 0.496 -0.0153 -0.45 -0.6145 -0.9992 3563121 BCB03_000661 COc1ccc(CN/2C(C=C)c3ccccc3C\C2=N\P(=O)(Oc4ccccc4)Oc5ccccc5)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B01 compound treatment 0.501 -2.52E-4 -0.01 0.479 -0.0323 -0.96 -0.6817 -0.713 3216005 BCB03_000662 CN1C(=O)[C@@H]2C[C@]/3(C)OC[C@H]([C@@H]2C1=O)\C3=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B02 compound treatment 0.452 -0.0493 -1.55 0.429 -0.0823 -2.44 -2.8188 -0.976 3614372 BCB03_000663 CCCNc1ncnc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B03 compound treatment 0.484 -0.0173 -0.54 0.501 -0.0103 -0.3 -0.5987 -0.9626 3216013 BCB03_000664 CN1C(=O)[C@@H]2C[C@]/3(COc4ccccc4)OC[C@H]([C@@H]2C1=O)\C3=C/c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B04 compound treatment 0.406 -0.0953 -3.0 0.446 -0.0653 -1.93 -3.4854 -0.9776 3614373 BCB03_000665 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B05 compound treatment 0.444 -0.0573 -1.8 0.459 -0.0523 -1.55 -2.3681 -0.9972 3614374 BCB03_000666 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCc6cccc(Cl)c6)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B06 compound treatment 0.478 -0.0233 -0.73 0.496 -0.0153 -0.45 -0.8369 -0.9734 3614376 BCB03_000667 CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B07 compound treatment 0.468 -0.0333 -1.05 0.472 -0.0393 -1.16 -1.5621 -0.9986 3614378 BCB03_000668 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5cccc(COC(=O)NCC#C)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B08 compound treatment 0.443 -0.0583 -1.83 0.461 -0.0503 -1.49 -2.3484 -0.9947 3614380 BCB03_000669 Oc1ccc2ncnc(NCc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B09 compound treatment 0.474 -0.0273 -0.86 0.482 -0.0293 -0.87 -1.2192 -1.0 3614381 BCB03_000670 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B10 compound treatment 0.501 -2.52E-4 -0.01 0.51 -0.00127 -0.04 -0.0322 -0.838 3614383 BCB03_000671 ONC(=O)/C=C/c1ccc(OCCc2cccs2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B11 compound treatment 0.422 -0.0793 -2.49 0.424 -0.0873 -2.59 -3.5906 -0.9998 3614385 BCB03_000672 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B12 compound treatment 0.532 0.0307 0.97 0.545 0.0337 1.0 1.3904 0.9999 3614386 BCB03_000673 ONC(=O)/C=C/c1ccc(OCc2ccc-3c(Cc4ccccc43)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B13 mock treatment 0.452 -0.0493 -1.55 0.462 -0.0493 -1.46 -2.1274 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B14 mock treatment 0.484 -0.0173 -0.54 0.483 -0.0283 -0.84 -0.9759 -0.9779 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B15 compound treatment 0.445 -0.0563 -1.77 0.414 -0.0973 -2.88 -3.2887 -0.9725 3614388 BCB03_000674 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B16 compound treatment 0.492 -0.00925 -0.29 0.499 -0.0123 -0.36 -0.4627 -0.9939 3614389 BCB03_000675 ONC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B17 compound treatment 0.452 -0.0493 -1.55 0.442 -0.0693 -2.05 -2.5464 -0.9904 3614391 BCB03_000676 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@@H](CO)NC(=O)N[C@@H](Cc7ccccc7)c8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B18 compound treatment 0.51 0.00875 0.28 0.522 0.0107 0.32 0.4194 0.9974 3614392 BCB03_000677 ONC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B19 compound treatment 0.442 -0.0593 -1.86 0.446 -0.0653 -1.93 -2.6849 -0.9998 3556401 BCB03_000678 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B20 compound treatment 0.494 -0.00725 -0.23 0.491 -0.0203 -0.6 -0.5859 -0.9121 3614394 BCB03_000679 Nc1cccc(COc2ccc(/C=C/C(=O)NO)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B21 compound treatment 0.452 -0.0493 -1.55 0.473 -0.0383 -1.13 -1.8969 -0.9883 3556405 BCB03_000680 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B22 compound treatment 0.487 -0.0143 -0.45 0.489 -0.0223 -0.66 -0.7834 -0.9822 3614396 BCB03_000681 ONC(=O)/C=C/c1ccc(OCCCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B23 compound treatment 0.449 -0.0523 -1.64 0.461 -0.0503 -1.49 -2.215 -0.9988 3556409 BCB03_000682 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 B24 compound treatment 0.53 0.0287 0.9 0.526 0.0147 0.44 0.9479 0.9443 3614398 BCB03_000683 ONC(=O)/C=C/c1ccc(OCCCCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C01 compound treatment 0.52 0.0187 0.59 0.521 0.00973 0.29 0.6208 0.9459 3188790 BCB03_000684 COCC1=C([C@H](O)CCc2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C02 compound treatment 0.466 -0.0353 -1.11 0.467 -0.0443 -1.31 -1.7113 -0.9965 3563126 BCB03_000685 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C)C=C(C)C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C03 compound treatment 0.479 -0.0223 -0.7 0.515 0.00373 0.11 -0.4165 -0.588 3188791 BCB03_000686 CN1C(=O)[C@@H]2CC(=C([C@H](O)CCc3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C04 compound treatment 0.543 0.0417 1.31 0.548 0.0367 1.09 1.6979 0.9957 3563127 BCB03_000687 COc1ccc(CN/2C(C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C05 compound treatment 0.483 -0.0183 -0.57 0.47 -0.0413 -1.22 -1.2705 -0.9405 3071437 BCB03_000688 OB1OC(CCc2ccccc2)CC=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C06 compound treatment 0.484 -0.0173 -0.54 0.475 -0.0363 -1.07 -1.1435 -0.9499 3563129 BCB03_000689 COc1ccc(CN2C(C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C07 compound treatment 0.492 -0.00925 -0.29 0.497 -0.0143 -0.42 -0.5047 -0.9834 3071483 BCB03_000690 COC(=O)c1ccc(OC)c(/C=C\CC(OC(=O)c2ccncc2)c3ccccc3)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C08 compound treatment 0.477 -0.0243 -0.76 0.504 -0.00727 -0.22 -0.6915 -0.8727 3563130 BCB03_000691 COc1ccc(CN2CCC(=CC2C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C09 compound treatment 0.491 -0.0103 -0.32 0.492 -0.0193 -0.57 -0.6317 -0.9634 3071486 BCB03_000692 CC(=O)OC(C/C=C\B1OC(C)(C)C(C)(C)O1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C10 compound treatment 0.503 0.00175 0.05 0.5 -0.0113 -0.33 -0.1972 -0.5829 3563131 BCB03_000693 COC(=O)C1=CN(Cc2ccc(OC)cc2)C(C=C)C=C(C)C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C11 mock treatment 0.494 -0.00725 -0.23 0.492 -0.0193 -0.57 -0.565 -0.9189 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C12 mock treatment 0.491 -0.0103 -0.32 0.493 -0.0183 -0.54 -0.6107 -0.9693 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C13 compound treatment 0.552 0.0507 1.6 0.553 0.0417 1.24 2.0027 0.9921 3188011 BCB03_000694 O=C1C=C(C(=O)c2ccc(cc12)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C14 compound treatment 0.512 0.0107 0.34 0.536 0.0247 0.73 0.7572 0.9382 3563132 BCB03_000695 COc1ccc(CN/2C(C=C)C=C(C)C\C2=N\P(=O)(Oc3ccccc3)Oc4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C15 mock treatment 0.494 -0.00725 -0.23 0.491 -0.0203 -0.6 -0.5859 -0.9121 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C16 mock treatment 0.498 -0.00325 -0.1 0.485 -0.0263 -0.78 -0.6227 -0.7932 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C17 compound treatment 0.547 0.0457 1.44 0.558 0.0467 1.38 1.9963 0.9998 3071579 BCB03_000696 O=C1C=C(C(=O)C2=C1CC(=CC2)[C@H]3Oc4ccccc4S(=O)(=O)N5CCC[C@@H]35)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C18 compound treatment 0.5 -0.00125 -0.04 0.491 -0.0203 -0.6 -0.4525 -0.7519 3563134 BCB03_000697 COc1ccc(CN2C(C=C)C3C4C(C2C=C3C)C(=O)N(C)C4=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C19 compound treatment 0.493 -0.00825 -0.26 0.498 -0.0133 -0.39 -0.4615 -0.9797 3070932 BCB03_000698 OCC(NC(=O)OCC1c2ccccc2-c3ccccc13)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C20 compound treatment 0.476 -0.0253 -0.79 0.491 -0.0203 -0.6 -0.9861 -0.9905 3563135 BCB03_000699 COc1ccc(CN2CCC(=CC2C=C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C21 compound treatment 0.445 -0.0563 -1.77 0.444 -0.0673 -1.99 -2.6601 -0.9982 3188522 BCB03_000700 COc1ccc(CN([C@H](COC(=O)OC(C)(C)C)C=C)S(=O)(=O)c2ccc(Br)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C22 compound treatment 0.473 -0.0283 -0.89 0.48 -0.0313 -0.93 -1.2833 -0.9998 1025568 BCB03_000701 COc1cc2CCN(C)C(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C23 compound treatment 0.48 -0.0213 -0.67 0.522 0.0107 0.32 -0.2476 -0.3346 3070934 BCB03_000702 CC(=O)OCC(NS(=O)(=O)c1ccc(Br)cc1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 C24 compound treatment 0.53 0.0287 0.9 0.519 0.00773 0.23 0.8012 0.8592 3563136 BCB03_000703 COc1cc2CCN(C)C(C=C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D01 compound treatment 0.481 -0.0203 -0.64 0.484 -0.0273 -0.81 -1.0216 -0.9931 3556407 BCB03_000704 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D02 compound treatment 0.551 0.0497 1.56 0.547 0.0357 1.06 1.8548 0.9819 3614403 BCB03_000705 ONC(=O)/C=C/c1ccc(OCCn2c3ccccc3c4ccccc24)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D03 compound treatment 0.437 -0.0643 -2.02 0.451 -0.0603 -1.79 -2.6913 -0.9981 3556412 BCB03_000706 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D04 compound treatment 0.492 -0.00925 -0.29 0.481 -0.0303 -0.9 -0.8399 -0.8908 3614405 BCB03_000707 Cc1cccc(Cl)c1NC(=O)C2=CC=C(Cl)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D05 compound treatment 0.481 -0.0203 -0.64 0.454 -0.0573 -1.7 -1.6502 -0.9105 3614406 BCB03_000708 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D06 compound treatment 0.491 -0.0103 -0.32 0.496 -0.0153 -0.45 -0.5478 -0.9862 3614408 BCB03_000709 COc1ccc(CN(C(=O)C2=CC=C(Cl)C2)c3c(C)cccc3Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D07 compound treatment 0.527 0.0257 0.81 0.508 -0.00327 -0.1 0.504 0.6181 3614409 BCB03_000710 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D08 compound treatment 0.519 0.0177 0.56 0.538 0.0267 0.79 0.9547 0.9853 3614410 BCB03_000711 COc1ccc(CN(C(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3)c4c(C)cccc4Cl)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D09 compound treatment 0.475 -0.0263 -0.83 0.493 -0.0183 -0.54 -0.9664 -0.9791 3614411 BCB03_000712 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D10 compound treatment 0.534 0.0327 1.03 0.538 0.0267 0.79 1.2882 0.9916 3614412 BCB03_000713 Cc1cccc(Cl)c1NC(=O)C2=CC=C(C2)Nc3cc(Cl)nc(C)n3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D11 mock treatment 0.481 -0.0203 -0.64 0.499 -0.0123 -0.36 -0.7073 -0.9646 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D12 mock treatment 0.497 -0.00425 -0.13 0.496 -0.0153 -0.45 -0.4144 -0.8785 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D13 compound treatment 0.451 -0.0503 -1.58 0.456 -0.0553 -1.64 -2.2753 -0.9998 3614413 BCB03_000714 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC(=O)c6oc(CC[C@H](CO)NC(=O)N[C@@H](Cc7ccccc7)C(=O)NCc8cn(C[C@H](Cc9ccccc9)NC2=O)nn8)c(C(=O)OC)c6C(=O)OC)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D14 compound treatment 0.527 0.0257 0.81 0.532 0.0207 0.61 1.0069 0.9907 3614414 BCB03_000715 Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(nc(C)n3)N4CCN(CCO)CC4)s2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D15 mock treatment 0.478 -0.0233 -0.73 0.477 -0.0343 -1.02 -1.235 -0.987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D16 mock treatment 0.497 -0.00425 -0.13 0.499 -0.0123 -0.36 -0.3516 -0.9077 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D17 compound treatment 0.517 0.0157 0.5 0.473 -0.0383 -1.13 -0.4517 -0.365 3556423 BCB03_000716 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D18 compound treatment 0.503 0.00175 0.05 0.501 -0.0103 -0.3 -0.1763 -0.5702 3614415 BCB03_000717 COC(=O)C1(CCCC1)C2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)CCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D19 compound treatment 0.476 -0.0253 -0.79 0.479 -0.0323 -0.96 -1.2375 -0.9957 3556419 BCB03_000718 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D20 compound treatment 0.485 -0.0163 -0.51 0.497 -0.0143 -0.42 -0.6603 -0.9956 3614418 BCB03_000719 Cn1c(=O)n2[C@H]3[C@@H]4[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc5ccccc5)N4CC3=C[C@@H](C6CC6)n2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D21 compound treatment 0.408 -0.0933 -2.93 0.415 -0.0963 -2.85 -4.0904 -0.9999 3614420 BCB03_000720 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D22 compound treatment 0.491 -0.0103 -0.32 0.504 -0.00727 -0.22 -0.3802 -0.9808 3614421 BCB03_000721 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CCCC=C[C@H]4[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D23 compound treatment 0.48 -0.0213 -0.67 0.503 -0.00827 -0.24 -0.6457 -0.9073 3614424 BCB03_000722 COC(=O)c1cn(CC(=O)N2CCC3(CC2)N(CNC3=O)c4ccccc4)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 D24 compound treatment 0.551 0.0497 1.56 0.545 0.0337 1.0 1.8129 0.9766 3614425 BCB03_000723 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E01 mock treatment 0.508 0.00675 0.21 0.515 0.00373 0.11 0.2282 0.9539 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E02 mock treatment 0.492 -0.00925 -0.29 0.492 -0.0193 -0.57 -0.6094 -0.9511 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E03 compound treatment 0.528 0.0267 0.84 0.529 0.0177 0.53 0.9663 0.9744 3070935 BCB03_000724 O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E04 compound treatment 0.478 -0.0233 -0.73 0.545 0.0337 1.0 0.1898 0.1533 3563137 BCB03_000725 COc1cc2CCN(C)C(C3CC3)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E05 compound treatment 0.481 -0.0203 -0.64 0.48 -0.0313 -0.93 -1.1054 -0.9833 3070936 BCB03_000726 C/C(=N\O)/C(=O)NCCCCCNC(=O)OCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E06 compound treatment 0.45 -0.0513 -1.61 0.443 -0.0683 -2.02 -2.5699 -0.9937 3563138 BCB03_000727 COCC#CC1N(C)CCc2cc(OC)c(OC)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E07 compound treatment 0.492 -0.00925 -0.29 0.52 0.00873 0.26 -0.0227 -0.0584 3070944 BCB03_000728 O/N=C(\Cc1ccccc1)/C(=O)NCCCCCNC(=O)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E08 compound treatment 0.503 0.00175 0.05 0.501 -0.0103 -0.3 -0.1763 -0.5702 3562035 BCB03_000729 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E09 mock treatment 0.497 -0.00425 -0.13 0.505 -0.00627 -0.19 -0.2259 -0.987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E10 mock treatment 0.501 -2.52E-4 -0.01 0.49 -0.0213 -0.63 -0.4512 -0.716 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E11 compound treatment 0.492 -0.00925 -0.29 0.484 -0.0273 -0.81 -0.777 -0.9048 3188539 BCB03_000730 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E12 compound treatment 0.506 0.00475 0.15 0.53 0.0187 0.56 0.4981 0.8665 3563139 BCB03_000731 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E13 compound treatment 0.514 0.0127 0.4 0.513 0.00173 0.05 0.3197 0.7912 3188540 BCB03_000732 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccccc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E14 compound treatment 0.465 -0.0363 -1.14 0.479 -0.0323 -0.96 -1.4821 -0.9962 3563140 BCB03_000733 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E15 compound treatment 0.51 0.00875 0.28 0.509 -0.00227 -0.07 0.147 0.5191 3188541 BCB03_000734 C[C@@H]1ON([C@@H]([C@H]1C(=O)O)c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E16 compound treatment 0.481 -0.0203 -0.64 0.48 -0.0313 -0.93 -1.1054 -0.9833 3563141 BCB03_000735 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2C4CC4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E17 mock treatment 0.492 -0.00925 -0.29 0.486 -0.0253 -0.75 -0.7351 -0.9152 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E18 mock treatment 0.483 -0.0183 -0.57 0.483 -0.0283 -0.84 -0.9981 -0.983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E19 compound treatment 0.473 -0.0283 -0.89 0.487 -0.0243 -0.72 -1.1366 -0.9945 3070947 BCB03_000736 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E20 compound treatment 0.447 -0.0543 -1.71 0.526 0.0147 0.44 -0.8976 -0.5097 3563142 BCB03_000737 COCC#CC1N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E21 compound treatment 0.472 -0.0293 -0.92 0.485 -0.0263 -0.78 -1.2008 -0.9965 3188544 BCB03_000738 C[C@H]1ON([C@H]([C@@H]1C(=O)N2[C@H](COC2=O)c3ccccc3)c4ccc(O)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E22 compound treatment 0.47 -0.0313 -0.98 0.475 -0.0363 -1.07 -1.4548 -0.999 3563143 BCB03_000739 COc1cc2CCN(C)C(C)(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E23 compound treatment 0.479 -0.0223 -0.7 0.498 -0.0133 -0.39 -0.7727 -0.9628 3188657 BCB03_000740 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5cccc(c5)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 E24 compound treatment 0.535 0.0337 1.06 0.536 0.0247 0.73 1.2686 0.9837 3563144 BCB03_000741 COc1cc2CCN(C)C(C)(C=C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F01 mock treatment 0.509 0.00775 0.24 0.519 0.00773 0.23 0.3343 0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F02 mock treatment 0.508 0.00675 0.21 0.507 -0.00427 -0.13 0.0606 0.2454 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F03 compound treatment 0.49 -0.0113 -0.35 0.487 -0.0243 -0.72 -0.7586 -0.9466 3614432 BCB03_000742 COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F04 compound treatment 0.482 -0.0193 -0.61 0.481 -0.0303 -0.9 -1.0622 -0.9817 3614434 BCB03_000743 COC(=O)[C@H](Cc1ccccc1)N[C@H](/C=C/C2CC2)[C@@H](O)CCN=[N+]=[N-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F05 compound treatment 0.491 -0.0103 -0.32 0.501 -0.0103 -0.3 -0.4431 -0.9996 3614437 BCB03_000744 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)c3ccccc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F06 compound treatment 0.495 -0.00625 -0.2 0.475 -0.0363 -1.07 -0.8989 -0.8228 3614440 BCB03_000745 [N-]=[N+]=NCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(CC#C)[C@@H]1/C=C/C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F07 compound treatment 0.52 0.0187 0.59 0.513 0.00173 0.05 0.4531 0.7658 3614442 BCB03_000746 COC(=O)c1cn(CCCNC(=S)Nc2ccc(cc2)[N+](=O)[O-])nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F08 compound treatment 0.51 0.00875 0.28 0.514 0.00273 0.08 0.2518 0.878 3614443 BCB03_000747 C=C/C=C/[C@H]1[C@@H]2[C@H](CCN=[N+]=[N-])OC(=O)[C@H](Cc3ccccc3)N2CC1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F09 mock treatment 0.491 -0.0103 -0.32 0.501 -0.0103 -0.3 -0.4431 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F10 mock treatment 0.504 0.00275 0.09 0.506 -0.00527 -0.16 -0.0493 -0.2762 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F11 compound treatment 0.489 -0.0123 -0.39 0.507 -0.00427 -0.13 -0.3618 -0.8924 3614446 BCB03_000748 COC(=O)c1cn(CCCNC(=O)Nc2ccccc2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F12 compound treatment 0.495 -0.00625 -0.2 0.496 -0.0153 -0.45 -0.4589 -0.9303 3614447 BCB03_000749 COC(=O)[C@H](Cc1ccccc1)N2C[C@](C)(OC(C)C)O[C@@H](CCN=[N+]=[N-])[C@H]2/C=C/C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F13 compound treatment 0.498 -0.00325 -0.1 0.493 -0.0183 -0.54 -0.4551 -0.8261 3614451 BCB03_000750 COC(=O)c1cn(CCNC(=O)Nc2ccccc2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F14 compound treatment 0.504 0.00275 0.09 0.515 0.00373 0.11 0.1393 0.9925 3614452 BCB03_000751 COC(=O)C1(CCCC1)C2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)CCO)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F15 compound treatment 0.489 -0.0123 -0.39 0.504 -0.00727 -0.22 -0.4247 -0.9622 3614455 BCB03_000752 COC(=O)c1cn(CCCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F16 compound treatment 0.522 0.0207 0.65 0.558 0.0467 1.38 1.4405 0.941 3614458 BCB03_000753 OCC[C@@H]1OC(=O)C2(CCCC2)N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F17 mock treatment 0.484 -0.0173 -0.54 0.542 0.0307 0.91 0.2603 0.2456 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F18 mock treatment 0.496 -0.00525 -0.17 0.508 -0.00327 -0.1 -0.1852 -0.9676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F19 compound treatment 0.484 -0.0173 -0.54 0.508 -0.00327 -0.1 -0.452 -0.8203 3614462 BCB03_000754 COC(=O)c1cn(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c3ccc(C)cc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F20 compound treatment 0.503 0.00175 0.05 0.514 0.00273 0.08 0.0961 0.9822 3563105 BCB03_000755 COC(=O)C1=CN(C)C(C=C)c2ccccc2C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F21 compound treatment 0.489 -0.0123 -0.39 0.501 -0.0103 -0.3 -0.4875 -0.9932 3614464 BCB03_000756 COC(=O)c1cn(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F22 compound treatment 0.506 0.00475 0.15 0.513 0.00173 0.05 0.1419 0.8986 3563108 BCB03_000757 COC(=O)C1=CN(C)C(C2CC2)c3ccccc3C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F23 compound treatment 0.515 0.0137 0.43 0.503 -0.00827 -0.24 0.1324 0.2666 3614467 BCB03_000758 COC(=O)c1cn(C[C@@H]2CCCN2S(=O)(=O)c3ccc(C)cc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 F24 compound treatment 0.522 0.0207 0.65 0.534 0.0227 0.67 0.9376 0.9999 3188926 BCB03_000759 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(nc5)C(F)(F)F)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G01 compound treatment 0.52 0.0187 0.59 0.537 0.0257 0.76 0.956 0.9919 3188658 BCB03_000760 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(Br)cc4)c5ccc(cc5)C(=O)OC(C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G02 compound treatment 0.491 -0.0103 -0.32 0.499 -0.0123 -0.36 -0.485 -0.9982 3563145 BCB03_000761 COCC#CC1(C)N(C)CCc2cc(OC)c(OC)cc21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G03 mock treatment 0.474 -0.0273 -0.86 0.477 -0.0343 -1.02 -1.3239 -0.9964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G04 mock treatment 0.47 -0.0313 -0.98 0.545 0.0337 1.0 0.0119 0.0085 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G05 compound treatment 0.501 -2.52E-4 -0.01 0.492 -0.0193 -0.57 -0.4093 -0.7169 3188659 BCB03_000762 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4cccc(NC(=O)OCC5c6ccccc6-c7ccccc57)c4)c8ccc(I)cc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G06 compound treatment 0.473 -0.0283 -0.89 0.486 -0.0253 -0.75 -1.1576 -0.9964 3563146 BCB03_000763 COc1ccc(C[N+]2=C(C)c3cc(OC)c(OC)cc3CC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G07 compound treatment 0.511 0.00975 0.31 0.548 0.0367 1.09 0.9864 0.8723 3188672 BCB03_000764 C[C@@H]1ON([C@@H]([C@H]1C(=O)N2[C@H](Cc3ccccc3)COC2=O)c4ccc(OC(=O)OC(C)(C)C)cc4)c5ccc(I)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G08 compound treatment 0.501 -2.52E-4 -0.01 0.505 -0.00627 -0.19 -0.1369 -0.7366 3563147 BCB03_000765 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G09 compound treatment 0.497 -0.00425 -0.13 0.505 -0.00627 -0.19 -0.2259 -0.987 3188673 BCB03_000766 COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G10 compound treatment 0.49 -0.0113 -0.35 0.5 -0.0113 -0.33 -0.4863 -0.9996 3563148 BCB03_000767 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G11 compound treatment 0.503 0.00175 0.05 0.524 0.0127 0.38 0.3056 0.8016 3188674 BCB03_000768 CC(C)[C@H]1COC(=O)N1C(=O)[C@@H]2[C@@H](C)ON([C@@H]2c3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G12 compound treatment 0.493 -0.00825 -0.26 0.516 0.00473 0.14 -0.0843 -0.2859 3563149 BCB03_000769 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2(C)C4CC4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G13 compound treatment 0.522 0.0207 0.65 0.518 0.00673 0.2 0.6024 0.883 3188675 BCB03_000770 CC(C)[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)ON([C@@H]1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G14 compound treatment 0.466 -0.0353 -1.11 0.481 -0.0303 -0.9 -1.418 -0.9945 3563150 BCB03_000771 COCC#CC1(C)N(Cc2ccc(OC)cc2)CCc3cc(OC)c(OC)cc31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G15 compound treatment 0.525 0.0237 0.75 0.539 0.0277 0.82 1.1091 0.9989 3071001 BCB03_000772 COC(=O)[C@@H]1N[C@H]2[C@@H](COc3ccccc23)[C@@H]1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G16 compound treatment 0.497 -0.00425 -0.13 0.521 0.00973 0.29 0.1094 0.3441 3563151 BCB03_000773 COc1cc2CC(C)N(C)C(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G17 compound treatment 0.506 0.00475 0.15 0.513 0.00173 0.05 0.1419 0.8986 3071002 BCB03_000774 OCC1CC(=NO1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G18 compound treatment 0.485 -0.0163 -0.51 0.486 -0.0253 -0.75 -0.8908 -0.9827 3563152 BCB03_000775 COc1cc2CC(C)N(C)C(C=C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G19 mock treatment 0.5 -0.00125 -0.04 0.51 -0.00127 -0.04 -0.0544 -0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G20 mock treatment 0.483 -0.0183 -0.57 0.489 -0.0223 -0.66 -0.8724 -0.9976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G21 compound treatment 0.49 -0.0113 -0.35 0.502 -0.00927 -0.27 -0.4444 -0.9922 3071004 BCB03_000776 O[C@H](C=C)[C@H]1CC(=NO1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G22 compound treatment 0.473 -0.0283 -0.89 0.488 -0.0233 -0.69 -1.1157 -0.9921 3563153 BCB03_000777 COc1cc2CC(C)N(C)C(C3CC3)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G23 compound treatment 0.512 0.0107 0.34 0.518 0.00673 0.2 0.38 0.9684 3414065 BCB03_000778 O[C@@H]([C@H]1CC(=NO1)c2ccccc2)[C@@H]3CC(=NO3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 G24 compound treatment 0.507 0.00575 0.18 0.52 0.00873 0.26 0.3108 0.9846 3563154 BCB03_000779 COCC#CC1N(C)C(C)Cc2cc(OC)c(OC)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H01 compound treatment 0.52 0.0187 0.59 0.521 0.00973 0.29 0.6208 0.9459 3614478 BCB03_000780 COC(=O)c1cn(CC(=O)N2CCN(C)CC2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H02 compound treatment 0.529 0.0277 0.87 0.542 0.0307 0.91 1.2609 0.9998 3061928 BCB03_000781 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H03 mock treatment 0.468 -0.0333 -1.05 0.555 0.0437 1.3 0.177 0.1063 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H04 mock treatment 0.498 -0.00325 -0.1 0.56 0.0487 1.44 0.9488 0.6554 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H05 compound treatment 0.493 -0.00825 -0.26 0.554 0.0427 1.27 0.7119 0.5508 3614479 BCB03_000782 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn2cc(nn2)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H06 compound treatment 0.525 0.0237 0.75 0.567 0.0557 1.65 1.6958 0.9356 3614483 BCB03_000783 COCCOc1cc2ncnc(Nc3cccc(C#C)c3)c2cc1OCCOC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H07 compound treatment 0.496 -0.00525 -0.17 0.563 0.0517 1.53 0.9672 0.6273 3614485 BCB03_000784 COC(=O)[C@@H](NC(=O)Cn1cc(nn1)C(=O)OC)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H08 mock treatment 0.493 -0.00825 -0.26 0.589 0.0777 2.3 1.4452 0.6235 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H09 compound treatment 0.518 0.0167 0.53 0.605 0.0937 2.78 2.3363 0.8265 3614488 BCB03_000785 CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn3cc(nn3)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H10 mock treatment 0.494 -0.00725 -0.23 0.581 0.0697 2.07 1.2998 0.6253 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H11 compound treatment 0.511 0.00975 0.31 0.574 0.0627 1.86 1.5311 0.8127 3614492 BCB03_000786 COC(=O)c1cn(nn1)c2cccc(N)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H12 mock treatment 0.491 -0.0103 -0.32 0.611 0.0997 2.96 1.8617 0.6263 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H13 compound treatment 0.516 0.0147 0.46 0.588 0.0767 2.27 1.9357 0.8341 3614494 BCB03_000787 COC(=O)c1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H14 mock treatment 0.521 0.0197 0.62 0.58 0.0687 2.04 1.8792 0.8826 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H15 compound treatment 0.498 -0.00325 -0.1 0.6 0.0887 2.63 1.7869 0.6791 3614495 BCB03_000788 COC(=O)c1cn(CC(=O)N2CCOCC2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H16 mock treatment 0.501 -2.52E-4 -0.01 0.615 0.104 3.07 2.1679 0.7053 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H17 compound treatment 0.489 -0.0123 -0.39 0.603 0.0917 2.72 1.6496 0.6009 3614498 BCB03_000789 COC(=O)c1cn(CC(=O)Nc2ccc(OC)c(OC)c2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H18 mock treatment 0.487 -0.0143 -0.45 0.591 0.0797 2.36 1.3537 0.5629 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H19 mock treatment 0.483 -0.0183 -0.57 0.604 0.0927 2.75 1.5372 0.5476 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H20 mock treatment 0.479 -0.0223 -0.7 0.596 0.0847 2.51 1.2806 0.4913 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H21 compound treatment 0.484 -0.0173 -0.54 0.517 0.00573 0.17 -0.2635 -0.4635 3614499 BCB03_000790 COC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H22 mock treatment 0.483 -0.0183 -0.57 0.523 0.0117 0.35 -0.16 -0.2384 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H23 compound treatment 0.442 -0.0593 -1.86 0.507 -0.00427 -0.13 -1.4068 -0.7534 3614501 BCB03_000791 COC(=O)c1cn(CC(=O)Nc2nccs2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 H24 mock treatment 0.52 0.0187 0.59 0.54 0.0287 0.85 1.0189 0.9839 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I01 compound treatment 0.502 7.48E-4 0.02 0.512 7.33E-4 0.02 0.032 0.9992 3071008 BCB03_000792 CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)C(CCC3=C2CC[C@]4(C)[C@H](CC[C@@]34C)[C@H](C)CCCC(C)C)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I02 compound treatment 0.486 -0.0153 -0.48 0.501 -0.0103 -0.3 -0.5542 -0.9759 3563155 BCB03_000793 COc1ccc(C[N+]2=Cc3cc(OC)c(OC)cc3CC2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I03 compound treatment 0.538 0.0367 1.16 0.522 0.0107 0.32 1.0419 0.8694 3188792 BCB03_000794 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I04 compound treatment 0.49 -0.0113 -0.35 0.491 -0.0203 -0.6 -0.6748 -0.9682 3563156 BCB03_000795 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I05 mock treatment 0.483 -0.0183 -0.57 0.498 -0.0133 -0.39 -0.6838 -0.983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I06 mock treatment 0.482 -0.0193 -0.61 0.495 -0.0163 -0.48 -0.7689 -0.9936 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I07 compound treatment 0.5 -0.00125 -0.04 0.49 -0.0213 -0.63 -0.4735 -0.7498 3188805 BCB03_000796 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I08 compound treatment 0.507 0.00575 0.18 0.52 0.00873 0.26 0.3108 0.9846 3563157 BCB03_000797 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C=C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I09 compound treatment 0.497 -0.00425 -0.13 0.497 -0.0143 -0.42 -0.3935 -0.8874 3188806 BCB03_000798 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I10 compound treatment 0.494 -0.00725 -0.23 0.479 -0.0323 -0.96 -0.8373 -0.8519 3563158 BCB03_000799 COc1ccc(CN2C(C)Cc3cc(OC)c(OC)cc3C2C4CC4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I11 compound treatment 0.504 0.00275 0.09 0.489 -0.0223 -0.66 -0.4055 -0.6093 3188807 BCB03_000800 COc1ccc(cc1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I12 compound treatment 0.507 0.00575 0.18 0.514 0.00273 0.08 0.185 0.9344 3563159 BCB03_000801 COCC#CC1N(Cc2ccc(OC)cc2)C(C)Cc3cc(OC)c(OC)cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I13 compound treatment 0.509 0.00775 0.24 0.489 -0.0223 -0.66 -0.2943 -0.4184 3071124 BCB03_000802 COc1cccc(c1)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4=C3CC[C@]5(C)[C@H](CC[C@@]45C)[C@H](C)CCCC(C)C)C2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I14 compound treatment 0.56 0.0587 1.85 0.577 0.0657 1.95 2.6835 0.9996 3614506 BCB03_000803 CCCCOc1ccc(/C=C/C(=O)NO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I15 compound treatment 0.481 -0.0203 -0.64 0.513 0.00173 0.05 -0.414 -0.648 3188924 BCB03_000804 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(Br)cc5)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I16 compound treatment 0.512 0.0107 0.34 0.521 0.00973 0.29 0.4429 0.9969 3614510 BCB03_000805 ONC(=O)/C=C/c1ccc(OC2CCCCC2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I17 compound treatment 0.487 -0.0143 -0.45 0.513 0.00173 0.05 -0.2806 -0.622 3188925 BCB03_000806 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)c5ccc(N)cc5)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I18 compound treatment 0.515 0.0137 0.43 0.53 0.0187 0.56 0.6982 0.9924 3614513 BCB03_000807 COc1ccc(/C=C/C(=O)NO)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I19 compound treatment 0.495 -0.00625 -0.2 0.487 -0.0243 -0.72 -0.6475 -0.8686 3614517 BCB03_000808 COC(=O)[C@H](Cc1ccccc1)N(CC#C)O[C@@H](/C=C/[C@@H](O)Cc2ccccc2)C3CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I20 compound treatment 0.508 0.00675 0.21 0.519 0.00773 0.23 0.312 0.9993 3614521 BCB03_000809 ONC(=O)/C=C/c1ccc(O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I21 mock treatment 0.478 -0.0233 -0.73 0.514 0.00273 0.08 -0.4597 -0.625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I22 mock treatment 0.474 -0.0273 -0.86 0.495 -0.0163 -0.48 -0.9468 -0.963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I23 compound treatment 0.52 0.0187 0.59 0.517 0.00573 0.17 0.5369 0.8753 3614524 BCB03_000810 COC(=O)[C@H](Cc1ccccc1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 I24 compound treatment 0.548 0.0467 1.47 0.549 0.0377 1.12 1.83 0.9909 3614525 BCB03_000811 ONC(=O)/C=C/c1ccc(OCCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J01 compound treatment 0.522 0.0207 0.65 0.512 7.33E-4 0.02 0.4767 0.7302 3614528 BCB03_000812 COC(=O)c1cn(CC(=O)Nc2ccon2)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J02 mock treatment 0.493 -0.00825 -0.26 0.514 0.00273 0.08 -0.1262 -0.4644 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J03 compound treatment 0.49 -0.0113 -0.35 0.491 -0.0203 -0.6 -0.6748 -0.9682 3614530 BCB03_000813 COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)Nc3ccccc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J04 mock treatment 0.506 0.00475 0.15 0.493 -0.0183 -0.54 -0.2772 -0.4937 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J05 mock treatment 0.485 -0.0163 -0.51 0.489 -0.0223 -0.66 -0.8279 -0.992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J06 mock treatment 0.483 -0.0183 -0.57 0.495 -0.0163 -0.48 -0.7467 -0.9962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J07 compound treatment 0.496 -0.00525 -0.17 0.504 -0.00727 -0.22 -0.269 -0.9914 3614532 BCB03_000814 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCN(CC4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J08 mock treatment 0.497 -0.00425 -0.13 0.527 0.0157 0.47 0.2351 0.4848 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J09 compound treatment 0.483 -0.0183 -0.57 0.485 -0.0263 -0.78 -0.9562 -0.9888 3614534 BCB03_000815 NC(=N)NCc1cn(CC(=O)N2CCN(CC2)c3ccccc3)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J10 mock treatment 0.495 -0.00625 -0.2 0.505 -0.00627 -0.19 -0.2703 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J11 compound treatment 0.504 0.00275 0.09 0.502 -0.00927 -0.27 -0.1331 -0.4623 3614535 BCB03_000816 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCN(CC3)c4ccccc4)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J12 mock treatment 0.505 0.00375 0.12 0.514 0.00273 0.08 0.1406 0.9832 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J13 compound treatment 0.494 -0.00725 -0.23 0.464 -0.0473 -1.4 -1.1516 -0.8115 3614536 BCB03_000817 O=C(Cn1cc(nn1)C2(CCCCC2)NC(=O)Nc3ccccc3)N4CCOCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J14 mock treatment 0.508 0.00675 0.21 0.515 0.00373 0.11 0.2282 0.9539 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J15 compound treatment 0.485 -0.0163 -0.51 0.487 -0.0243 -0.72 -0.8698 -0.986 3614537 BCB03_000818 CC(=O)Nc1ccccc1c2cn(CC(=O)N3CCOCC3)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J16 mock treatment 0.523 0.0217 0.68 0.511 -2.67E-4 -0.01 0.4779 0.6989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J17 compound treatment 0.51 0.00875 0.28 0.506 -0.00527 -0.16 0.0841 0.266 3556424 BCB03_000819 COC(=O)c1c(C(=O)OC)c2oc1CC[C@H](CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J18 mock treatment 0.514 0.0127 0.4 0.51 -0.00127 -0.04 0.2569 0.6381 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J19 compound treatment 0.521 0.0197 0.62 0.514 0.00273 0.08 0.4963 0.7926 3614538 BCB03_000820 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn3cc(nn3)c4ccccc4N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J20 mock treatment 0.514 0.0127 0.4 0.509 -0.00227 -0.07 0.2359 0.5805 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J21 mock treatment 0.485 -0.0163 -0.51 0.514 0.00273 0.08 -0.3041 -0.5877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J22 mock treatment 0.487 -0.0143 -0.45 0.513 0.00173 0.05 -0.2806 -0.622 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J23 compound treatment 0.48 -0.0213 -0.67 0.479 -0.0323 -0.96 -1.1486 -0.9847 3614540 BCB03_000821 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn3cc(nn3)c4ccccc4N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 J24 mock treatment 0.529 0.0277 0.87 0.547 0.0357 1.06 1.3656 0.9954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K01 compound treatment 0.575 0.0737 2.32 0.575 0.0637 1.89 2.9751 0.9948 3614545 BCB03_000822 COC(=O)[C@H](Cc1ccccc1)N2CC3=CC(=O)[C@H](C4CC4)[C@H]3[C@@H]2[C@@H](O)Cc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K02 compound treatment 0.594 0.0927 2.92 0.628 0.117 3.46 4.508 0.9964 3614548 BCB03_000823 COc1ccc(CCCOc2ccc(/C=C/C(=O)NO)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K03 compound treatment 0.537 0.0357 1.12 0.541 0.0297 0.88 1.4178 0.9927 3614553 BCB03_000824 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)[C@@H]3Cc6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K04 compound treatment 0.533 0.0317 1.0 0.525 0.0137 0.41 0.9936 0.9217 3614558 BCB03_000825 ONC(=O)/C=C/c1ccc(OCCc2ccccn2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K05 compound treatment 0.537 0.0357 1.12 0.534 0.0227 0.67 1.2711 0.97 3614560 BCB03_000826 COC(=O)C1(CCCC1)N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K06 compound treatment 0.575 0.0737 2.32 0.581 0.0697 2.07 3.1008 0.9983 3614562 BCB03_000827 ONC(=O)/C=C/c1ccc(OCCNCc2ccccc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K07 mock treatment 0.487 -0.0143 -0.45 0.49 -0.0213 -0.63 -0.7625 -0.986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K08 mock treatment 0.507 0.00575 0.18 0.488 -0.0233 -0.69 -0.3597 -0.5047 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K09 compound treatment 0.496 -0.00525 -0.17 0.509 -0.00227 -0.07 -0.1643 -0.9214 3614565 BCB03_000828 C=C/C=C/[C@H]1[C@@H]2[C@H](Cc3ccccc3)OC(=O)C4(CCCC4)N2CC1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K10 compound treatment 0.516 0.0147 0.46 0.521 0.00973 0.29 0.5318 0.9739 1065487 BCB03_000829 ONC(=O)CCCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K11 compound treatment 0.544 0.0427 1.34 0.528 0.0167 0.5 1.301 0.9081 3614570 BCB03_000830 O=C1O[C@@H](Cc2ccccc2)[C@H]3[C@@H]4C=CCCC=C4CN3C51CCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K12 compound treatment 0.512 0.0107 0.34 0.502 -0.00927 -0.27 0.0448 0.1029 3614573 BCB03_000831 CCCC(CCC)C(=O)NO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K13 compound treatment 0.5 -0.00125 -0.04 0.502 -0.00927 -0.27 -0.222 -0.8003 3614575 BCB03_000832 COC(=O)C1(CCCC1)N2CC3=C[C@@H]([C@@H](O)Cc4ccccc4)n5n([C@@H]3[C@H](O2)C6CC6)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K14 compound treatment 0.489 -0.0123 -0.39 0.514 0.00273 0.08 -0.2152 -0.5465 3614578 BCB03_000833 Oc1ccc2ncnc(NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K15 mock treatment 0.509 0.00775 0.24 0.516 0.00473 0.14 0.2714 0.9656 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K16 mock treatment 0.504 0.00275 0.09 0.503 -0.00827 -0.24 -0.1121 -0.4317 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K17 compound treatment 0.517 0.0157 0.5 0.552 0.0407 1.21 1.2036 0.9226 3614579 BCB03_000834 COC(=O)C1(CCCC1)N2CC3=C[C@@H](C4CC4)n5n([C@H]3[C@@H]2[C@@H](O)Cc6ccccc6)c(=O)n(C)c5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K18 compound treatment 0.503 0.00175 0.05 0.508 -0.00327 -0.1 -0.0296 -0.2659 3614582 BCB03_000835 CCCNc1ncnc2ccc(O)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K19 compound treatment 0.519 0.0177 0.56 0.512 7.33E-4 0.02 0.41 0.7341 3614584 BCB03_000836 COC(=O)C1(CCCC1)N2C[C@](C)(OC)O[C@@H](Cc3ccccc3)[C@H]2/C=C/C4CC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K20 compound treatment 0.507 0.00575 0.18 0.51 -0.00127 -0.04 0.1012 0.5485 2065681 BCB03_000837 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K21 compound treatment 0.52 0.0187 0.59 0.534 0.0227 0.67 0.8931 0.9978 3614590 BCB03_000838 COC(=O)C1(CCCC1)N2CC(=C)[C@@H](/C=C/C=C)[C@@H]2[C@@H](O)Cc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K22 compound treatment 0.508 0.00675 0.21 0.52 0.00873 0.26 0.333 0.9951 3216001 BCB03_000839 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K23 mock treatment 0.504 0.00275 0.09 0.521 0.00973 0.29 0.265 0.8803 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 K24 mock treatment 0.524 0.0227 0.72 0.536 0.0247 0.73 1.024 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L01 compound treatment 0.516 0.0147 0.46 0.517 0.00573 0.17 0.448 0.9072 3614594 BCB03_000840 Nc1ccccc1c2cn(CC(=O)Nc3nccs3)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L02 mock treatment 0.493 -0.00825 -0.26 0.494 -0.0173 -0.51 -0.5453 -0.9505 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L03 compound treatment 0.499 -0.00225 -0.07 0.511 -2.67E-4 -0.01 -0.0557 -0.7813 3614596 BCB03_000841 Nc1ccccc1c2cn(CC(=O)Nc3ccon3)nn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L04 mock treatment 0.501 -2.52E-4 -0.01 0.507 -0.00427 -0.13 -0.095 -0.75 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L05 compound treatment 0.491 -0.0103 -0.32 0.483 -0.0283 -0.84 -0.8202 -0.9139 3556414 BCB03_000842 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L06 mock treatment 0.505 0.00375 0.12 0.51 -0.00127 -0.04 0.0568 0.459 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L07 mock treatment 0.509 0.00775 0.24 0.504 -0.00727 -0.22 0.02 0.0615 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L08 mock treatment 0.499 -0.00225 -0.07 0.509 -0.00227 -0.07 -0.0976 -0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L09 compound treatment 0.53 0.0287 0.9 0.498 -0.0133 -0.39 0.3612 0.3664 3556416 BCB03_000843 COC(=O)c1c(C(=O)OC)c2oc1CC[C@@H](CO)NC(=O)N[C@H](Cc3ccccc3)c4cn(C[C@H](Cc5ccccc5)NC2=O)nn4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L10 mock treatment 0.502 7.48E-4 0.02 0.494 -0.0173 -0.51 -0.3452 -0.6739 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L11 compound treatment 0.515 0.0137 0.43 0.491 -0.0203 -0.6 -0.119 -0.1608 3614599 BCB03_000844 CN1C(=O)[C@@H]2[C@H](C1=O)[C@]34COC[C@@H](N4C(=O)[C@@]2(O3)C(=O)C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L12 mock treatment 0.503 0.00175 0.05 0.499 -0.0123 -0.36 -0.2182 -0.5935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L13 compound treatment 0.487 -0.0143 -0.45 0.504 -0.00727 -0.22 -0.4692 -0.9436 3614605 BCB03_000845 Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2Cn3cc(nn3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L14 mock treatment 0.49 -0.0113 -0.35 0.497 -0.0143 -0.42 -0.5491 -0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L15 mock treatment 0.5 -0.00125 -0.04 0.498 -0.0133 -0.39 -0.3058 -0.7741 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L16 mock treatment 0.515 0.0137 0.43 0.505 -0.00627 -0.19 0.1743 0.3706 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L17 compound treatment 0.507 0.00575 0.18 0.497 -0.0143 -0.42 -0.1711 -0.3722 3614607 BCB03_000846 CN1C(=O)[C@H]2[C@@H](C1=O)[C@@]34COC[C@@H](N4C(=O)[C@]2(O3)C(=O)C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L18 mock treatment 0.5 -0.00125 -0.04 0.508 -0.00327 -0.1 -0.0963 -0.9214 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L19 compound treatment 0.493 -0.00825 -0.26 0.498 -0.0133 -0.39 -0.4615 -0.9797 3614609 BCB03_000847 CC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L20 mock treatment 0.504 0.00275 0.09 0.504 -0.00727 -0.22 -0.0912 -0.393 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L21 compound treatment 0.475 -0.0263 -0.83 0.479 -0.0323 -0.96 -1.2598 -0.9973 3614611 BCB03_000848 CC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L22 mock treatment 0.487 -0.0143 -0.45 0.492 -0.0193 -0.57 -0.7206 -0.9928 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L23 mock treatment 0.49 -0.0113 -0.35 0.497 -0.0143 -0.42 -0.5491 -0.9961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 L24 mock treatment 0.515 0.0137 0.43 0.548 0.0367 1.09 1.0753 0.9182 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M01 compound treatment 0.586 0.0847 2.66 0.59 0.0787 2.33 3.5339 0.9978 3614612 BCB03_000849 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC4=CC(=O)[C@H](C5CC5)[C@H]4[C@@H]3[C@@H](O)Cc6ccccc6)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M02 compound treatment 0.537 0.0357 1.12 0.537 0.0257 0.76 1.334 0.9821 3215997 BCB03_000850 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)N(Cc6ccccc6)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M03 compound treatment 0.501 -2.52E-4 -0.01 0.518 0.00673 0.2 0.1355 0.6784 3614614 BCB03_000851 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3CC(=C)[C@@H](/C=C/C=C)[C@@H]3[C@@H](O)Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M04 compound treatment 0.519 0.0177 0.56 0.514 0.00273 0.08 0.4519 0.8013 3216003 BCB03_000852 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M05 compound treatment 0.54 0.0387 1.22 0.639 0.128 3.78 3.5379 0.8898 3614616 BCB03_000853 O=C1C=C2CN3[C@H]([C@@H]2[C@H]1C4CC4)[C@H](Cc5ccccc5)OC(=O)C63CCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M06 compound treatment 0.505 0.00375 0.12 0.517 0.00573 0.17 0.2034 0.984 3215999 BCB03_000854 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)N(C)C3=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M07 compound treatment 0.505 0.00375 0.12 0.505 -0.00627 -0.19 -0.048 -0.2182 3614620 BCB03_000855 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M08 compound treatment 0.524 0.0227 0.72 0.543 0.0317 0.94 1.1707 0.9909 3215995 BCB03_000856 CN1C(=O)[C@@H]2CC(=C3[C@H](OB(O)C[C@@H]3[C@@H]2C1=O)c4ccccc4)COc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M09 mock treatment 0.52 0.0187 0.59 0.513 0.00173 0.05 0.4531 0.7658 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M10 mock treatment 0.524 0.0227 0.72 0.577 0.0657 1.95 1.883 0.9075 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M11 compound treatment 0.512 0.0107 0.34 0.512 7.33E-4 0.02 0.2543 0.751 3614624 BCB03_000857 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@@H](/C=C/C3CC3)[C@H](O)Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M12 compound treatment 0.506 0.00475 0.15 0.516 0.00473 0.14 0.2047 0.9995 3215892 BCB03_000858 CC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M13 mock treatment 0.512 0.0107 0.34 0.507 -0.00427 -0.13 0.1496 0.4145 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M14 mock treatment 0.507 0.00575 0.18 0.512 7.33E-4 0.02 0.1431 0.7864 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M15 compound treatment 0.539 0.0377 1.19 0.569 0.0577 1.71 2.0489 0.9841 3614627 BCB03_000859 O[C@@H](Cc1ccccc1)[C@H]2O[C@@H](Cc3ccccc3)[C@@H](/C=C/C4CC4)N2CC#C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M16 compound treatment 0.535 0.0337 1.06 0.535 0.0237 0.7 1.2476 0.98 3215890 BCB03_000860 COCC1=C2[C@H](OB(O)C[C@@H]2n3n(C1)c(=O)n(c4ccccc4)c3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M17 compound treatment 0.509 0.00775 0.24 0.538 0.0267 0.79 0.7324 0.8837 3562141 BCB03_000861 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N(CC#C)[C@H](/C=C/C3CC3)[C@@H](O)Cc4ccccc4)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M18 compound treatment 0.538 0.0367 1.16 0.596 0.0847 2.51 2.5924 0.938 3215888 BCB03_000862 OB1C[C@H]2C(=C(COc3ccccc3)Cn4n2c(=O)n(c5ccccc5)c4=O)[C@H](O1)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M19 compound treatment 0.508 0.00675 0.21 0.52 0.00873 0.26 0.333 0.9951 3614632 BCB03_000863 O=C1O[C@H](C2CCCCC2)[C@H](/C=C/C3CC3)N(CC#C)C1Cc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M20 compound treatment 0.533 0.0317 1.0 0.543 0.0317 0.94 1.3708 0.9996 3215943 BCB03_000864 CC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M21 compound treatment 0.536 0.0347 1.09 0.511 -2.67E-4 -0.01 0.767 0.702 3614636 BCB03_000865 O=C1O[C@@H]([C@@H]2[C@H]3C=CCCC=C3CN2C1Cc4ccccc4)C5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M22 compound treatment 0.537 0.0357 1.12 0.559 0.0477 1.41 1.7949 0.9935 3215941 BCB03_000866 COCC1=C2[C@H](OB(O)C[C@@H]2[C@H]3[C@@H](C1)C(=O)c4ccccc4C3=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M23 compound treatment 0.521 0.0197 0.62 0.536 0.0247 0.73 0.9573 0.9966 3614641 BCB03_000867 COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3[C@H](/C=C/C4CC4)[C@H](Cc5ccccc5)OC3=O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 M24 compound treatment 0.561 0.0597 1.88 0.57 0.0587 1.74 2.559 0.9993 3215939 BCB03_000868 OB1C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)c4ccccc4)COc5ccccc5)C(=O)c6ccccc6C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N01 compound treatment 0.526 0.0247 0.78 0.518 0.00673 0.2 0.6913 0.8606 3614646 BCB03_000869 C=CCOC(=O)[C@@]1(O[C@@]23COC[C@@H](N3C1=O)c4ccccc4)[C@H]5[C@@H]2C(=O)N(C5=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N02 mock treatment 0.493 -0.00825 -0.26 0.491 -0.0203 -0.6 -0.6081 -0.9296 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N03 compound treatment 0.512 0.0107 0.34 0.511 -2.67E-4 -0.01 0.2334 0.6903 3614650 BCB03_000870 C=CCOC(=O)[C@]1(O[C@]23COC[C@@H](N3C1=O)c4ccccc4)[C@@H]5[C@H]2C(=O)N(C5=O)c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N04 mock treatment 0.483 -0.0183 -0.57 0.493 -0.0183 -0.54 -0.7886 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N05 compound treatment 0.501 -2.52E-4 -0.01 0.515 0.00373 0.11 0.0726 0.6547 3614652 BCB03_000871 O=C(NCc1ccccc1)[C@@]2(O[C@@]34COC[C@@H](N4C2=O)c5ccccc5)[C@H]6[C@@H]3C(=O)N(C6=O)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N06 mock treatment 0.502 7.48E-4 0.02 0.496 -0.0153 -0.45 -0.3033 -0.6695 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N07 compound treatment 0.507 0.00575 0.18 0.521 0.00973 0.29 0.3317 0.9747 3614656 BCB03_000872 O=C(NCCc1c[nH]c2ccccc12)[C@@]3(O[C@@]45COC[C@@H](N5C3=O)c6ccccc6)[C@H]7[C@@H]4C(=O)N(C7=O)c8ccccc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N08 mock treatment 0.486 -0.0153 -0.48 0.491 -0.0203 -0.6 -0.7638 -0.9938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N09 mock treatment 0.488 -0.0133 -0.42 0.495 -0.0163 -0.48 -0.6355 -0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N10 mock treatment 0.509 0.00775 0.24 0.513 0.00173 0.05 0.2086 0.8377 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N11 compound treatment 0.511 0.00975 0.31 0.514 0.00273 0.08 0.274 0.8643 3614660 BCB03_000873 COC(=O)c1c(COC[C@@H](NC(=O)N(C)Cc2ccccc2)c3ccccc3)oc(C(=O)OCC=C)c1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N12 mock treatment 0.496 -0.00525 -0.17 0.518 0.00673 0.2 0.0243 0.0938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N13 mock treatment 0.52 0.0187 0.59 0.492 -0.0193 -0.57 0.0131 0.016 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N14 mock treatment 0.509 0.00775 0.24 0.505 -0.00627 -0.19 0.0409 0.1337 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N15 compound treatment 0.455 -0.0463 -1.45 0.502 -0.00927 -0.27 -1.2225 -0.826 3614664 BCB03_000874 COc1cc(/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc3ccc(cc3C(F)(F)F)C(F)(F)F 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N16 mock treatment 0.502 7.48E-4 0.02 0.516 0.00473 0.14 0.1158 0.8143 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N17 compound treatment 0.505 0.00375 0.12 0.504 -0.00727 -0.22 -0.0689 -0.2809 1917883 BCB03_000875 O/N=C/1\C2(CCCCC2)C(=O)N(O)C31CCCC=C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N18 mock treatment 0.515 0.0137 0.43 0.522 0.0107 0.32 0.5305 0.9886 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N19 compound treatment 0.526 0.0247 0.78 0.526 0.0147 0.44 0.8589 0.9627 3614668 BCB03_000876 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)c9cc%10ccccc%10s9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N20 mock treatment 0.493 -0.00825 -0.26 0.516 0.00473 0.14 -0.0843 -0.2859 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N21 compound treatment 0.515 0.0137 0.43 0.561 0.0497 1.47 1.3477 0.8776 3614669 BCB03_000877 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)n7c(=O)[nH]c8ccccc78)C(=C5)C(=O)C9CCCCC9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N22 mock treatment 0.496 -0.00525 -0.17 0.513 0.00173 0.05 -0.0805 -0.4653 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N23 compound treatment 0.515 0.0137 0.43 0.521 0.00973 0.29 0.5096 0.9806 3614671 BCB03_000878 C[C@@]12CCC3[C@@]4(C)CC[C@H](O)CC54C=CC3(C2CC[C@@]1(O)CN6CCC(CC6)C(=O)N)C(=C5)C(=O)c7ccc(F)c(F)c7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 N24 mock treatment 0.565 0.0637 2.0 0.595 0.0837 2.48 3.1718 0.9944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O01 compound treatment 0.553 0.0517 1.63 0.547 0.0357 1.06 1.8992 0.9783 3614673 BCB03_000879 COC(=O)[C@H](Cc1ccccc1)N2[C@@H](/C=C/C3CC3)[C@@H](Cc4ccccc4)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O02 compound treatment 0.519 0.0177 0.56 0.516 0.00473 0.14 0.4938 0.8581 2065712 BCB03_000880 CC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O03 compound treatment 0.506 0.00475 0.15 0.493 -0.0183 -0.54 -0.2772 -0.4937 3614677 BCB03_000881 COC(=O)C1(CCCC1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O04 compound treatment 0.513 0.0117 0.37 0.517 0.00573 0.17 0.3813 0.9379 3215981 BCB03_000882 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(Cc4ccccc4)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O05 compound treatment 0.512 0.0107 0.34 0.551 0.0397 1.18 1.0715 0.8748 3614680 BCB03_000883 COC(=O)[C@H](Cc1ccccc1)N2[C@H](/C=C/C3CC3)[C@H](Cc4ccccc4)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O06 compound treatment 0.519 0.0177 0.56 0.528 0.0167 0.5 0.7452 0.9983 3215977 BCB03_000884 OC[C@@H]1[C@H]2[C@@H](CC(=C1[C@H](O)c3ccccc3)COc4ccccc4)C(=O)N(Cc5ccccc5)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O07 compound treatment 0.514 0.0127 0.4 0.525 0.0137 0.41 0.5712 1.0 3563099 BCB03_000885 COC(=O)C1=CN(C)C(C)c2ccccc2C=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O08 compound treatment 0.534 0.0327 1.03 0.541 0.0297 0.88 1.3511 0.997 2065737 BCB03_000886 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O09 compound treatment 0.542 0.0407 1.28 0.538 0.0267 0.79 1.4661 0.9733 3563100 BCB03_000887 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@H](C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O10 compound treatment 0.534 0.0327 1.03 0.528 0.0167 0.5 1.0787 0.9439 3215979 BCB03_000888 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@H]3[C@@H](C1)C(=O)N(C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O11 mock treatment 0.525 0.0237 0.75 0.537 0.0257 0.76 1.0672 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O12 mock treatment 0.525 0.0237 0.75 0.525 0.0137 0.41 0.8157 0.9593 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O13 compound treatment 0.525 0.0237 0.75 0.512 7.33E-4 0.02 0.5434 0.7274 3563102 BCB03_000889 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C)c3ccccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O14 compound treatment 0.526 0.0247 0.78 0.534 0.0227 0.67 1.0265 0.9974 3215975 BCB03_000890 CN1C(=O)[C@@H]2CC(=C([C@H](O)c3ccccc3)[C@H](CO)[C@@H]2C1=O)COc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O15 compound treatment 0.534 0.0327 1.03 0.528 0.0167 0.5 1.0787 0.9439 3563103 BCB03_000891 CC1N(C)/C(=N\P(=O)(Oc2ccccc2)Oc3ccccc3)/Cc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O16 compound treatment 0.515 0.0137 0.43 0.519 0.00773 0.23 0.4677 0.9559 3215878 BCB03_000892 CC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O17 compound treatment 0.521 0.0197 0.62 0.508 -0.00327 -0.1 0.3706 0.5897 3563106 BCB03_000893 CN/1C(C=C)c2ccccc2C\C1=N\P(=O)(Oc3ccccc3)Oc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O18 compound treatment 0.537 0.0357 1.12 0.533 0.0217 0.64 1.2502 0.9651 3215876 BCB03_000894 COCC1=C([C@H](O)c2ccccc2)[C@H](CO)n3n(C1)c(=O)n(c4ccccc4)c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O19 compound treatment 0.509 0.00775 0.24 0.526 0.0147 0.44 0.4809 0.962 3563109 BCB03_000895 CCOC(=O)C1=C2[C@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O20 compound treatment 0.51 0.00875 0.28 0.532 0.0207 0.61 0.6289 0.9343 3215874 BCB03_000896 OC[C@H]1C(=C(COc2ccccc2)Cn3n1c(=O)n(c4ccccc4)c3=O)[C@H](O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O21 compound treatment 0.522 0.0207 0.65 0.568 0.0567 1.68 1.65 0.915 3563111 BCB03_000897 CCOC(=O)C1=C2[C@@H](ON1)N(C)[C@@H](C3CC3)c4ccccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O22 compound treatment 0.529 0.0277 0.87 0.531 0.0197 0.58 1.0304 0.9811 3216007 BCB03_000898 C[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O23 compound treatment 0.527 0.0257 0.81 0.518 0.00673 0.2 0.7135 0.8558 3563112 BCB03_000899 CN/1C(C2CC2)c3ccccc3C\C1=N\P(=O)(Oc4ccccc4)Oc5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 O24 compound treatment 0.539 0.0377 1.19 0.552 0.0407 1.21 1.6927 1.0 3216011 BCB03_000900 COC[C@]1(C[C@@H]2[C@H]([C@H]/3CO1)C(=O)N(Cc4ccccc4)C2=O)\C3=C\c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P01 compound treatment 0.568 0.0667 2.1 0.594 0.0827 2.45 3.2175 0.997 3614688 BCB03_000901 COc1ccc(cc1OC2CCCC2)C3=NOC(C3)C(=O)NO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P02 mock treatment 0.542 0.0407 1.28 0.516 0.00473 0.14 1.0051 0.7798 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P03 compound treatment 0.574 0.0727 2.29 0.557 0.0457 1.36 2.5757 0.9688 3614690 BCB03_000902 CC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P04 mock treatment 0.572 0.0707 2.22 0.564 0.0527 1.56 2.6779 0.9851 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P05 compound treatment 0.549 0.0477 1.5 0.53 0.0187 0.56 1.4541 0.9084 3614693 BCB03_000903 COC(=O)c1cn(CC(=O)O)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P06 mock treatment 0.55 0.0487 1.53 0.526 0.0147 0.44 1.3925 0.8737 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P07 compound treatment 0.527 0.0257 0.81 0.53 0.0187 0.56 0.965 0.983 3614695 BCB03_000904 COC(=O)c1cn(CCC(=O)O)nn1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P08 mock treatment 0.546 0.0447 1.41 0.557 0.0457 1.36 1.9531 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P09 compound treatment 0.533 0.0317 1.0 0.53 0.0187 0.56 1.0984 0.9616 1366116 BCB03_000905 Brc1ccc2ncnc(NCC=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P10 mock treatment 0.544 0.0427 1.34 0.565 0.0537 1.59 2.0763 0.9965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P11 mock treatment 0.52 0.0187 0.59 0.538 0.0267 0.79 0.977 0.9894 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P12 mock treatment 0.516 0.0147 0.46 0.551 0.0397 1.18 1.1604 0.917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P13 compound treatment 0.513 0.0117 0.37 0.508 -0.00327 -0.1 0.1927 0.5047 1263689 BCB03_000906 Brc1ccc2ncnc(NCc3ccccc3)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P14 mock treatment 0.552 0.0507 1.6 0.554 0.0427 1.27 2.0237 0.9934 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P15 compound treatment 0.534 0.0327 1.03 0.518 0.00673 0.2 0.8692 0.8287 1385097 BCB03_000907 CCCNc1ncnc2ccc(Br)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P16 mock treatment 0.546 0.0447 1.41 0.549 0.0377 1.12 1.7855 0.9935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P17 compound treatment 0.509 0.00775 0.24 0.523 0.0117 0.35 0.4181 0.9849 3614697 BCB03_000908 CC(C)(C)OC(=O)NCCOCCOCCNc1ncnc2ccc(Br)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P18 mock treatment 0.57 0.0687 2.16 0.544 0.0327 0.97 2.2144 0.9346 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P19 compound treatment 0.537 0.0357 1.12 0.538 0.0267 0.79 1.3549 0.9853 3614698 BCB03_000909 CCOc1ncnc2ccc(Br)cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P20 mock treatment 0.561 0.0597 1.88 0.548 0.0367 1.09 2.0981 0.9663 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P21 compound treatment 0.493 -0.00825 -0.26 0.513 0.00173 0.05 -0.1472 -0.5564 1985613 BCB03_000910 C=CCNc1ncnc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P22 mock treatment 0.527 0.0257 0.81 0.537 0.0257 0.76 1.1116 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P23 compound treatment 0.471 -0.0303 -0.95 0.486 -0.0253 -0.75 -1.202 -0.993 1412880 BCB03_000911 C(Nc1ncnc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2283 P24 mock treatment 0.571 0.0697 2.19 0.587 0.0757 2.24 3.1376 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A01 compound treatment 0.461 0.0315 0.99 0.343 0.00519 0.15 0.8091 0.8072 3585194 YTC2.1-F_000001 Nc1ccc2c(=O)c3ccc(N)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A02 compound treatment 0.437 0.0075 0.24 0.344 0.00619 0.18 0.2964 0.9923 3585196 YTC2.1-F_000002 CCCCN(CCCC)c1ccc2c(=O)c3ccc(N)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A03 compound treatment 0.418 -0.0115 -0.36 0.331 -0.00681 -0.2 -0.3984 -0.9621 3573895 YTC2.1-F_000003 Nc1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A04 compound treatment 0.404 -0.0255 -0.8 0.342 0.00419 0.12 -0.4792 -0.5906 3584857 YTC2.1-F_000004 Nc1ccc2c(c3ccc(O)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A05 compound treatment 0.43 5.0E-4 0.02 0.351 0.0132 0.39 0.2874 0.735 3573899 YTC2.1-F_000005 Nc1ccc2c(c3ccc(F)c(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A06 compound treatment 0.418 -0.0115 -0.36 0.347 0.00919 0.27 -0.0632 -0.1396 3584859 YTC2.1-F_000006 COc1ccc(cc1F)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A07 compound treatment 0.418 -0.0115 -0.36 0.341 0.00319 0.09 -0.1889 -0.5055 3573903 YTC2.1-F_000007 Nc1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A08 compound treatment 0.419 -0.0105 -0.33 0.339 0.00119 0.04 -0.2086 -0.6282 3584861 YTC2.1-F_000008 CN(C)c1ccc2c(c3ccc(C)cc3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A09 compound treatment 0.414 -0.0155 -0.49 0.344 0.00619 0.18 -0.215 -0.4129 3573907 YTC2.1-F_000009 CN(C)c1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A10 compound treatment 0.437 0.0075 0.24 0.457 0.119 3.53 2.6641 0.7526 3584864 YTC2.1-F_000010 CCNc1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A11 compound treatment 0.419 -0.0105 -0.33 0.391 0.0532 1.58 0.881 0.5471 3573911 YTC2.1-F_000011 COc1ccc2cc(ccc2c1)c3c4ccc(cc4oc5cc(=N)ccc35)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A12 compound treatment 0.411 -0.0185 -0.58 0.458 0.12 3.56 2.1069 0.5839 3584866 YTC2.1-F_000012 CCNc1ccc2c(c3cccc(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A13 compound treatment 0.427 -0.0025 -0.08 0.48 0.142 4.21 2.9236 0.6938 3573915 YTC2.1-F_000013 CN(C)c1ccc2c(c3ccc(CN4CCC5(CC4)OCCO5)cc3)c6ccc(=N)cc6oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A14 compound treatment 0.424 -0.0055 -0.17 0.491 0.153 4.54 3.0874 0.6797 3584868 YTC2.1-F_000014 Nc1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A15 compound treatment 0.426 -0.0035 -0.11 0.451 0.113 3.35 2.2938 0.6835 3573919 YTC2.1-F_000015 CN(C)c1ccc2c(c3ccc(CN4CCCC4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A16 compound treatment 0.438 0.0085 0.27 0.463 0.125 3.71 2.812 0.7561 3584870 YTC2.1-F_000016 Nc1ccc2c(c3cc4ccccc4c5ccccc35)c6ccc(=N)cc6sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A17 compound treatment 0.504 0.0745 2.34 0.478 0.14 4.15 4.5937 0.9633 3573923 YTC2.1-F_000017 COc1ccc2cc(ccc2c1)c3c4ccc(cc4oc5cc(=N)ccc35)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A18 compound treatment 0.401 -0.0285 -0.9 0.419 0.0812 2.41 1.0674 0.4158 3584872 YTC2.1-F_000018 Nc1ccc2c(c3ccc(C=O)cc3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A19 compound treatment 0.401 -0.0285 -0.9 0.513 0.175 5.19 3.037 0.5765 3573927 YTC2.1-F_000019 N=c1ccc2c(c3ccc(CN4CCC5(CC4)OCCO5)cc3)c6ccc(cc6oc2c1)N7CCCCC7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A20 compound treatment 0.448 0.0185 0.58 0.468 0.13 3.86 3.1391 0.8046 3584874 YTC2.1-F_000020 COc1ccc(cc1)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A21 compound treatment 0.403 -0.0265 -0.83 0.327 -0.0108 -0.32 -0.8157 -0.9138 3573931 YTC2.1-F_000021 CSc1ccc(cc1)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A22 compound treatment 0.417 -0.0125 -0.39 0.342 0.00419 0.12 -0.1902 -0.4614 3584876 YTC2.1-F_000022 CC1=CC(C)(C)Nc2ccc3c(c4ccc5OCOc5c4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A23 mock treatment 0.413 -0.0165 -0.52 0.289 -0.0488 -1.45 -1.3896 -0.9043 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 A24 compound treatment 0.423 -0.0065 -0.2 0.3 -0.0378 -1.12 -0.9368 -0.8225 3585228 YTC2.1-F_000023 COc1ccc2cc(ccc2c1)c3c4ccc(=N)cc4oc5c6C(=CC(C)(C)Nc6ccc35)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B01 compound treatment 0.525 0.0955 3.0 0.315 -0.0228 -0.68 1.6454 0.5346 3585199 YTC2.1-F_000024 Cc1cc(C)cc(c1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B02 compound treatment 0.438 0.0085 0.27 0.358 0.0202 0.6 0.612 0.934 3585201 YTC2.1-F_000025 CCN(CC)c1ccc2c(c3ccc(cc3)C(C)(C)C)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B03 compound treatment 0.429 -5.0E-4 -0.02 0.355 0.0172 0.51 0.349 0.685 3585025 YTC2.1-F_000026 Nc1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=O)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B04 compound treatment 0.404 -0.0255 -0.8 0.325 -0.0128 -0.38 -0.8354 -0.9417 3585855 YTC2.1-F_000027 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B05 compound treatment 0.469 0.0395 1.24 0.383 0.0452 1.34 1.825 0.9993 3585027 YTC2.1-F_000028 CCCCN(CCCC)c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B06 compound treatment 0.386 -0.0435 -1.37 0.332 -0.00581 -0.17 -1.089 -0.7899 3585857 YTC2.1-F_000029 COc1ccc2cc(ccc2c1)C(=C3C=CC(=N)C=C3)c4ccc(N)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B07 compound treatment 0.447 0.0175 0.55 0.379 0.0412 1.22 1.2521 0.9353 3585029 YTC2.1-F_000030 CCCCN(CCCC)c1ccc2c(c3cccc(OC)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B08 compound treatment 0.404 -0.0255 -0.8 0.334 -0.00381 -0.11 -0.6468 -0.7988 3585859 YTC2.1-F_000031 COc1c(C)cc(cc1C)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B09 compound treatment 0.459 0.0295 0.93 0.374 0.0362 1.07 1.4141 0.9974 3585031 YTC2.1-F_000032 CCCCN(CCCC)c1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B10 compound treatment 0.447 0.0175 0.55 0.362 0.0242 0.72 0.8959 0.9915 3585861 YTC2.1-F_000033 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B11 compound treatment 0.463 0.0335 1.05 0.393 0.0552 1.64 1.9012 0.9774 3585033 YTC2.1-F_000034 CN1c2ccc3c(c4ccc(cc4)c5ccccc5)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B12 compound treatment 0.447 0.0175 0.55 0.39 0.0522 1.55 1.4826 0.9032 3585864 YTC2.1-F_000035 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B13 compound treatment 0.444 0.0145 0.46 0.397 0.0592 1.75 1.5625 0.8623 3585036 YTC2.1-F_000036 CN1c2ccc3c(c4ccc5OCOc5c4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B14 compound treatment 0.43 5.0E-4 0.02 0.391 0.0532 1.58 1.1255 0.7141 3585865 YTC2.1-F_000037 N=C1C=CC(=C(c2ccc(Oc3ccccc3)cc2)c4ccc(cc4)N5CCCC5)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B15 compound treatment 0.432 0.0025 0.08 0.361 0.0232 0.69 0.5414 0.7829 3585038 YTC2.1-F_000038 CN1c2ccc3c(c4cccc(CN5CCCCC5)c4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B16 compound treatment 0.419 -0.0105 -0.33 0.356 0.0182 0.54 0.1476 0.2336 3585868 YTC2.1-F_000039 N=C1C=CC(=C(c2ccc(cc2)N3CCCC3)c4ccc5OCOc5c4)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B17 compound treatment 0.406 -0.0235 -0.74 0.383 0.0452 1.34 0.4243 0.2774 3585040 YTC2.1-F_000040 CCN(CCCN(C)C)c1ccc2c(c3ccc(OC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B18 compound treatment 0.403 -0.0265 -0.83 0.377 0.0392 1.16 0.2319 0.1622 3585870 YTC2.1-F_000041 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc(F)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B19 compound treatment 0.383 -0.0465 -1.46 0.408 0.0702 2.08 0.4367 0.1718 3585042 YTC2.1-F_000042 CCN(CCCN(C)C)c1ccc2c(c3ccccc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B20 compound treatment 0.439 0.0095 0.3 0.427 0.0892 2.64 2.0799 0.7821 3585874 YTC2.1-F_000043 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B21 compound treatment 0.478 0.0485 1.53 0.367 0.0292 0.86 1.6899 0.9639 3585044 YTC2.1-F_000044 CCCc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N(CC)CCCN(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B22 compound treatment 0.432 0.0025 0.08 0.291 -0.0468 -1.39 -0.9253 -0.666 3585878 YTC2.1-F_000045 CCCc1ccc(cc1)/C(=c/2\ccc3=CC(=N)C=Cc3c2)/c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B23 mock treatment 0.377 -0.0525 -1.65 0.32 -0.0178 -0.53 -1.5405 -0.8889 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 B24 compound treatment 0.428 -0.0015 -0.05 0.305 -0.0328 -0.97 -0.7209 -0.7405 3585282 YTC2.1-F_000046 Nc1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C01 compound treatment 0.459 0.0295 0.93 0.332 -0.00581 -0.17 0.5341 0.5661 3585205 YTC2.1-F_000047 CN(C)c1ccc2c(=O)c3ccc(N)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C02 compound treatment 0.47 0.0405 1.27 0.383 0.0452 1.34 1.8473 0.9997 3585207 YTC2.1-F_000048 CN1c2ccc3c(=O)c4ccc(N)cc4n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C03 compound treatment 0.394 -0.0355 -1.12 0.352 0.0142 0.42 -0.492 -0.4125 3573976 YTC2.1-F_000049 CN(C)c1ccc(cc1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C04 compound treatment 0.423 -0.0065 -0.2 0.369 0.0312 0.92 0.5089 0.5377 3584879 YTC2.1-F_000050 COc1ccc(cc1OC)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C05 compound treatment 0.402 -0.0275 -0.86 0.346 0.00819 0.24 -0.4399 -0.4898 3573980 YTC2.1-F_000051 Nc1ccc2c(c3cc4ccccc4c5ccccc35)c6ccc(=N)cc6oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C06 compound treatment 0.471 0.0415 1.3 0.386 0.0482 1.43 1.9324 0.999 3584880 YTC2.1-F_000052 CCCc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C07 compound treatment 0.404 -0.0255 -0.8 0.362 0.0242 0.72 -0.0602 -0.056 3573984 YTC2.1-F_000053 Nc1ccc2c(c3cccc(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C08 compound treatment 0.396 -0.0335 -1.05 0.308 -0.0298 -0.88 -1.3695 -0.9962 3584883 YTC2.1-F_000054 COc1ccc(cc1OC)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C09 compound treatment 0.406 -0.0235 -0.74 0.363 0.0252 0.75 0.0052 0.005 3573988 YTC2.1-F_000055 COc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C10 compound treatment 0.396 -0.0335 -1.05 0.348 0.0102 0.3 -0.5314 -0.4849 3584884 YTC2.1-F_000056 CCNc1ccc2c(c3ccc(SC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C11 compound treatment 0.373 -0.0565 -1.78 0.385 0.0472 1.4 -0.2675 -0.1183 3573992 YTC2.1-F_000057 CN(C)c1ccc2c(c3ccccc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C12 compound treatment 0.408 -0.0215 -0.68 0.406 0.0682 2.02 0.9507 0.4462 3584887 YTC2.1-F_000058 CCNc1ccc2c(c3ccc(C=O)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C13 compound treatment 0.386 -0.0435 -1.37 0.525 0.187 5.55 2.9549 0.5172 3573996 YTC2.1-F_000059 CN(C)c1ccc2c(c3ccc(C)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C14 compound treatment 0.403 -0.0265 -0.83 0.405 0.0672 1.99 0.8186 0.3793 3584889 YTC2.1-F_000060 CN(C)c1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C15 compound treatment 0.373 -0.0565 -1.78 0.357 0.0192 0.57 -0.8542 -0.4579 3574000 YTC2.1-F_000061 Fc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C16 compound treatment 0.427 -0.0025 -0.08 0.389 0.0512 1.52 1.0169 0.6696 3584891 YTC2.1-F_000062 COc1ccc2cc(ccc2c1)c3c4ccc(N)cc4sc5cc(=N)ccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C17 compound treatment 0.416 -0.0135 -0.42 0.405 0.0672 1.99 1.1076 0.5441 3574004 YTC2.1-F_000063 N=c1ccc2c(c3ccccc3)c4ccc(cc4oc2c1)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C18 compound treatment 0.395 -0.0345 -1.08 0.414 0.0762 2.26 0.8293 0.3311 3584893 YTC2.1-F_000064 Nc1ccc2c(c3ccc(CN4CCC5(CC4)OCCO5)cc3)c6ccc(=N)cc6sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C19 compound treatment 0.437 0.0075 0.24 0.462 0.124 3.68 2.7688 0.7509 3574009 YTC2.1-F_000065 Cc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C20 compound treatment 0.441 0.0115 0.36 0.417 0.0792 2.35 1.9149 0.8066 3584895 YTC2.1-F_000066 CC1=CC(C)(C)Nc2ccc3c(c4ccc(Oc5ccccc5)cc4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C21 compound treatment 0.454 0.0245 0.77 0.412 0.0742 2.2 2.0992 0.9012 3574013 YTC2.1-F_000067 CN(C)c1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C22 compound treatment 0.403 -0.0265 -0.83 0.275 -0.0628 -1.86 -1.9053 -0.9343 3584897 YTC2.1-F_000068 CC1=CC(C)(C)Nc2ccc3c(c4cccc(F)c4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C23 mock treatment 0.402 -0.0275 -0.86 0.268 -0.0698 -2.07 -2.0742 -0.9251 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 C24 compound treatment 0.437 0.0075 0.24 0.292 -0.0458 -1.36 -0.7931 -0.5756 3585241 YTC2.1-F_000069 CCCc1ccc(cc1)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D01 compound treatment 0.441 0.0115 0.36 0.353 0.0152 0.45 0.5739 0.9941 3585209 YTC2.1-F_000070 COc1cccc(c1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D02 compound treatment 0.472 0.0425 1.34 0.359 0.0212 0.63 1.3889 0.9407 3585211 YTC2.1-F_000071 CCN(CC)c1ccc2c(c3ccccc3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D03 compound treatment 0.431 0.0015 0.05 0.381 0.0432 1.28 0.9382 0.7327 3585046 YTC2.1-F_000072 COc1ccc2cc(ccc2c1)c3c4ccc(N)cc4oc5cc(=O)ccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D04 compound treatment 0.403 -0.0265 -0.83 0.336 -0.00181 -0.05 -0.6272 -0.7511 3585882 YTC2.1-F_000073 COc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D05 compound treatment 0.455 0.0255 0.8 0.359 0.0212 0.63 1.0109 0.9927 3585048 YTC2.1-F_000074 CCCCN(CCCC)c1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D06 compound treatment 0.424 -0.0055 -0.17 0.332 -0.00581 -0.17 -0.2441 -1.0 2122101 YTC2.1-F_000075 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D07 compound treatment 0.483 0.0535 1.68 0.39 0.0522 1.55 2.283 0.9991 3585050 YTC2.1-F_000076 CCCCN(CCCC)c1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D08 compound treatment 0.42 -0.0095 -0.3 0.382 0.0442 1.31 0.7146 0.5321 3585885 YTC2.1-F_000077 Cc1cc(ccc1F)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D09 compound treatment 0.474 0.0445 1.4 0.443 0.105 3.12 3.1934 0.9347 3585052 YTC2.1-F_000078 CCCCN(CCCC)c1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D10 compound treatment 0.459 0.0295 0.93 0.416 0.0782 2.32 2.2941 0.9193 3585887 YTC2.1-F_000079 CSc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D11 compound treatment 0.459 0.0295 0.93 0.389 0.0512 1.52 1.7284 0.9722 3585054 YTC2.1-F_000080 CN1c2ccc3c(c4ccc(F)c(Cl)c4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D12 compound treatment 0.458 0.0285 0.9 0.37 0.0322 0.95 1.3081 0.9995 3585889 YTC2.1-F_000081 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(C)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D13 compound treatment 0.451 0.0215 0.68 0.494 0.156 4.63 3.7506 0.8019 3585056 YTC2.1-F_000082 CN1c2ccc3c(c4cccc(F)c4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D14 compound treatment 0.456 0.0265 0.83 0.451 0.113 3.35 2.9608 0.8567 3585891 YTC2.1-F_000083 N=C1C=CC(=C(c2ccc(cc2)N3CCCC3)c4ccc5ccccc5c4)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D15 compound treatment 0.456 0.0265 0.83 0.383 0.0452 1.34 1.536 0.974 3585058 YTC2.1-F_000084 CN1c2ccc3c(c4ccc(CN5CCCCC5)cc4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D16 compound treatment 0.485 0.0555 1.75 0.491 0.153 4.54 4.4437 0.9138 3585893 YTC2.1-F_000085 Fc1cccc(c1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D17 compound treatment 0.493 0.0635 2.0 0.432 0.0942 2.79 3.3853 0.9865 3585060 YTC2.1-F_000086 CCN(CCCN(C)C)c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D18 compound treatment 0.443 0.0135 0.42 0.411 0.0732 2.17 1.8336 0.8298 3585895 YTC2.1-F_000087 CN(C)c1ccc(cc1)C(=c2ccc3=CC(=N)C=Cc3c2)c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D19 compound treatment 0.457 0.0275 0.86 0.428 0.0902 2.67 2.5011 0.8904 3585062 YTC2.1-F_000088 CCN(CCCN(C)C)c1ccc2c(c3cc(C)cc(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D20 compound treatment 0.435 0.0055 0.17 0.369 0.0312 0.92 0.7757 0.8251 3585898 YTC2.1-F_000089 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4cc(C)cc(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D21 compound treatment 0.368 -0.0615 -1.93 0.307 -0.0308 -0.91 -2.013 -0.9413 3585064 YTC2.1-F_000090 CN(C)c1ccc2c(c3ccc(cc3)C(C)(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D22 compound treatment 0.436 0.0065 0.2 0.298 -0.0398 -1.18 -0.6897 -0.576 3585203 YTC2.1-F_000091 CCN(CCCN(C)C)c1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D23 mock treatment 0.396 -0.0335 -1.05 0.262 -0.0758 -2.25 -2.3333 -0.9404 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 D24 compound treatment 0.428 -0.0015 -0.05 0.298 -0.0398 -1.18 -0.8675 -0.7348 3584998 YTC2.1-F_000092 Nc1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E01 compound treatment 0.472 0.0425 1.34 0.342 0.00419 0.12 1.0327 0.7695 3585217 YTC2.1-F_000093 Nc1ccc2c(=O)c3ccc(cc3oc2c1)N4CCCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E02 compound treatment 0.439 0.0095 0.3 0.305 -0.0328 -0.97 -0.4763 -0.4683 3585219 YTC2.1-F_000094 CCN(CC)c1ccc2c(=O)c3ccc(N)cc3[nH]c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E03 compound treatment 0.384 -0.0455 -1.43 0.314 -0.0238 -0.71 -1.5106 -0.9469 3574057 YTC2.1-F_000095 COc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E04 compound treatment 0.408 -0.0215 -0.68 0.323 -0.0148 -0.44 -0.7884 -0.9781 3584899 YTC2.1-F_000096 COc1ccc(cc1F)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E05 compound treatment 0.413 -0.0165 -0.52 0.328 -0.00981 -0.29 -0.5725 -0.9625 3574061 YTC2.1-F_000097 Nc1ccc2c(c3cc(F)c(F)c(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E06 compound treatment 0.377 -0.0525 -1.65 0.343 0.00519 0.15 -1.0586 -0.6385 3584901 YTC2.1-F_000098 N=c1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E07 compound treatment 0.409 -0.0205 -0.64 0.334 -0.00381 -0.11 -0.5357 -0.8186 3574065 YTC2.1-F_000099 Nc1ccc2c(c3ccc(C=O)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E08 compound treatment 0.459 0.0295 0.93 0.364 0.0262 0.78 1.2046 0.9961 3584903 YTC2.1-F_000100 COc1c(C)cc(cc1C)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E09 compound treatment 0.42 -0.0095 -0.3 0.413 0.0752 2.23 1.3642 0.6069 3574069 YTC2.1-F_000101 CN(C)c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E10 compound treatment 0.403 -0.0265 -0.83 0.377 0.0392 1.16 0.2319 0.1622 3584906 YTC2.1-F_000102 CCNc1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E11 compound treatment 0.425 -0.0045 -0.14 0.39 0.0522 1.55 0.9934 0.6397 3574073 YTC2.1-F_000103 CN(C)c1ccc2c(c3cc(C)cc(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E12 compound treatment 0.42 -0.0095 -0.3 0.378 0.0402 1.19 0.6308 0.5138 3584908 YTC2.1-F_000104 CCNc1ccc2c(c3ccc(CN4CCC5(CC4)OCCO5)cc3)c6ccc(=N)cc6oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E13 compound treatment 0.435 0.0055 0.17 0.431 0.0932 2.76 2.0748 0.7499 3574077 YTC2.1-F_000105 COc1c(C)cc(cc1C)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E14 compound treatment 0.398 -0.0315 -0.99 0.392 0.0542 1.61 0.435 0.2306 3584910 YTC2.1-F_000106 COc1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E15 compound treatment 0.401 -0.0285 -0.9 0.388 0.0502 1.49 0.4179 0.2407 3574082 YTC2.1-F_000107 CN(C)c1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E16 compound treatment 0.403 -0.0265 -0.83 0.371 0.0332 0.98 0.1062 0.0824 3584912 YTC2.1-F_000108 Nc1ccc2c(c3ccccc3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E17 compound treatment 0.465 0.0355 1.12 0.393 0.0552 1.64 1.9456 0.9827 3574086 YTC2.1-F_000109 Cc1cc(C)cc(c1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E18 compound treatment 0.413 -0.0165 -0.52 0.467 0.129 3.83 2.34 0.6057 3584914 YTC2.1-F_000110 Cc1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E19 compound treatment 0.406 -0.0235 -0.74 0.333 -0.00481 -0.14 -0.6233 -0.8283 3574090 YTC2.1-F_000111 Cc1cc(ccc1F)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E20 compound treatment 0.403 -0.0265 -0.83 0.317 -0.0208 -0.62 -1.0253 -0.989 3584916 YTC2.1-F_000112 CC1=CC(C)(C)Nc2ccc3c(c4ccc5ccccc5c4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E21 compound treatment 0.401 -0.0285 -0.9 0.338 1.88E-4 0.01 -0.6297 -0.7027 3574094 YTC2.1-F_000113 CN(C)c1ccc2c(c3ccc(F)c(Cl)c3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E22 compound treatment 0.368 -0.0615 -1.93 0.267 -0.0708 -2.1 -2.8511 -0.9992 3584918 YTC2.1-F_000114 CC1=CC(C)(C)Nc2ccc3c(c4cccc(Cl)c4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E23 mock treatment 0.405 -0.0245 -0.77 0.258 -0.0798 -2.36 -2.217 -0.8913 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 E24 compound treatment 0.426 -0.0035 -0.11 0.318 -0.0198 -0.59 -0.4929 -0.8253 3585253 YTC2.1-F_000115 CC1=CC(C)(C)Nc2ccc3c(c4cccc(CN5CCOCC5)c4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F01 compound treatment 0.46 0.0305 0.96 0.334 -0.00381 -0.11 0.5983 0.6195 3585221 YTC2.1-F_000116 Nc1ccc2c(c3ccc4OCOc4c3)c5ccc(=O)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F02 compound treatment 0.491 0.0615 1.93 0.355 0.0172 0.51 1.7275 0.8639 3585223 YTC2.1-F_000117 CCN(CC)c1ccc2c(c3cc(C)cc(C)c3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F03 compound treatment 0.423 -0.0065 -0.2 0.35 0.0122 0.36 0.1108 0.2671 3585067 YTC2.1-F_000118 Cc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F04 compound treatment 0.468 0.0385 1.21 0.358 0.0202 0.6 1.279 0.9472 3585902 YTC2.1-F_000119 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Oc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F05 compound treatment 0.482 0.0525 1.65 0.378 0.0402 1.19 2.0093 0.9872 3585069 YTC2.1-F_000120 CCCCN(CCCC)c1ccc2c(c3ccc(SC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F06 compound treatment 0.438 0.0085 0.27 0.42 0.0822 2.44 1.911 0.78 3585904 YTC2.1-F_000121 Cc1cc(C)cc(c1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F07 compound treatment 0.477 0.0475 1.49 0.371 0.0332 0.98 1.7515 0.9794 3585071 YTC2.1-F_000122 CCCCN(CCCC)c1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F08 compound treatment 0.419 -0.0105 -0.33 0.409 0.0712 2.11 1.2581 0.5893 3585906 YTC2.1-F_000123 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cccs3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F09 compound treatment 0.462 0.0325 1.02 0.411 0.0732 2.17 2.2561 0.9411 3585073 YTC2.1-F_000124 CN1c2ccc3c(c4ccc(F)cc4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F10 compound treatment 0.464 0.0345 1.08 0.456 0.118 3.5 3.2434 0.8847 3585908 YTC2.1-F_000125 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F11 compound treatment 0.411 -0.0185 -0.58 0.374 0.0362 1.07 0.3469 0.2844 3585075 YTC2.1-F_000126 CN1c2ccc3c(c4cc(F)c(F)c(F)c4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F12 compound treatment 0.466 0.0365 1.15 0.417 0.0792 2.35 2.4707 0.9459 3585910 YTC2.1-F_000127 COc1c(C)cc(cc1C)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F13 compound treatment 0.471 0.0415 1.3 0.476 0.138 4.09 3.8181 0.8884 3585078 YTC2.1-F_000128 CN1c2ccc3c(c4ccc(C)cc4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F14 compound treatment 0.409 -0.0205 -0.64 0.414 0.0762 2.26 1.1405 0.4858 3585913 YTC2.1-F_000129 CSc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F15 compound treatment 0.422 -0.0075 -0.24 0.385 0.0472 1.4 0.822 0.5797 3585079 YTC2.1-F_000130 CCN(CC)c1ccc2c(c3ccc4ccccc4c3)c5ccc(N)cc5nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F16 compound treatment 0.48 0.0505 1.59 0.438 0.1 2.97 3.222 0.957 3585914 YTC2.1-F_000131 Clc1cccc(c1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F17 compound treatment 0.463 0.0335 1.05 0.472 0.134 3.98 3.5564 0.8646 3585082 YTC2.1-F_000132 CCN(CCCN(C)C)c1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F18 compound treatment 0.456 0.0265 0.83 0.444 0.106 3.15 2.8141 0.8646 3585917 YTC2.1-F_000133 COc1ccc(cc1)/C(=c/2\ccc3=CC(=N)C=Cc3c2)/c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F19 compound treatment 0.417 -0.0125 -0.39 0.52 0.182 5.4 3.5394 0.6539 3585084 YTC2.1-F_000134 CCN(CCCN(C)C)c1ccc2c(c3cccc(OC)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F20 compound treatment 0.462 0.0325 1.02 0.41 0.0722 2.14 2.2351 0.9429 3585920 YTC2.1-F_000135 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F21 compound treatment 0.455 0.0255 0.8 0.317 -0.0208 -0.62 0.1309 0.1294 3585086 YTC2.1-F_000136 CN(C)c1ccc2c(c3ccc(cc3)C(C)(C)C)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F22 compound treatment 0.441 0.0115 0.36 0.359 0.0212 0.63 0.6996 0.9657 3585213 YTC2.1-F_000137 CCN(CCCN(C)C)c1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F23 mock treatment 0.405 -0.0245 -0.77 0.293 -0.0448 -1.33 -1.4837 -0.9665 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 F24 compound treatment 0.443 0.0135 0.42 0.265 -0.0728 -2.16 -1.2255 -0.5573 3585215 YTC2.1-F_000138 CC1=CC(C)(C)Nc2ccc3c(c4ccc(O)cc4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G01 compound treatment 0.46 0.0305 0.96 0.321 -0.0168 -0.5 0.3259 0.3015 3585230 YTC2.1-F_000139 Nc1ccc2c(=O)c3ccc(O)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G02 compound treatment 0.436 0.0065 0.2 0.335 -0.00281 -0.08 0.0856 0.3878 3585232 YTC2.1-F_000140 CCN(CCCN(C)C)c1ccc2c(=O)c3ccc(N)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G03 compound treatment 0.402 -0.0275 -0.86 0.339 0.00119 0.04 -0.5866 -0.6778 3574139 YTC2.1-F_000141 Nc1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G04 compound treatment 0.379 -0.0505 -1.59 0.363 0.0252 0.75 -0.5951 -0.3392 3584920 YTC2.1-F_000142 CCCc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G05 compound treatment 0.399 -0.0305 -0.96 0.391 0.0532 1.58 0.4363 0.2365 3574143 YTC2.1-F_000143 COc1ccc2cc(ccc2c1)c3c4ccc(N)cc4oc5cc(=N)ccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G06 compound treatment 0.402 -0.0275 -0.86 0.399 0.0612 1.81 0.6706 0.3338 3584922 YTC2.1-F_000144 N=c1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G07 compound treatment 0.405 -0.0245 -0.77 0.346 0.00819 0.24 -0.3732 -0.462 3574147 YTC2.1-F_000145 Nc1ccc2c(c3ccc(CN4CCC5(CC4)OCCO5)cc3)c6ccc(=N)cc6oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G08 compound treatment 0.391 -0.0385 -1.21 0.329 -0.00881 -0.26 -1.0407 -0.8403 3584925 YTC2.1-F_000146 COc1ccc(cc1F)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G09 compound treatment 0.431 0.0015 0.05 0.36 0.0222 0.66 0.4982 0.7559 3574151 YTC2.1-F_000147 CN(C)c1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G10 compound treatment 0.403 -0.0265 -0.83 0.373 0.0352 1.04 0.1481 0.1109 3584926 YTC2.1-F_000148 CCNc1ccc2c(c3ccccc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G11 compound treatment 0.432 0.0025 0.08 0.389 0.0512 1.52 1.1281 0.7428 3574156 YTC2.1-F_000149 COc1cccc(c1)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G12 compound treatment 0.428 -0.0015 -0.05 0.372 0.0342 1.01 0.683 0.6735 3584929 YTC2.1-F_000150 CCNc1ccc2c(c3ccc(C)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G13 compound treatment 0.42 -0.0095 -0.3 0.43 0.0922 2.73 1.7204 0.6261 3574160 YTC2.1-F_000151 CN(C)c1ccc2c(c3ccc(F)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G14 compound treatment 0.398 -0.0315 -0.99 0.337 -8.12E-4 -0.02 -0.7174 -0.7241 3584931 YTC2.1-F_000152 Nc1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G15 compound treatment 0.507 0.0775 2.44 0.438 0.1 2.97 3.8223 0.9952 3574164 YTC2.1-F_000153 COc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G16 compound treatment 0.44 0.0105 0.33 0.415 0.0772 2.29 1.8507 0.8009 3584933 YTC2.1-F_000154 Cc1cc(C)cc(c1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G17 compound treatment 0.372 -0.0575 -1.81 0.42 0.0822 2.44 0.4436 0.1463 3574168 YTC2.1-F_000155 COc1cccc(c1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G18 compound treatment 0.431 0.0015 0.05 0.372 0.0342 1.01 0.7497 0.7392 3584935 YTC2.1-F_000156 COc1c(C)cc(cc1C)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G19 compound treatment 0.396 -0.0335 -1.05 0.42 0.0822 2.44 0.9772 0.3683 3574172 YTC2.1-F_000157 CN(C)c1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G20 compound treatment 0.4 -0.0295 -0.93 0.366 0.0282 0.84 -0.0653 -0.0523 3584937 YTC2.1-F_000158 CSc1ccc(cc1)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G21 compound treatment 0.385 -0.0445 -1.4 0.32 -0.0178 -0.53 -1.3626 -0.9112 3574176 YTC2.1-F_000159 CN(C)c1ccc2c(c3ccccc3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G22 compound treatment 0.401 -0.0285 -0.9 0.344 0.00619 0.18 -0.504 -0.551 3584939 YTC2.1-F_000160 CC1=CC(C)(C)Nc2ccc3c(c4ccc(C=O)cc4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G23 mock treatment 0.514 0.0845 2.66 0.336 -0.00181 -0.05 1.8408 0.6927 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 G24 mock treatment 0.439 0.0095 0.3 0.309 -0.0288 -0.85 -0.3925 -0.4339 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H01 compound treatment 0.48 0.0505 1.59 0.301 -0.0368 -1.09 0.3515 0.1825 3585234 YTC2.1-F_000161 Cc1cc(ccc1F)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H02 compound treatment 0.5 0.0705 2.22 0.389 0.0512 1.52 2.64 0.9829 3585236 YTC2.1-F_000162 CCN(CC)c1ccc2c(c3cccc(OC)c3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H03 compound treatment 0.437 0.0075 0.24 0.34 0.00219 0.06 0.2126 0.8692 3585088 YTC2.1-F_000163 COc1c(C)cc(cc1C)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H04 compound treatment 0.419 -0.0105 -0.33 0.33 -0.00781 -0.23 -0.3971 -0.9849 3585924 YTC2.1-F_000164 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Cl)s3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H05 compound treatment 0.469 0.0395 1.24 0.349 0.0112 0.33 1.1126 0.8655 3585090 YTC2.1-F_000165 CCCCN(CCCC)c1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H06 compound treatment 0.427 -0.0025 -0.08 0.349 0.0112 0.33 0.1788 0.5249 3585926 YTC2.1-F_000166 COc1cccc(c1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H07 compound treatment 0.465 0.0355 1.12 0.408 0.0702 2.08 2.2599 0.9574 3585093 YTC2.1-F_000167 CCCCN(CCCC)c1ccc2c(c3ccc(C)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H08 compound treatment 0.452 0.0225 0.71 0.384 0.0462 1.37 1.468 0.9529 3585928 YTC2.1-F_000168 CCCc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H09 compound treatment 0.511 0.0815 2.56 0.42 0.0822 2.44 3.5341 0.9997 3585095 YTC2.1-F_000169 CN(C)c1ccc(cc1)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H10 compound treatment 0.44 0.0105 0.33 0.4 0.0622 1.84 1.5365 0.8207 3585930 YTC2.1-F_000170 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cc4ccccc4c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H11 compound treatment 0.527 0.0975 3.07 0.48 0.142 4.21 5.147 0.9878 3585097 YTC2.1-F_000171 COc1ccc2cc(ccc2c1)c3c4ccc(=N)cc4n(C)c5c6C(=CC(C)(C)N(C)c6ccc35)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H12 compound treatment 0.423 -0.0065 -0.2 0.405 0.0672 1.99 1.2632 0.6312 3585932 YTC2.1-F_000172 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(F)c(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H13 compound treatment 0.496 0.0665 2.09 0.462 0.124 3.68 4.0806 0.9641 3585099 YTC2.1-F_000173 COc1c(C)cc(cc1C)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H14 compound treatment 0.464 0.0345 1.08 0.386 0.0482 1.43 1.7767 0.9908 3585934 YTC2.1-F_000174 N=C1C=CC(=C(c2ccc(cc2)N3CCCC3)c4ccc(cc4)c5ccccc5)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H15 compound treatment 0.454 0.0245 0.77 0.406 0.0682 2.02 1.9734 0.9126 3585101 YTC2.1-F_000175 CCN(CC)c1ccc2c(c3ccc(SC)cc3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H16 compound treatment 0.454 0.0245 0.77 0.423 0.0852 2.52 2.3296 0.8827 3585937 YTC2.1-F_000176 Cc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H17 compound treatment 0.449 0.0195 0.61 0.428 0.0902 2.67 2.3232 0.8473 3585104 YTC2.1-F_000177 CCN(CCCN(C)C)c1ccc2c(c3ccc(SC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H18 compound treatment 0.458 0.0285 0.9 0.521 0.183 5.43 4.4719 0.8128 3585938 YTC2.1-F_000178 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc(Oc5ccccc5)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H19 compound treatment 0.432 0.0025 0.08 0.415 0.0772 2.29 1.6729 0.731 3585105 YTC2.1-F_000179 CCN(CCCN(C)C)c1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H20 compound treatment 0.443 0.0135 0.42 0.404 0.0662 1.96 1.687 0.8407 3585942 YTC2.1-F_000180 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4cccc(F)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H21 compound treatment 0.432 0.0025 0.08 0.415 0.0772 2.29 1.6729 0.731 3585108 YTC2.1-F_000181 CC(C)(C)c1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H22 compound treatment 0.6 0.171 5.36 0.341 0.00319 0.09 3.8577 0.7195 3585226 YTC2.1-F_000182 CCN(CCCN(C)C)c1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H23 mock treatment 0.531 0.102 3.19 0.284 -0.0538 -1.59 1.1292 0.3165 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 H24 mock treatment 0.469 0.0395 1.24 0.37 0.0322 0.95 1.5527 0.9915 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I01 compound treatment 0.451 0.0215 0.68 0.302 -0.0358 -1.06 -0.2723 -0.2164 3585242 YTC2.1-F_000183 CN(C)c1ccc2c(=O)c3ccc(N)cc3n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I02 compound treatment 0.439 0.0095 0.3 0.338 1.88E-4 0.01 0.2152 0.7201 3585245 YTC2.1-F_000184 Nc1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=O)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I03 compound treatment 0.407 -0.0225 -0.71 0.318 -0.0198 -0.59 -0.9154 -0.9957 3574221 YTC2.1-F_000185 Nc1ccc2c(c3ccc(Cl)s3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I04 compound treatment 0.429 -5.0E-4 -0.02 0.343 0.00519 0.15 0.0976 0.6315 3584941 YTC2.1-F_000186 COc1ccc(cc1OC)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I05 compound treatment 0.413 -0.0165 -0.52 0.304 -0.0338 -1.0 -1.0753 -0.9531 3574225 YTC2.1-F_000187 Nc1ccc2c(c3ccccc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I06 compound treatment 0.419 -0.0105 -0.33 0.333 -0.00481 -0.14 -0.3343 -0.9295 3584943 YTC2.1-F_000188 N=c1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I07 compound treatment 0.405 -0.0245 -0.77 0.317 -0.0208 -0.62 -0.9808 -0.9939 3574229 YTC2.1-F_000189 Cc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I08 compound treatment 0.418 -0.0115 -0.36 0.329 -0.00881 -0.26 -0.4403 -0.9872 3584945 YTC2.1-F_000190 CN(C)c1ccc2c(c3ccc(F)c(C)c3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I09 compound treatment 0.601 0.172 5.39 0.352 0.0142 0.42 4.1104 0.7599 3574233 YTC2.1-F_000191 CSc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I10 compound treatment 0.418 -0.0115 -0.36 0.33 -0.00781 -0.23 -0.4194 -0.9768 3584947 YTC2.1-F_000192 CCNc1ccc2c(c3cc(C)cc(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I11 compound treatment 0.414 -0.0155 -0.49 0.342 0.00419 0.12 -0.2569 -0.5108 3574237 YTC2.1-F_000193 CN(C)c1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I12 compound treatment 0.424 -0.0055 -0.17 0.357 0.0192 0.57 0.2797 0.4707 3584949 YTC2.1-F_000194 CCNc1ccc2c(c3cc(C)c(OC)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I13 compound treatment 0.403 -0.0265 -0.83 0.372 0.0342 1.01 0.1271 0.0969 3574241 YTC2.1-F_000195 CCCc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I14 compound treatment 0.419 -0.0105 -0.33 0.358 0.0202 0.6 0.1895 0.2774 3584952 YTC2.1-F_000196 Nc1ccc2c(c3ccc(O)cc3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I15 compound treatment 0.442 0.0125 0.39 0.413 0.0752 2.23 1.8533 0.8192 3574245 YTC2.1-F_000197 N=c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I16 compound treatment 0.378 -0.0515 -1.62 0.361 0.0232 0.69 -0.6592 -0.3747 3584953 YTC2.1-F_000198 COc1cccc(c1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I17 compound treatment 0.41 -0.0195 -0.61 0.398 0.0602 1.78 0.8275 0.4388 3574249 YTC2.1-F_000199 N=c1ccc2c(c3ccc4OCOc4c3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I18 compound treatment 0.4 -0.0295 -0.93 0.468 0.13 3.86 2.0719 0.5222 3584956 YTC2.1-F_000200 Cc1cc(ccc1F)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I19 compound treatment 0.391 -0.0385 -1.21 0.362 0.0242 0.72 -0.3492 -0.2482 3574253 YTC2.1-F_000201 CN(C)c1ccc(cc1)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I20 compound treatment 0.403 -0.0265 -0.83 0.289 -0.0488 -1.45 -1.612 -0.9657 3584957 YTC2.1-F_000202 CC1=CC(C)(C)Nc2ccc3c(c4ccc(cc4)c5ccccc5)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I21 compound treatment 0.393 -0.0365 -1.15 0.354 0.0162 0.48 -0.4724 -0.3797 3574257 YTC2.1-F_000203 CN(C)c1ccc2c(c3cc(C)cc(C)c3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I22 compound treatment 0.404 -0.0255 -0.8 0.478 0.14 4.15 2.3703 0.5603 3584960 YTC2.1-F_000204 CC1=CC(C)(C)Nc2ccc3c(c4ccc(CN5CCC6(CC5)OCCO6)cc4)c7ccc(=N)cc7oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I23 mock treatment 0.416 -0.0135 -0.42 0.41 0.0722 2.14 1.2124 0.5559 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 I24 mock treatment 0.439 0.0095 0.3 0.347 0.00919 0.27 0.4037 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J01 compound treatment 0.475 0.0455 1.43 0.337 -8.12E-4 -0.02 0.9946 0.6951 3585247 YTC2.1-F_000205 CCN(CC)c1ccc2c(c3ccc(F)cc3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J02 compound treatment 0.453 0.0235 0.74 0.304 -0.0338 -1.0 -0.186 -0.1494 3585249 YTC2.1-F_000206 CCN(CC)c1ccc2c(c3cccc(F)c3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J03 compound treatment 0.445 0.0155 0.49 0.327 -0.0108 -0.32 0.1181 0.2024 3585110 YTC2.1-F_000207 CCCc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J04 compound treatment 0.457 0.0275 0.86 0.349 0.0112 0.33 0.8458 0.9134 3585946 YTC2.1-F_000208 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc4ccccc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J05 compound treatment 0.554 0.125 3.91 0.373 0.0352 1.04 3.5054 0.8653 3585112 YTC2.1-F_000209 CCCCN(CCCC)c1ccc2c(c3ccc4cc(OC)ccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J06 compound treatment 0.576 0.146 4.61 0.319 -0.0188 -0.56 2.8631 0.617 3585949 YTC2.1-F_000210 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J07 compound treatment 0.48 0.0505 1.59 0.353 0.0152 0.45 1.441 0.8731 3585114 YTC2.1-F_000211 CCCCN(CCCC)c1ccc2c(c3cc(C)c(OC)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J08 compound treatment 0.462 0.0325 1.02 0.381 0.0432 1.28 1.6275 0.9938 3585950 YTC2.1-F_000212 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(F)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J09 compound treatment 0.534 0.105 3.29 0.382 0.0442 1.31 3.2493 0.9186 3585116 YTC2.1-F_000213 COc1ccc(cc1)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J10 compound treatment 0.424 -0.0055 -0.17 0.31 -0.0278 -0.82 -0.705 -0.8373 3585953 YTC2.1-F_000214 COc1ccc2cc(ccc2c1)C(=C3C=CC(=N)C=C3)c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J11 compound treatment 0.499 0.0695 2.19 0.371 0.0332 0.98 2.2406 0.935 3585119 YTC2.1-F_000215 CN1c2ccc3c(c4ccc(cc4)C(C)(C)C)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J12 compound treatment 0.42 -0.0095 -0.3 0.323 -0.0148 -0.44 -0.5216 -0.9824 3585954 YTC2.1-F_000216 CCCc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J13 compound treatment 0.466 0.0365 1.15 0.347 0.00919 0.27 1.004 0.8512 3585121 YTC2.1-F_000217 CN1c2ccc3c(c4ccc(F)c(C)c4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J14 compound treatment 0.457 0.0275 0.86 0.347 0.00919 0.27 0.8039 0.8868 3585957 YTC2.1-F_000218 COc1ccc2cc(ccc2c1)C(=C3C=CC(=N)C=C3)c4ccc(cc4)N5CCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J15 compound treatment 0.496 0.0665 2.09 0.378 0.0402 1.19 2.3206 0.9644 3585123 YTC2.1-F_000219 CCN(CC)c1ccc2c(c3ccc4cc(OC)ccc4c3)c5ccc(N)cc5nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J16 compound treatment 0.422 -0.0075 -0.24 0.385 0.0472 1.4 0.822 0.5797 3585958 YTC2.1-F_000220 COc1c(C)cc(cc1C)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J17 compound treatment 0.474 0.0445 1.4 0.419 0.0812 2.41 2.6905 0.9668 3585125 YTC2.1-F_000221 CCN(CCCN(C)C)c1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J18 compound treatment 0.455 0.0255 0.8 0.547 0.209 6.2 4.95 0.792 3585961 YTC2.1-F_000222 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc5ccccc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J19 compound treatment 0.466 0.0365 1.15 0.441 0.103 3.06 2.9736 0.9105 3585127 YTC2.1-F_000223 CCN(CCCN(C)C)c1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J20 compound treatment 0.448 0.0185 0.58 0.258 -0.0798 -2.36 -1.261 -0.5177 3585965 YTC2.1-F_000224 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4cccc(Cl)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J21 compound treatment 0.382 -0.0475 -1.49 0.443 0.105 3.12 1.1479 0.3321 3585129 YTC2.1-F_000225 CN(C)c1ccc2c(c3cccs3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J22 compound treatment 0.448 0.0185 0.58 0.475 0.137 4.07 3.2858 0.8001 3585238 YTC2.1-F_000226 CCCc1ccc(cc1)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J23 mock treatment 0.409 -0.0205 -0.64 0.344 0.00619 0.18 -0.3262 -0.4867 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 J24 mock treatment 0.442 0.0125 0.39 0.431 0.0932 2.76 2.2305 0.7997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K01 compound treatment 0.475 0.0455 1.43 0.326 -0.0118 -0.35 0.7641 0.5188 3585255 YTC2.1-F_000227 CCNc1ccc2c(=O)c3ccc(N)cc3oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K02 compound treatment 0.481 0.0515 1.62 0.329 -0.00881 -0.26 0.9604 0.5855 3585257 YTC2.1-F_000228 Nc1ccc2c(c3ccc4ccccc4c3)c5ccc(=O)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K03 compound treatment 0.419 -0.0105 -0.33 0.305 -0.0328 -0.97 -0.921 -0.8969 3574301 YTC2.1-F_000229 Nc1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K04 compound treatment 0.43 5.0E-4 0.02 0.298 -0.0398 -1.18 -0.8231 -0.6976 3584962 YTC2.1-F_000230 COc1ccc(cc1F)c2c3ccc(cc3oc4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K05 compound treatment 0.432 0.0025 0.08 0.302 -0.0358 -1.06 -0.6948 -0.6529 3574305 YTC2.1-F_000231 Cc1cc(C)cc(c1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K06 compound treatment 0.407 -0.0225 -0.71 0.287 -0.0508 -1.51 -1.5649 -0.9407 3584964 YTC2.1-F_000232 COc1ccc2cc(ccc2c1)c3c4ccc(cc4n(C)c5cc(=N)ccc35)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K07 compound treatment 0.437 0.0075 0.24 0.334 -0.00381 -0.11 0.0869 0.3322 3574309 YTC2.1-F_000233 COc1c(C)cc(cc1C)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K08 compound treatment 0.413 -0.0165 -0.52 0.295 -0.0428 -1.27 -1.2639 -0.9222 3584966 YTC2.1-F_000234 CCNc1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K09 compound treatment 0.425 -0.0045 -0.14 0.306 -0.0318 -0.94 -0.7666 -0.8042 3574313 YTC2.1-F_000235 CN(C)c1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K10 compound treatment 0.42 -0.0095 -0.3 0.312 -0.0258 -0.76 -0.7521 -0.9159 3584968 YTC2.1-F_000236 CCNc1ccc2c(c3cccc(OC)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K11 compound treatment 0.432 0.0025 0.08 0.307 -0.0308 -0.91 -0.59 -0.6438 3574317 YTC2.1-F_000237 CN(C)c1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K12 compound treatment 0.418 -0.0115 -0.36 0.349 0.0112 0.33 -0.0213 -0.0434 3584970 YTC2.1-F_000238 CCNc1ccc2c(c3ccc(F)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K13 compound treatment 0.401 -0.0285 -0.9 0.311 -0.0268 -0.79 -1.1955 -0.9982 3574321 YTC2.1-F_000239 CN(C)c1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K14 compound treatment 0.443 0.0135 0.42 0.565 0.227 6.73 5.0603 0.7502 3584972 YTC2.1-F_000240 Nc1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K15 compound treatment 0.492 0.0625 1.97 0.375 0.0372 1.1 2.1688 0.9626 3574325 YTC2.1-F_000241 N=c1ccc2c(c3ccc4ccccc4c3)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K16 compound treatment 0.404 -0.0255 -0.8 0.32 -0.0178 -0.53 -0.9402 -0.9794 3584975 YTC2.1-F_000242 Nc1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K17 compound treatment 0.454 0.0245 0.77 0.35 0.0122 0.36 0.8001 0.9404 3574329 YTC2.1-F_000243 Fc1cccc(c1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K18 compound treatment 0.457 0.0275 0.86 0.424 0.0862 2.55 2.4173 0.8965 3584976 YTC2.1-F_000244 CCCc1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K19 compound treatment 0.39 -0.0395 -1.24 0.471 0.133 3.95 1.9124 0.4622 3574333 YTC2.1-F_000245 COc1ccc(cc1)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K20 compound treatment 0.391 -0.0385 -1.21 0.496 0.158 4.69 2.4584 0.5078 3584979 YTC2.1-F_000246 CC1=CC(C)(C)Nc2ccc3c(c4ccccc4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K21 compound treatment 0.413 -0.0165 -0.52 0.391 0.0532 1.58 0.7476 0.4505 3574337 YTC2.1-F_000247 COc1cccc(c1)c2c3ccc(cc3n(C)c4cc(=N)ccc24)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K22 compound treatment 0.413 -0.0165 -0.52 0.492 0.154 4.57 2.8638 0.6228 3584981 YTC2.1-F_000248 CC1=CC(C)(C)Nc2ccc3c(c4ccc(C)cc4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K23 mock treatment 0.423 -0.0065 -0.2 0.321 -0.0168 -0.5 -0.4968 -0.9226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 K24 mock treatment 0.43 5.0E-4 0.02 0.389 0.0512 1.52 1.0836 0.7144 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L01 compound treatment 0.449 0.0195 0.61 0.292 -0.0458 -1.36 -0.5263 -0.3534 3585260 YTC2.1-F_000249 CCN(CC)c1ccc2c(c3ccc(cc3)N(C)C)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L02 compound treatment 0.425 -0.0045 -0.14 0.309 -0.0288 -0.85 -0.7038 -0.8132 3585261 YTC2.1-F_000250 CCN(CCCN(C)C)c1ccc2c(c3ccc(cc3)N(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L03 compound treatment 0.49 0.0605 1.9 0.321 -0.0168 -0.5 0.9929 0.5049 3585131 YTC2.1-F_000251 CCCCN(CCCC)c1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L04 compound treatment 0.427 -0.0025 -0.08 0.279 -0.0588 -1.74 -1.2879 -0.7383 3585968 YTC2.1-F_000252 CSc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L05 compound treatment 0.492 0.0625 1.97 0.327 -0.0108 -0.32 1.1631 0.5841 3585134 YTC2.1-F_000253 CCCCN(CCCC)c1ccc2c(c3ccc(cc3)C(C)(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L06 compound treatment 0.437 0.0075 0.24 0.347 0.00919 0.27 0.3593 0.9974 3585970 YTC2.1-F_000254 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cccc(F)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L07 compound treatment 0.524 0.0945 2.97 0.371 0.0332 0.98 2.7965 0.8935 3585135 YTC2.1-F_000255 CCCCN(CCCC)c1ccc2c(c3ccc(F)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L08 compound treatment 0.431 0.0015 0.05 0.304 -0.0338 -1.0 -0.6751 -0.6731 3585972 YTC2.1-F_000256 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L09 compound treatment 0.553 0.124 3.88 0.361 0.0232 0.69 3.2317 0.8195 3585137 YTC2.1-F_000257 CN1c2ccc3c(c4ccc(Oc5ccccc5)cc4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L10 compound treatment 0.481 0.0515 1.62 0.349 0.0112 0.33 1.3795 0.8346 3585974 YTC2.1-F_000258 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L11 compound treatment 0.486 0.0565 1.78 0.345 0.00719 0.21 1.4068 0.7862 3585139 YTC2.1-F_000259 CN1c2ccc3c(c4ccccc4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L12 compound treatment 0.488 0.0585 1.84 0.371 0.0332 0.98 1.9961 0.957 3585977 YTC2.1-F_000260 Fc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L13 compound treatment 0.49 0.0605 1.9 0.385 0.0472 1.4 2.3339 0.9885 3585141 YTC2.1-F_000261 CN1c2ccc3c(c4cccs4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L14 compound treatment 0.481 0.0515 1.62 0.359 0.0212 0.63 1.589 0.9149 3585979 YTC2.1-F_000262 N=C1C=CC(=C(c2ccccc2)c3ccc(cc3)N4CCCC4)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L15 compound treatment 0.48 0.0505 1.59 0.359 0.0212 0.63 1.5667 0.9176 3585143 YTC2.1-F_000263 CCN(CC)c1ccc2c(c3ccc(C)cc3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L16 compound treatment 0.473 0.0435 1.37 0.367 0.0292 0.86 1.5787 0.9756 3585981 YTC2.1-F_000264 Cc1cc(ccc1F)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L17 compound treatment 0.456 0.0265 0.83 0.329 -0.00881 -0.26 0.4046 0.4633 3585146 YTC2.1-F_000265 CCN(CCCN(C)C)c1ccc2c(c3ccc(F)c(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L18 compound treatment 0.473 0.0435 1.37 0.435 0.0972 2.88 3.0035 0.9421 3585983 YTC2.1-F_000266 CSc1ccc(cc1)/C(=c/2\ccc3=CC(=N)C=Cc3c2)/c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L19 compound treatment 0.47 0.0405 1.27 0.447 0.109 3.24 3.1882 0.917 3585147 YTC2.1-F_000267 CCN(CCCN(C)C)c1ccc2c(c3ccc(C)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L20 compound treatment 0.467 0.0375 1.18 0.419 0.0812 2.41 2.5349 0.9461 3585987 YTC2.1-F_000268 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc(C)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L21 compound treatment 0.387 -0.0425 -1.34 0.387 0.0492 1.46 0.0857 0.0433 3585150 YTC2.1-F_000269 CN(C)c1ccc(cc1)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L22 compound treatment 0.426 -0.0035 -0.11 0.429 0.0912 2.7 1.8328 0.6777 3585251 YTC2.1-F_000270 CCNc1ccc2c(c3ccc(cc3)N(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L23 mock treatment 0.425 -0.0045 -0.14 0.459 0.121 3.59 2.4392 0.6787 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 L24 mock treatment 0.433 0.0035 0.11 0.45 0.112 3.32 2.4284 0.7301 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M01 compound treatment 0.466 0.0365 1.15 0.3 -0.0378 -1.12 0.0193 0.012 3585266 YTC2.1-F_000271 Nc1ccc2c(=O)c3ccc(N)cc3sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M02 compound treatment 0.459 0.0295 0.93 0.297 -0.0408 -1.21 -0.1992 -0.1307 3585268 YTC2.1-F_000272 CSc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M03 compound treatment 0.407 -0.0225 -0.71 0.28 -0.0578 -1.71 -1.7116 -0.9235 3574381 YTC2.1-F_000273 CSc1ccc(cc1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M04 compound treatment 0.407 -0.0225 -0.71 0.27 -0.0678 -2.01 -1.9211 -0.9018 3584983 YTC2.1-F_000274 COc1ccc(cc1OC)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M05 compound treatment 0.42 -0.0095 -0.3 0.331 -0.00681 -0.2 -0.354 -0.9818 3574385 YTC2.1-F_000275 COc1cccc(c1)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M06 compound treatment 0.414 -0.0155 -0.49 0.262 -0.0758 -2.25 -1.9331 -0.841 3584985 YTC2.1-F_000276 CN(C)c1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M07 compound treatment 0.415 -0.0145 -0.46 0.282 -0.0558 -1.65 -1.4918 -0.8696 3574389 YTC2.1-F_000277 Cc1cc(ccc1F)c2c3ccc(N)cc3oc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M08 compound treatment 0.414 -0.0155 -0.49 0.263 -0.0748 -2.22 -1.9121 -0.8424 3584987 YTC2.1-F_000278 CCNc1ccc2c(c3ccc(OC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M09 compound treatment 0.439 0.0095 0.3 0.3 -0.0378 -1.12 -0.5811 -0.5011 3574393 YTC2.1-F_000279 CN(C)c1ccc2c(c3ccc(F)c(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M10 compound treatment 0.417 -0.0125 -0.39 0.3 -0.0378 -1.12 -1.0702 -0.9013 3584989 YTC2.1-F_000280 CCNc1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M11 compound treatment 0.447 0.0175 0.55 0.31 -0.0278 -0.82 -0.1937 -0.1954 3574397 YTC2.1-F_000281 CN(C)c1ccc2c(c3cccc(Cl)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M12 compound treatment 0.417 -0.0125 -0.39 0.316 -0.0218 -0.65 -0.735 -0.9716 3584991 YTC2.1-F_000282 CCNc1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M13 compound treatment 0.435 0.0055 0.17 0.319 -0.0188 -0.56 -0.2719 -0.4658 3584847 YTC2.1-F_000283 CN(C)c1ccc2c(c3cccc(CN4CCCCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M14 compound treatment 0.408 -0.0215 -0.68 0.315 -0.0228 -0.68 -0.956 -1.0 3584994 YTC2.1-F_000284 CSc1ccc(cc1)c2c3ccc(N)cc3sc4cc(=N)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M15 compound treatment 0.484 0.0545 1.71 0.374 0.0362 1.07 1.97 0.9745 3574405 YTC2.1-F_000285 CSc1ccc(cc1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M16 compound treatment 0.426 -0.0035 -0.11 0.3 -0.0378 -1.12 -0.8701 -0.7728 3584996 YTC2.1-F_000286 Nc1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M17 compound treatment 0.482 0.0525 1.65 0.382 0.0442 1.31 2.0931 0.9934 3574409 YTC2.1-F_000287 Clc1cccc(c1)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M18 compound treatment 0.436 0.0065 0.2 0.325 -0.0128 -0.38 -0.1239 -0.2874 3584998 YTC2.1-F_000288 Nc1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M19 compound treatment 0.451 0.0215 0.68 0.324 -0.0138 -0.41 0.1886 0.2387 3574413 YTC2.1-F_000289 CN(C)c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M20 compound treatment 0.476 0.0465 1.46 0.388 0.0502 1.49 2.0854 1.0 3585000 YTC2.1-F_000290 CC1=CC(C)(C)Nc2ccc3c(c4cc(C)cc(C)c4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M21 compound treatment 0.415 -0.0145 -0.46 0.362 0.0242 0.72 0.1844 0.2171 3574417 YTC2.1-F_000291 CN(C)c1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M22 compound treatment 0.441 0.0115 0.36 0.429 0.0912 2.7 2.1663 0.7947 3585002 YTC2.1-F_000292 COc1c(C)cc(cc1C)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M23 mock treatment 0.433 0.0035 0.11 0.532 0.194 5.75 4.1466 0.7205 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 M24 mock treatment 0.45 0.0205 0.64 0.548 0.21 6.23 4.8598 0.7761 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N01 compound treatment 0.486 0.0565 1.78 0.314 -0.0238 -0.71 0.7573 0.3962 3585270 YTC2.1-F_000293 CCN(CC)c1ccc2c(c3ccc(OC)cc3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N02 compound treatment 0.455 0.0255 0.8 0.291 -0.0468 -1.39 -0.4139 -0.2583 3585272 YTC2.1-F_000294 CCN(CCCN(C)C)c1ccc2c(c3cc(F)c(F)c(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N03 compound treatment 0.5 0.0705 2.22 0.329 -0.00881 -0.26 1.3828 0.6195 3585152 YTC2.1-F_000295 CCCCN(CCCC)c1ccc2c(c3ccc(cc3)N(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N04 compound treatment 0.478 0.0485 1.53 0.331 -0.00681 -0.2 0.9356 0.6082 3585991 YTC2.1-F_000296 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N05 compound treatment 0.486 0.0565 1.78 0.307 -0.0308 -0.91 0.6106 0.3057 3585154 YTC2.1-F_000297 CCCCN(CCCC)c1ccc2c(c3ccccc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N06 compound treatment 0.445 0.0155 0.49 0.279 -0.0588 -1.74 -0.8877 -0.4905 3585993 YTC2.1-F_000298 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cccc(Cl)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N07 compound treatment 0.493 0.0635 2.0 0.302 -0.0358 -1.06 0.6615 0.2925 3585156 YTC2.1-F_000299 CCCCN(CCCC)c1ccc2c(c3ccc(CCC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N08 compound treatment 0.452 0.0225 0.71 0.317 -0.0208 -0.62 0.0642 0.0684 3585996 YTC2.1-F_000300 COc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N09 compound treatment 0.483 0.0535 1.68 0.326 -0.0118 -0.35 0.942 0.5482 3585158 YTC2.1-F_000301 CN1c2ccc3c(c4ccc5ccccc5c4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N10 compound treatment 0.48 0.0505 1.59 0.315 -0.0228 -0.68 0.6448 0.3736 3585997 YTC2.1-F_000302 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cc(C)cc(C)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N11 compound treatment 0.473 0.0435 1.37 0.326 -0.0118 -0.35 0.7197 0.5097 3585160 YTC2.1-F_000303 CN1c2ccc3c(c4cc(C)cc(C)c4)c5ccc(=N)cc5n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N12 compound treatment 0.473 0.0435 1.37 0.323 -0.0148 -0.44 0.6568 0.4572 3586000 YTC2.1-F_000304 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N13 compound treatment 0.491 0.0615 1.93 0.356 0.0182 0.54 1.7485 0.871 3585162 YTC2.1-F_000305 CCCc1ccc(cc1)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N14 compound treatment 0.466 0.0365 1.15 0.333 -0.00481 -0.14 0.7107 0.6145 3586002 YTC2.1-F_000306 Cc1cc(C)cc(c1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N15 compound treatment 0.48 0.0505 1.59 0.339 0.00119 0.04 1.1477 0.7226 3585164 YTC2.1-F_000307 CCN(CC)c1ccc2c(c3ccc(F)c(C)c3)c4ccc(N)cc4nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N16 compound treatment 0.472 0.0425 1.34 0.353 0.0152 0.45 1.2632 0.8958 3586004 YTC2.1-F_000308 N=C1C=CC(=C(c2cccs2)c3ccc(cc3)N4CCCC4)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N17 compound treatment 0.497 0.0675 2.12 0.309 -0.0288 -0.85 0.8971 0.3921 3585166 YTC2.1-F_000309 CCN(CCCN(C)C)c1ccc2c(c3ccc4cc(OC)ccc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N18 compound treatment 0.485 0.0555 1.75 0.312 -0.0258 -0.76 0.6931 0.3638 3586006 YTC2.1-F_000310 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc(cc4)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N19 compound treatment 0.465 0.0355 1.12 0.305 -0.0328 -0.97 0.1018 0.0688 3585169 YTC2.1-F_000311 CCN(CCCN(C)C)c1ccc2c(c3cc(C)c(OC)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N20 compound treatment 0.492 0.0625 1.97 0.334 -0.00381 -0.11 1.3097 0.6654 3586010 YTC2.1-F_000312 COc1c(C)cc(cc1C)/C(=c/2\ccc3=CC(=N)C=Cc3c2)/c4ccc(cc4)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N21 compound treatment 0.444 0.0145 0.46 0.349 0.0112 0.33 0.5568 0.9877 3585170 YTC2.1-F_000313 CC1=CC(C)(C)Nc2ccc3c(c4cccc(CN5CCCCC5)c4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N22 compound treatment 0.423 -0.0065 -0.2 0.356 0.0182 0.54 0.2366 0.4104 3585264 YTC2.1-F_000314 CCNc1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N23 mock treatment 0.425 -0.0045 -0.14 0.426 0.0882 2.61 1.7477 0.6678 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 N24 mock treatment 0.461 0.0315 0.99 0.348 0.0102 0.3 0.9138 0.8825 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O01 compound treatment 0.545 0.116 3.63 0.333 -0.00481 -0.14 2.4672 0.6788 3585276 YTC2.1-F_000315 CC1=CC(C)(C)Nc2ccc3c(=O)c4ccc(N)cc4oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O02 compound treatment 0.446 0.0165 0.52 0.304 -0.0338 -1.0 -0.3416 -0.3028 3585277 YTC2.1-F_000316 CC(C)(C)c1ccc(cc1)c2c3ccc(N)cc3oc4cc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O03 compound treatment 0.417 -0.0125 -0.39 0.291 -0.0468 -1.39 -1.2588 -0.8731 3574456 YTC2.1-F_000317 Nc1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O04 compound treatment 0.499 0.0695 2.19 0.345 0.00719 0.21 1.6959 0.7724 3585004 YTC2.1-F_000318 COc1c(C)cc(cc1C)c2c3ccc(cc3oc4cc(=N)ccc24)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O05 compound treatment 0.408 -0.0215 -0.68 0.292 -0.0458 -1.36 -1.4379 -0.9482 3574458 YTC2.1-F_000319 Nc1ccc2c(c3ccc4OCOc4c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O06 compound treatment 0.41 -0.0195 -0.61 0.295 -0.0428 -1.27 -1.3306 -0.9444 3585006 YTC2.1-F_000320 CN(C)c1ccc2c(c3ccc(C=O)cc3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O07 compound treatment 0.408 -0.0215 -0.68 0.282 -0.0558 -1.65 -1.6475 -0.9221 3574460 YTC2.1-F_000321 CN(C)c1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O08 compound treatment 0.413 -0.0165 -0.52 0.272 -0.0658 -1.95 -1.7458 -0.8651 3585008 YTC2.1-F_000322 CCNc1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O09 compound treatment 0.436 0.0065 0.2 0.291 -0.0468 -1.39 -0.8363 -0.5965 3574462 YTC2.1-F_000323 CN(C)c1ccc2c(c3cc4ccccc4c5ccccc35)c6ccc(=N)cc6oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O10 compound treatment 0.427 -0.0025 -0.08 0.304 -0.0338 -1.0 -0.764 -0.7602 3585010 YTC2.1-F_000324 CCNc1ccc2c(c3cccc(F)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O11 compound treatment 0.436 0.0065 0.2 0.316 -0.0218 -0.65 -0.3125 -0.461 3574464 YTC2.1-F_000325 CN(C)c1ccc2c(c3ccc(C=O)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O12 compound treatment 0.425 -0.0045 -0.14 0.293 -0.0448 -1.33 -1.039 -0.7781 3585012 YTC2.1-F_000326 CCNc1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O13 compound treatment 0.448 0.0185 0.58 0.361 0.0232 0.69 0.8972 0.9966 3574466 YTC2.1-F_000327 CN(C)c1ccc2c(c3ccc(CN4CCCCC4)cc3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O14 compound treatment 0.449 0.0195 0.61 0.326 -0.0118 -0.35 0.1861 0.2635 3585014 YTC2.1-F_000328 Nc1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O15 compound treatment 0.533 0.103 3.25 0.379 0.0412 1.22 3.1642 0.9104 3574468 YTC2.1-F_000329 N=c1ccc2c(c3ccc(cc3)c4ccccc4)c5ccc(cc5oc2c1)N6CCCCC6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O16 compound treatment 0.443 0.0135 0.42 0.309 -0.0288 -0.85 -0.3035 -0.3184 3585017 YTC2.1-F_000330 Nc1ccc2c(c3cccc(Cl)c3)c4ccc(=N)cc4sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O17 compound treatment 0.421 -0.0085 -0.27 0.296 -0.0418 -1.24 -1.0651 -0.8403 3574470 YTC2.1-F_000331 N=c1ccc2c(c3ccc(C=O)cc3)c4ccc(cc4oc2c1)N5CCCCC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O18 compound treatment 0.405 -0.0245 -0.77 0.318 -0.0198 -0.59 -0.9599 -0.991 3585018 YTC2.1-F_000332 CC1=CC(C)(C)Nc2ccc3c(c4ccc(F)cc4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O19 compound treatment 0.419 -0.0105 -0.33 0.322 -0.0158 -0.47 -0.5648 -0.9853 3574472 YTC2.1-F_000333 CN(C)c1ccc2c(c3ccc4ccccc4c3)c5ccc(=N)cc5n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O20 compound treatment 0.391 -0.0385 -1.21 0.341 0.00319 0.09 -0.7892 -0.65 3585021 YTC2.1-F_000334 COc1cccc(c1)c2c3ccc(=N)cc3oc4c5C(=CC(C)(C)Nc5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O21 compound treatment 0.427 -0.0025 -0.08 0.383 0.0452 1.34 0.8912 0.6644 3574474 YTC2.1-F_000335 CN(C)c1ccc2c(c3cccc(Cl)c3)c4ccc(=N)cc4n(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O22 compound treatment 0.444 0.0145 0.46 0.335 -0.00281 -0.08 0.2635 0.5684 3585023 YTC2.1-F_000336 CC1=CC(C)(C)Nc2ccc3c(c4ccc(F)c(C)c4)c5ccc(=N)cc5oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O23 mock treatment 0.449 0.0195 0.61 0.382 0.0442 1.31 1.3594 0.9402 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 O24 mock treatment 0.446 0.0165 0.52 0.358 0.0202 0.6 0.7898 0.9975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P01 compound treatment 0.538 0.109 3.41 0.32 -0.0178 -0.53 2.0392 0.5907 3585278 YTC2.1-F_000337 CCN(CC)c1ccc2c(c3ccc(Oc4ccccc4)cc3)c5ccc(N)cc5nc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P02 compound treatment 0.464 0.0345 1.08 0.28 -0.0578 -1.71 -0.4443 -0.2191 3585280 YTC2.1-F_000338 CCN(CCCN(C)C)c1ccc2c(c3cccs3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P03 compound treatment 0.562 0.133 4.17 0.337 -8.12E-4 -0.02 2.929 0.703 3585173 YTC2.1-F_000339 CCCCN(CCCC)c1ccc2c(c3ccc(OC)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P04 compound treatment 0.505 0.0755 2.37 0.308 -0.0298 -0.88 1.054 0.4161 3586014 YTC2.1-F_000340 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3cc4ccccc4c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P05 compound treatment 0.544 0.115 3.6 0.348 0.0102 0.3 2.7592 0.7637 3585175 YTC2.1-F_000341 CCCCN(CCCC)c1ccc2c(c3cc(C)cc(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P06 compound treatment 0.445 0.0155 0.49 0.28 -0.0578 -1.71 -0.8667 -0.4866 3586016 YTC2.1-F_000342 Cc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P07 compound treatment 0.526 0.0965 3.03 0.311 -0.0268 -0.79 1.5838 0.5049 3585177 YTC2.1-F_000343 CCCCN(CCCC)c1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(=N)cc5oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P08 compound treatment 0.525 0.0955 3.0 0.328 -0.00981 -0.29 1.9177 0.6357 3586018 YTC2.1-F_000344 CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Oc4ccccc4)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P09 compound treatment 0.554 0.125 3.91 0.322 -0.0158 -0.47 2.4368 0.6181 3585179 YTC2.1-F_000345 CSc1ccc(cc1)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P10 compound treatment 0.501 0.0715 2.25 0.313 -0.0248 -0.74 1.0698 0.4523 3586020 YTC2.1-F_000346 COc1cccc(c1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P11 compound treatment 0.514 0.0845 2.66 0.334 -0.00381 -0.11 1.7989 0.6764 3585181 YTC2.1-F_000347 COc1cccc(c1)c2c3ccc(=N)cc3n(C)c4c5C(=CC(C)(C)N(C)c5ccc24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P12 compound treatment 0.502 0.0725 2.28 0.351 0.0132 0.39 1.8883 0.8164 3586022 YTC2.1-F_000348 COc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P13 compound treatment 0.503 0.0735 2.31 0.339 0.00119 0.04 1.6591 0.7178 3585183 YTC2.1-F_000349 CN1c2ccc3c(c4cccc(CN5CCOCC5)c4)c6ccc(=N)cc6n(C)c3c2C(=CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P14 compound treatment 0.51 0.0805 2.53 0.354 0.0162 0.48 2.129 0.8264 3586024 YTC2.1-F_000350 COc1cccc(c1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P15 compound treatment 0.512 0.0825 2.59 0.354 0.0162 0.48 2.1735 0.8239 3585185 YTC2.1-F_000351 CCN(CCCN(C)C)c1ccc2c(c3ccc(F)cc3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P16 compound treatment 0.525 0.0955 3.0 0.345 0.00719 0.21 2.2739 0.7554 3586092 YTC2.1-F_000352 CCCc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N4CCCC4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P17 compound treatment 0.521 0.0915 2.88 0.325 -0.0128 -0.38 1.7659 0.6085 3585188 YTC2.1-F_000353 CCN(CCCN(C)C)c1ccc2c(c3ccc(cc3)C(C)(C)C)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P18 compound treatment 0.507 0.0775 2.44 0.34 0.00219 0.06 1.769 0.7257 3586094 YTC2.1-F_000354 COc1ccc2cc(ccc2c1)/C(=c/3\ccc4=CC(=N)C=Cc4c3)/c5ccc(cc5)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P19 compound treatment 0.515 0.0855 2.69 0.334 -0.00381 -0.11 1.8211 0.6768 3585190 YTC2.1-F_000355 CCN(CCCN(C)C)c1ccc2c(c3ccc(F)c(C)c3)c4ccc(=N)cc4oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P20 compound treatment 0.514 0.0845 2.66 0.335 -0.00281 -0.08 1.8198 0.6846 3586098 YTC2.1-F_000356 CN(C)c1ccc(cc1)/C(=c\2/ccc3=CC(=N)C=Cc3c2)/c4ccc(F)c(C)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P21 compound treatment 0.449 0.0195 0.61 0.339 0.00119 0.04 0.4584 0.7465 3585192 YTC2.1-F_000357 CC1=CC(C)(C)Nc2ccc3c(c4ccc(CN5CCCCC5)cc4)c6ccc(=N)cc6oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P22 compound treatment 0.478 0.0485 1.53 0.368 0.0302 0.89 1.7109 0.9677 3585273 YTC2.1-F_000358 Nc1ccc2c(c3cccc(CN4CCOCC4)c3)c5ccc(=N)cc5sc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P23 mock treatment 0.441 0.0115 0.36 0.305 -0.0328 -0.97 -0.4318 -0.4163 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2285 P24 mock treatment 0.48 0.0505 1.59 0.438 0.1 2.97 3.222 0.957 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A01 compound treatment 0.452 0.0366 1.15 0.537 0.122 3.62 3.3748 0.888 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A02 compound treatment 0.45 0.0346 1.09 0.445 0.0302 0.9 1.4026 0.9954 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A03 compound treatment 0.464 0.0486 1.53 0.469 0.0542 1.61 2.2168 0.9997 3552049 ACon1_000003 C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)C3C(=C(C)[C@H]1O)C(=O)[C@H]4O[C@]43C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A04 compound treatment 0.426 0.0106 0.33 0.426 0.0112 0.33 0.4709 1.0 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A05 compound treatment 0.446 0.0306 0.96 0.429 0.0142 0.42 0.9785 0.9315 3559511 ACon1_000005 COC(=O)CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CCC12)C=C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A06 compound treatment 0.462 0.0466 1.47 0.457 0.0422 1.25 1.9209 0.9969 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A07 compound treatment 0.451 0.0356 1.12 0.453 0.0382 1.13 1.5925 1.0 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A08 compound treatment 0.44 0.0246 0.77 0.441 0.0262 0.78 1.0965 1.0 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A09 compound treatment 0.462 0.0466 1.47 0.456 0.0412 1.22 1.8999 0.9959 3559537 ACon1_000009 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]3(C)[C@@H](O)[C@@H](O)CC13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A10 compound treatment 0.44 0.0246 0.77 0.435 0.0202 0.6 0.9708 0.9921 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A11 compound treatment 0.435 0.0196 0.62 0.44 0.0252 0.75 0.9644 0.9954 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A12 compound treatment 0.477 0.0616 1.94 0.476 0.0612 1.81 2.6525 0.9995 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A13 mock treatment 0.437 0.0216 0.68 0.441 0.0262 0.78 1.0298 0.9977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A14 mock treatment 0.429 0.0136 0.43 0.424 0.00923 0.27 0.4957 0.9768 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A15 compound treatment 0.451 0.0356 1.12 0.45 0.0352 1.04 1.5296 0.9994 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A16 compound treatment 0.419 0.00359 0.11 0.424 0.00923 0.27 0.2734 0.9235 3553257 ACon1_000014 CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(=O)C)NC(=O)C(CCCN(O)C(=O)C)NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A17 compound treatment 0.449 0.0336 1.06 0.432 0.0172 0.51 1.108 0.9444 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A18 compound treatment 0.415 -4.06E-4 -0.01 0.418 0.00323 0.1 0.0587 0.6075 3558773 ACon1_000016 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A19 compound treatment 0.44 0.0246 0.77 0.437 0.0222 0.66 1.0127 0.9968 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A20 compound treatment 0.537 0.122 3.82 0.524 0.109 3.24 4.9923 0.9966 3558449 ACon1_000018 C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A21 compound treatment 0.429 0.0136 0.43 0.373 -0.0418 -1.24 -0.5729 -0.4375 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A22 compound treatment 0.419 0.00359 0.11 0.421 0.00623 0.18 0.2105 0.9722 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A23 compound treatment 0.494 0.0786 2.47 0.417 0.00223 0.07 1.7943 0.7258 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 A24 compound treatment 0.411 -0.00441 -0.14 0.43 0.0152 0.45 0.2212 0.4685 3559348 ACon1_000022 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2COC(=O)C3(O)C=CCCC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B01 compound treatment 0.462 0.0466 1.47 0.454 0.0392 1.16 1.858 0.9934 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B02 compound treatment 0.423 0.00759 0.24 0.422 0.00723 0.21 0.3204 0.9986 3555955 ACon1_000024 OCC(=C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)C(=C)CO)C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B03 compound treatment 0.382 -0.0334 -1.05 0.386 -0.0288 -0.85 -1.3455 -0.9946 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B04 compound treatment 0.405 -0.0104 -0.33 0.41 -0.00477 -0.14 -0.3312 -0.9294 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B05 compound treatment 0.381 -0.0344 -1.08 0.387 -0.0278 -0.82 -1.3467 -0.9909 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B06 compound treatment 0.382 -0.0334 -1.05 0.379 -0.0358 -1.06 -1.4921 -1.0 3614336 ACon1_000028 CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O)O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B07 compound treatment 0.395 -0.0204 -0.64 0.394 -0.0208 -0.62 -0.8888 -0.9998 3557846 ACon1_000029 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B08 compound treatment 0.4 -0.0154 -0.48 0.39 -0.0248 -0.73 -0.8614 -0.9797 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B09 compound treatment 0.422 0.00659 0.21 0.407 -0.00777 -0.23 -0.0161 -0.052 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B10 compound treatment 0.395 -0.0204 -0.64 0.389 -0.0258 -0.76 -0.9936 -0.9963 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B11 compound treatment 0.418 0.00259 0.08 0.415 2.34E-4 0.01 0.0626 0.7646 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B12 compound treatment 0.427 0.0116 0.36 0.425 0.0102 0.3 0.4722 0.9958 3559288 ACon1_000034 CC1OC(OC2C(O)C(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@@]56CCC(C)(C)CC6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC5)[C@H](O)[C@@H]3O)OCC2O[C@H]%11OC[C@](O)(CO)[C@H]%11O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B13 mock treatment 0.389 -0.0264 -0.83 0.386 -0.0288 -0.85 -1.1898 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B14 mock treatment 0.391 -0.0244 -0.77 0.383 -0.0318 -0.94 -1.2082 -0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B15 compound treatment 0.429 0.0136 0.43 0.41 -0.00477 -0.14 0.2024 0.4496 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B16 compound treatment 0.416 5.94E-4 0.02 0.399 -0.0158 -0.47 -0.3171 -0.6783 3554649 ACon1_000036 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(CO)CN4CCCC4C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B17 compound treatment 0.381 -0.0344 -1.08 1.266 0.851 25.22 17.0707 0.6762 3559460 ACon1_000037 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B18 compound treatment 0.404 -0.0114 -0.36 0.389 -0.0258 -0.76 -0.7935 -0.9407 3557695 ACon1_000038 COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B19 compound treatment 0.388 -0.0274 -0.86 0.392 -0.0228 -0.67 -1.0863 -0.9927 3558409 ACon1_000039 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B20 compound treatment 0.408 -0.00741 -0.23 0.381 -0.0338 -1.0 -0.8722 -0.849 3557530 ACon1_000040 COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B21 compound treatment 0.392 -0.0234 -0.74 0.413 -0.00177 -0.05 -0.5574 -0.7555 3559391 ACon1_000041 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(CO)Cc4cc(OC)c(O)c(O)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B22 compound treatment 0.383 -0.0324 -1.02 0.384 -0.0308 -0.91 -1.3651 -0.9985 3557713 ACon1_000042 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(=O)C)C3=C2)C6=CC(=O)OC6)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B23 compound treatment 0.426 0.0106 0.33 0.447 0.0322 0.96 0.9109 0.9005 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 B24 compound treatment 0.446 0.0306 0.96 0.4 -0.0148 -0.44 0.3708 0.3509 3557636 ACon1_000044 OC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C01 compound treatment 0.469 0.0536 1.69 0.472 0.0572 1.7 2.3908 1.0 3558824 ACon1_000045 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C02 compound treatment 0.413 -0.00241 -0.08 0.411 -0.00377 -0.11 -0.1324 -0.9821 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C03 compound treatment 0.454 0.0386 1.21 0.467 0.0522 1.55 1.9525 0.9928 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C04 compound treatment 0.43 0.0146 0.46 0.433 0.0182 0.54 0.7065 0.9967 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C05 compound treatment 0.405 -0.0104 -0.33 0.398 -0.0168 -0.5 -0.5827 -0.9795 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C06 compound treatment 0.406 -0.00941 -0.3 0.401 -0.0138 -0.41 -0.4976 -0.9875 3559371 ACon1_000050 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C07 compound treatment 0.47 0.0546 1.72 0.476 0.0612 1.81 2.4969 0.9996 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C08 compound treatment 0.411 -0.00441 -0.14 0.406 -0.00877 -0.26 -0.2816 -0.9567 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C09 compound treatment 0.411 -0.00441 -0.14 0.401 -0.0138 -0.41 -0.3864 -0.897 3553479 ACon1_000053 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C10 compound treatment 0.395 -0.0204 -0.64 0.401 -0.0138 -0.41 -0.7421 -0.9761 3553171 ACon1_000054 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C11 mock treatment 0.406 -0.00941 -0.3 0.405 -0.00977 -0.29 -0.4138 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C12 mock treatment 0.408 -0.00741 -0.23 0.407 -0.00777 -0.23 -0.3274 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C13 compound treatment 0.409 -0.00641 -0.2 0.414 -7.66E-4 -0.02 -0.1585 -0.7818 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C14 compound treatment 0.403 -0.0124 -0.39 0.397 -0.0178 -0.53 -0.6481 -0.9891 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C15 mock treatment 0.405 -0.0104 -0.33 0.406 -0.00877 -0.26 -0.415 -0.9935 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C16 mock treatment 0.403 -0.0124 -0.39 0.406 -0.00877 -0.26 -0.4595 -0.9805 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C17 compound treatment 0.422 0.00659 0.21 0.419 0.00423 0.13 0.2353 0.9711 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C18 compound treatment 0.405 -0.0104 -0.33 0.409 -0.00577 -0.17 -0.3522 -0.9541 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C19 compound treatment 0.446 0.0306 0.96 0.429 0.0142 0.42 0.9785 0.9315 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C20 compound treatment 0.478 0.0626 1.97 0.436 0.0212 0.63 1.8366 0.8888 3559829 ACon1_000060 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C21 compound treatment 0.409 -0.00641 -0.2 0.46 0.0452 1.34 0.8053 0.5942 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C22 compound treatment 0.417 0.00159 0.05 0.408 -0.00677 -0.2 -0.1063 -0.5145 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C23 compound treatment 0.429 0.0136 0.43 0.453 0.0382 1.13 1.1034 0.9112 3559675 ACon1_000063 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 C24 compound treatment 0.436 0.0206 0.65 0.477 0.0622 1.84 1.7619 0.9014 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D01 compound treatment 0.448 0.0326 1.02 0.459 0.0442 1.31 1.6515 0.9926 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D02 compound treatment 0.428 0.0126 0.4 0.427 0.0122 0.36 0.5364 0.999 3559481 ACon1_000066 C/C/1=C\[C@H]2OC(=O)C(=C)C2[C@@H](C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D03 compound treatment 0.407 -0.00841 -0.26 0.41 -0.00477 -0.14 -0.2868 -0.9569 3558310 ACon1_000067 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D04 compound treatment 0.425 0.00959 0.3 0.438 0.0232 0.69 0.7001 0.9314 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D05 compound treatment 0.403 -0.0124 -0.39 0.413 -0.00177 -0.05 -0.3128 -0.7948 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D06 compound treatment 0.423 0.00759 0.24 0.414 -7.66E-4 -0.02 0.1528 0.6371 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D07 compound treatment 0.407 -0.00841 -0.26 0.41 -0.00477 -0.14 -0.2868 -0.9569 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D08 compound treatment 0.458 0.0426 1.34 0.447 0.0322 0.96 1.6224 0.9863 3554888 ACon1_000072 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6OCC(O)(CO)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D09 compound treatment 0.451 0.0356 1.12 0.422 0.00723 0.21 0.943 0.8275 3558155 ACon1_000073 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D10 compound treatment 0.402 -0.0134 -0.42 0.412 -0.00277 -0.08 -0.356 -0.8291 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D11 mock treatment 0.405 -0.0104 -0.33 0.399 -0.0158 -0.47 -0.5617 -0.9848 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D12 mock treatment 0.405 -0.0104 -0.33 0.401 -0.0138 -0.41 -0.5198 -0.994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D13 compound treatment 0.428 0.0126 0.4 0.438 0.0232 0.69 0.7668 0.9655 1251 ACon1_000075 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D14 compound treatment 0.413 -0.00241 -0.08 0.415 2.34E-4 0.01 -0.0486 -0.6395 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D15 mock treatment 0.4 -0.0154 -0.48 0.397 -0.0178 -0.53 -0.7148 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D16 mock treatment 0.419 0.00359 0.11 0.408 -0.00677 -0.2 -0.0619 -0.2688 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D17 compound treatment 0.407 -0.00841 -0.26 0.413 -0.00177 -0.05 -0.2239 -0.8309 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D18 compound treatment 0.406 -0.00941 -0.3 0.405 -0.00977 -0.29 -0.4138 -0.9999 3557697 ACon1_000078 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D19 compound treatment 0.404 -0.0114 -0.36 0.406 -0.00877 -0.26 -0.4373 -0.9874 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D20 compound treatment 0.434 0.0186 0.58 0.434 0.0192 0.57 0.8164 0.9999 3554651 ACon1_000080 COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D21 compound treatment 0.387 -0.0284 -0.89 0.38 -0.0348 -1.03 -1.36 -0.9975 3558580 ACon1_000081 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D22 compound treatment 0.447 0.0316 0.99 0.45 0.0352 1.04 1.4407 0.9997 3557892 ACon1_000082 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](OC(=O)C)[C@](O)(COC(=O)C)[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D23 compound treatment 0.394 -0.0214 -0.67 0.403 -0.0118 -0.35 -0.7225 -0.9531 3559584 ACon1_000083 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(CC3=CC[C@H]12)C(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 D24 compound treatment 0.434 0.0186 0.58 0.434 0.0192 0.57 0.8164 0.9999 3554996 ACon1_000084 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]6(C)CCC34)C6=O)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E01 mock treatment 0.447 0.0316 0.99 0.449 0.0342 1.01 1.4198 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E02 mock treatment 0.425 0.00959 0.3 0.424 0.00923 0.27 0.4068 0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E03 compound treatment 0.407 -0.00841 -0.26 0.409 -0.00577 -0.17 -0.3077 -0.9777 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E04 compound treatment 0.435 0.0196 0.62 0.443 0.0282 0.84 1.0272 0.9887 687 ACon1_000086 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E05 compound treatment 0.413 -0.00241 -0.08 0.42 0.00523 0.16 0.0562 0.3255 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E06 compound treatment 0.405 -0.0104 -0.33 0.41 -0.00477 -0.14 -0.3312 -0.9294 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E07 compound treatment 0.407 -0.00841 -0.26 0.407 -0.00777 -0.23 -0.3496 -0.9976 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E08 compound treatment 0.427 0.0116 0.36 0.427 0.0122 0.36 0.5141 1.0 3557755 ACon1_000090 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E09 mock treatment 0.41 -0.00541 -0.17 0.411 -0.00377 -0.11 -0.1991 -0.9792 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E10 mock treatment 0.406 -0.00941 -0.3 0.403 -0.0118 -0.35 -0.4557 -0.9967 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E11 compound treatment 0.446 0.0306 0.96 0.43 0.0152 0.45 0.9994 0.9405 3559616 ACon1_000091 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E12 compound treatment 0.412 -0.00341 -0.11 0.405 -0.00977 -0.29 -0.2804 -0.9086 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E13 compound treatment 0.415 -4.06E-4 -0.01 0.416 0.00123 0.04 0.0168 0.4344 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E14 compound treatment 0.427 0.0116 0.36 0.428 0.0132 0.39 0.5351 0.9993 3555904 ACon1_000094 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(O)(Cc4ccc(O)cc4)C(=O)c32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E15 compound treatment 0.401 -0.0144 -0.45 0.413 -0.00177 -0.05 -0.3573 -0.7836 3554527 ACon1_000095 COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E16 compound treatment 0.399 -0.0164 -0.52 0.401 -0.0138 -0.41 -0.6532 -0.9932 3558041 ACon1_000096 O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E17 mock treatment 0.412 -0.00341 -0.11 0.404 -0.0108 -0.32 -0.3013 -0.8954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E18 mock treatment 0.401 -0.0144 -0.45 0.407 -0.00777 -0.23 -0.483 -0.9507 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E19 compound treatment 0.398 -0.0174 -0.55 0.404 -0.0108 -0.32 -0.6126 -0.967 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E20 compound treatment 0.399 -0.0164 -0.52 0.399 -0.0158 -0.47 -0.6951 -0.9988 3554687 ACon1_000098 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E21 compound treatment 0.403 -0.0124 -0.39 0.399 -0.0158 -0.47 -0.6062 -0.996 3553328 ACon1_000099 CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@]3(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E22 compound treatment 0.406 -0.00941 -0.3 0.4 -0.0148 -0.44 -0.5185 -0.9818 3559845 ACon1_000100 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E23 compound treatment 0.417 0.00159 0.05 0.424 0.00923 0.27 0.2289 0.8229 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 E24 compound treatment 0.43 0.0146 0.46 0.427 0.0122 0.36 0.5808 0.9932 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F01 mock treatment 0.443 0.0276 0.87 0.437 0.0222 0.66 1.0794 0.9908 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F02 mock treatment 0.429 0.0136 0.43 0.424 0.00923 0.27 0.4957 0.9768 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F03 compound treatment 0.43 0.0146 0.46 0.44 0.0252 0.75 0.8532 0.9725 3557765 ACon1_000103 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F04 compound treatment 0.428 0.0126 0.4 0.439 0.0242 0.72 0.7878 0.9607 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F05 compound treatment 0.417 0.00159 0.05 0.418 0.00323 0.1 0.1032 0.9543 3557685 ACon1_000105 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F06 compound treatment 0.411 -0.00441 -0.14 0.425 0.0102 0.3 0.1165 0.3493 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F07 compound treatment 0.436 0.0206 0.65 0.442 0.0272 0.81 1.0285 0.994 3558903 ACon1_000107 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F08 compound treatment 0.424 0.00859 0.27 0.414 -7.66E-4 -0.02 0.175 0.6455 3557773 ACon1_000108 COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F09 mock treatment 0.422 0.00659 0.21 0.426 0.0112 0.33 0.382 0.974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F10 mock treatment 0.401 -0.0144 -0.45 0.413 -0.00177 -0.05 -0.3573 -0.7836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F11 compound treatment 0.433 0.0176 0.55 0.433 0.0182 0.54 0.7732 0.9999 3559308 ACon1_000109 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F12 compound treatment 0.42 0.00459 0.14 0.421 0.00623 0.18 0.2328 0.9926 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F13 compound treatment 0.414 -0.00141 -0.04 0.416 0.00123 0.04 -0.0054 -0.0942 3559144 ACon1_000111 CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC43C)C2C1(C)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F14 compound treatment 0.42 0.00459 0.14 0.432 0.0172 0.51 0.4632 0.8729 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F15 compound treatment 0.424 0.00859 0.27 0.427 0.0122 0.36 0.4474 0.9895 3552812 ACon1_000113 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F16 compound treatment 0.422 0.00659 0.21 0.425 0.0102 0.3 0.361 0.9828 3557622 ACon1_000114 COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F17 mock treatment 0.414 -0.00141 -0.04 0.421 0.00623 0.18 0.0994 0.5231 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F18 mock treatment 0.415 -4.06E-4 -0.01 0.418 0.00323 0.1 0.0587 0.6075 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F19 compound treatment 0.413 -0.00241 -0.08 0.416 0.00123 0.04 -0.0276 -0.3289 3552693 ACon1_000115 C[C@@H]1CC[C@@]2(CC[C@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@@]3(C)[C@@H]2[C@H]1C)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F20 compound treatment 0.422 0.00659 0.21 0.42 0.00523 0.16 0.2563 0.9898 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F21 compound treatment 0.403 -0.0124 -0.39 0.405 -0.00977 -0.29 -0.4805 -0.9892 3559078 ACon1_000117 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F22 compound treatment 0.502 0.0866 2.72 0.476 0.0612 1.81 3.2083 0.9805 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F23 compound treatment 0.4 -0.0154 -0.48 0.392 -0.0228 -0.67 -0.8195 -0.9868 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 F24 compound treatment 0.485 0.0696 2.19 0.459 0.0442 1.31 2.4742 0.97 3614339 ACon1_000120 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G01 compound treatment 0.434 0.0186 0.58 0.437 0.0222 0.66 0.8793 0.9982 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G02 compound treatment 0.417 0.00159 0.05 0.418 0.00323 0.1 0.1032 0.9543 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G03 mock treatment 0.414 -0.00141 -0.04 0.415 2.34E-4 0.01 -0.0264 -0.5888 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G04 mock treatment 0.391 -0.0244 -0.77 0.395 -0.0198 -0.59 -0.9568 -0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G05 compound treatment 0.423 0.00759 0.24 0.431 0.0162 0.48 0.509 0.9478 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G06 compound treatment 0.421 0.00559 0.18 0.425 0.0102 0.3 0.3388 0.9664 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G07 compound treatment 0.398 -0.0174 -0.55 0.413 -0.00177 -0.05 -0.424 -0.7712 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G08 compound treatment 0.472 0.0566 1.78 0.478 0.0632 1.87 2.5832 0.9997 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G09 compound treatment 0.413 -0.00241 -0.08 0.415 2.34E-4 0.01 -0.0486 -0.6395 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G10 compound treatment 0.417 0.00159 0.05 0.416 0.00123 0.04 0.0613 0.988 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G11 compound treatment 0.426 0.0106 0.33 0.428 0.0132 0.39 0.5128 0.9967 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G12 compound treatment 0.467 0.0516 1.62 0.454 0.0392 1.16 1.9692 0.9866 3554892 ACon1_000130 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G13 compound treatment 0.457 0.0416 1.31 0.444 0.0292 0.87 1.5373 0.98 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G14 compound treatment 0.43 0.0146 0.46 0.432 0.0172 0.51 0.6856 0.9986 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G15 compound treatment 0.452 0.0366 1.15 0.449 0.0342 1.01 1.5309 0.998 3559582 ACon1_000133 CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G16 compound treatment 0.414 -0.00141 -0.04 0.418 0.00323 0.1 0.0365 0.3458 3552120 ACon1_000134 C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G17 compound treatment 0.428 0.0126 0.4 0.417 0.00223 0.07 0.3268 0.814 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G18 compound treatment 0.412 -0.00341 -0.11 0.41 -0.00477 -0.14 -0.1756 -0.9907 3559321 ACon1_000136 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G19 mock treatment 0.404 -0.0114 -0.36 0.398 -0.0168 -0.5 -0.6049 -0.9872 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G20 mock treatment 0.399 -0.0164 -0.52 0.406 -0.00877 -0.26 -0.5484 -0.9496 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G21 compound treatment 1.375 0.96 30.17 0.405 -0.00977 -0.29 21.1309 0.7003 3559673 ACon1_000137 CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@@H]21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G22 compound treatment 0.391 -0.0244 -0.77 0.392 -0.0228 -0.67 -1.0196 -0.9979 3557624 ACon1_000138 COc1ccc(/C=C/C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G23 compound treatment 0.437 0.0216 0.68 0.414 -7.66E-4 -0.02 0.4641 0.6831 895 ACon1_000139 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 G24 compound treatment 0.442 0.0266 0.84 0.428 0.0132 0.39 0.8686 0.9404 3551965 ACon1_000140 C/C(=C\CC[C@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H01 compound treatment 0.444 0.0286 0.9 0.45 0.0352 1.04 1.374 0.9972 3559838 ACon1_000141 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H02 compound treatment 0.417 0.00159 0.05 0.43 0.0152 0.45 0.3546 0.7808 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H03 mock treatment 0.397 -0.0184 -0.58 0.402 -0.0128 -0.38 -0.6767 -0.9788 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H04 mock treatment 0.419 0.00359 0.11 0.43 0.0152 0.45 0.3991 0.8576 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H05 compound treatment 0.407 -0.00841 -0.26 0.407 -0.00777 -0.23 -0.3496 -0.9976 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H06 compound treatment 0.408 -0.00741 -0.23 0.414 -7.66E-4 -0.02 -0.1807 -0.7723 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H07 compound treatment 0.441 0.0256 0.8 0.439 0.0242 0.72 1.0768 0.9984 3558770 ACon1_000145 Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H08 compound treatment 0.419 0.00359 0.11 0.424 0.00923 0.27 0.2734 0.9235 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H09 compound treatment 0.452 0.0366 1.15 0.461 0.0462 1.37 1.7824 0.9962 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H10 compound treatment 0.424 0.00859 0.27 0.423 0.00823 0.24 0.3636 0.9987 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H11 compound treatment 0.454 0.0386 1.21 0.434 0.0192 0.57 1.2611 0.9406 3557869 ACon1_000149 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H12 compound treatment 0.418 0.00259 0.08 0.416 0.00123 0.04 0.0835 0.9345 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H13 compound treatment 0.44 0.0246 0.77 0.438 0.0232 0.69 1.0336 0.9983 3553324 ACon1_000151 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C2(O)C=CCCC2=O)O[C@H]1Oc3ccccc3COC(=O)C4(O)C=CCCC4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H14 compound treatment 0.439 0.0236 0.74 0.433 0.0182 0.54 0.9066 0.9879 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H15 compound treatment 0.417 0.00159 0.05 0.415 2.34E-4 0.01 0.0403 0.7975 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H16 compound treatment 0.414 -0.00141 -0.04 0.411 -0.00377 -0.11 -0.1102 -0.9179 3557708 ACon1_000154 C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H17 compound treatment 0.421 0.00559 0.18 0.424 0.00923 0.27 0.3179 0.9772 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H18 compound treatment 0.432 0.0166 0.52 0.431 0.0162 0.48 0.7091 0.9992 3557644 ACon1_000156 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H19 mock treatment 0.406 -0.00941 -0.3 0.4 -0.0148 -0.44 -0.5185 -0.9818 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H20 mock treatment 0.413 -0.00241 -0.08 0.415 2.34E-4 0.01 -0.0486 -0.6395 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H21 compound treatment 0.407 -0.00841 -0.26 0.396 -0.0188 -0.56 -0.5801 -0.9422 3559541 ACon1_000157 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C(=C)[C@H](O)C[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H22 compound treatment 0.438 0.0226 0.71 0.427 0.0122 0.36 0.7587 0.9512 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H23 compound treatment 0.433 0.0176 0.55 0.426 0.0112 0.33 0.6266 0.9705 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 H24 compound treatment 0.479 0.0636 2.0 0.457 0.0422 1.25 2.2989 0.9745 3557750 ACon1_000160 O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I01 compound treatment 0.469 0.0536 1.69 0.469 0.0542 1.61 2.328 0.9997 3559527 ACon1_000161 CC1=CC[C@@H]2[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](CC2=C)OC(=O)/C(=C/CO)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I02 compound treatment 0.446 0.0306 0.96 0.45 0.0352 1.04 1.4185 0.9992 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I03 compound treatment 0.41 -0.00541 -0.17 0.436 0.0212 0.63 0.3247 0.4982 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I04 compound treatment 0.408 -0.00741 -0.23 0.402 -0.0128 -0.38 -0.4321 -0.9729 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I05 mock treatment 0.408 -0.00741 -0.23 0.411 -0.00377 -0.11 -0.2436 -0.9432 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I06 mock treatment 0.402 -0.0134 -0.42 0.416 0.00123 0.04 -0.2722 -0.6433 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I07 compound treatment 0.442 0.0266 0.84 0.443 0.0282 0.84 1.1829 1.0 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I08 compound treatment 0.441 0.0256 0.8 0.468 0.0532 1.58 1.6845 0.9512 3557649 ACon1_000166 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I09 compound treatment 0.391 -0.0244 -0.77 0.405 -0.00977 -0.29 -0.7473 -0.9111 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I10 compound treatment 0.403 -0.0124 -0.39 0.412 -0.00277 -0.08 -0.3338 -0.8374 3555603 ACon1_000168 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I11 compound treatment 0.414 -0.00141 -0.04 0.411 -0.00377 -0.11 -0.1102 -0.9179 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I12 compound treatment 0.407 -0.00841 -0.26 0.405 -0.00977 -0.29 -0.3915 -0.999 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I13 compound treatment 0.417 0.00159 0.05 0.415 2.34E-4 0.01 0.0403 0.7975 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I14 compound treatment 0.305 -0.11 -3.47 0.304 -0.111 -3.28 -4.7756 -0.9996 3553879 ACon1_000172 CC1(C)O[C@H]2CC(=O)OC[C@]23C4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]65[C@]4(C)C(=O)C(=C13)O)c7ccoc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I15 compound treatment 0.413 -0.00241 -0.08 0.405 -0.00977 -0.29 -0.2581 -0.863 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I16 compound treatment 0.407 -0.00841 -0.26 0.416 0.00123 0.04 -0.161 -0.6035 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I17 compound treatment 0.421 0.00559 0.18 0.428 0.0132 0.39 0.4017 0.9346 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I18 compound treatment 0.408 -0.00741 -0.23 0.411 -0.00377 -0.11 -0.2436 -0.9432 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I19 compound treatment 0.419 0.00359 0.11 0.419 0.00423 0.13 0.1686 0.9986 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I20 compound treatment 0.42 0.00459 0.14 0.418 0.00323 0.1 0.1699 0.9801 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I21 mock treatment 0.397 -0.0184 -0.58 0.394 -0.0208 -0.62 -0.8443 -0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I22 mock treatment 0.407 -0.00841 -0.26 0.412 -0.00277 -0.08 -0.2449 -0.8848 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I23 compound treatment 0.408 -0.00741 -0.23 0.399 -0.0158 -0.47 -0.495 -0.9483 1539 ACon1_000179 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 I24 compound treatment 0.426 0.0106 0.33 0.427 0.0122 0.36 0.4919 0.9991 3559836 ACon1_000180 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J01 compound treatment 0.449 0.0336 1.06 0.448 0.0332 0.98 1.4433 0.9994 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J02 compound treatment 0.409 -0.00641 -0.2 0.415 2.34E-4 0.01 -0.1375 -0.6823 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J03 compound treatment 0.407 -0.00841 -0.26 0.403 -0.0118 -0.35 -0.4334 -0.9907 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J04 compound treatment 0.437 0.0216 0.68 0.437 0.0222 0.66 0.946 0.9999 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J05 mock treatment 0.41 -0.00541 -0.17 0.42 0.00523 0.16 -0.0105 -0.0457 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J06 mock treatment 0.415 -4.06E-4 -0.01 0.41 -0.00477 -0.14 -0.1089 -0.7679 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J07 compound treatment 0.405 -0.0104 -0.33 0.418 0.00323 0.1 -0.1636 -0.4798 3559346 ACon1_000185 C[C@H]1[C@H]2[C@H](CC3C4C[C@H](OC5OC(C)C(O)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5O)C7C[C@@H](O)CC[C@]7(C)C4CC[C@]23C)OC81OCC(C)CC8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J08 compound treatment 0.421 0.00559 0.18 0.428 0.0132 0.39 0.4017 0.9346 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J09 compound treatment 0.417 0.00159 0.05 0.44 0.0252 0.75 0.5642 0.7528 3554184 ACon1_000187 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J10 compound treatment 0.433 0.0176 0.55 0.429 0.0142 0.42 0.6894 0.991 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J11 compound treatment 0.495 0.0796 2.5 0.497 0.0822 2.44 3.4927 0.9999 3199169 ACon1_000189 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J12 compound treatment 0.44 0.0246 0.77 0.44 0.0252 0.75 1.0755 0.9999 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J13 compound treatment 0.462 0.0466 1.47 0.455 0.0402 1.19 1.879 0.9948 3552568 ACon1_000191 C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)C3CC[C@]12C)C6CC(=C(CO)C(=O)O6)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J14 compound treatment 0.422 0.00659 0.21 0.411 -0.00377 -0.11 0.0677 0.2876 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J15 compound treatment 0.427 0.0116 0.36 0.406 -0.00877 -0.26 0.0741 0.1656 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J16 compound treatment 0.446 0.0306 0.96 0.427 0.0122 0.36 0.9366 0.911 3557677 ACon1_000194 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J17 compound treatment 0.422 0.00659 0.21 0.42 0.00523 0.16 0.2563 0.9898 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J18 compound treatment 0.441 0.0256 0.8 0.444 0.0292 0.87 1.1816 0.9993 3557646 ACon1_000196 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J19 compound treatment 0.419 0.00359 0.11 0.419 0.00423 0.13 0.1686 0.9986 3559382 ACon1_000197 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J20 compound treatment 0.43 0.0146 0.46 0.417 0.00223 0.07 0.3713 0.8008 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J21 mock treatment 0.408 -0.00741 -0.23 0.407 -0.00777 -0.23 -0.3274 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J22 mock treatment 0.398 -0.0174 -0.55 0.414 -7.66E-4 -0.02 -0.4031 -0.7358 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J23 compound treatment 0.436 0.0206 0.65 0.426 0.0112 0.33 0.6933 0.9522 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 J24 compound treatment 0.454 0.0386 1.21 0.447 0.0322 0.96 1.5335 0.993 3557731 ACon1_000200 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occ(c4ccc(O)cc4)c(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K01 compound treatment 0.457 0.0416 1.31 0.472 0.0572 1.7 2.124 0.9918 3558170 ACon1_000201 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)\CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K02 compound treatment 0.427 0.0116 0.36 0.432 0.0172 0.51 0.6189 0.9863 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K03 compound treatment 0.455 0.0396 1.24 0.452 0.0372 1.1 1.6605 0.9982 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K04 compound treatment 0.414 -0.00141 -0.04 0.415 2.34E-4 0.01 -0.0264 -0.5888 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K05 compound treatment 0.492 0.0766 2.41 0.501 0.0862 2.56 3.5098 0.9996 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K06 compound treatment 0.529 0.114 3.57 0.526 0.111 3.3 4.8563 0.9992 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K07 mock treatment 0.42 0.00459 0.14 0.416 0.00123 0.04 0.128 0.859 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K08 mock treatment 0.426 0.0106 0.33 0.406 -0.00877 -0.26 0.0519 0.1228 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K09 compound treatment 0.432 0.0166 0.52 0.431 0.0162 0.48 0.7091 0.9992 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K10 compound treatment 0.459 0.0436 1.37 0.461 0.0462 1.37 1.938 1.0 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K11 compound treatment 0.455 0.0396 1.24 0.457 0.0422 1.25 1.7652 1.0 3054523 ACon1_000209 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K12 compound treatment 0.434 0.0186 0.58 0.414 -7.66E-4 -0.02 0.3974 0.6792 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K13 compound treatment 0.43 0.0146 0.46 0.424 0.00923 0.27 0.518 0.9695 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K14 compound treatment 0.404 -0.0114 -0.36 0.409 -0.00577 -0.17 -0.3744 -0.9425 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K15 mock treatment 0.42 0.00459 0.14 0.415 2.34E-4 0.01 0.107 0.7402 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K16 mock treatment 0.415 -4.06E-4 -0.01 0.414 -7.66E-4 -0.02 -0.0251 -0.9631 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K17 compound treatment 0.507 0.0916 2.88 0.463 0.0482 1.43 3.0471 0.9477 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K18 compound treatment 0.461 0.0456 1.43 0.435 0.0202 0.6 1.4377 0.9252 3557612 ACon1_000214 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K19 compound treatment 0.415 -4.06E-4 -0.01 0.419 0.00423 0.13 0.0797 0.6319 3559756 ACon1_000215 CC(=CCC[C@](C)(O)C1CC[C@]2(C)C1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K20 compound treatment 0.424 0.00859 0.27 0.424 0.00923 0.27 0.3846 1.0 3559323 ACon1_000216 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K21 compound treatment 0.404 -0.0114 -0.36 0.42 0.00523 0.16 -0.1439 -0.3683 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K22 compound treatment 0.472 0.0566 1.78 0.479 0.0642 1.9 2.6042 0.9994 3559843 ACon1_000218 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K23 mock treatment 0.415 -4.06E-4 -0.01 0.424 0.00923 0.27 0.1845 0.6734 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 K24 mock treatment 0.437 0.0216 0.68 0.438 0.0232 0.69 0.9669 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L01 compound treatment 0.449 0.0336 1.06 0.448 0.0332 0.98 1.4433 0.9994 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L02 compound treatment 0.463 0.0476 1.5 0.463 0.0482 1.43 2.0688 0.9997 3559553 ACon1_000220 C/C=C(\C)/C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C)[C@H]1C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L03 compound treatment 0.457 0.0416 1.31 0.46 0.0452 1.34 1.8726 0.9999 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L04 compound treatment 0.405 -0.0104 -0.33 0.418 0.00323 0.1 -0.1636 -0.4798 3559775 ACon1_000222 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L05 compound treatment 0.471 0.0556 1.75 0.469 0.0542 1.61 2.3724 0.9991 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L06 compound treatment 0.409 -0.00641 -0.2 0.408 -0.00677 -0.2 -0.2842 -1.0 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L07 mock treatment 0.408 -0.00741 -0.23 0.42 0.00523 0.16 -0.055 -0.1966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L08 mock treatment 0.412 -0.00341 -0.11 0.403 -0.0118 -0.35 -0.3223 -0.8836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L09 compound treatment 0.44 0.0246 0.77 0.452 0.0372 1.1 1.327 0.9849 3559831 ACon1_000225 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L10 compound treatment 0.424 0.00859 0.27 0.418 0.00323 0.1 0.2588 0.9028 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L11 compound treatment 0.468 0.0526 1.65 0.452 0.0372 1.1 1.9495 0.9806 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L12 compound treatment 0.423 0.00759 0.24 0.432 0.0172 0.51 0.5299 0.94 3180152 ACon1_000228 CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L13 compound treatment 0.427 0.0116 0.36 0.43 0.0152 0.45 0.577 0.9944 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L14 compound treatment 0.438 0.0226 0.71 0.432 0.0172 0.51 0.8635 0.9869 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L15 mock treatment 0.407 -0.00841 -0.26 0.409 -0.00577 -0.17 -0.3077 -0.9777 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L16 mock treatment 0.414 -0.00141 -0.04 0.408 -0.00677 -0.2 -0.173 -0.8428 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L17 compound treatment 0.434 0.0186 0.58 0.416 0.00123 0.04 0.4393 0.7499 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L18 compound treatment 0.501 0.0856 2.69 0.465 0.0502 1.49 2.9556 0.961 3557784 ACon1_000232 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L19 compound treatment 0.415 -4.06E-4 -0.01 0.398 -0.0168 -0.5 -0.3603 -0.725 3555882 ACon1_000233 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L20 compound treatment 0.454 0.0386 1.21 0.445 0.0302 0.9 1.4916 0.9889 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L21 compound treatment 0.407 -0.00841 -0.26 0.399 -0.0158 -0.47 -0.5172 -0.9636 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L22 compound treatment 0.443 0.0276 0.87 0.417 0.00223 0.07 0.6603 0.7589 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L23 mock treatment 0.401 -0.0144 -0.45 0.413 -0.00177 -0.05 -0.3573 -0.7836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 L24 mock treatment 0.439 0.0236 0.74 0.436 0.0212 0.63 0.9695 0.9966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M01 compound treatment 0.488 0.0726 2.28 0.487 0.0722 2.14 3.1275 0.9995 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M02 compound treatment 0.398 -0.0174 -0.55 0.391 -0.0238 -0.7 -0.885 -0.9922 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M03 compound treatment 0.417 0.00159 0.05 0.43 0.0152 0.45 0.3546 0.7808 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M04 compound treatment 0.389 -0.0264 -0.83 0.381 -0.0338 -1.0 -1.2946 -0.9957 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M05 compound treatment 0.43 0.0146 0.46 0.426 0.0112 0.33 0.5599 0.9876 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M06 compound treatment 0.367 -0.0484 -1.52 0.38 -0.0348 -1.03 -1.8047 -0.9819 3558910 ACon1_000242 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M07 compound treatment 0.403 -0.0124 -0.39 0.399 -0.0158 -0.47 -0.6062 -0.996 3559317 ACon1_000243 C[C@@H]1CC[C@@H](/C=C(\C)/C(=O)O)C2=C(C)C[C@@H](OC(=O)C)[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M08 compound treatment 0.446 0.0306 0.96 0.444 0.0292 0.87 1.2928 0.9986 3552818 ACon1_000244 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M09 mock treatment 0.424 0.00859 0.27 0.428 0.0132 0.39 0.4684 0.9835 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M10 mock treatment 0.424 0.00859 0.27 0.408 -0.00677 -0.2 0.0493 0.1466 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M11 compound treatment 0.438 0.0226 0.71 0.434 0.0192 0.57 0.9054 0.994 3553135 ACon1_000245 C[C@H]1CC[C@H](OC(=O)C)[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C)[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M12 compound treatment 0.419 0.00359 0.11 0.415 2.34E-4 0.01 0.0848 0.7492 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M13 mock treatment 0.414 -0.00141 -0.04 0.42 0.00523 0.16 0.0784 0.4862 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M14 mock treatment 0.424 0.00859 0.27 0.416 0.00123 0.04 0.2169 0.7956 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M15 compound treatment 0.439 0.0236 0.74 0.439 0.0242 0.72 1.0324 0.9999 3551999 ACon1_000247 C/C=C(/C)\C(=O)O[C@@H]1C[C@@H](OC(=O)/C(=C\C)/C)[C@](C)(CO)C2C3[C@H](C)CC(=O)C2[C@@]31C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M16 compound treatment 0.393 -0.0224 -0.7 0.389 -0.0258 -0.76 -1.038 -0.9992 3552704 ACon1_000248 C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M17 compound treatment 0.441 0.0256 0.8 0.427 0.0122 0.36 0.8254 0.9351 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M18 compound treatment 0.45 0.0346 1.09 0.436 0.0212 0.63 1.2141 0.9661 3557806 ACon1_000250 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M19 compound treatment 0.434 0.0186 0.58 0.43 0.0152 0.45 0.7326 0.9918 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M20 compound treatment 0.421 0.00559 0.18 0.42 0.00523 0.16 0.234 0.998 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M21 compound treatment 0.414 -0.00141 -0.04 0.412 -0.00277 -0.08 -0.0892 -0.9581 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M22 compound treatment 0.423 0.00759 0.24 0.437 0.0222 0.66 0.6347 0.9057 3554833 ACon1_000254 COc1cc(C)c(C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(=O)C)n3ccc(=O)[nH]c3=O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M23 compound treatment 0.451 0.0356 1.12 0.459 0.0442 1.31 1.7182 0.9969 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 M24 compound treatment 0.487 0.0716 2.25 0.492 0.0772 2.29 3.2101 1.0 3559343 ACon1_000256 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N01 compound treatment 0.475 0.0596 1.87 0.466 0.0512 1.52 2.3985 0.9945 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N02 compound treatment 0.403 -0.0124 -0.39 0.406 -0.00877 -0.26 -0.4595 -0.9805 3559555 ACon1_000258 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/C(=O)O)/C)C(=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N03 compound treatment 0.395 -0.0204 -0.64 0.398 -0.0168 -0.5 -0.805 -0.992 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N04 compound treatment 0.502 0.0866 2.72 0.489 0.0742 2.2 3.4807 0.9944 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N05 compound treatment 0.432 0.0166 0.52 0.417 0.00223 0.07 0.4158 0.7905 3557638 ACon1_000261 COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N06 compound treatment 0.403 -0.0124 -0.39 0.401 -0.0138 -0.41 -0.5643 -0.9998 3614343 ACon1_000262 CC(C)C(NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OCC3(O)[C@@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N07 compound treatment 0.424 0.00859 0.27 0.433 0.0182 0.54 0.5731 0.9487 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N08 compound treatment 0.417 0.00159 0.05 0.425 0.0102 0.3 0.2499 0.8129 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N09 mock treatment 0.406 -0.00941 -0.3 0.408 -0.00677 -0.2 -0.3509 -0.9821 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N10 mock treatment 0.429 0.0136 0.43 0.414 -7.66E-4 -0.02 0.2862 0.6686 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N11 compound treatment 0.415 -4.06E-4 -0.01 0.41 -0.00477 -0.14 -0.1089 -0.7679 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N12 compound treatment 0.437 0.0216 0.68 0.415 2.34E-4 0.01 0.485 0.7143 3559523 ACon1_000266 CC(=CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)C3CCC2=C)C1=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N13 mock treatment 0.432 0.0166 0.52 0.412 -0.00277 -0.08 0.311 0.5888 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N14 mock treatment 0.422 0.00659 0.21 0.425 0.0102 0.3 0.361 0.9828 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N15 compound treatment 0.44 0.0246 0.77 0.432 0.0172 0.51 0.9079 0.9797 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N16 compound treatment 0.43 0.0146 0.46 0.425 0.0102 0.3 0.5389 0.9798 3557681 ACon1_000268 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N17 compound treatment 0.458 0.0426 1.34 0.439 0.0242 0.72 1.4548 0.9573 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N18 compound treatment 0.438 0.0226 0.71 0.416 0.00123 0.04 0.5282 0.7425 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N19 compound treatment 0.411 -0.00441 -0.14 0.425 0.0102 0.3 0.1165 0.3493 3558281 ACon1_000271 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N20 compound treatment 0.474 0.0586 1.84 0.469 0.0542 1.61 2.4391 0.9977 3553516 ACon1_000272 CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]3OC(=O)C(=C)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N21 compound treatment 0.453 0.0376 1.18 0.451 0.0362 1.07 1.5951 0.9988 3559609 ACon1_000273 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC[C@@]9%10OC[C@@]%11(CCC(C)(C)CC%11%10)[C@H](O)C[C@]98C)C6(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N22 compound treatment 0.415 -4.06E-4 -0.01 0.421 0.00623 0.18 0.1216 0.6566 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N23 compound treatment 0.455 0.0396 1.24 0.46 0.0452 1.34 1.8281 0.9993 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 N24 compound treatment 0.447 0.0316 0.99 0.444 0.0292 0.87 1.315 0.9977 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O01 compound treatment 0.478 0.0626 1.97 0.459 0.0442 1.31 2.3185 0.9805 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O02 compound treatment 0.425 0.00959 0.3 0.423 0.00823 0.24 0.3858 0.9945 3185117 ACon1_000278 CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O03 compound treatment 0.41 -0.00541 -0.17 0.414 -7.66E-4 -0.02 -0.1362 -0.7944 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O04 compound treatment 0.415 -4.06E-4 -0.01 0.414 -7.66E-4 -0.02 -0.0251 -0.9631 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O05 compound treatment 0.423 0.00759 0.24 0.437 0.0222 0.66 0.6347 0.9057 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O06 compound treatment 0.447 0.0316 0.99 0.461 0.0462 1.37 1.6712 0.9875 3614346 ACon1_000282 O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O07 compound treatment 0.447 0.0316 0.99 0.444 0.0292 0.87 1.315 0.9977 3558551 ACon1_000283 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)OC8OC(CO)C(O)C(O)C8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O08 compound treatment 0.441 0.0256 0.8 0.439 0.0242 0.72 1.0768 0.9984 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O09 compound treatment 0.439 0.0236 0.74 0.441 0.0262 0.78 1.0743 0.9997 3559591 ACon1_000285 C[C@@]1(O)C[C@@]2(CC1CC[C@H]23)CCC4C(C)(C)[C@H](CC[C@@]34C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O10 compound treatment 0.438 0.0226 0.71 0.435 0.0202 0.6 0.9263 0.9964 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O11 mock treatment 0.439 0.0236 0.74 0.439 0.0242 0.72 1.0324 0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O12 mock treatment 0.436 0.0206 0.65 0.431 0.0162 0.48 0.798 0.9893 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O13 compound treatment 0.432 0.0166 0.52 0.425 0.0102 0.3 0.5834 0.9667 3069775 ACon1_000287 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O14 compound treatment 0.463 0.0476 1.5 0.467 0.0522 1.55 2.1526 0.9999 3557505 ACon1_000288 CC(C)C(O)C(=O)O[C@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)[C@@H]2[C@H](OC(=O)C2=C)/C=C1/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O15 compound treatment 0.462 0.0466 1.47 0.45 0.0352 1.04 1.7742 0.9862 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O16 compound treatment 0.452 0.0366 1.15 0.448 0.0332 0.98 1.51 0.997 3559243 ACon1_000290 COc1cc(cc(OC)c1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Cc4cc(OC)c(O)c(OC)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O17 compound treatment 0.485 0.0696 2.19 0.456 0.0412 1.22 2.4113 0.9621 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O18 compound treatment 0.429 0.0136 0.43 0.44 0.0252 0.75 0.831 0.9648 3559322 ACon1_000292 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O19 compound treatment 0.444 0.0286 0.9 0.445 0.0302 0.9 1.2692 1.0 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O20 compound treatment 0.433 0.0176 0.55 0.443 0.0282 0.84 0.9828 0.9798 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O21 compound treatment 0.447 0.0316 0.99 0.452 0.0372 1.1 1.4826 0.9986 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O22 compound treatment 0.41 -0.00541 -0.17 0.421 0.00623 0.18 0.0104 0.0415 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O23 compound treatment 0.449 0.0336 1.06 0.45 0.0352 1.04 1.4852 1.0 2080073 ACon1_000297 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 O24 compound treatment 0.448 0.0326 1.02 0.452 0.0372 1.1 1.5048 0.9993 3559339 ACon1_000298 COc1c(O)c2c(=O)c(coc2cc1O[C@@H]3O[C@H](CO[C@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P01 compound treatment 0.48 0.0646 2.03 0.477 0.0622 1.84 2.7401 0.9988 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P02 compound treatment 0.456 0.0406 1.28 0.453 0.0382 1.13 1.7037 0.9982 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P03 compound treatment 0.422 0.00659 0.21 0.419 0.00423 0.13 0.2353 0.9711 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P04 compound treatment 0.477 0.0616 1.94 0.468 0.0532 1.58 2.4849 0.9948 3554488 ACon1_000302 CN1CC(C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P05 compound treatment 0.404 -0.0114 -0.36 0.424 0.00923 0.27 -0.0601 -0.1333 3558904 ACon1_000303 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P06 compound treatment 0.436 0.0206 0.65 0.454 0.0392 1.16 1.2799 0.9618 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P07 compound treatment 0.473 0.0576 1.81 0.471 0.0562 1.67 2.4588 0.9991 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P08 compound treatment 0.459 0.0436 1.37 0.46 0.0452 1.34 1.917 0.9999 3614349 ACon1_000306 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)cc2C(=O)N(Cc2c1O)C(CCC(=O)O)C(=O)O)/C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P09 compound treatment 0.503 0.0876 2.75 0.503 0.0882 2.61 3.7963 0.9997 3559304 ACon1_000307 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P10 compound treatment 0.459 0.0436 1.37 0.444 0.0292 0.87 1.5818 0.9755 3559823 ACon1_000308 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P11 mock treatment 0.449 0.0336 1.06 0.447 0.0322 0.96 1.4223 0.9987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P12 mock treatment 0.463 0.0476 1.5 0.45 0.0352 1.04 1.7964 0.9845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P13 compound treatment 0.483 0.0676 2.13 0.471 0.0562 1.67 2.6811 0.9928 3559341 ACon1_000309 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P14 compound treatment 0.455 0.0396 1.24 0.466 0.0512 1.52 1.9538 0.9951 3557710 ACon1_000310 CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P15 compound treatment 0.465 0.0496 1.56 0.463 0.0482 1.43 2.1133 0.9991 3559388 ACon1_000311 COc1cc2occ(c3ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c(O)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P16 compound treatment 0.45 0.0346 1.09 0.46 0.0452 1.34 1.7169 0.9946 3557667 ACon1_000312 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)O[C@@]81CCC(=C)CO8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P17 compound treatment 0.533 0.118 3.7 0.514 0.0992 2.94 4.6938 0.9936 3614351 ACon1_000313 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P18 compound treatment 0.493 0.0776 2.44 0.456 0.0412 1.22 2.5892 0.9489 3552822 ACon1_000314 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]3(C[C@@H]4CC=C32)CC4=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P19 compound treatment 0.474 0.0586 1.84 0.458 0.0432 1.28 2.2086 0.9842 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P20 compound treatment 0.49 0.0746 2.35 0.477 0.0622 1.84 2.9625 0.9929 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P21 compound treatment 0.509 0.0936 2.94 0.495 0.0802 2.38 3.7621 0.9944 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P22 compound treatment 0.47 0.0546 1.72 0.459 0.0442 1.31 2.1407 0.9911 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P23 compound treatment 0.466 0.0506 1.59 0.457 0.0422 1.25 2.0098 0.9929 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2290 P24 compound treatment 0.515 0.0996 3.13 0.5 0.0852 2.53 4.0002 0.9943 3557792 ACon1_000320 C/C=C(\C)/C(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@H]4OC(=O)C(=C)[C@@H]4C[C@@H](O)[C@@]13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A01 compound treatment 0.442 -0.0455 -1.43 0.466 -0.0253 -0.75 -1.5408 -0.9544 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A02 compound treatment 0.548 0.0605 1.9 0.551 0.0597 1.77 2.597 0.9993 3558065 ACon1_000322 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A03 compound treatment 0.503 0.0155 0.49 0.514 0.0227 0.67 0.8212 0.9875 3557987 ACon1_000323 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A04 compound treatment 0.488 5.16E-4 0.02 0.505 0.0137 0.41 0.2992 0.7347 3558147 ACon1_000324 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A05 compound treatment 0.581 0.0935 2.94 0.587 0.0957 2.84 4.085 0.9998 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A06 compound treatment 0.517 0.0295 0.93 0.527 0.0357 1.06 1.4049 0.9978 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A07 compound treatment 0.509 0.0215 0.68 0.516 0.0247 0.73 0.9966 0.9992 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A08 compound treatment 0.533 0.0455 1.43 0.542 0.0507 1.5 2.0749 0.9997 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A09 compound treatment 0.516 0.0285 0.9 0.51 0.0187 0.56 1.0265 0.9734 3558232 ACon1_000329 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@H](CC[C@@H]31)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A10 compound treatment 0.519 0.0315 0.99 0.523 0.0317 0.94 1.3656 0.9997 3553751 ACon1_000330 CC(O)C(O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)C13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A11 compound treatment 0.523 0.0355 1.12 0.516 0.0247 0.73 1.3078 0.9791 3614354 ACon1_000331 CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A12 compound treatment 0.513 0.0255 0.8 0.525 0.0337 1.0 1.2741 0.9941 3614356 ACon1_000332 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A13 mock treatment 0.501 0.0135 0.42 0.515 0.0237 0.7 0.7977 0.9709 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A14 mock treatment 0.496 0.00852 0.27 0.509 0.0177 0.53 0.5608 0.9511 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A15 compound treatment 0.501 0.0135 0.42 0.515 0.0237 0.7 0.7977 0.9709 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A16 compound treatment 0.482 -0.00548 -0.17 0.495 0.00373 0.11 -0.0438 -0.2137 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A17 compound treatment 0.484 -0.00348 -0.11 1.08 0.589 17.45 12.258 0.7027 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A18 compound treatment 0.493 0.00552 0.17 0.488 -0.00327 -0.1 0.0541 0.2725 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A19 compound treatment 0.531 0.0435 1.37 0.537 0.0457 1.36 1.9257 1.0 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A20 compound treatment 0.457 -0.0305 -0.96 0.46 -0.0313 -0.93 -1.333 -0.9999 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A21 compound treatment 0.451 -0.0365 -1.15 0.446 -0.0453 -1.34 -1.7597 -0.997 3557759 ACon1_000339 C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A22 compound treatment 0.5 0.0125 0.39 0.479 -0.0123 -0.36 0.0212 0.0396 3557801 ACon1_000340 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC/C(=C/CC/C(=C/CC/C(=C/CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)/C)/C)/C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A23 compound treatment 0.48 -0.00748 -0.24 0.5 0.00873 0.26 0.0165 0.0473 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 A24 compound treatment 0.411 -0.0765 -2.4 0.48 -0.0113 -0.33 -1.9367 -0.7976 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B01 compound treatment 0.472 -0.0155 -0.49 0.48 -0.0113 -0.33 -0.5804 -0.9831 3559333 ACon1_000343 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC3C(C)C(CC3C(CO)CO)OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B02 compound treatment 0.46 -0.0275 -0.86 0.476 -0.0153 -0.45 -0.931 -0.9544 3559681 ACon1_000344 CC(=O)OC[C@]12CCC[C@]3(C)[C@@H]2[C@@H](OC1=O)[C@H](OC(=O)C)[C@]4(C[C@H]5CC[C@H]43)CC5=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B03 compound treatment 0.455 -0.0325 -1.02 0.471 -0.0203 -0.6 -1.147 -0.968 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B04 compound treatment 0.461 -0.0265 -0.83 0.482 -0.00927 -0.27 -0.7831 -0.893 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B05 compound treatment 0.555 0.0675 2.12 0.559 0.0677 2.01 2.9203 0.9996 3559255 ACon1_000347 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B06 compound treatment 0.446 -0.0415 -1.3 0.441 -0.0503 -1.49 -1.9756 -0.9978 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B07 compound treatment 0.439 -0.0485 -1.52 0.457 -0.0343 -1.02 -1.796 -0.9805 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B08 compound treatment 0.464 -0.0235 -0.74 0.472 -0.0193 -0.57 -0.9259 -0.9919 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B09 compound treatment 0.562 0.0745 2.34 0.558 0.0667 1.98 3.055 0.9964 3559310 ACon1_000351 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(oc2c1)c5ccc(O)c(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B10 compound treatment 0.466 -0.0215 -0.68 0.471 -0.0203 -0.6 -0.9024 -0.9983 3555614 ACon1_000352 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3cccc4cc5COC(=O)c5c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B11 compound treatment 0.485 -0.00248 -0.08 0.486 -0.00527 -0.16 -0.1656 -0.9487 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B12 compound treatment 0.462 -0.0255 -0.8 0.469 -0.0223 -0.66 -1.0332 -0.9953 3552679 ACon1_000354 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](OC(=O)C)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B13 mock treatment 0.453 -0.0345 -1.08 0.462 -0.0293 -0.87 -1.38 -0.9939 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B14 mock treatment 0.45 -0.0375 -1.18 0.466 -0.0253 -0.75 -1.3629 -0.976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B15 compound treatment 0.49 0.00252 0.08 0.489 -0.00227 -0.07 0.0084 0.0807 3559749 ACon1_000355 CC(C)CC(=O)O[C@@H]1C/C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B16 compound treatment 0.518 0.0305 0.96 0.531 0.0397 1.18 1.5109 0.9948 3554812 ACon1_000356 COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B17 compound treatment 0.582 0.0945 2.97 0.599 0.108 3.19 4.3587 0.9994 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B18 compound treatment 0.455 -0.0325 -1.02 0.461 -0.0303 -0.9 -1.3565 -0.9979 3557998 ACon1_000358 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)/C=C/c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B19 compound treatment 0.496 0.00852 0.27 0.489 -0.00227 -0.07 0.1418 0.5135 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B20 compound treatment 0.443 -0.0445 -1.4 0.477 -0.0143 -0.42 -1.288 -0.8815 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B21 compound treatment 0.467 -0.0205 -0.64 0.497 0.00573 0.17 -0.3354 -0.5035 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B22 compound treatment 0.434 -0.0535 -1.68 0.476 -0.0153 -0.45 -1.5091 -0.8665 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B23 compound treatment 0.398 -0.0895 -2.81 0.456 -0.0353 -1.05 -2.7286 -0.9091 3553394 ACon1_000363 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 B24 compound treatment 0.537 0.0495 1.56 0.509 0.0177 0.53 1.4724 0.8961 3553902 ACon1_000364 CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C01 compound treatment 0.479 -0.00848 -0.27 0.49 -0.00127 -0.04 -0.2152 -0.7989 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C02 compound treatment 0.468 -0.0195 -0.61 0.488 -0.00327 -0.1 -0.5017 -0.8089 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C03 compound treatment 0.506 0.0185 0.58 0.488 -0.00327 -0.1 0.3432 0.5814 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C04 compound treatment 0.5 0.0125 0.39 0.518 0.0267 0.79 0.8384 0.9479 3552816 ACon1_000368 C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C05 compound treatment 0.474 -0.0135 -0.42 0.498 0.00673 0.2 -0.1588 -0.3389 3558075 ACon1_000369 OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C06 compound treatment 0.432 -0.0555 -1.74 0.453 -0.0383 -1.13 -2.0355 -0.9782 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C07 compound treatment 0.495 0.00752 0.24 0.492 7.3E-4 0.02 0.1824 0.7686 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C08 compound treatment 0.504 0.0165 0.52 0.509 0.0177 0.53 0.7387 1.0 3559269 ACon1_000372 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C09 compound treatment 0.489 0.00152 0.05 0.504 0.0127 0.38 0.3004 0.7902 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C10 compound treatment 0.487 -4.84E-4 -0.02 0.496 0.00473 0.14 0.0884 0.6267 3553121 ACon1_000374 C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@@H]23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C11 mock treatment 0.476 -0.0115 -0.36 0.482 -0.00927 -0.27 -0.4496 -0.9909 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C12 mock treatment 0.48 -0.00748 -0.24 0.495 0.00373 0.11 -0.0882 -0.3394 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C13 compound treatment 0.517 0.0295 0.93 0.514 0.0227 0.67 1.1325 0.9876 3558186 ACon1_000375 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc4ccc(O)cc4)C(=CC2=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C14 compound treatment 0.492 0.00452 0.14 0.494 0.00273 0.08 0.1576 0.9644 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C15 mock treatment 0.475 -0.0125 -0.39 0.493 0.00173 0.05 -0.2413 -0.6096 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C16 mock treatment 0.479 -0.00848 -0.27 0.492 7.3E-4 0.02 -0.1733 -0.6476 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C17 compound treatment 0.488 5.16E-4 0.02 0.5 0.00873 0.26 0.1944 0.75 3553202 ACon1_000377 CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C18 compound treatment 0.485 -0.00248 -0.08 0.528 0.0367 1.09 0.7144 0.6547 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C19 compound treatment 0.499 0.0115 0.36 0.502 0.0107 0.32 0.4809 0.9979 3558937 ACon1_000379 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]1OC(=O)c5cc(O)c(O)c(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C20 compound treatment 0.464 -0.0235 -0.74 0.448 -0.0433 -1.28 -1.4288 -0.9656 3552950 ACon1_000380 C[C@H]1[C@@H]2[C@H](OC(=O)C)C(=O)[C@@]3(C)[C@@H](CC[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C)[C@@]2(C)C=CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C21 compound treatment 0.466 -0.0215 -0.68 0.485 -0.00627 -0.19 -0.609 -0.8693 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C22 compound treatment 0.478 -0.00948 -0.3 0.497 0.00573 0.17 -0.0908 -0.2646 3559361 ACon1_000382 C[C@@H]([C@H]1CCC2C3CC=C4C[C@H](C[C@H](O)[C@]4(C)C3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6CC(=C(CO)C(=O)O6)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C23 compound treatment 0.554 0.0665 2.09 0.504 0.0127 0.38 1.7456 0.8214 3553616 ACon1_000383 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](O)[C@](O)(COC(=O)C)[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 C24 compound treatment 0.527 0.0395 1.24 0.51 0.0187 0.56 1.271 0.934 3558764 ACon1_000384 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D01 compound treatment 0.526 0.0385 1.21 0.526 0.0347 1.03 1.5841 0.9967 3559335 ACon1_000385 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D02 compound treatment 0.527 0.0395 1.24 0.519 0.0277 0.82 1.4596 0.9798 3552117 ACon1_000386 C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@@]42CO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D03 compound treatment 0.481 -0.00648 -0.2 0.488 -0.00327 -0.1 -0.2127 -0.9422 3554011 ACon1_000387 CC1CCC(=C(CC/C(=C\COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)/C)C1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D04 compound treatment 0.486 -0.00148 -0.05 0.495 0.00373 0.11 0.0452 0.3765 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D05 compound treatment 0.509 0.0215 0.68 0.506 0.0147 0.44 0.787 0.9775 3558877 ACon1_000389 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO)\CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D06 compound treatment 0.492 0.00452 0.14 0.483 -0.00827 -0.25 -0.0729 -0.2573 1607 ACon1_000390 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D07 compound treatment 0.486 -0.00148 -0.05 0.496 0.00473 0.14 0.0661 0.4476 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D08 compound treatment 0.535 0.0475 1.49 0.516 0.0247 0.73 1.5746 0.9462 3614357 ACon1_000392 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D09 compound treatment 0.49 0.00252 0.08 0.5 0.00873 0.26 0.2389 0.883 3559940 ACon1_000393 COc1cc(ccc1O)C2C(CO)C(CO)Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D10 compound treatment 0.474 -0.0135 -0.42 0.48 -0.0113 -0.33 -0.5359 -0.993 3557859 ACon1_000394 CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D11 mock treatment 0.479 -0.00848 -0.27 0.481 -0.0103 -0.3 -0.4038 -0.9978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D12 mock treatment 0.484 -0.00348 -0.11 0.489 -0.00227 -0.07 -0.125 -0.9726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D13 compound treatment 0.468 -0.0195 -0.61 0.484 -0.00727 -0.22 -0.5855 -0.9016 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D14 compound treatment 0.498 0.0105 0.33 0.489 -0.00227 -0.07 0.1863 0.552 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D15 mock treatment 0.474 -0.0135 -0.42 0.475 -0.0163 -0.48 -0.6407 -0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D16 mock treatment 0.497 0.00952 0.3 0.482 -0.00927 -0.27 0.0174 0.0427 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D17 compound treatment 0.48 -0.00748 -0.24 0.491 -2.7E-4 -0.01 -0.172 -0.7307 3559665 ACon1_000397 CCC(C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D18 compound treatment 0.472 -0.0155 -0.49 0.478 -0.0133 -0.39 -0.6223 -0.9944 3559379 ACon1_000398 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D19 compound treatment 0.47 -0.0175 -0.55 0.476 -0.0153 -0.45 -0.7087 -0.9953 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D20 compound treatment 0.47 -0.0175 -0.55 0.47 -0.0213 -0.63 -0.8344 -0.9977 3552828 ACon1_000400 C[C@]12CC[C@H](C[C@H]2[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(=O)O)C(=O)C=C1)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D21 compound treatment 0.474 -0.0135 -0.42 0.486 -0.00527 -0.16 -0.4102 -0.9079 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D22 compound treatment 0.492 0.00452 0.14 0.507 0.0157 0.47 0.43 0.8825 3558274 ACon1_000402 C[C@@H]1C[C@@H](OC(=O)C)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC3=CC(=O)OC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D23 compound treatment 0.492 0.00452 0.14 0.487 -0.00427 -0.13 0.0109 0.0576 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 D24 compound treatment 0.542 0.0545 1.71 0.548 0.0567 1.68 2.4008 1.0 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E01 mock treatment 0.498 0.0105 0.33 0.504 0.0127 0.38 0.5005 0.9978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E02 mock treatment 0.482 -0.00548 -0.17 0.491 -2.7E-4 -0.01 -0.1276 -0.7391 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E03 compound treatment 0.616 0.129 4.04 0.616 0.125 3.7 5.4708 0.999 3557985 ACon1_000405 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OCC3OC(Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E04 compound treatment 0.472 -0.0155 -0.49 0.479 -0.0123 -0.36 -0.6014 -0.9897 3557740 ACon1_000406 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H]2OC(=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E05 compound treatment 0.482 -0.00548 -0.17 0.488 -0.00327 -0.1 -0.1904 -0.9628 3558077 ACon1_000407 O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E06 compound treatment 0.469 -0.0185 -0.58 0.467 -0.0243 -0.72 -0.9195 -0.9944 3558242 ACon1_000408 COc1cc2c(=O)c(coc2cc1O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E07 compound treatment 0.506 0.0185 0.58 0.497 0.00573 0.17 0.5317 0.8768 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E08 compound treatment 0.524 0.0365 1.15 0.529 0.0377 1.12 1.6024 0.9999 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E09 mock treatment 0.484 -0.00348 -0.11 0.493 0.00173 0.05 -0.0412 -0.3407 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E10 mock treatment 0.478 -0.00948 -0.3 0.479 -0.0123 -0.36 -0.4679 -0.9952 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E11 compound treatment 0.485 -0.00248 -0.08 0.478 -0.0133 -0.39 -0.3333 -0.8313 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E12 compound treatment 0.507 0.0195 0.61 0.501 0.00973 0.29 0.6378 0.9407 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E13 compound treatment 0.489 0.00152 0.05 0.51 0.0187 0.56 0.4262 0.765 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E14 compound treatment 0.492 0.00452 0.14 0.478 -0.0133 -0.39 -0.1776 -0.4249 3554186 ACon1_000414 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E15 compound treatment 0.509 0.0215 0.68 0.531 0.0397 1.18 1.3108 0.9654 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E16 compound treatment 0.429 -0.0585 -1.84 0.432 -0.0593 -1.76 -2.5422 -0.9997 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E17 mock treatment 0.488 5.16E-4 0.02 0.479 -0.0123 -0.36 -0.2456 -0.6749 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E18 mock treatment 0.479 -0.00848 -0.27 0.495 0.00373 0.11 -0.1105 -0.3826 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E19 compound treatment 0.479 -0.00848 -0.27 0.474 -0.0173 -0.51 -0.5505 -0.9539 3557588 ACon1_000417 CC(=CCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(CC=C(C)C)c1C(O)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E20 compound treatment 0.485 -0.00248 -0.08 0.486 -0.00527 -0.16 -0.1656 -0.9487 3557280 ACon1_000418 C[C@H]1CC/C=C(\C)/[C@@H](O)/C=C/[C@@](C)(O)\C=C\C(=O)O[C@@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E21 compound treatment 0.482 -0.00548 -0.17 0.474 -0.0173 -0.51 -0.4838 -0.8959 3557796 ACon1_000419 C/C(=C\CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C)/CC[C@H](O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E22 compound treatment 0.475 -0.0125 -0.39 0.477 -0.0143 -0.42 -0.5766 -0.9993 3554684 ACon1_000420 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCc4cc(O)c(O)cc34)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E23 compound treatment 0.512 0.0245 0.77 0.489 -0.00227 -0.07 0.4975 0.643 3557854 ACon1_000421 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 E24 compound treatment 0.481 -0.00648 -0.2 0.512 0.0207 0.61 0.2902 0.4484 3559947 ACon1_000422 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C\c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F01 mock treatment 0.508 0.0205 0.65 0.508 0.0167 0.5 0.8067 0.9915 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F02 mock treatment 0.502 0.0145 0.46 0.748 0.257 7.61 5.7019 0.7482 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F03 compound treatment 0.506 0.0185 0.58 0.506 0.0147 0.44 0.7203 0.9899 3558066 ACon1_000423 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F04 compound treatment 0.488 5.16E-4 0.02 0.501 0.00973 0.29 0.2153 0.7457 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F05 compound treatment 0.506 0.0185 0.58 0.505 0.0137 0.41 0.6994 0.9846 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F06 compound treatment 0.483 -0.00448 -0.14 0.485 -0.00627 -0.19 -0.2311 -0.9907 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F07 compound treatment 0.525 0.0375 1.18 0.531 0.0397 1.18 1.6666 1.0 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F08 compound treatment 0.503 0.0155 0.49 0.509 0.0177 0.53 0.7165 0.9993 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F09 mock treatment 0.494 0.00652 0.2 0.489 -0.00227 -0.07 0.0973 0.4513 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F10 mock treatment 0.497 0.00952 0.3 0.486 -0.00527 -0.16 0.1012 0.2997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F11 compound treatment 0.481 -0.00648 -0.2 0.475 -0.0163 -0.48 -0.4851 -0.9267 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F12 compound treatment 0.495 0.00752 0.24 0.493 0.00173 0.05 0.2034 0.8409 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F13 compound treatment 0.486 -0.00148 -0.05 0.5 0.00873 0.26 0.1499 0.5704 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F14 compound treatment 0.495 0.00752 0.24 0.503 0.0117 0.35 0.4129 0.9823 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F15 compound treatment 0.517 0.0295 0.93 0.524 0.0327 0.97 1.342 0.9998 3553624 ACon1_000433 CC(C)CC(=O)O[C@H]1C(CC2O[C@]2(C)C1=O)C(=C)C(=O)/C=C/C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F16 compound treatment 0.489 0.00152 0.05 0.494 0.00273 0.08 0.0909 0.9682 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F17 mock treatment 0.485 -0.00248 -0.08 0.478 -0.0133 -0.39 -0.3333 -0.8313 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F18 mock treatment 0.496 0.00852 0.27 0.496 0.00473 0.14 0.2885 0.9544 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F19 compound treatment 0.479 -0.00848 -0.27 0.491 -2.7E-4 -0.01 -0.1943 -0.728 3559629 ACon1_000435 C/C=C(/C)\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(=C\C)/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F20 compound treatment 0.494 0.00652 0.2 0.505 0.0137 0.41 0.4326 0.9496 3554672 ACon1_000436 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F21 compound treatment 0.51 0.0225 0.71 0.516 0.0247 0.73 1.0188 0.9999 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F22 compound treatment 0.545 0.0575 1.81 0.605 0.114 3.37 3.6618 0.9574 3558196 ACon1_000438 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F23 compound treatment 0.531 0.0435 1.37 0.528 0.0367 1.09 1.7371 0.9936 3559742 ACon1_000439 C/C=C(/C)\C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)\C(=C\CO)\C)[C@H]1C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 F24 compound treatment 0.512 0.0245 0.77 0.5 0.00873 0.26 0.728 0.8953 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G01 compound treatment 0.505 0.0175 0.55 0.511 0.0197 0.58 0.8029 0.9996 3557821 ACon1_000441 OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G02 compound treatment 0.491 0.00352 0.11 0.507 0.0157 0.47 0.4078 0.8512 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G03 mock treatment 0.477 -0.0105 -0.33 0.49 -0.00127 -0.04 -0.2597 -0.7827 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G04 mock treatment 0.459 -0.0285 -0.9 0.48 -0.0113 -0.33 -0.8694 -0.9096 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G05 compound treatment 0.487 -4.84E-4 -0.02 0.487 -0.00427 -0.13 -0.1002 -0.7865 3557908 ACon1_000443 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G06 compound treatment 0.449 -0.0385 -1.21 0.45 -0.0413 -1.22 -1.7204 -1.0 3552802 ACon1_000444 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G07 compound treatment 0.475 -0.0125 -0.39 0.489 -0.00227 -0.07 -0.3251 -0.8164 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G08 compound treatment 0.487 -4.84E-4 -0.02 0.497 0.00573 0.17 0.1093 0.6412 3614356 ACon1_000446 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G09 compound treatment 0.486 -0.00148 -0.05 0.485 -0.00627 -0.19 -0.1644 -0.858 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G10 compound treatment 0.518 0.0305 0.96 0.51 0.0187 0.56 1.0709 0.9661 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G11 compound treatment 0.48 -0.00748 -0.24 0.478 -0.0133 -0.39 -0.4444 -0.9699 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G12 compound treatment 0.499 0.0115 0.36 0.506 0.0147 0.44 0.5647 0.9957 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G13 compound treatment 0.478 -0.00948 -0.3 0.498 0.00673 0.2 -0.0698 -0.1947 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G14 compound treatment 0.486 -0.00148 -0.05 0.471 -0.0203 -0.6 -0.4577 -0.7597 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G15 compound treatment 0.504 0.0165 0.52 0.494 0.00273 0.08 0.4244 0.8075 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G16 compound treatment 0.521 0.0335 1.05 0.523 0.0317 0.94 1.41 0.9984 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G17 compound treatment 0.487 -4.84E-4 -0.02 0.509 0.0177 0.53 0.3607 0.6863 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G18 compound treatment 0.521 0.0335 1.05 0.509 0.0177 0.53 1.1167 0.9483 3553155 ACon1_000456 C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@H]2O)c3ccc4C(=O)C5=C(C=C[C@]6(O)C[C@@](C)(O)CC(=O)[C@]56O)C(=O)c4c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G19 mock treatment 0.477 -0.0105 -0.33 0.49 -0.00127 -0.04 -0.2597 -0.7827 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G20 mock treatment 0.478 -0.00948 -0.3 0.474 -0.0173 -0.51 -0.5727 -0.967 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G21 compound treatment 0.483 -0.00448 -0.14 0.489 -0.00227 -0.07 -0.1473 -0.9427 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G22 compound treatment 0.48 -0.00748 -0.24 0.478 -0.0133 -0.39 -0.4444 -0.9699 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G23 compound treatment 0.492 0.00452 0.14 0.488 -0.00327 -0.1 0.0319 0.1856 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 G24 compound treatment 0.495 0.00752 0.24 0.489 -0.00227 -0.07 0.1196 0.4865 3554685 ACon1_000460 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H01 compound treatment 0.496 0.00852 0.27 0.511 0.0197 0.58 0.6027 0.9373 3559300 ACon1_000461 C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H02 compound treatment 0.53 0.0425 1.34 0.528 0.0367 1.09 1.7149 0.9948 3559819 ACon1_000462 C/C=C(\C)/C(=O)O[C@@H]1C[C@@](C)(O)C(=O)C[C@@H](O)\C(=C\[C@H]2OC(=O)C(=C)[C@@H]21)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H03 mock treatment 0.465 -0.0225 -0.71 0.47 -0.0213 -0.63 -0.9456 -0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H04 mock treatment 0.484 -0.00348 -0.11 0.495 0.00373 0.11 7.0E-4 0.0045 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H05 compound treatment 0.474 -0.0135 -0.42 0.479 -0.0123 -0.36 -0.5569 -0.9971 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H06 compound treatment 0.464 -0.0235 -0.74 0.465 -0.0263 -0.78 -1.0726 -0.9997 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H07 compound treatment 0.485 -0.00248 -0.08 0.492 7.3E-4 0.02 -0.0399 -0.4927 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H08 compound treatment 0.536 0.0485 1.53 0.52 0.0287 0.85 1.6807 0.962 3553802 ACon1_000466 CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H09 compound treatment 0.525 0.0375 1.18 0.521 0.0297 0.88 1.4571 0.9897 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H10 compound treatment 0.523 0.0355 1.12 0.485 -0.00627 -0.19 0.6583 0.5815 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H11 compound treatment 0.492 0.00452 0.14 0.484 -0.00727 -0.22 -0.0519 -0.2012 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H12 compound treatment 0.503 0.0155 0.49 0.511 0.0197 0.58 0.7584 0.996 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H13 compound treatment 0.492 0.00452 0.14 0.496 0.00473 0.14 0.1995 1.0 3554565 ACon1_000471 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@H]3[C@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@H]4CC[C@@]31C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H14 compound treatment 0.497 0.00952 0.3 0.493 0.00173 0.05 0.2478 0.8164 3558607 ACon1_000472 COc1c2CC(Oc2cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H15 compound treatment 0.526 0.0385 1.21 0.511 0.0197 0.58 1.2698 0.9442 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H16 compound treatment 0.473 -0.0145 -0.46 0.506 0.0147 0.44 -0.0134 -0.0212 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H17 compound treatment 0.495 0.00752 0.24 0.497 0.00573 0.17 0.2872 0.9868 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H18 compound treatment 0.405 -0.0825 -2.59 0.439 -0.0523 -1.55 -2.9291 -0.9696 3554824 ACon1_000476 COc1cc(=O)oc(c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H19 mock treatment 0.47 -0.0175 -0.55 0.496 0.00473 0.14 -0.2896 -0.5105 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H20 mock treatment 0.469 -0.0185 -0.58 0.492 7.3E-4 0.02 -0.3957 -0.6803 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H21 compound treatment 0.463 -0.0245 -0.77 0.464 -0.0273 -0.81 -1.1157 -0.9997 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H22 compound treatment 0.56 0.0725 2.28 0.551 0.0597 1.77 2.8638 0.9922 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H23 compound treatment 0.508 0.0205 0.65 0.499 0.00773 0.23 0.6181 0.9029 3553179 ACon1_000479 CC(=C)C(=O)O[C@H]1CC(=C)C2C[C@H](O)[C@](O)(CO)C2[C@H]3OC(=O)C(=C)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 H24 compound treatment 0.499 0.0115 0.36 0.51 0.0187 0.56 0.6485 0.9786 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I01 compound treatment 0.525 0.0375 1.18 0.53 0.0387 1.15 1.6456 0.9999 3557823 ACon1_000481 OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I02 compound treatment 0.48 -0.00748 -0.24 0.493 0.00173 0.05 -0.1301 -0.5404 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I03 compound treatment 0.572 0.0845 2.66 0.596 0.105 3.1 4.0735 0.997 3557594 ACon1_000483 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I04 compound treatment 0.507 0.0195 0.61 0.49 -0.00127 -0.04 0.4073 0.6625 3554871 ACon1_000484 COc1cc(cc2OCOc21)[C@H](OC(=O)/C(=C\C)/C)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)/C(=C\C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I05 mock treatment 0.487 -4.84E-4 -0.02 0.485 -0.00627 -0.19 -0.1421 -0.7625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I06 mock treatment 0.471 -0.0165 -0.52 0.482 -0.00927 -0.27 -0.5607 -0.9559 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I07 compound treatment 0.531 0.0435 1.37 0.525 0.0337 1.0 1.6743 0.9881 3554216 ACon1_000485 CCCC(=O)O[C@@H]1C[C@@](C)(OC(=O)C)C2C[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@@]31O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I08 compound treatment 0.484 -0.00348 -0.11 0.487 -0.00427 -0.13 -0.1669 -0.9974 3558194 ACon1_000486 CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I09 compound treatment 0.503 0.0155 0.49 0.495 0.00373 0.11 0.4231 0.8459 3553540 ACon1_000487 CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I10 compound treatment 0.481 -0.00648 -0.2 0.469 -0.0223 -0.66 -0.6108 -0.8843 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I11 compound treatment 0.489 0.00152 0.05 0.476 -0.0153 -0.45 -0.2862 -0.6291 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I12 compound treatment 0.459 -0.0285 -0.9 0.503 0.0117 0.35 -0.3875 -0.4034 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I13 compound treatment 0.485 -0.00248 -0.08 0.494 0.00273 0.08 0.002 0.0176 3559698 ACon1_000491 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]3[C@@H](/C=C(\C)/C2=O)C3(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I14 compound treatment 0.496 0.00852 0.27 0.492 7.3E-4 0.02 0.2046 0.7618 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I15 compound treatment 0.489 0.00152 0.05 0.49 -0.00127 -0.04 0.0071 0.117 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I16 compound treatment 0.477 -0.0105 -0.33 0.499 0.00773 0.23 -0.0711 -0.1772 3185114 ACon1_000494 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I17 compound treatment 0.491 0.00352 0.11 0.493 0.00173 0.05 0.1144 0.939 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I18 compound treatment 0.509 0.0215 0.68 0.513 0.0217 0.64 0.9337 0.9997 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I19 compound treatment 0.487 -4.84E-4 -0.02 0.474 -0.0173 -0.51 -0.3726 -0.7278 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I20 compound treatment 0.529 0.0415 1.31 0.525 0.0337 1.0 1.6298 0.9913 3557415 ACon1_000498 COC(=O)C[C@@H]1C[C@@H](C)C2C([C@@H]1O)C(=O)c3c(O)c4C5CC(O)C(O)(C(C)O5)c4c(O)c3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I21 mock treatment 0.472 -0.0155 -0.49 0.475 -0.0163 -0.48 -0.6852 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I22 mock treatment 0.477 -0.0105 -0.33 0.471 -0.0203 -0.6 -0.6578 -0.9601 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I23 compound treatment 0.518 0.0305 0.96 0.523 0.0317 0.94 1.3433 0.9999 3557848 ACon1_000499 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 I24 compound treatment 0.492 0.00452 0.14 0.495 0.00373 0.11 0.1786 0.9923 3557958 ACon1_000500 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CCC3(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J01 compound treatment 0.495 0.00752 0.24 0.505 0.0137 0.41 0.4548 0.9666 3554282 ACon1_000501 CCCCCCC(O)CCCCCC/C=C/[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](N)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J02 compound treatment 0.48 -0.00748 -0.24 0.48 -0.0113 -0.33 -0.4025 -0.9853 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J03 compound treatment 0.491 0.00352 0.11 0.498 0.00673 0.2 0.2192 0.9613 3559146 ACon1_000503 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J04 compound treatment 0.495 0.00752 0.24 0.496 0.00473 0.14 0.2662 0.9689 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J05 mock treatment 0.485 -0.00248 -0.08 0.481 -0.0103 -0.3 -0.2704 -0.8607 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J06 mock treatment 0.502 0.0145 0.46 0.484 -0.00727 -0.22 0.1704 0.3377 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J07 compound treatment 0.49 0.00252 0.08 0.486 -0.00527 -0.16 -0.0545 -0.3112 3559937 ACon1_000505 C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)C[C@@H]67)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J08 compound treatment 0.543 0.0555 1.75 0.558 0.0667 1.98 2.6325 0.9981 3558531 ACon1_000506 O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O)OC(=O)/C=C/c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J09 compound treatment 0.511 0.0235 0.74 0.503 0.0117 0.35 0.7686 0.9407 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J10 compound treatment 0.506 0.0185 0.58 0.503 0.0117 0.35 0.6575 0.9696 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J11 compound treatment 0.507 0.0195 0.61 0.509 0.0177 0.53 0.8054 0.997 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J12 compound treatment 0.526 0.0385 1.21 0.517 0.0257 0.76 1.3955 0.9751 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J13 compound treatment 0.496 0.00852 0.27 0.498 0.00673 0.2 0.3304 0.9895 154 ACon1_000511 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@@]32CC[C@]4(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J14 compound treatment 0.498 0.0105 0.33 0.477 -0.0143 -0.42 -0.0652 -0.1214 3554559 ACon1_000512 COC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=C)C[C@]3(O)[C@@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@@]23C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J15 compound treatment 0.511 0.0235 0.74 0.497 0.00573 0.17 0.6429 0.8474 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J16 compound treatment 0.492 0.00452 0.14 0.49 -0.00127 -0.04 0.0738 0.5024 3558004 ACon1_000514 OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(COC(=O)/C=C/c4ccccc4)[C@H]32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J17 compound treatment 0.5 0.0125 0.39 0.502 0.0107 0.32 0.5031 0.9944 3552617 ACon1_000515 C[C@@H]1[C@@H](C[C@]23COC(=O)C3=CCC[C@@H]2[C@@]1(C)CC(OC(=O)C)c4ccoc4)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J18 compound treatment 0.595 0.108 3.38 0.593 0.102 3.01 4.522 0.9984 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J19 compound treatment 0.493 0.00552 0.17 0.503 0.0117 0.35 0.3684 0.9484 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J20 compound treatment 0.508 0.0205 0.65 0.514 0.0227 0.67 0.9324 0.9998 3554280 ACon1_000518 CCCCCCC(C)C/C(=C\C(CO)\C=C(/C)\C=C\C(O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J21 mock treatment 0.567 0.0795 2.5 0.475 -0.0163 -0.48 1.4271 0.5604 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J22 mock treatment 0.494 0.00652 0.2 0.478 -0.0133 -0.39 -0.1332 -0.3003 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J23 compound treatment 0.481 -0.00648 -0.2 0.485 -0.00627 -0.19 -0.2755 -0.9989 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 J24 compound treatment 0.516 0.0285 0.9 0.527 0.0357 1.06 1.3827 0.9966 3558337 ACon1_000520 O[C@@H]1C=C(C[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K01 compound treatment 0.533 0.0455 1.43 0.541 0.0497 1.47 2.054 0.9999 3557834 ACon1_000521 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K02 compound treatment 0.493 0.00552 0.17 0.499 0.00773 0.23 0.2846 0.9906 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K03 compound treatment 0.572 0.0845 2.66 0.594 0.103 3.04 4.0316 0.9977 3558017 ACon1_000523 COc1cc(O)c2c(=O)c(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)C(O)C3O)c(oc2c1)c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K04 compound treatment 0.536 0.0485 1.53 0.531 0.0397 1.18 1.9112 0.9918 3554289 ACon1_000524 CCCCCCCC(=O)O[C@H]1[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@@H](C[C@@](C)(OC(=O)C)[C@H]12)OC(=O)C(C)CC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K05 compound treatment 0.505 0.0175 0.55 0.496 0.00473 0.14 0.4886 0.8597 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K06 compound treatment 0.5 0.0125 0.39 0.504 0.0127 0.38 0.545 0.9998 3555625 ACon1_000526 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc3ccc(O)cc3COC(=O)C4(O)C=CCCC4=O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K07 mock treatment 0.482 -0.00548 -0.17 0.497 0.00573 0.17 -0.0019 -0.0077 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K08 mock treatment 0.487 -4.84E-4 -0.02 0.487 -0.00427 -0.13 -0.1002 -0.7865 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K09 compound treatment 0.504 0.0165 0.52 0.503 0.0117 0.35 0.613 0.9809 3559841 ACon1_000527 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](COC(=O)C)[C@@H](O)[C@@H](O)[C@H]5O)c(O)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K10 compound treatment 0.507 0.0195 0.61 0.477 -0.0143 -0.42 0.1349 0.1811 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K11 compound treatment 0.493 0.00552 0.17 0.502 0.0107 0.32 0.3475 0.9594 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K12 compound treatment 0.496 0.00852 0.27 0.488 -0.00327 -0.1 0.1208 0.4243 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K13 compound treatment 0.515 0.0275 0.87 0.5 0.00873 0.26 0.7947 0.88 3559595 ACon1_000531 C/C/1=C\CC[C@@]2(C)O[C@@H]2C[C@H]3[C@H](C1)OC(=O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K14 compound treatment 0.484 -0.00348 -0.11 0.508 0.0167 0.5 0.2731 0.5379 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K15 mock treatment 0.51 0.0225 0.71 0.509 0.0177 0.53 0.8721 0.9892 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K16 mock treatment 0.494 0.00652 0.2 0.485 -0.00627 -0.19 0.0135 0.0488 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K17 compound treatment 0.51 0.0225 0.71 0.499 0.00773 0.23 0.6626 0.8904 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K18 compound treatment 0.482 -0.00548 -0.17 0.492 7.3E-4 0.02 -0.1066 -0.6136 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K19 compound treatment 0.515 0.0275 0.87 0.507 0.0157 0.47 0.9414 0.9579 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K20 compound treatment 0.509 0.0215 0.68 0.488 -0.00327 -0.1 0.4099 0.5997 3558949 ACon1_000536 C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K21 compound treatment 0.489 0.00152 0.05 0.504 0.0127 0.38 0.3004 0.7902 3552947 ACon1_000537 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K22 compound treatment 0.488 5.16E-4 0.02 0.468 -0.0233 -0.69 -0.4761 -0.6903 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K23 mock treatment 0.484 -0.00348 -0.11 0.502 0.0107 0.32 0.1474 0.4382 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 K24 mock treatment 0.607 0.12 3.76 0.498 0.00673 0.2 2.7983 0.7436 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L01 compound treatment 0.508 0.0205 0.65 0.522 0.0307 0.91 1.1 0.9857 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L02 compound treatment 0.494 0.00652 0.2 0.501 0.00973 0.29 0.3488 0.986 3559718 ACon1_000540 C[C@H]1C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H](C[C@]12C)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L03 compound treatment 0.49 0.00252 0.08 0.512 0.0207 0.61 0.4903 0.7916 3558002 ACon1_000541 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L04 compound treatment 0.482 -0.00548 -0.17 0.499 0.00773 0.23 0.04 0.1397 3559482 ACon1_000542 C/C=C(\C)/C(=O)O[C@@H]1C\C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L05 compound treatment 0.501 0.0135 0.42 0.486 -0.00527 -0.16 0.1901 0.4199 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L06 compound treatment 0.51 0.0225 0.71 0.505 0.0137 0.41 0.7883 0.9654 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L07 mock treatment 0.487 -4.84E-4 -0.02 0.479 -0.0123 -0.36 -0.2678 -0.7361 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L08 mock treatment 0.483 -0.00448 -0.14 0.495 0.00373 0.11 -0.0215 -0.1202 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L09 compound treatment 0.513 0.0255 0.8 0.513 0.0217 0.64 1.0226 0.9941 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L10 compound treatment 0.49 0.00252 0.08 0.482 -0.00927 -0.27 -0.1383 -0.4838 3558539 ACon1_000546 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L11 compound treatment 0.518 0.0305 0.96 0.513 0.0217 0.64 1.1338 0.9812 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L12 compound treatment 0.495 0.00752 0.24 0.493 0.00173 0.05 0.2034 0.8409 3555408 ACon1_000548 CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L13 compound treatment 0.487 -4.84E-4 -0.02 0.488 -0.00327 -0.1 -0.0793 -0.8082 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L14 compound treatment 0.527 0.0395 1.24 0.528 0.0367 1.09 1.6482 0.9978 3558008 ACon1_000550 COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(=O)O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L15 mock treatment 0.488 5.16E-4 0.02 0.5 0.00873 0.26 0.1944 0.75 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L16 mock treatment 0.486 -0.00148 -0.05 0.493 0.00173 0.05 0.0033 0.047 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L17 compound treatment 0.495 0.00752 0.24 0.494 0.00273 0.08 0.2243 0.898 2060138 ACon1_000551 C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L18 compound treatment 0.488 5.16E-4 0.02 0.489 -0.00227 -0.07 -0.0361 -0.5215 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L19 compound treatment 0.488 5.16E-4 0.02 0.5 0.00873 0.26 0.1944 0.75 3559721 ACon1_000553 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)C31)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L20 compound treatment 0.508 0.0205 0.65 0.488 -0.00327 -0.1 0.3876 0.5942 3558114 ACon1_000554 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L21 compound treatment 0.511 0.0235 0.74 0.495 0.00373 0.11 0.601 0.8039 3553337 ACon1_000555 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@@H](CC3[C@H](OC(=O)C3=C)[C@H]2C1=C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L22 compound treatment 0.481 -0.00648 -0.2 0.474 -0.0173 -0.51 -0.506 -0.9186 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L23 mock treatment 0.483 -0.00448 -0.14 0.485 -0.00627 -0.19 -0.2311 -0.9907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 L24 mock treatment 0.508 0.0205 0.65 0.502 0.0107 0.32 0.681 0.9469 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M01 compound treatment 0.532 0.0445 1.4 0.526 0.0347 1.03 1.7175 0.9886 3557875 ACon1_000557 CC(CCc1ccc(O)cc1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M02 compound treatment 0.505 0.0175 0.55 0.531 0.0397 1.18 1.2219 0.9401 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M03 compound treatment 0.584 0.0965 3.03 0.601 0.11 3.25 4.4451 0.9994 3557783 ACon1_000559 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M04 compound treatment 0.491 0.00352 0.11 0.502 0.0107 0.32 0.303 0.9001 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M05 compound treatment 0.492 0.00452 0.14 0.487 -0.00427 -0.13 0.0109 0.0576 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M06 compound treatment 0.515 0.0275 0.87 0.504 0.0127 0.38 0.8785 0.9308 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M07 compound treatment 0.539 0.0515 1.62 0.524 0.0327 0.97 1.8312 0.9699 3558167 ACon1_000563 CCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M08 compound treatment 0.496 0.00852 0.27 0.495 0.00373 0.11 0.2675 0.9234 3558079 ACon1_000564 CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M09 mock treatment 0.507 0.0195 0.61 0.498 0.00673 0.2 0.5749 0.891 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M10 mock treatment 0.492 0.00452 0.14 0.495 0.00373 0.11 0.1786 0.9923 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M11 compound treatment 0.514 0.0265 0.83 0.526 0.0347 1.03 1.3172 0.9945 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M12 compound treatment 0.492 0.00452 0.14 0.494 0.00273 0.08 0.1576 0.9644 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M13 mock treatment 0.502 0.0145 0.46 0.481 -0.0103 -0.3 0.1076 0.1961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M14 mock treatment 0.502 0.0145 0.46 0.5 0.00873 0.26 0.5057 0.9638 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M15 compound treatment 0.527 0.0395 1.24 0.532 0.0407 1.21 1.732 0.9999 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M16 compound treatment 0.534 0.0465 1.46 0.536 0.0447 1.33 1.9715 0.9988 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M17 compound treatment 0.531 0.0435 1.37 0.513 0.0217 0.64 1.4228 0.9409 3614370 ACon1_000569 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)[C@@]4(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M18 compound treatment 0.464 -0.0235 -0.74 0.464 -0.0273 -0.81 -1.0935 -0.999 3554688 ACon1_000570 COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H](C=C)[C@@H]1CCOC(=O)c3cc(O)c(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M19 compound treatment 0.496 0.00852 0.27 0.488 -0.00327 -0.1 0.1208 0.4243 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M20 compound treatment 0.506 0.0185 0.58 0.491 -2.7E-4 -0.01 0.406 0.6973 3559384 ACon1_000572 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@@H](O)C[C@@H]64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M21 compound treatment 0.5 0.0125 0.39 0.492 7.3E-4 0.02 0.2936 0.7449 3557814 ACon1_000573 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M22 compound treatment 0.543 0.0555 1.75 0.537 0.0457 1.36 2.1925 0.9922 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M23 compound treatment 0.559 0.0715 2.25 0.554 0.0627 1.86 2.9044 0.9955 3558029 ACon1_000575 COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 M24 compound treatment 0.563 0.0755 2.37 0.555 0.0637 1.89 3.0143 0.9936 3559875 ACon1_000576 COc1ccc(cc1)c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N01 compound treatment 0.541 0.0535 1.68 0.53 0.0387 1.15 2.0014 0.9826 3558056 ACon1_000577 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N02 compound treatment 0.487 -4.84E-4 -0.02 0.494 0.00273 0.08 0.0464 0.5642 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N03 compound treatment 0.576 0.0885 2.78 0.596 0.105 3.1 4.1624 0.9985 3558083 ACon1_000579 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N04 compound treatment 0.536 0.0485 1.53 0.529 0.0377 1.12 1.8693 0.9883 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N05 compound treatment 0.522 0.0345 1.09 0.515 0.0237 0.7 1.2646 0.9779 3173763 ACon1_000581 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N06 compound treatment 0.488 5.16E-4 0.02 0.473 -0.0183 -0.54 -0.3713 -0.6856 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N07 compound treatment 0.514 0.0265 0.83 0.506 0.0147 0.44 0.8982 0.9544 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N08 compound treatment 0.496 0.00852 0.27 0.481 -0.0103 -0.3 -0.0258 -0.0637 3558609 ACon1_000584 COc1cc(ccc1O)[C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N09 mock treatment 0.484 -0.00348 -0.11 0.481 -0.0103 -0.3 -0.2926 -0.9048 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N10 mock treatment 0.499 0.0115 0.36 0.492 7.3E-4 0.02 0.2713 0.748 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N11 compound treatment 0.494 0.00652 0.2 0.499 0.00773 0.23 0.3068 0.9985 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N12 compound treatment 0.522 0.0345 1.09 0.527 0.0357 1.06 1.5161 0.9999 3553375 ACon1_000586 CC(=O)OC[C@@]12CCC(=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]1(C)C53CO5)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N13 mock treatment 0.489 0.00152 0.05 0.482 -0.00927 -0.27 -0.1605 -0.5758 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N14 mock treatment 0.499 0.0115 0.36 0.495 0.00373 0.11 0.3342 0.8827 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N15 compound treatment 0.522 0.0345 1.09 0.503 0.0117 0.35 1.0132 0.8891 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N16 compound treatment 0.509 0.0215 0.68 0.508 0.0167 0.5 0.8289 0.9883 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N17 compound treatment 0.52 0.0325 1.02 0.525 0.0337 1.0 1.4297 0.9999 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N18 compound treatment 0.576 0.0885 2.78 0.563 0.0717 2.13 3.471 0.9911 3558020 ACon1_000590 OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N19 compound treatment 0.484 -0.00348 -0.11 0.473 -0.0183 -0.54 -0.4603 -0.8333 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N20 compound treatment 0.505 0.0175 0.55 0.501 0.00973 0.29 0.5933 0.9544 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N21 compound treatment 0.54 0.0525 1.65 0.533 0.0417 1.24 2.042 0.9898 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N22 compound treatment 0.478 -0.00948 -0.3 0.474 -0.0173 -0.51 -0.5727 -0.967 3558104 ACon1_000594 CC1CC(=O)[C@@]2(O)[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OCCc4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N23 compound treatment 0.495 0.00752 0.24 0.517 0.0257 0.76 0.7062 0.8848 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 N24 compound treatment 0.576 0.0885 2.78 0.565 0.0737 2.18 3.5129 0.9928 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O01 compound treatment 0.552 0.0645 2.03 0.56 0.0687 2.04 2.8745 1.0 3557850 ACon1_000597 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O02 compound treatment 0.523 0.0355 1.12 0.536 0.0447 1.33 1.7269 0.9964 3558145 ACon1_000598 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC3)C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O03 compound treatment 0.475 -0.0125 -0.39 0.499 0.00773 0.23 -0.1156 -0.2544 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O04 compound treatment 0.544 0.0565 1.78 0.543 0.0517 1.53 2.3405 0.9973 3558210 ACon1_000600 Oc1ccc(/C=C/C(=O)NCCCCN(CCCN(CCCNC(=O)\C=C\c2ccc(O)cc2)C(=O)\C=C\c3ccc(O)cc3)C(=O)\C=C\c4ccc(O)cc4)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O05 compound treatment 0.497 0.00952 0.3 0.51 0.0187 0.56 0.604 0.958 3558099 ACon1_000601 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O06 compound treatment 0.499 0.0115 0.36 0.493 0.00173 0.05 0.2923 0.7992 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O07 compound treatment 0.542 0.0545 1.71 0.551 0.0597 1.77 2.4636 0.9999 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O08 compound treatment 0.534 0.0465 1.46 0.541 0.0497 1.47 2.0762 1.0 3557525 ACon1_000604 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O09 compound treatment 0.559 0.0715 2.25 0.558 0.0667 1.98 2.9883 0.9979 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O10 compound treatment 0.518 0.0305 0.96 0.532 0.0407 1.21 1.5319 0.9935 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O11 mock treatment 0.521 0.0335 1.05 0.53 0.0387 1.15 1.5567 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O12 mock treatment 0.495 0.00752 0.24 0.519 0.0277 0.82 0.7481 0.875 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O13 compound treatment 0.514 0.0265 0.83 0.511 0.0197 0.58 1.003 0.9849 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O14 compound treatment 0.521 0.0335 1.05 0.509 0.0177 0.53 1.1167 0.9483 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O15 compound treatment 0.538 0.0505 1.59 0.533 0.0417 1.24 1.9975 0.9923 3553200 ACon1_000609 CC(=CCCC(C)(O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O16 compound treatment 0.525 0.0375 1.18 0.556 0.0647 1.92 2.1904 0.9727 3074726 ACon1_000610 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O17 compound treatment 0.529 0.0415 1.31 0.553 0.0617 1.83 2.2165 0.9863 3557679 ACon1_000611 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O18 compound treatment 0.522 0.0345 1.09 0.517 0.0257 0.76 1.3065 0.9851 3559274 ACon1_000612 COc1cc(OC)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O19 compound treatment 0.497 0.00952 0.3 0.501 0.00973 0.29 0.4155 0.9998 3557735 ACon1_000613 COC1CC(O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O20 compound treatment 0.552 0.0645 2.03 0.548 0.0567 1.68 2.6231 0.9956 3558277 ACon1_000614 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c6ccc(O)cc6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O21 compound treatment 0.534 0.0465 1.46 0.541 0.0497 1.47 2.0762 1.0 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O22 compound treatment 0.514 0.0265 0.83 0.535 0.0437 1.3 1.5058 0.9773 3557897 ACon1_000616 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O23 compound treatment 0.508 0.0205 0.65 0.524 0.0327 0.97 1.1419 0.9804 3555034 ACon1_000617 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](C)[C@H](O)[C@H]2OC(=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 O24 compound treatment 0.528 0.0405 1.27 0.542 0.0507 1.5 1.9638 0.9966 3559877 ACon1_000618 OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P01 compound treatment 0.551 0.0635 2.0 0.543 0.0517 1.53 2.4961 0.9915 3559267 ACon1_000619 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)[C@H]([C@H](O)[C@](C)(CO)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P02 compound treatment 0.598 0.111 3.48 0.593 0.102 3.01 4.5887 0.9975 3559411 ACon1_000620 CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P03 compound treatment 0.542 0.0545 1.71 0.536 0.0447 1.33 2.1493 0.9919 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P04 compound treatment 0.583 0.0955 3.0 0.558 0.0667 1.98 3.5219 0.9794 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P05 compound treatment 0.62 0.133 4.17 0.626 0.135 3.99 5.7693 0.9998 3557935 ACon1_000623 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P06 compound treatment 0.543 0.0555 1.75 0.536 0.0447 1.33 2.1716 0.9908 3554108 ACon1_000624 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P07 compound treatment 0.551 0.0635 2.0 0.537 0.0457 1.36 2.3704 0.9821 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P08 compound treatment 0.522 0.0345 1.09 0.541 0.0497 1.47 1.8094 0.9887 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P09 compound treatment 0.566 0.0785 2.47 0.585 0.0937 2.78 3.7096 0.9983 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P10 compound treatment 0.544 0.0565 1.78 0.536 0.0447 1.33 2.1938 0.9896 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P11 mock treatment 0.513 0.0255 0.8 0.549 0.0577 1.71 1.7769 0.9405 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P12 mock treatment 0.527 0.0395 1.24 0.539 0.0477 1.41 1.8787 0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P13 compound treatment 0.558 0.0705 2.22 0.564 0.0727 2.16 3.0917 0.9999 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P14 compound treatment 0.541 0.0535 1.68 0.552 0.0607 1.8 2.4623 0.9994 3557957 ACon1_000630 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(C)C(O)CC31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P15 compound treatment 0.565 0.0775 2.44 0.559 0.0677 2.01 3.1426 0.9953 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P16 compound treatment 0.584 0.0965 3.03 0.585 0.0937 2.78 4.1098 0.999 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P17 compound treatment 0.54 0.0525 1.65 0.549 0.0577 1.71 2.3772 0.9998 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P18 compound treatment 0.585 0.0975 3.07 0.588 0.0967 2.87 4.1949 0.9994 3558198 ACon1_000634 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P19 compound treatment 0.533 0.0455 1.43 0.53 0.0387 1.15 1.8235 0.994 3559409 ACon1_000635 CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P20 compound treatment 0.541 0.0535 1.68 0.535 0.0437 1.3 2.1061 0.9917 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P21 compound treatment 0.513 0.0255 0.8 0.536 0.0447 1.33 1.5045 0.9711 1001932 ACon1_000637 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P22 compound treatment 0.549 0.0615 1.93 0.548 0.0567 1.68 2.5564 0.9976 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P23 compound treatment 0.527 0.0395 1.24 0.537 0.0457 1.36 1.8368 0.9991 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2291 P24 compound treatment 0.554 0.0665 2.09 0.581 0.0897 2.66 3.359 0.9929 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A01 compound treatment 0.515 0.0245 0.77 0.502 0.0153 0.45 0.8669 0.9682 3558339 ACon1_000641 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A02 compound treatment 0.514 0.0235 0.74 0.513 0.0263 0.78 1.0752 0.9996 3558365 ACon1_000642 CC(=CCC/C(=C/C(C/C(=C/C(CC(C)(O)C=C)OC(=O)C)/C)OC(=O)C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A03 compound treatment 0.534 0.0435 1.37 0.543 0.0563 1.67 2.1484 0.9951 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A04 compound treatment 0.472 -0.0185 -0.58 0.458 -0.0287 -0.85 -1.0111 -0.9828 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A05 compound treatment 0.511 0.0205 0.65 0.523 0.0363 1.08 1.218 0.97 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A06 compound treatment 0.496 0.00553 0.17 0.504 0.0173 0.51 0.4864 0.8965 3558221 ACon1_000646 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A07 compound treatment 0.533 0.0425 1.34 0.538 0.0513 1.52 2.0214 0.9979 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A08 compound treatment 0.532 0.0415 1.31 0.537 0.0503 1.49 1.9782 0.9978 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A09 compound treatment 0.46 -0.0305 -0.96 0.456 -0.0307 -0.91 -1.3198 -0.9996 3557259 ACon1_000649 COc1c(C)c(oc(=O)c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A10 compound treatment 0.492 0.00153 0.05 0.508 0.0213 0.63 0.4813 0.7587 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A11 compound treatment 0.509 0.0185 0.58 0.513 0.0263 0.78 0.964 0.9896 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A12 compound treatment 0.497 0.00653 0.21 0.504 0.0173 0.51 0.5086 0.919 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A13 mock treatment 0.5 0.00953 0.3 0.52 0.0333 0.99 0.9106 0.8819 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A14 mock treatment 0.483 -0.00747 -0.23 0.487 3.44E-4 0.01 -0.1589 -0.6758 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A15 compound treatment 0.496 0.00553 0.17 0.501 0.0143 0.43 0.4235 0.9222 3557496 ACon1_000653 CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A16 compound treatment 0.48 -0.0105 -0.33 0.477 -0.00966 -0.29 -0.4351 -0.9976 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A17 compound treatment 0.497 0.00653 0.21 0.53 0.0433 1.28 1.0534 0.8099 3558190 ACon1_000655 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@]71CCC(C)CO7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A18 compound treatment 0.491 5.31E-4 0.02 0.483 -0.00366 -0.11 -0.0648 -0.5911 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A19 compound treatment 0.488 -0.00247 -0.08 0.489 0.00234 0.07 -0.0058 -0.0555 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A20 compound treatment 0.478 -0.0125 -0.39 0.476 -0.0107 -0.32 -0.5005 -0.9942 3558454 ACon1_000658 CC1CCC23CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C13C(=CC2(C)C)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A21 compound treatment 0.523 0.0325 1.02 0.535 0.0483 1.43 1.7362 0.9864 3558413 ACon1_000659 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A22 compound treatment 0.52 0.0295 0.93 0.489 0.00234 0.07 0.7057 0.7579 3553177 ACon1_000660 CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(=C\[C@H]3OC(=O)C(=C)C31)/COC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A23 compound treatment 0.521 0.0305 0.96 0.522 0.0353 1.05 1.4194 0.9991 3558349 ACon1_000661 CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)CC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 A24 compound treatment 0.48 -0.0105 -0.33 0.475 -0.0117 -0.35 -0.477 -0.9997 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B01 compound treatment 0.478 -0.0125 -0.39 0.477 -0.00966 -0.29 -0.4796 -0.988 3558522 ACon1_000663 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C[C@H](O)[C@@](C)(O)[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B02 compound treatment 0.496 0.00553 0.17 0.491 0.00434 0.13 0.214 0.989 3558331 ACon1_000664 CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)O)C3(C)CO)C(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B03 compound treatment 0.495 0.00453 0.14 0.493 0.00634 0.19 0.2337 0.9907 3558658 ACon1_000665 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B04 compound treatment 0.456 -0.0345 -1.08 0.459 -0.0277 -0.82 -1.3458 -0.9905 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B05 compound treatment 0.46 -0.0305 -0.96 0.453 -0.0337 -1.0 -1.3826 -0.9998 3558677 ACon1_000667 C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B06 compound treatment 0.496 0.00553 0.17 0.491 0.00434 0.13 0.214 0.989 3559891 ACon1_000668 CC(CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B07 compound treatment 0.449 -0.0415 -1.3 0.447 -0.0397 -1.18 -1.7529 -0.9987 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B08 compound treatment 0.504 0.0135 0.43 0.519 0.0323 0.96 0.9785 0.9332 3557836 ACon1_000670 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B09 compound treatment 0.611 0.121 3.79 0.617 0.13 3.86 5.4109 1.0 3558686 ACon1_000671 COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B10 compound treatment 0.464 -0.0265 -0.83 0.46 -0.0267 -0.79 -1.147 -0.9997 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B11 compound treatment 0.458 -0.0325 -1.02 0.456 -0.0307 -0.91 -1.3642 -0.9983 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B12 compound treatment 0.476 -0.0145 -0.45 0.488 0.00134 0.04 -0.2935 -0.6428 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B13 mock treatment 0.464 -0.0265 -0.83 0.46 -0.0267 -0.79 -1.147 -0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B14 mock treatment 0.444 -0.0465 -1.46 0.457 -0.0297 -0.88 -1.6546 -0.9704 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B15 compound treatment 0.442 -0.0485 -1.52 0.444 -0.0427 -1.26 -1.9714 -0.9957 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B16 compound treatment 0.474 -0.0165 -0.52 0.5 0.0133 0.4 -0.0866 -0.1329 3553396 ACon1_000676 CC(=O)OCC1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@@H](O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B17 compound treatment 0.471 -0.0195 -0.61 0.473 -0.0137 -0.4 -0.719 -0.9798 3489715 ACon1_000677 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B18 compound treatment 0.467 -0.0235 -0.74 0.46 -0.0267 -0.79 -1.0803 -0.9994 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B19 compound treatment 0.443 -0.0475 -1.49 0.449 -0.0377 -1.12 -1.8444 -0.9897 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B20 compound treatment 0.455 -0.0355 -1.12 0.436 -0.0507 -1.5 -1.85 -0.9893 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B21 compound treatment 0.457 -0.0335 -1.05 0.456 -0.0307 -0.91 -1.3865 -0.9973 3557374 ACon1_000681 C/C=C/C=C/C1C=CC2CC(C)CCC2C1(C)\C(=C/3\C(=O)NC(C(C)O)C3=O)\O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B22 compound treatment 0.456 -0.0345 -1.08 0.461 -0.0257 -0.76 -1.3039 -0.985 3558646 ACon1_000682 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B23 compound treatment 0.518 0.0275 0.87 0.477 -0.00966 -0.29 0.4098 0.4495 3558270 ACon1_000683 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 B24 compound treatment 0.493 0.00253 0.08 0.49 0.00334 0.1 0.1263 0.9941 3558889 ACon1_000684 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1OC8OC(CO)C(O)C(O)C8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C01 compound treatment 0.498 0.00753 0.24 0.504 0.0173 0.51 0.5308 0.9381 3558360 ACon1_000685 COC(=O)[C@]1(C)CC[C@H](OC(=O)C)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2CC[C@](C)(C=C)[C@@H]3OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C02 compound treatment 0.477 -0.0135 -0.42 0.487 3.44E-4 0.01 -0.2923 -0.6899 3558319 ACon1_000686 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C03 compound treatment 0.484 -0.00647 -0.2 0.489 0.00234 0.07 -0.0947 -0.4407 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C04 compound treatment 0.488 -0.00247 -0.08 0.494 0.00734 0.22 0.099 0.4284 3553465 ACon1_000688 CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C05 compound treatment 0.493 0.00253 0.08 0.492 0.00534 0.16 0.1682 0.9494 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C06 compound treatment 0.476 -0.0145 -0.45 0.476 -0.0107 -0.32 -0.545 -0.9841 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C07 compound treatment 0.478 -0.0125 -0.39 0.48 -0.00666 -0.2 -0.4167 -0.9495 3558617 ACon1_000691 COC(=O)C1=COC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCCc4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C08 compound treatment 0.47 -0.0205 -0.64 0.459 -0.0277 -0.82 -1.0346 -0.9929 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C09 compound treatment 0.463 -0.0275 -0.86 0.443 -0.0437 -1.29 -1.5255 -0.9807 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C10 compound treatment 0.515 0.0245 0.77 0.49 0.00334 0.1 0.6155 0.7914 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C11 mock treatment 0.477 -0.0135 -0.42 0.476 -0.0107 -0.32 -0.5227 -0.9895 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C12 mock treatment 0.49 -4.69E-4 -0.01 0.476 -0.0107 -0.32 -0.2337 -0.7393 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C13 compound treatment 0.504 0.0135 0.43 0.479 -0.00766 -0.23 0.1404 0.2912 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C14 compound treatment 0.484 -0.00647 -0.2 0.485 -0.00166 -0.05 -0.1785 -0.8532 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C15 mock treatment 0.49 -4.69E-4 -0.01 0.473 -0.0137 -0.4 -0.2966 -0.7324 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C16 mock treatment 0.48 -0.0105 -0.33 0.478 -0.00866 -0.26 -0.4141 -0.9924 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C17 compound treatment 0.484 -0.00647 -0.2 0.475 -0.0117 -0.35 -0.3881 -0.9681 3558236 ACon1_000697 CC(C)C1(CC12)C(=O)CC2(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C18 compound treatment 0.525 0.0345 1.09 0.519 0.0323 0.96 1.4455 0.9981 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C19 compound treatment 0.467 -0.0235 -0.74 0.463 -0.0237 -0.7 -1.0175 -0.9997 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C20 compound treatment 0.477 -0.0135 -0.42 0.477 -0.00966 -0.29 -0.5018 -0.9818 3558260 ACon1_000700 CC(C)C(O)(C(C)O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C21 compound treatment 0.516 0.0255 0.8 0.514 0.0273 0.81 1.1406 1.0 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C22 compound treatment 0.474 -0.0165 -0.52 0.477 -0.00966 -0.29 -0.5685 -0.9609 3558258 ACon1_000702 C[C@H](O)C1=CC2(CC[C@H]3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C23 compound treatment 0.514 0.0235 0.74 0.498 0.0113 0.34 0.7609 0.9363 3555893 ACon1_000703 OC[C@H]1O[C@@H](Oc2cc(C(=O)O)c(O)c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 C24 compound treatment 0.519 0.0285 0.9 0.521 0.0343 1.02 1.354 0.998 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D01 compound treatment 0.51 0.0195 0.61 0.504 0.0173 0.51 0.7977 0.9961 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D02 compound treatment 0.493 0.00253 0.08 0.493 0.00634 0.19 0.1892 0.9268 3553508 ACon1_000706 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(O)[C@H](OC(=O)C)[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@]31OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D03 compound treatment 0.49 -4.69E-4 -0.01 0.497 0.0103 0.31 0.2063 0.6723 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D04 compound treatment 0.479 -0.0115 -0.36 0.478 -0.00866 -0.26 -0.4364 -0.9861 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D05 compound treatment 0.473 -0.0175 -0.55 0.463 -0.0237 -0.7 -0.8841 -0.9927 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D06 compound treatment 0.48 -0.0105 -0.33 0.479 -0.00766 -0.23 -0.3932 -0.9835 3558535 ACon1_000710 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D07 compound treatment 0.49 -4.69E-4 -0.01 0.488 0.00134 0.04 0.0177 0.4177 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D08 compound treatment 0.458 -0.0325 -1.02 0.453 -0.0337 -1.0 -1.4271 -0.9999 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D09 compound treatment 0.493 0.00253 0.08 0.477 -0.00966 -0.29 -0.146 -0.4917 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D10 compound treatment 0.502 0.0115 0.36 0.483 -0.00366 -0.11 0.1798 0.4751 3554771 ACon1_000714 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D11 mock treatment 0.479 -0.0115 -0.36 0.477 -0.00966 -0.29 -0.4573 -0.9934 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D12 mock treatment 0.501 0.0105 0.33 0.483 -0.00366 -0.11 0.1575 0.4522 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D13 compound treatment 0.484 -0.00647 -0.2 0.486 -6.56E-4 -0.02 -0.1576 -0.7712 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D14 compound treatment 0.477 -0.0135 -0.42 0.468 -0.0187 -0.55 -0.6904 -0.9913 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D15 mock treatment 0.471 -0.0195 -0.61 0.475 -0.0117 -0.35 -0.6771 -0.9633 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D16 mock treatment 0.493 0.00253 0.08 0.481 -0.00566 -0.17 -0.0622 -0.3354 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D17 compound treatment 0.482 -0.00847 -0.27 0.488 0.00134 0.04 -0.1601 -0.5948 3558202 ACon1_000717 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D18 compound treatment 0.485 -0.00547 -0.17 0.475 -0.0117 -0.35 -0.3658 -0.9481 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D19 compound treatment 0.468 -0.0225 -0.71 0.46 -0.0267 -0.79 -1.0581 -0.9985 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D20 compound treatment 0.468 -0.0225 -0.71 0.476 -0.0107 -0.32 -0.7228 -0.9341 3558603 ACon1_000720 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D21 compound treatment 0.466 -0.0245 -0.77 0.463 -0.0237 -0.7 -1.0397 -0.9989 3614430 ACon1_000721 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCC4=CC(=O)OC4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D22 compound treatment 0.438 -0.0525 -1.65 0.433 -0.0537 -1.59 -2.2908 -0.9998 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D23 compound treatment 0.47 -0.0205 -0.64 0.453 -0.0337 -1.0 -1.1603 -0.9776 3554692 ACon1_000723 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](OC(=O)CC5\C(=C\C)\C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC)[C@@H](O)[C@@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 D24 compound treatment 0.544 0.0535 1.68 0.546 0.0593 1.76 2.4336 0.9998 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E01 mock treatment 0.51 0.0195 0.61 0.512 0.0253 0.75 0.9653 0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E02 mock treatment 0.492 0.00153 0.05 0.49 0.00334 0.1 0.1041 0.945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E03 compound treatment 0.479 -0.0115 -0.36 0.468 -0.0187 -0.55 -0.6459 -0.9786 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E04 compound treatment 0.492 0.00153 0.05 0.496 0.00934 0.28 0.2298 0.8178 3558499 ACon1_000726 OCC1OC(Oc2ccc(/C=C/C(=O)OC3COC(OCC4OC(OC(C#N)c5ccccc5)C(O)C(O)C4O)C(O)C3O)cc2)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E05 compound treatment 0.464 -0.0265 -0.83 0.464 -0.0227 -0.67 -1.0632 -0.9943 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E06 compound treatment 0.509 0.0185 0.58 0.504 0.0173 0.51 0.7754 0.998 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E07 compound treatment 0.535 0.0445 1.4 0.522 0.0353 1.05 1.7307 0.9898 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E08 compound treatment 0.532 0.0415 1.31 0.536 0.0493 1.46 1.9573 0.9984 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E09 mock treatment 0.484 -0.00647 -0.2 0.479 -0.00766 -0.23 -0.3042 -0.9985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E10 mock treatment 0.494 0.00353 0.11 0.484 -0.00266 -0.08 0.0229 0.1679 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E11 compound treatment 0.49 -4.69E-4 -0.01 0.492 0.00534 0.16 0.1015 0.6385 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E12 compound treatment 0.494 0.00353 0.11 0.49 0.00334 0.1 0.1486 0.9984 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E13 compound treatment 0.511 0.0205 0.65 0.491 0.00434 0.13 0.5475 0.8317 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E14 compound treatment 0.441 -0.0495 -1.56 0.468 -0.0187 -0.55 -1.4908 -0.9031 3557896 ACon1_000734 CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1OC6OC(CO)C(O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E15 compound treatment 0.486 -0.00447 -0.14 0.481 -0.00566 -0.17 -0.2179 -0.9962 3555889 ACon1_000735 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E16 compound treatment 0.489 -0.00147 -0.05 0.492 0.00534 0.16 0.0793 0.4808 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E17 mock treatment 0.485 -0.00547 -0.17 0.473 -0.0137 -0.4 -0.4077 -0.9273 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E18 mock treatment 0.488 -0.00247 -0.08 0.477 -0.00966 -0.29 -0.2572 -0.8676 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E19 compound treatment 0.475 -0.0155 -0.49 0.468 -0.0187 -0.55 -0.7348 -0.998 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E20 compound treatment 0.474 -0.0165 -0.52 0.479 -0.00766 -0.23 -0.5266 -0.9314 3558256 ACon1_000738 OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E21 compound treatment 0.472 -0.0185 -0.58 0.474 -0.0127 -0.38 -0.6758 -0.9776 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E22 compound treatment 0.491 5.31E-4 0.02 0.486 -6.56E-4 -0.02 -0.0019 -0.0756 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E23 compound treatment 0.435 -0.0555 -1.74 0.445 -0.0417 -1.23 -2.1061 -0.9857 3558345 ACon1_000741 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 E24 compound treatment 0.645 0.155 4.86 0.608 0.121 3.6 5.9783 0.989 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F01 mock treatment 0.505 0.0145 0.46 0.51 0.0233 0.69 0.8122 0.9797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F02 mock treatment 0.494 0.00353 0.11 0.516 0.0293 0.87 0.6933 0.791 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F03 compound treatment 0.498 0.00753 0.24 0.489 0.00234 0.07 0.2166 0.8775 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F04 compound treatment 0.494 0.00353 0.11 0.482 -0.00466 -0.14 -0.019 -0.1076 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F05 compound treatment 0.48 -0.0105 -0.33 0.464 -0.0227 -0.67 -0.7075 -0.9462 3552924 ACon1_000745 C[C@H](CCC(=C)[C@@H](C)C(=O)O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F06 compound treatment 0.495 0.00453 0.14 0.489 0.00234 0.07 0.1499 0.9454 3554676 ACon1_000746 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(OC(=O)C[C@H]4\C(=C/C)\[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F07 compound treatment 0.513 0.0225 0.71 0.514 0.0273 0.81 1.0739 0.9978 3554523 ACon1_000747 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)\C(=C/C)\C)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F08 compound treatment 0.502 0.0115 0.36 0.508 0.0213 0.63 0.7036 0.9651 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F09 mock treatment 0.48 -0.0105 -0.33 0.472 -0.0147 -0.43 -0.5398 -0.9907 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F10 mock treatment 0.501 0.0105 0.33 0.491 0.00434 0.13 0.3252 0.9152 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F11 compound treatment 0.485 -0.00547 -0.17 0.477 -0.00966 -0.29 -0.3239 -0.9703 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F12 compound treatment 0.526 0.0355 1.12 0.537 0.0503 1.49 1.8448 0.9899 3558182 ACon1_000750 C/C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@]43C)C2CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F13 compound treatment 0.525 0.0345 1.09 0.525 0.0383 1.14 1.5712 0.9997 3559736 ACon1_000751 CC(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]3[C@@H](OC(=O)C=C(C)C)[C@H](O)C[C@H](C)[C@@]13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F14 compound treatment 0.505 0.0145 0.46 0.513 0.0263 0.78 0.8751 0.9675 3553501 ACon1_000752 CC(C)[C@]1(O)CC2=CC[C@H](OC1=O)/C(=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](C2)OC(=O)/C(=C/CO)/CO)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F15 compound treatment 0.496 0.00553 0.17 0.487 3.44E-4 0.01 0.1302 0.7472 3559723 ACon1_000753 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(CO)OC2[C@H]3OC(=O)C(=C)C31)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F16 compound treatment 0.498 0.00753 0.24 0.484 -0.00266 -0.08 0.1118 0.448 3558093 ACon1_000754 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F17 mock treatment 0.481 -0.00947 -0.3 0.492 0.00534 0.16 -0.0986 -0.2923 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F18 mock treatment 0.485 -0.00547 -0.17 0.492 0.00534 0.16 -0.0096 -0.0412 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F19 compound treatment 0.476 -0.0145 -0.45 0.493 0.00634 0.19 -0.1888 -0.3835 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F20 compound treatment 0.496 0.00553 0.17 0.505 0.0183 0.54 0.5073 0.889 3558634 ACon1_000756 CCC(C)(O)CC(=O)O[C@H]/1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC\C=C1/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F21 compound treatment 0.528 0.0375 1.18 0.513 0.0263 0.78 1.3864 0.9799 3614460 ACon1_000757 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F22 compound treatment 0.498 0.00753 0.24 0.491 0.00434 0.13 0.2585 0.9589 3555003 ACon1_000758 COc1cc(oc(=O)c1)c2c(C)cc(O)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F23 compound treatment 0.486 -0.00447 -0.14 0.481 -0.00566 -0.17 -0.2179 -0.9962 3557852 ACon1_000759 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 F24 compound treatment 0.535 0.0445 1.4 0.506 0.0193 0.57 1.3954 0.9223 3558059 ACon1_000760 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](OC5OCC(O)(CO)C5O)[C@H](O)[C@H]4O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G01 compound treatment 0.541 0.0505 1.59 0.527 0.0403 1.2 1.9688 0.9902 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G02 compound treatment 0.5 0.00953 0.3 0.496 0.00934 0.28 0.4077 0.9992 3558440 ACon1_000762 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H](C(=C)CO)[C@@](C)(C[C@@H]2O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G03 mock treatment 0.481 -0.00947 -0.3 0.482 -0.00466 -0.14 -0.3081 -0.9389 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G04 mock treatment 0.472 -0.0185 -0.58 0.474 -0.0127 -0.38 -0.6758 -0.9776 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G05 compound treatment 0.472 -0.0185 -0.58 0.478 -0.00866 -0.26 -0.592 -0.9325 3552674 ACon1_000763 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](O)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G06 compound treatment 0.486 -0.00447 -0.14 0.478 -0.00866 -0.26 -0.2807 -0.9599 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G07 compound treatment 0.481 -0.00947 -0.3 0.478 -0.00866 -0.26 -0.3919 -0.9972 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G08 compound treatment 0.49 -4.69E-4 -0.01 0.491 0.00434 0.13 0.0806 0.6221 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G09 compound treatment 0.483 -0.00747 -0.23 0.483 -0.00366 -0.11 -0.2427 -0.9383 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G10 compound treatment 0.513 0.0225 0.71 0.521 0.0343 1.02 1.2206 0.9843 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G11 compound treatment 0.488 -0.00247 -0.08 0.491 0.00434 0.13 0.0361 0.2403 3558069 ACon1_000769 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3CCC(CO)[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G12 compound treatment 0.486 -0.00447 -0.14 0.486 -6.56E-4 -0.02 -0.1131 -0.7974 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G13 compound treatment 0.513 0.0225 0.71 0.507 0.0203 0.6 0.9272 0.9968 3558151 ACon1_000771 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G14 compound treatment 0.491 5.31E-4 0.02 0.472 -0.0147 -0.43 -0.2953 -0.6794 3557929 ACon1_000772 C[C@@]12C[C@@H](O)[C@@H]3C[C@@]2(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)c5ccccc5)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G15 compound treatment 0.51 0.0195 0.61 0.472 -0.0147 -0.43 0.1272 0.1691 3558123 ACon1_000773 COc1ccc(/C=C/C(=O)O[C@]2(C)CCC3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G16 compound treatment 0.495 0.00453 0.14 0.488 0.00134 0.04 0.1289 0.8713 3557915 ACon1_000774 COc1c(OC2OC(CO)C(O)C(O)C2O)ccc(O)c1C(=O)OCc3ccccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G17 compound treatment 0.489 -0.00147 -0.05 0.5 0.0133 0.4 0.2469 0.6203 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G18 compound treatment 0.524 0.0335 1.05 0.494 0.00734 0.22 0.8994 0.8354 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G19 mock treatment 0.486 -0.00447 -0.14 0.484 -0.00266 -0.08 -0.155 -0.9625 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G20 mock treatment 0.474 -0.0165 -0.52 0.456 -0.0307 -0.91 -1.0085 -0.9645 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G21 compound treatment 0.492 0.00153 0.05 0.486 -6.56E-4 -0.02 0.0203 0.3909 3558300 ACon1_000777 CC(CO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=O)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G22 compound treatment 0.48 -0.0105 -0.33 0.464 -0.0227 -0.67 -0.7075 -0.9462 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G23 compound treatment 0.512 0.0215 0.68 0.43 -0.0567 -1.68 -0.7084 -0.3913 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 G24 compound treatment 0.497 0.00653 0.21 0.486 -6.56E-4 -0.02 0.1315 0.6373 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H01 compound treatment 0.531 0.0405 1.27 0.526 0.0393 1.17 1.7255 0.999 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H02 compound treatment 0.538 0.0475 1.49 0.546 0.0593 1.76 2.3002 0.9967 3558708 ACon1_000782 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)/C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H03 mock treatment 0.471 -0.0195 -0.61 0.486 -6.56E-4 -0.02 -0.4466 -0.7292 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H04 mock treatment 0.482 -0.00847 -0.27 0.479 -0.00766 -0.23 -0.3487 -0.9968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H05 compound treatment 0.482 -0.00847 -0.27 0.494 0.00734 0.22 -0.0344 -0.1001 3552202 ACon1_000783 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H06 compound treatment 0.529 0.0385 1.21 0.525 0.0383 1.14 1.6601 0.9995 3558285 ACon1_000784 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%101CCC(C)CO%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H07 compound treatment 0.453 -0.0375 -1.18 0.469 -0.0177 -0.52 -1.203 -0.9332 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H08 compound treatment 0.519 0.0285 0.9 0.512 0.0253 0.75 1.1654 0.9961 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H09 compound treatment 0.52 0.0295 0.93 0.527 0.0403 1.2 1.5019 0.9922 3558737 ACon1_000787 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H10 compound treatment 0.502 0.0115 0.36 0.512 0.0253 0.75 0.7874 0.9442 3559235 ACon1_000788 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H11 compound treatment 0.504 0.0135 0.43 0.5 0.0133 0.4 0.5804 0.9993 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H12 compound treatment 0.493 0.00253 0.08 0.486 -6.56E-4 -0.02 0.0425 0.5191 3552656 ACon1_000790 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)c3ccccc3)[C@@H]4[C@@H](OC(=O)C)[C@]12OC4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H13 compound treatment 0.516 0.0255 0.8 0.508 0.0213 0.63 1.0149 0.993 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H14 compound treatment 0.491 5.31E-4 0.02 0.49 0.00334 0.1 0.0819 0.8148 3557252 ACon1_000792 CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H15 compound treatment 0.486 -0.00447 -0.14 0.495 0.00834 0.25 0.0755 0.2654 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H16 compound treatment 0.51 0.0195 0.61 0.489 0.00234 0.07 0.4834 0.7821 3558095 ACon1_000794 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)/C(=C/C)/C)[C@]5(C)[C@H](CC[C@]5(O)[C@]4(O)CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H17 compound treatment 0.486 -0.00447 -0.14 0.496 0.00934 0.28 0.0964 0.3105 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H18 compound treatment 0.486 -0.00447 -0.14 0.496 0.00934 0.28 0.0964 0.3105 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H19 mock treatment 0.491 5.31E-4 0.02 0.477 -0.00966 -0.29 -0.1905 -0.6647 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H20 mock treatment 0.492 0.00153 0.05 0.478 -0.00866 -0.26 -0.1473 -0.5645 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H21 compound treatment 0.495 0.00453 0.14 0.472 -0.0147 -0.43 -0.2063 -0.4514 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H22 compound treatment 0.502 0.0115 0.36 0.494 0.00734 0.22 0.4103 0.9702 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H23 compound treatment 0.487 -0.00347 -0.11 0.505 0.0183 0.54 0.3072 0.5542 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 H24 compound treatment 0.51 0.0195 0.61 0.505 0.0183 0.54 0.8186 0.9981 3558108 ACon1_000800 CC1(C)[C@H]2C[C@@H]1C(=CC2)CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I01 compound treatment 0.514 0.0235 0.74 0.538 0.0513 1.52 1.599 0.9451 3558341 ACon1_000801 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I02 compound treatment 0.468 -0.0225 -0.71 0.47 -0.0167 -0.49 -0.8486 -0.9846 3558497 ACon1_000802 CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4[C@H](OC(=O)C4=C)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I03 compound treatment 0.501 0.0105 0.33 0.492 0.00534 0.16 0.3461 0.943 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I04 compound treatment 0.484 -0.00647 -0.2 0.468 -0.0187 -0.55 -0.5347 -0.9078 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I05 mock treatment 0.493 0.00253 0.08 0.477 -0.00966 -0.29 -0.146 -0.4917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I06 mock treatment 0.469 -0.0215 -0.68 0.48 -0.00666 -0.2 -0.6168 -0.877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I07 compound treatment 0.477 -0.0135 -0.42 0.485 -0.00166 -0.05 -0.3342 -0.7838 3557857 ACon1_000805 COc1c2ccoc2c(OC)c3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I08 compound treatment 0.506 0.0155 0.49 0.496 0.00934 0.28 0.5411 0.9639 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I09 compound treatment 0.506 0.0155 0.49 0.492 0.00534 0.16 0.4573 0.8907 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I10 compound treatment 0.491 5.31E-4 0.02 0.489 0.00234 0.07 0.0609 0.8529 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I11 compound treatment 0.493 0.00253 0.08 0.484 -0.00266 -0.08 6.0E-4 0.0056 3558071 ACon1_000809 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccc(O)cc3)[C@H]4CCC(CO)[C@H]41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I12 compound treatment 0.51 0.0195 0.61 0.488 0.00134 0.04 0.4624 0.7514 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I13 compound treatment 0.496 0.00553 0.17 0.497 0.0103 0.31 0.3397 0.964 3558138 ACon1_000811 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccc(O)cc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I14 compound treatment 0.485 -0.00547 -0.17 0.488 0.00134 0.04 -0.0934 -0.5294 3555622 ACon1_000812 O[C@H]1[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(=O)Cc3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I15 compound treatment 0.476 -0.0145 -0.45 0.478 -0.00866 -0.26 -0.5031 -0.9632 3558149 ACon1_000813 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H]4C/C(=C\CC2)/C(=O)O4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I16 compound treatment 0.472 -0.0185 -0.58 0.471 -0.0157 -0.46 -0.7387 -0.9938 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I17 compound treatment 0.492 0.00153 0.05 0.498 0.0113 0.34 0.2717 0.8002 3558279 ACon1_000815 C/C(=C\CCC(O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/CCC(C)(O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I18 compound treatment 0.499 0.00853 0.27 0.486 -6.56E-4 -0.02 0.1759 0.6541 3558214 ACon1_000816 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I19 compound treatment 0.475 -0.0155 -0.49 0.474 -0.0127 -0.38 -0.6091 -0.9917 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I20 compound treatment 0.544 0.0535 1.68 0.519 0.0323 0.96 1.8679 0.9644 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I21 mock treatment 0.482 -0.00847 -0.27 0.484 -0.00266 -0.08 -0.2439 -0.8785 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I22 mock treatment 0.469 -0.0215 -0.68 0.466 -0.0207 -0.61 -0.9101 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I23 compound treatment 0.503 0.0125 0.39 0.517 0.0303 0.9 0.9144 0.9315 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 I24 compound treatment 0.499 0.00853 0.27 0.481 -0.00566 -0.17 0.0712 0.225 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J01 compound treatment 0.551 0.0605 1.9 0.549 0.0623 1.85 2.6521 0.9999 3553370 ACon1_000821 CC(=O)OC[C@@]12C[C@H](O)C(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J02 compound treatment 0.43 -0.0605 -1.9 0.431 -0.0557 -1.65 -2.5106 -0.9975 3558605 ACon1_000822 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J03 compound treatment 0.493 0.00253 0.08 0.494 0.00734 0.22 0.2102 0.907 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J04 compound treatment 0.532 0.0415 1.31 0.525 0.0383 1.14 1.7268 0.9976 3559918 ACon1_000824 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J05 mock treatment 0.502 0.0115 0.36 0.485 -0.00166 -0.05 0.2217 0.6059 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J06 mock treatment 0.479 -0.0115 -0.36 0.469 -0.0177 -0.52 -0.6249 -0.9835 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J07 compound treatment 0.472 -0.0185 -0.58 0.483 -0.00366 -0.11 -0.4872 -0.8248 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J08 compound treatment 0.511 0.0205 0.65 0.495 0.00834 0.25 0.6313 0.9132 3558372 ACon1_000826 CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J09 compound treatment 0.521 0.0305 0.96 0.518 0.0313 0.93 1.3356 0.9999 3558673 ACon1_000827 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(=O)cc(oc3c1OC)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J10 compound treatment 0.506 0.0155 0.49 0.495 0.00834 0.25 0.5201 0.9503 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J11 compound treatment 0.543 0.0525 1.65 0.505 0.0183 0.54 1.5523 0.8927 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J12 compound treatment 0.327 -0.163 -5.14 0.351 -0.136 -4.02 -6.4769 -0.9926 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J13 compound treatment 0.653 0.163 5.11 0.604 0.117 3.48 6.0724 0.9824 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J14 compound treatment 0.482 -0.00847 -0.27 0.471 -0.0157 -0.46 -0.5163 -0.9653 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J15 compound treatment 0.542 0.0515 1.62 0.518 0.0313 0.93 1.8025 0.9651 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J16 compound treatment 0.537 0.0465 1.46 0.539 0.0523 1.55 2.1313 0.9996 3558192 ACon1_000834 C[C@H]1[C@H]2[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]6O)O[C@@]91CCC(C)CO9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J17 compound treatment 0.497 0.00653 0.21 0.504 0.0173 0.51 0.5086 0.919 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J18 compound treatment 0.51 0.0195 0.61 0.501 0.0143 0.43 0.7348 0.9838 3553097 ACon1_000836 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO[C@H]6OC[C@](O)(CO)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J19 compound treatment 0.524 0.0335 1.05 0.522 0.0353 1.05 1.4861 1.0 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J20 compound treatment 0.514 0.0235 0.74 0.511 0.0243 0.72 1.0333 0.9999 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J21 mock treatment 0.487 -0.00347 -0.11 0.484 -0.00266 -0.08 -0.1328 -0.9872 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J22 mock treatment 0.484 -0.00647 -0.2 0.481 -0.00566 -0.17 -0.2623 -0.9954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J23 compound treatment 0.487 -0.00347 -0.11 0.48 -0.00666 -0.2 -0.2166 -0.961 3558317 ACon1_000839 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)C5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)c7ccc(=O)oc7)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 J24 compound treatment 0.535 0.0445 1.4 0.508 0.0213 0.63 1.4373 0.9355 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K01 compound treatment 0.57 0.0795 2.5 0.556 0.0693 2.05 3.2212 0.9952 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K02 compound treatment 0.534 0.0435 1.37 0.541 0.0543 1.61 2.1065 0.9967 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K03 compound treatment 0.503 0.0125 0.39 0.518 0.0313 0.93 0.9354 0.9271 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K04 compound treatment 0.511 0.0205 0.65 0.482 -0.00466 -0.14 0.3589 0.5437 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K05 compound treatment 0.519 0.0285 0.9 0.517 0.0303 0.9 1.2701 1.0 3557306 ACon1_000845 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C53CO5)[C@@]2(CO)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K06 compound treatment 0.474 -0.0165 -0.52 0.481 -0.00566 -0.17 -0.4847 -0.8905 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K07 mock treatment 0.472 -0.0185 -0.58 0.476 -0.0107 -0.32 -0.6339 -0.959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K08 mock treatment 0.495 0.00453 0.14 0.471 -0.0157 -0.46 -0.2273 -0.4684 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K09 compound treatment 0.503 0.0125 0.39 0.501 0.0143 0.43 0.5792 0.9993 3558035 ACon1_000847 CC1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(CO)C(O)CC31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K10 compound treatment 0.434 -0.0565 -1.78 0.467 -0.0197 -0.58 -1.6674 -0.8923 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K11 compound treatment 0.545 0.0545 1.71 0.54 0.0533 1.58 2.3301 0.9992 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K12 compound treatment 0.569 0.0785 2.47 0.546 0.0593 1.76 2.9895 0.9862 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K13 compound treatment 0.521 0.0305 0.96 0.506 0.0193 0.57 1.0841 0.9696 3558118 ACon1_000851 COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc(O)c3c(=O)cc(oc13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K14 compound treatment 0.505 0.0145 0.46 0.496 0.00934 0.28 0.5189 0.9712 3557898 ACon1_000852 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K15 mock treatment 0.507 0.0165 0.52 0.495 0.00834 0.25 0.5424 0.9423 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K16 mock treatment 0.486 -0.00447 -0.14 0.491 0.00434 0.13 -0.0083 -0.0438 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K17 compound treatment 0.494 0.00353 0.11 0.488 0.00134 0.04 0.1067 0.9043 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K18 compound treatment 0.509 0.0185 0.58 0.509 0.0223 0.66 0.8802 0.998 3558216 ACon1_000854 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(=CC2=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K19 compound treatment 0.491 5.31E-4 0.02 0.499 0.0123 0.37 0.2704 0.7386 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K20 compound treatment 0.491 5.31E-4 0.02 0.487 3.44E-4 0.01 0.019 0.9719 3558262 ACon1_000856 CC(C)C(O)(C(=O)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K21 compound treatment 0.486 -0.00447 -0.14 0.49 0.00334 0.1 -0.0293 -0.1704 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K22 compound treatment 0.507 0.0165 0.52 0.498 0.0113 0.34 0.6052 0.9777 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K23 mock treatment 0.502 0.0115 0.36 0.495 0.00834 0.25 0.4312 0.9826 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 K24 mock treatment 0.507 0.0165 0.52 0.512 0.0253 0.75 0.8986 0.9839 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L01 compound treatment 0.553 0.0625 1.97 0.552 0.0653 1.94 2.7594 1.0 3552660 ACon1_000859 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L02 compound treatment 0.576 0.0855 2.69 0.555 0.0683 2.03 3.3337 0.9902 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L03 compound treatment 0.476 -0.0145 -0.45 0.463 -0.0237 -0.7 -0.8174 -0.9781 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L04 compound treatment 0.492 0.00153 0.05 0.51 0.0233 0.69 0.5232 0.7545 3559920 ACon1_000862 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L05 compound treatment 0.407 -0.0835 -2.62 0.411 -0.0757 -2.24 -3.441 -0.9969 3558706 ACon1_000863 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L06 compound treatment 0.528 0.0375 1.18 0.53 0.0433 1.28 1.7426 0.9991 3558287 ACon1_000864 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%111CCC(C)CO%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L07 mock treatment 0.489 -0.00147 -0.05 0.492 0.00534 0.16 0.0793 0.4808 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L08 mock treatment 0.493 0.00253 0.08 0.496 0.00934 0.28 0.2521 0.8749 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L09 compound treatment 0.499 0.00853 0.27 0.513 0.0263 0.78 0.7417 0.8985 3552042 ACon1_000865 C/C=C(\C)/CC(/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C/C(O)C/C=C/C(O)C(O)C(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L10 compound treatment 0.475 -0.0155 -0.49 0.478 -0.00866 -0.26 -0.5253 -0.9553 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L11 compound treatment 0.526 0.0355 1.12 0.531 0.0443 1.31 1.7191 0.9967 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L12 compound treatment 0.512 0.0215 0.68 0.507 0.0203 0.6 0.905 0.9983 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L13 compound treatment 0.606 0.116 3.63 0.605 0.118 3.51 5.0483 0.9998 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L14 compound treatment 0.52 0.0295 0.93 0.515 0.0283 0.84 1.2505 0.9987 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L15 mock treatment 0.484 -0.00647 -0.2 0.489 0.00234 0.07 -0.0947 -0.4407 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L16 mock treatment 0.494 0.00353 0.11 0.487 3.44E-4 0.01 0.0857 0.7687 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L17 compound treatment 0.503 0.0125 0.39 0.474 -0.0127 -0.38 0.0134 0.0247 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L18 compound treatment 0.506 0.0155 0.49 0.489 0.00234 0.07 0.3944 0.7996 3553101 ACon1_000872 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L19 compound treatment 0.587 0.0965 3.04 0.561 0.0743 2.2 3.704 0.9876 3614554 ACon1_000873 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L20 compound treatment 0.441 -0.0495 -1.56 0.494 0.00734 0.22 -0.946 -0.6023 3558638 ACon1_000874 C/C=C(/C)\C(=O)O[C@H]\1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC/C=C1\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L21 compound treatment 0.447 -0.0435 -1.37 0.459 -0.0277 -0.82 -1.546 -0.9701 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L22 compound treatment 0.486 -0.00447 -0.14 0.5 0.0133 0.4 0.1802 0.4295 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L23 mock treatment 0.483 -0.00747 -0.23 0.481 -0.00566 -0.17 -0.2846 -0.9863 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 L24 mock treatment 0.504 0.0135 0.43 0.499 0.0123 0.37 0.5595 0.9972 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M01 compound treatment 0.481 -0.00947 -0.3 0.478 -0.00866 -0.26 -0.3919 -0.9972 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M02 compound treatment 0.559 0.0685 2.15 0.551 0.0643 1.91 2.8719 0.9981 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M03 compound treatment 0.526 0.0355 1.12 0.512 0.0253 0.75 1.321 0.9813 3558587 ACon1_000879 COc1cc(C[C@@H]2COC([C@@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M04 compound treatment 0.492 0.00153 0.05 0.488 0.00134 0.04 0.0622 0.9955 3554680 ACon1_000880 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OCC(C3CCC(C)C3C(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M05 compound treatment 0.546 0.0555 1.75 0.54 0.0533 1.58 2.3524 0.9988 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M06 compound treatment 0.499 0.00853 0.27 0.523 0.0363 1.08 0.9512 0.8571 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M07 compound treatment 0.527 0.0365 1.15 0.485 -0.00166 -0.05 0.7775 0.6763 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M08 compound treatment 0.508 0.0175 0.55 0.517 0.0303 0.9 1.0256 0.9724 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M09 mock treatment 0.506 0.0155 0.49 0.498 0.0113 0.34 0.583 0.9834 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M10 mock treatment 0.493 0.00253 0.08 0.476 -0.0107 -0.32 -0.167 -0.5128 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M11 compound treatment 0.514 0.0235 0.74 0.493 0.00634 0.19 0.6561 0.8594 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M12 compound treatment 0.51 0.0195 0.61 0.492 0.00534 0.16 0.5462 0.8613 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M13 mock treatment 0.5 0.00953 0.3 0.492 0.00534 0.16 0.3239 0.9555 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M14 mock treatment 0.493 0.00253 0.08 0.492 0.00534 0.16 0.1682 0.9494 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M15 compound treatment 0.514 0.0235 0.74 0.507 0.0203 0.6 0.9494 0.9948 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M16 compound treatment 0.502 0.0115 0.36 0.504 0.0173 0.51 0.6198 0.9854 3557904 ACon1_000888 Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)C[C@H](O)[C@H]2O)occc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M17 compound treatment 0.48 -0.0105 -0.33 0.484 -0.00266 -0.08 -0.2884 -0.8522 3554555 ACon1_000889 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(OC(=O)C)C3=C2CC(OC(=O)C)[C@](C)(C=C)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M18 compound treatment 0.517 0.0265 0.83 0.527 0.0403 1.2 1.4352 0.9845 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M19 compound treatment 0.509 0.0185 0.58 0.508 0.0213 0.63 0.8592 0.9992 3558411 ACon1_000891 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M20 compound treatment 0.547 0.0565 1.78 0.51 0.0233 0.69 1.746 0.9154 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M21 compound treatment 0.514 0.0235 0.74 0.505 0.0183 0.54 0.9075 0.9885 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M22 compound treatment 0.49 -4.69E-4 -0.01 0.504 0.0173 0.51 0.353 0.6865 3552748 ACon1_000894 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](Oc4ccc5c(=O)c(coc5c4)c6ccc(O)cc6)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M23 compound treatment 0.471 -0.0195 -0.61 0.482 -0.00466 -0.14 -0.5304 -0.8453 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 M24 compound treatment 0.524 0.0335 1.05 0.513 0.0263 0.78 1.2975 0.9891 3558504 ACon1_000896 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3[C@@H](C[C@H](O)C3=C)C(=C)C[C@@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N01 compound treatment 0.554 0.0635 2.0 0.543 0.0563 1.67 2.5931 0.996 3555900 ACon1_000897 OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(=O)cc(c4ccc(O)c(O)c4)c23)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N02 compound treatment 0.502 0.0115 0.36 0.484 -0.00266 -0.08 0.2007 0.541 3614577 ACon1_000898 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N03 compound treatment 0.513 0.0225 0.71 0.504 0.0173 0.51 0.8644 0.9876 3558675 ACon1_000899 COc1ccccc1c2cc(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N04 compound treatment 0.505 0.0145 0.46 0.498 0.0113 0.34 0.5608 0.9886 3559922 ACon1_000900 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N05 compound treatment 0.503 0.0125 0.39 0.494 0.00734 0.22 0.4325 0.9608 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N06 compound treatment 0.533 0.0425 1.34 0.531 0.0443 1.31 1.8748 1.0 3558417 ACon1_000902 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)\C=C\c7ccc(OC)cc7)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N07 compound treatment 0.494 0.00353 0.11 0.497 0.0103 0.31 0.2952 0.9057 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N08 compound treatment 0.485 -0.00547 -0.17 0.488 0.00134 0.04 -0.0934 -0.5294 3558683 ACon1_000904 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N09 mock treatment 0.492 0.00153 0.05 0.471 -0.0157 -0.46 -0.294 -0.6303 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N10 mock treatment 0.501 0.0105 0.33 0.491 0.00434 0.13 0.3252 0.9152 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N11 compound treatment 0.511 0.0205 0.65 0.506 0.0193 0.57 0.8618 0.9982 3614587 ACon1_000905 CC1CCC/C=C/C/C=C\C(OC(=O)/C=C\C=C\C=C\C(=O)O)/C=C/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N12 compound treatment 0.509 0.0185 0.58 0.5 0.0133 0.4 0.6916 0.9822 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N13 mock treatment 0.498 0.00753 0.24 0.495 0.00834 0.25 0.3423 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N14 mock treatment 0.499 0.00853 0.27 0.486 -6.56E-4 -0.02 0.1759 0.6541 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N15 compound treatment 0.502 0.0115 0.36 0.492 0.00534 0.16 0.3684 0.931 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N16 compound treatment 0.503 0.0125 0.39 0.499 0.0123 0.37 0.5373 0.9993 3552752 ACon1_000908 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N17 compound treatment 0.502 0.0115 0.36 0.494 0.00734 0.22 0.4103 0.9702 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N18 compound treatment 0.496 0.00553 0.17 0.501 0.0143 0.43 0.4235 0.9222 3558595 ACon1_000910 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N19 compound treatment 0.558 0.0675 2.12 0.552 0.0653 1.94 2.8706 0.9989 3614597 ACon1_000911 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(OC(=O)C)C2CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N20 compound treatment 0.546 0.0555 1.75 0.552 0.0653 1.94 2.6038 0.9987 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N21 compound treatment 0.546 0.0555 1.75 0.555 0.0683 2.03 2.6667 0.9973 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N22 compound treatment 0.549 0.0585 1.84 0.545 0.0583 1.73 2.5238 0.9995 3559260 ACon1_000914 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N23 compound treatment 0.506 0.0155 0.49 0.507 0.0203 0.6 0.7716 0.9945 3558089 ACon1_000915 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 N24 compound treatment 0.514 0.0235 0.74 0.519 0.0323 0.96 1.2009 0.9918 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O01 compound treatment 0.539 0.0485 1.53 0.542 0.0553 1.64 2.2386 0.9994 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O02 compound treatment 0.527 0.0365 1.15 0.52 0.0333 0.99 1.5109 0.9972 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O03 compound treatment 0.5 0.00953 0.3 0.5 0.0133 0.4 0.4915 0.9907 3558589 ACon1_000919 CSC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O04 compound treatment 0.491 5.31E-4 0.02 0.498 0.0113 0.34 0.2495 0.7413 3558219 ACon1_000920 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC/C(=C/CO)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O05 compound treatment 0.534 0.0435 1.37 0.537 0.0503 1.49 2.0227 0.9991 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O06 compound treatment 0.608 0.118 3.7 0.61 0.123 3.65 5.1976 1.0 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O07 compound treatment 0.514 0.0235 0.74 0.526 0.0393 1.17 1.3475 0.9759 3557981 ACon1_000923 OC[C@H]1O[C@@H](OC2OC=C(C3CCC(=C)C32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O08 compound treatment 0.55 0.0595 1.87 0.555 0.0683 2.03 2.7556 0.9992 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O09 compound treatment 0.536 0.0455 1.43 0.532 0.0453 1.34 1.9624 0.9995 3551984 ACon1_000925 C/C(=C\OC(=O)/C=C/c1ccc(O)cc1)/C(O)C2OC(=O)/C(=C\COC3OC(CO)C(O)C(O)C3O)/C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O10 compound treatment 0.499 0.00853 0.27 0.504 0.0173 0.51 0.5531 0.954 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O11 mock treatment 0.536 0.0455 1.43 0.52 0.0333 0.99 1.711 0.9836 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O12 mock treatment 0.519 0.0285 0.9 0.515 0.0283 0.84 1.2282 0.9995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O13 compound treatment 0.502 0.0115 0.36 0.498 0.0113 0.34 0.4941 0.9993 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O14 compound treatment 0.52 0.0295 0.93 0.515 0.0283 0.84 1.2505 0.9987 3557917 ACon1_000928 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2C34COC(=O)c5ccccc5)O[C@@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O15 compound treatment 0.555 0.0645 2.03 0.546 0.0593 1.76 2.6782 0.9975 3555917 ACon1_000929 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4c(O)c(O)ccc4c(=O)c3c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O16 compound treatment 0.484 -0.00647 -0.2 0.483 -0.00366 -0.11 -0.2204 -0.9565 3557831 ACon1_000930 CC1OC(OC2C(O)C(O)C(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)c(O)c5)OC2CO)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O17 compound treatment 0.518 0.0275 0.87 0.517 0.0303 0.9 1.2479 0.9998 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O18 compound treatment 0.567 0.0765 2.41 0.565 0.0783 2.32 3.3431 0.9998 3558352 ACon1_000932 C[C@]12C[C@H](OC(=O)C(=C)C(O)CO)[C@@H]3[C@H](OC(=O)C3=C)C2C(CC[C@H]1O)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O19 compound treatment 0.555 0.0645 2.03 0.575 0.0883 2.62 3.2858 0.9921 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O20 compound treatment 0.544 0.0535 1.68 0.549 0.0623 1.85 2.4965 0.9989 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O21 compound treatment 0.513 0.0225 0.71 0.517 0.0303 0.9 1.1367 0.993 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O22 compound treatment 0.531 0.0405 1.27 0.534 0.0473 1.4 1.8931 0.9989 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O23 compound treatment 0.546 0.0555 1.75 0.549 0.0623 1.85 2.5409 0.9996 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 O24 compound treatment 0.573 0.0825 2.6 0.578 0.0913 2.71 3.7489 0.9998 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P01 compound treatment 0.594 0.104 3.26 0.502 0.0153 0.45 2.6234 0.7981 3558656 ACon1_000939 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)/C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P02 compound treatment 0.527 0.0365 1.15 0.522 0.0353 1.05 1.5528 0.9989 3558684 ACon1_000940 CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P03 compound treatment 0.527 0.0365 1.15 0.518 0.0313 0.93 1.469 0.9944 3558685 ACon1_000941 CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P04 compound treatment 0.552 0.0615 1.93 0.556 0.0693 2.05 2.821 0.9995 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P05 compound treatment 0.53 0.0395 1.24 0.535 0.0483 1.43 1.8919 0.9975 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P06 compound treatment 0.546 0.0555 1.75 0.523 0.0363 1.08 1.9962 0.973 3558470 ACon1_000944 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P07 compound treatment 0.551 0.0605 1.9 0.553 0.0663 1.97 2.7359 0.9999 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P08 compound treatment 0.555 0.0645 2.03 0.583 0.0963 2.85 3.4534 0.986 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P09 compound treatment 0.556 0.0655 2.06 0.543 0.0563 1.67 2.6376 0.9946 3552709 ACon1_000947 C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)/C=C/C(=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P10 compound treatment 0.505 0.0145 0.46 0.503 0.0163 0.48 0.6655 0.9996 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P11 mock treatment 0.531 0.0405 1.27 0.525 0.0383 1.14 1.7046 0.9984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P12 mock treatment 0.521 0.0305 0.96 0.528 0.0413 1.23 1.5451 0.9927 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P13 compound treatment 0.534 0.0435 1.37 0.542 0.0553 1.64 2.1275 0.996 3553333 ACon1_000949 CC(=O)O[C@@H]1C[C@](C)(C=C)C=C2[C@H](O)CC3C(C)(C)CC[C@@H](OC(=O)C)[C@]3(C)C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P14 compound treatment 0.541 0.0505 1.59 0.553 0.0663 1.97 2.5136 0.9944 3558552 ACon1_000950 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P15 compound treatment 0.532 0.0415 1.31 0.522 0.0353 1.05 1.6639 0.994 3559386 ACon1_000951 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P16 compound treatment 0.548 0.0575 1.81 0.543 0.0563 1.67 2.4597 0.9992 3558472 ACon1_000952 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P17 compound treatment 0.548 0.0575 1.81 0.558 0.0713 2.11 2.774 0.997 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P18 compound treatment 0.524 0.0335 1.05 0.536 0.0493 1.46 1.7794 0.9871 3558599 ACon1_000954 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(O[C@H]7OC[C@](O)(CO)[C@H]7O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P19 compound treatment 0.528 0.0375 1.18 0.54 0.0533 1.58 1.9522 0.9896 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P20 compound treatment 0.601 0.111 3.48 0.59 0.103 3.06 4.6229 0.998 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P21 compound treatment 0.54 0.0495 1.56 0.541 0.0543 1.61 2.2399 0.9999 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P22 compound treatment 0.556 0.0655 2.06 0.552 0.0653 1.94 2.8261 0.9995 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P23 compound treatment 0.535 0.0445 1.4 0.551 0.0643 1.91 2.3383 0.9885 3558309 ACon1_000959 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2292 P24 compound treatment 0.56 0.0695 2.19 0.563 0.0763 2.26 3.1456 0.9999 3557994 ACon1_000960 C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)C)[C@@]3(COC(=O)C)[C@H](C[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@]13OC4(C)C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A01 compound treatment 0.343 -0.146 -4.59 0.374 -0.11 -3.25 -5.5381 -0.9857 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A02 compound treatment 0.503 0.0142 0.45 0.516 0.0324 0.96 0.9946 0.939 3554004 ACon1_000962 CC1CC23OC3(/C=C(/C)\C(O)C(O)C4C(C(O)C(C)C2=O)C4(C)C)C1OC5OC(CO)C(O)C(O)C5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A03 compound treatment 0.549 0.0602 1.89 0.538 0.0544 1.61 2.4783 0.9968 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A04 compound treatment 0.491 0.00217 0.07 0.493 0.00943 0.28 0.2459 0.8549 3558783 ACon1_000964 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A05 compound treatment 0.497 0.00817 0.26 0.508 0.0244 0.72 0.6936 0.903 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A06 compound treatment 0.539 0.0502 1.58 0.529 0.0454 1.35 2.0674 0.9969 3558578 ACon1_000966 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A07 compound treatment 0.556 0.0672 2.11 0.54 0.0564 1.67 2.6759 0.9933 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A08 compound treatment 0.506 0.0172 0.54 0.508 0.0244 0.72 0.8937 0.9896 3554998 ACon1_000968 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC45OC56CC=C(C7=CC(=O)OC7)[C@@]6(C)CCC43)C2)OC(C)C1O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A09 compound treatment 0.507 0.0182 0.57 0.542 0.0584 1.73 1.6283 0.8931 3558621 ACon1_000969 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A10 compound treatment 0.469 -0.0198 -0.62 0.49 0.00643 0.19 -0.3061 -0.4696 3558846 ACon1_000970 C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A11 compound treatment 0.523 0.0342 1.07 0.528 0.0444 1.32 1.6907 0.9949 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A12 compound treatment 0.5 0.0112 0.35 0.501 0.0174 0.52 0.6136 0.9824 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A13 mock treatment 0.504 0.0152 0.48 0.509 0.0254 0.75 0.8702 0.9757 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A14 mock treatment 0.489 1.75E-4 0.01 0.499 0.0154 0.46 0.3272 0.7155 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A15 compound treatment 0.51 0.0212 0.67 0.509 0.0254 0.75 1.0036 0.9981 3558823 ACon1_000973 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(O)C(O)C7O)OC=CC46O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A16 compound treatment 0.484 -0.00483 -0.15 0.501 0.0174 0.52 0.2579 0.4791 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A17 compound treatment 0.494 0.00517 0.16 0.5 0.0164 0.49 0.4593 0.8948 3558444 ACon1_000975 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A18 compound treatment 0.517 0.0282 0.89 0.522 0.0384 1.14 1.4316 0.9923 3558953 ACon1_000976 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A19 compound treatment 0.525 0.0362 1.14 0.534 0.0504 1.49 1.8609 0.9909 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A20 compound treatment 0.507 0.0182 0.57 0.498 0.0144 0.43 0.7064 0.9898 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A21 compound treatment 0.52 0.0312 0.98 0.52 0.0364 1.08 1.4564 0.9988 3558623 ACon1_000979 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A22 compound treatment 0.508 0.0192 0.6 0.471 -0.0126 -0.37 0.1629 0.2299 3558955 ACon1_000980 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A23 compound treatment 0.525 0.0362 1.14 0.5 0.0164 0.49 1.1485 0.9283 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 A24 compound treatment 0.497 0.00817 0.26 0.49 0.00643 0.19 0.3164 0.9891 3552069 ACon1_000982 C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@@]52O)C(=O)\C=C\C=C\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B01 compound treatment 0.461 -0.0278 -0.87 0.456 -0.0276 -0.82 -1.1964 -0.9994 3558240 ACon1_000983 C[C@@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B02 compound treatment 0.471 -0.0178 -0.56 0.458 -0.0256 -0.76 -0.9321 -0.989 3554879 ACon1_000984 COc1cc(ccc1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)cc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B03 compound treatment 0.478 -0.0108 -0.34 0.468 -0.0156 -0.46 -0.567 -0.9888 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B04 compound treatment 0.452 -0.0368 -1.16 0.441 -0.0426 -1.26 -1.7108 -0.9991 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B05 compound treatment 0.432 -0.0568 -1.79 0.436 -0.0476 -1.41 -2.2602 -0.9931 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B06 compound treatment 0.477 -0.0118 -0.37 0.469 -0.0146 -0.43 -0.5682 -0.9972 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B07 compound treatment 0.445 -0.0438 -1.38 0.444 -0.0396 -1.17 -1.8035 -0.9968 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B08 compound treatment 0.471 -0.0178 -0.56 0.45 -0.0336 -0.99 -1.0997 -0.9632 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B09 compound treatment 0.499 0.0102 0.32 0.499 0.0154 0.46 0.5495 0.9848 3554161 ACon1_000991 CCC(C)CC(C)/C=C(\C)/[C@H]1OC2=C([C@@H](O)[C@@H]1O)C(=C)N(OC)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B10 compound treatment 0.486 -0.00283 -0.09 0.497 0.0134 0.4 0.2185 0.536 3558358 ACon1_000992 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B11 compound treatment 0.46 -0.0288 -0.91 0.471 -0.0126 -0.37 -0.9043 -0.9228 3558976 ACon1_000993 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B12 compound treatment 0.454 -0.0348 -1.1 0.449 -0.0346 -1.02 -1.4987 -0.9994 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B13 mock treatment 0.45 -0.0388 -1.22 0.459 -0.0246 -0.73 -1.3781 -0.9695 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B14 mock treatment 0.461 -0.0278 -0.87 0.458 -0.0256 -0.76 -1.1545 -0.9974 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B15 compound treatment 0.433 -0.0558 -1.76 0.413 -0.0706 -2.09 -2.7199 -0.9962 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B16 compound treatment 0.479 -0.00983 -0.31 0.469 -0.0146 -0.43 -0.5238 -0.9865 3558644 ACon1_000996 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(cc(=O)oc3c1)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B17 compound treatment 0.422 -0.0668 -2.1 0.428 -0.0556 -1.65 -2.6502 -0.9927 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B18 compound treatment 0.46 -0.0288 -0.91 0.442 -0.0416 -1.23 -1.5119 -0.9886 3559079 ACon1_000998 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B19 compound treatment 0.467 -0.0218 -0.69 0.465 -0.0186 -0.55 -0.8744 -0.994 3558382 ACon1_000999 C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B20 compound treatment 0.44 -0.0488 -1.54 0.44 -0.0436 -1.29 -1.9985 -0.9963 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B21 compound treatment 0.482 -0.00683 -0.21 0.488 0.00443 0.13 -0.059 -0.2344 3559488 ACon1_001001 C/C=C(\COC(=O)C)/C(=O)O[C@@H]1CC2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C31)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B22 compound treatment 0.465 -0.0238 -0.75 0.48 -0.00357 -0.11 -0.6046 -0.7991 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B23 compound treatment 0.47 -0.0188 -0.59 0.455 -0.0286 -0.85 -1.0172 -0.9847 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 B24 compound treatment 0.512 0.0232 0.73 0.51 0.0264 0.78 1.069 0.9994 329 ACon1_001004 CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C01 compound treatment 0.525 0.0362 1.14 0.522 0.0384 1.14 1.6095 1.0 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C02 compound treatment 0.486 -0.00283 -0.09 0.475 -0.00857 -0.25 -0.2424 -0.9009 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C03 compound treatment 0.5 0.0112 0.35 0.507 0.0234 0.69 0.7393 0.9502 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C04 compound treatment 0.503 0.0142 0.45 0.479 -0.00457 -0.14 0.2194 0.4709 3555922 ACon1_001008 OC1C(O)C(COC(=O)CC2(O)C=CC(=O)C=C2)OC(OC(=O)CC3(O)C=CC(=O)C=C3)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C05 compound treatment 0.488 -8.25E-4 -0.03 0.473 -0.0106 -0.31 -0.2399 -0.7631 3552112 ACon1_001009 C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3[C@H]1CC(=O)OC[C@@H]4[C@@H](C)[C@@H](C[C@H]4C(C)CO)OC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C06 compound treatment 0.547 0.0582 1.83 0.564 0.0804 2.38 2.9786 0.9915 3558787 ACon1_001010 C[C@@H]1O[C@@H](OCC2OC(OC3C(O)C(O)C(CO)OC3OC4C(O)C(O)C(CO)OC4Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)c(O)c7)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C07 compound treatment 0.478 -0.0108 -0.34 0.485 0.00143 0.04 -0.2108 -0.6144 3558850 ACon1_001011 C[C@@H]1C(=O)[C@@H](O)[C@]2(COC(=O)C)[C@H](CCC[C@@]32CO3)[C@]41CC(OC4OC(=O)C)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C08 compound treatment 0.534 0.0452 1.42 0.534 0.0504 1.49 2.061 0.9997 3558834 ACon1_001012 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C09 compound treatment 0.483 -0.00583 -0.18 0.48 -0.00357 -0.11 -0.2044 -0.966 3554277 ACon1_001013 CCCCCC1CC(O)C(O)C(CC(=O)OC(CCC)CCCC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2NC(=O)C)OC(=O)CC(C)(O)CC(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C10 compound treatment 0.548 0.0592 1.86 0.567 0.0834 2.47 3.0637 0.9902 3558858 ACon1_001014 CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4C(C)OC(Oc5cc(O)c6c(=O)c(O)c(oc6c5)c7ccc(O)c(O)c7)C(O)C4O)C(O)C(O)C3OC(=O)/C=C/c8ccc(O)cc8)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C11 mock treatment 0.494 0.00517 0.16 0.478 -0.00557 -0.17 -0.0017 -0.0073 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C12 mock treatment 0.483 -0.00583 -0.18 0.479 -0.00457 -0.14 -0.2253 -0.989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C13 compound treatment 0.486 -0.00283 -0.09 0.49 0.00643 0.19 0.0719 0.342 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C14 compound treatment 0.564 0.0752 2.36 0.568 0.0844 2.5 3.4404 0.9996 3558795 ACon1_001016 CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C15 mock treatment 0.479 -0.00983 -0.31 0.478 -0.00557 -0.17 -0.3352 -0.9569 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C16 mock treatment 0.484 -0.00483 -0.15 0.48 -0.00357 -0.11 -0.1821 -0.9845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C17 compound treatment 0.494 0.00517 0.16 0.496 0.0124 0.37 0.3755 0.9326 3558891 ACon1_001017 CCCC1CCCCCCCCCC(=O)OC2C(OC3OC(CO)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(=O)C(C)CC)C(O)C3O)C(O)C(C)OC2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C18 compound treatment 0.518 0.0292 0.92 0.517 0.0334 0.99 1.3491 0.9993 3558933 ACon1_001018 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)O)C4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C19 compound treatment 0.502 0.0132 0.41 0.501 0.0174 0.52 0.6581 0.994 3614691 ACon1_001019 CC1CC(=O)c2c(C1)ccc3C(=O)c4cccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c4C(=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C20 compound treatment 0.477 -0.0118 -0.37 0.483 -5.71E-4 -0.02 -0.2749 -0.7385 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C21 compound treatment 0.478 -0.0108 -0.34 0.487 0.00343 0.1 -0.1689 -0.4753 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C22 compound treatment 0.47 -0.0188 -0.59 0.478 -0.00557 -0.17 -0.5353 -0.8711 3559021 ACon1_001022 CC(=C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)/C=C(\CO)/CC/C=C(/C=O)\[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C23 compound treatment 0.51 0.0212 0.67 0.501 0.0174 0.52 0.836 0.9921 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 C24 compound treatment 0.498 0.00917 0.29 0.489 0.00543 0.16 0.3177 0.962 3552625 ACon1_001024 C[C@@H]1C[C@@H](O)[C@]23CO[C@]3(CO)CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D01 compound treatment 0.599 0.11 3.46 0.629 0.145 4.31 5.4967 0.9941 3558448 ACon1_001025 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D02 compound treatment 0.493 0.00417 0.13 0.489 0.00543 0.16 0.2066 0.9949 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D03 compound treatment 0.483 -0.00583 -0.18 0.476 -0.00757 -0.22 -0.2882 -0.9949 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D04 compound treatment 0.47 -0.0188 -0.59 0.474 -0.00957 -0.28 -0.6191 -0.9432 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D05 compound treatment 0.468 -0.0208 -0.65 0.467 -0.0166 -0.49 -0.8102 -0.9899 3558585 ACon1_001029 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D06 compound treatment 0.479 -0.00983 -0.31 0.471 -0.0126 -0.37 -0.4819 -0.9957 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D07 compound treatment 0.528 0.0392 1.23 0.515 0.0314 0.93 1.5295 0.9905 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D08 compound treatment 0.482 -0.00683 -0.21 0.481 -0.00257 -0.08 -0.2056 -0.9029 3559355 ACon1_001032 COc1cc(CC(CO)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc3cc(OC)c(O)c(OC)c3)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D09 compound treatment 0.444 -0.0448 -1.41 0.432 -0.0516 -1.53 -2.0772 -0.9992 3558973 ACon1_001033 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D10 compound treatment 0.491 0.00217 0.07 0.487 0.00343 0.1 0.1202 0.9814 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D11 mock treatment 0.476 -0.0128 -0.4 0.469 -0.0146 -0.43 -0.5905 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D12 mock treatment 0.476 -0.0128 -0.4 0.484 4.29E-4 0.01 -0.2762 -0.6845 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D13 compound treatment 0.478 -0.0108 -0.34 0.465 -0.0186 -0.55 -0.6298 -0.9733 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D14 compound treatment 0.482 -0.00683 -0.21 0.469 -0.0146 -0.43 -0.4571 -0.9479 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D15 mock treatment 0.473 -0.0158 -0.5 0.485 0.00143 0.04 -0.3219 -0.6446 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D16 mock treatment 0.481 -0.00783 -0.25 0.48 -0.00357 -0.11 -0.2488 -0.929 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D17 compound treatment 0.599 0.11 3.46 0.575 0.0914 2.71 4.3653 0.9926 3559116 ACon1_001037 OC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D18 compound treatment 0.498 0.00917 0.29 0.489 0.00543 0.16 0.3177 0.962 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D19 compound treatment 0.488 -8.25E-4 -0.03 0.484 4.29E-4 0.01 -0.0094 -0.3244 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D20 compound treatment 0.478 -0.0108 -0.34 0.476 -0.00757 -0.22 -0.3993 -0.9795 3559313 ACon1_001040 COC(=O)C[C@H]1/C(=C/COC(=O)\C=C\c2ccccc2)/[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D21 compound treatment 0.461 -0.0278 -0.87 0.461 -0.0226 -0.67 -1.0916 -0.9912 3552014 ACon1_001041 C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@@H]2C[C@]31CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D22 compound treatment 0.504 0.0152 0.48 0.5 0.0164 0.49 0.6816 0.9999 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D23 compound treatment 0.477 -0.0118 -0.37 0.468 -0.0156 -0.46 -0.5892 -0.9943 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 D24 compound treatment 0.503 0.0142 0.45 0.506 0.0224 0.66 0.7851 0.9811 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E01 mock treatment 0.503 0.0142 0.45 0.511 0.0274 0.81 0.8899 0.96 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E02 mock treatment 0.489 1.75E-4 0.01 0.486 0.00243 0.07 0.0548 0.7588 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E03 compound treatment 0.49 0.00117 0.04 0.485 0.00143 0.04 0.056 0.9977 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E04 compound treatment 0.479 -0.00983 -0.31 0.464 -0.0196 -0.58 -0.6285 -0.9565 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E05 compound treatment 0.508 0.0192 0.6 0.51 0.0264 0.78 0.9801 0.9917 3558819 ACon1_001047 O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E06 compound treatment 0.488 -8.25E-4 -0.03 0.474 -0.00957 -0.28 -0.2189 -0.7686 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E07 compound treatment 0.572 0.0832 2.62 0.558 0.0744 2.21 3.4088 0.9964 3558866 ACon1_001049 C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E08 compound treatment 0.553 0.0642 2.02 0.535 0.0514 1.52 2.5044 0.9904 3558836 ACon1_001050 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E09 mock treatment 0.487 -0.00183 -0.06 0.479 -0.00457 -0.14 -0.1364 -0.9269 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E10 mock treatment 0.48 -0.00883 -0.28 0.472 -0.0116 -0.34 -0.4387 -0.9945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E11 compound treatment 0.474 -0.0148 -0.47 0.492 0.00843 0.25 -0.153 -0.2894 3558576 ACon1_001051 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E12 compound treatment 0.484 -0.00483 -0.15 0.471 -0.0126 -0.37 -0.3707 -0.9216 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E13 compound treatment 0.5 0.0112 0.35 0.483 -5.71E-4 -0.02 0.2365 0.6723 3558756 ACon1_001053 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCC(C)[C@@H]3C[C@H]4OC(=O)C5=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)/C(=C/C)/[C@@H]5CC(=O)OC[C@@H]3[C@H]4C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E14 compound treatment 0.477 -0.0118 -0.37 0.485 0.00143 0.04 -0.233 -0.6226 1859 ACon1_001054 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E15 compound treatment 0.506 0.0172 0.54 0.514 0.0304 0.9 1.0194 0.97 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E16 compound treatment 0.484 -0.00483 -0.15 0.485 0.00143 0.04 -0.0774 -0.4911 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E17 mock treatment 0.495 0.00617 0.19 0.486 0.00243 0.07 0.1882 0.9088 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E18 mock treatment 0.481 -0.00783 -0.25 0.482 -0.00157 -0.05 -0.2069 -0.8263 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E19 compound treatment 0.473 -0.0158 -0.5 0.47 -0.0136 -0.4 -0.6362 -0.9944 3557853 ACon1_001057 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC43C)C(=O)O)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E20 compound treatment 0.485 -0.00383 -0.12 0.47 -0.0136 -0.4 -0.3694 -0.8801 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E21 compound treatment 0.532 0.0432 1.36 0.532 0.0484 1.44 1.9746 0.9996 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E22 compound treatment 0.469 -0.0198 -0.62 0.463 -0.0206 -0.61 -0.8718 -0.9999 3559026 ACon1_001060 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E23 compound treatment 0.487 -0.00183 -0.06 0.485 0.00143 0.04 -0.0107 -0.1494 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 E24 compound treatment 0.467 -0.0218 -0.69 0.46 -0.0236 -0.7 -0.9791 -1.0 3552689 ACon1_001062 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F01 mock treatment 0.516 0.0272 0.85 0.511 0.0274 0.81 1.1789 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F02 mock treatment 0.496 0.00717 0.23 0.494 0.0104 0.31 0.378 0.988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F03 compound treatment 0.482 -0.00683 -0.21 0.479 -0.00457 -0.14 -0.2475 -0.9754 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F04 compound treatment 0.482 -0.00683 -0.21 0.472 -0.0116 -0.34 -0.3942 -0.9745 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F05 compound treatment 0.494 0.00517 0.16 0.492 0.00843 0.25 0.2917 0.9784 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F06 compound treatment 0.485 -0.00383 -0.12 0.484 4.29E-4 0.01 -0.0761 -0.629 3559139 ACon1_001066 C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CCC12)C(=O)C4=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F07 compound treatment 0.502 0.0132 0.41 0.493 0.00943 0.28 0.4905 0.9816 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F08 compound treatment 0.509 0.0202 0.63 0.513 0.0294 0.87 1.0652 0.9878 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F09 mock treatment 0.47 -0.0188 -0.59 0.491 0.00743 0.22 -0.2629 -0.4163 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F10 mock treatment 0.482 -0.00683 -0.21 0.47 -0.0136 -0.4 -0.4361 -0.9568 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F11 compound treatment 0.485 -0.00383 -0.12 0.484 4.29E-4 0.01 -0.0761 -0.629 3558481 ACon1_001069 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F12 compound treatment 0.523 0.0342 1.07 0.506 0.0224 0.66 1.2298 0.9733 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F13 compound treatment 0.513 0.0242 0.76 0.495 0.0114 0.34 0.777 0.9337 3559015 ACon1_001071 Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)c([C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6)c3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F14 compound treatment 0.481 -0.00783 -0.25 0.499 0.0154 0.46 0.1493 0.2875 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F15 compound treatment 0.481 -0.00783 -0.25 0.495 0.0114 0.34 0.0655 0.1564 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F16 compound treatment 0.52 0.0312 0.98 0.501 0.0174 0.52 1.0583 0.9552 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F17 mock treatment 0.5 0.0112 0.35 0.484 4.29E-4 0.01 0.2574 0.7322 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F18 mock treatment 0.492 0.00317 0.1 0.483 -5.71E-4 -0.02 0.0586 0.5789 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F19 compound treatment 0.478 -0.0108 -0.34 0.46 -0.0236 -0.7 -0.7346 -0.9454 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F20 compound treatment 0.538 0.0492 1.55 0.525 0.0414 1.23 1.9614 0.9935 3552025 ACon1_001076 C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1\C=C\[C@H](O)[C@H](C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F21 compound treatment 0.479 -0.00983 -0.31 0.478 -0.00557 -0.17 -0.3352 -0.9569 3553341 ACon1_001077 CC(=O)O[C@@H]1CC2[C@@]3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CC[C@@]2(C)[C@]4(C)CCC(O)(C14)[C@]5(C)CCC(O5)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F22 compound treatment 0.54 0.0512 1.61 0.535 0.0514 1.52 2.2154 0.9996 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F23 compound treatment 0.611 0.122 3.84 0.582 0.0984 2.92 4.7788 0.9908 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 F24 compound treatment 0.511 0.0222 0.7 0.519 0.0354 1.05 1.2354 0.9802 3558760 ACon1_001080 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@@H](O)C[C@@]31O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G01 compound treatment 0.526 0.0372 1.17 0.516 0.0324 0.96 1.506 0.9953 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G02 compound treatment 0.525 0.0362 1.14 0.532 0.0484 1.44 1.819 0.9934 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G03 mock treatment 0.468 -0.0208 -0.65 0.476 -0.00757 -0.22 -0.6217 -0.8981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G04 mock treatment 0.47 -0.0188 -0.59 0.463 -0.0206 -0.61 -0.8496 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G05 compound treatment 0.505 0.0162 0.51 0.506 0.0224 0.66 0.8296 0.9913 3555886 ACon1_001083 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c5ccc(O)c(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G06 compound treatment 0.486 -0.00283 -0.09 0.477 -0.00657 -0.19 -0.2005 -0.9368 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G07 compound treatment 0.47 -0.0188 -0.59 0.486 0.00243 0.07 -0.3677 -0.6166 3558875 ACon1_001085 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3CC=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G08 compound treatment 0.477 -0.0118 -0.37 0.484 4.29E-4 0.01 -0.2539 -0.6826 3558860 ACon1_001086 C/C(=C\CCC(C)(O)C=C)/C(=O)OCC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G09 compound treatment 0.504 0.0152 0.48 0.496 0.0124 0.37 0.5978 0.9918 3558972 ACon1_001087 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G10 compound treatment 0.557 0.0682 2.14 0.519 0.0354 1.05 2.2581 0.946 3557781 ACon1_001088 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G11 compound treatment 0.522 0.0332 1.04 0.518 0.0344 1.02 1.459 0.9999 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G12 compound treatment 0.495 0.00617 0.19 0.497 0.0134 0.4 0.4187 0.9456 3558250 ACon1_001090 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2Oc3cc4oc(=O)ccc4cc3[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G13 compound treatment 0.5 0.0112 0.35 0.468 -0.0156 -0.46 -0.0778 -0.1342 3553160 ACon1_001091 C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G14 compound treatment 0.518 0.0292 0.92 0.497 0.0134 0.4 0.93 0.9301 3558272 ACon1_001092 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O)OC(=O)/C=C/c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G15 compound treatment 0.488 -8.25E-4 -0.03 0.489 0.00543 0.16 0.0954 0.5854 3558437 ACon1_001093 CO[C@@H]1CC(OC2CCC3(C)C(CCC4(CCC(C5=CC(=O)OC5)C6(C)CCC34)C6=O)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G16 compound treatment 0.495 0.00617 0.19 0.48 -0.00357 -0.11 0.0625 0.2824 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G17 compound treatment 0.484 -0.00483 -0.15 0.49 0.00643 0.19 0.0274 0.1125 3557962 ACon1_001095 OC[C@H]1O[C@@H](O[C@@H]2OC=CC3C(O)C=C(COC(=O)c4ccccc4)C32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G18 compound treatment 0.504 0.0152 0.48 0.505 0.0214 0.63 0.7864 0.9901 3558116 ACon1_001096 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G19 mock treatment 0.501 0.0122 0.38 0.478 -0.00557 -0.17 0.154 0.3693 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G20 mock treatment 0.477 -0.0118 -0.37 0.453 -0.0306 -0.91 -0.9035 -0.9226 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G21 compound treatment 0.484 -0.00483 -0.15 0.493 0.00943 0.28 0.0903 0.2839 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G22 compound treatment 0.471 -0.0178 -0.56 0.475 -0.00857 -0.25 -0.5759 -0.9359 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G23 compound treatment 0.535 0.0462 1.45 0.541 0.0574 1.7 2.2299 0.9969 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 G24 compound treatment 0.516 0.0272 0.85 0.52 0.0364 1.08 1.3675 0.9933 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H01 compound treatment 0.519 0.0302 0.95 0.522 0.0384 1.14 1.4761 0.9959 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H02 compound treatment 0.507 0.0182 0.57 0.512 0.0284 0.84 0.9997 0.9821 3558698 ACon1_001102 CC(=O)OC/C=C(\CO)/CC/C=C(\C)/CC/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H03 mock treatment 0.469 -0.0198 -0.62 0.461 -0.0226 -0.67 -0.9137 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H04 mock treatment 0.497 0.00817 0.26 0.481 -0.00257 -0.08 0.1279 0.477 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H05 compound treatment 0.48 -0.00883 -0.28 0.484 4.29E-4 0.01 -0.1872 -0.674 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H06 compound treatment 0.482 -0.00683 -0.21 0.495 0.0114 0.34 0.0877 0.2188 3559864 ACon1_001104 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(Cc5c4nc6ccccc6c5O)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H07 compound treatment 0.474 -0.0148 -0.47 0.567 0.0834 2.47 1.4184 0.5638 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H08 compound treatment 0.476 -0.0128 -0.4 0.484 4.29E-4 0.01 -0.2762 -0.6845 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H09 compound treatment 0.52 0.0312 0.98 0.482 -0.00157 -0.05 0.6602 0.6728 3557902 ACon1_001107 COc1cc(cc(OC)c1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H10 compound treatment 0.521 0.0322 1.01 0.535 0.0514 1.52 1.7929 0.9802 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H11 compound treatment 0.492 0.00317 0.1 0.493 0.00943 0.28 0.2681 0.9038 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H12 compound treatment 0.505 0.0162 0.51 0.512 0.0284 0.84 0.9553 0.9708 3554509 ACon1_001110 CO[C@H]/1\C=C\[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H13 compound treatment 0.531 0.0422 1.33 0.505 0.0214 0.63 1.3867 0.9431 3559031 ACon1_001111 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H14 compound treatment 0.507 0.0182 0.57 0.505 0.0214 0.63 0.8531 0.9986 3554525 ACon1_001112 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)CCl)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H15 compound treatment 0.502 0.0132 0.41 0.486 0.00243 0.07 0.3438 0.8177 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H16 compound treatment 0.488 -8.25E-4 -0.03 0.498 0.0144 0.43 0.284 0.663 1106761 ACon1_001114 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CC(=O)CCc4ccc(O)cc4)O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H17 compound treatment 0.504 0.0152 0.48 0.502 0.0184 0.55 0.7235 0.9977 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H18 compound treatment 0.467 -0.0218 -0.69 0.475 -0.00857 -0.25 -0.6649 -0.9086 3558839 ACon1_001116 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H19 mock treatment 0.479 -0.00983 -0.31 0.472 -0.0116 -0.34 -0.4609 -0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H20 mock treatment 0.475 -0.0138 -0.43 0.473 -0.0106 -0.31 -0.5289 -0.9871 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H21 compound treatment 0.486 -0.00283 -0.09 0.468 -0.0156 -0.46 -0.3891 -0.828 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H22 compound treatment 0.523 0.0342 1.07 0.469 -0.0146 -0.43 0.4545 0.3925 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H23 compound treatment 0.476 -0.0128 -0.4 0.491 0.00743 0.22 -0.1295 -0.2819 3559898 ACon1_001119 C[C@@H]1C(O)O[C@@H]2[C@H]1[C@@H](O)C[C@](C)(C=C)[C@H]2C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 H24 compound treatment 0.64 0.151 4.75 0.643 0.159 4.72 6.7017 1.0 3559171 ACon1_001120 OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)C[C@@H](Oc4c2)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I01 compound treatment 0.556 0.0672 2.11 0.553 0.0694 2.06 2.9483 0.9999 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I02 compound treatment 0.519 0.0302 0.95 0.534 0.0504 1.49 1.7275 0.976 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I03 compound treatment 0.494 0.00517 0.16 0.484 4.29E-4 0.01 0.124 0.76 3559282 ACon1_001123 OC[C@H]1O[C@@H](Oc2ccc(CC=C)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I04 compound treatment 0.473 -0.0158 -0.5 0.475 -0.00857 -0.25 -0.5315 -0.9513 3558801 ACon1_001124 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=C[C@@H](O)[C@@]3(C)O)[C@@](C)(O)C[C@@H]2OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I05 mock treatment 0.473 -0.0158 -0.5 0.487 0.00343 0.1 -0.28 -0.5514 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I06 mock treatment 0.485 -0.00383 -0.12 0.475 -0.00857 -0.25 -0.2646 -0.9417 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I07 compound treatment 0.557 0.0682 2.14 0.55 0.0664 1.97 2.9076 0.9991 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I08 compound treatment 0.496 0.00717 0.23 0.479 -0.00457 -0.14 0.0637 0.2422 3554178 ACon1_001126 CCC(CCCCC(=O)CCCCC1CCC(=O)O1)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](OC(=O)C)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I09 compound treatment 0.51 0.0212 0.67 0.495 0.0114 0.34 0.7103 0.9508 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I10 compound treatment 0.666 0.177 5.57 0.621 0.137 4.07 6.8188 0.9881 3557509 ACon1_001128 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c(O)c4c(=O)cc(oc24)c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I11 compound treatment 0.511 0.0222 0.7 0.515 0.0314 0.93 1.1515 0.9898 3558722 ACon1_001129 CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C)C(OC4OC(C)C(O)C(O)C4O)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I12 compound treatment 0.484 -0.00483 -0.15 0.478 -0.00557 -0.17 -0.224 -0.9991 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I13 compound treatment 0.492 0.00317 0.1 0.485 0.00143 0.04 0.1005 0.9271 3558785 ACon1_001131 CC1(C)C2CCC1(C)C(C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I14 compound treatment 0.498 0.00917 0.29 0.484 4.29E-4 0.01 0.213 0.7375 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I15 compound treatment 0.475 -0.0138 -0.43 0.484 4.29E-4 0.01 -0.2984 -0.6862 3558862 ACon1_001133 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(OC(=O)/C(=C/CCC(C)(O)C=C)/C)C(O)C7O)OC=CC46O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I16 compound treatment 0.47 -0.0188 -0.59 0.468 -0.0156 -0.46 -0.7448 -0.9924 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I17 compound treatment 0.496 0.00717 0.23 0.496 0.0124 0.37 0.4199 0.9723 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I18 compound treatment 0.475 -0.0138 -0.43 0.482 -0.00157 -0.05 -0.3403 -0.7784 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I19 compound treatment 0.479 -0.00983 -0.31 0.489 0.00543 0.16 -0.1047 -0.3006 3557913 ACon1_001137 CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I20 compound treatment 0.469 -0.0198 -0.62 0.461 -0.0226 -0.67 -0.9137 -0.9994 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I21 mock treatment 0.487 -0.00183 -0.06 0.459 -0.0246 -0.73 -0.5554 -0.7605 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I22 mock treatment 0.493 0.00417 0.13 0.479 -0.00457 -0.14 -0.003 -0.0157 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I23 compound treatment 0.591 0.102 3.21 0.567 0.0834 2.47 4.0198 0.9916 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 I24 compound treatment 0.511 0.0222 0.7 0.491 0.00743 0.22 0.6487 0.8872 3554553 ACon1_001140 COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2[C@H](O)C[C@](C)(C=C)[C@@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J01 compound treatment 0.52 0.0312 0.98 0.525 0.0414 1.23 1.5612 0.9938 3557527 ACon1_001141 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J02 compound treatment 0.476 -0.0128 -0.4 0.48 -0.00357 -0.11 -0.36 -0.8634 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J03 compound treatment 0.489 1.75E-4 0.01 0.479 -0.00457 -0.14 -0.0919 -0.6779 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J04 compound treatment 0.501 0.0122 0.38 0.498 0.0144 0.43 0.573 0.9985 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J05 mock treatment 0.477 -0.0118 -0.37 0.477 -0.00657 -0.19 -0.4006 -0.9545 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J06 mock treatment 0.478 -0.0108 -0.34 0.486 0.00243 0.07 -0.1898 -0.5456 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J07 compound treatment 0.49 0.00117 0.04 0.498 0.0144 0.43 0.3284 0.7653 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J08 compound treatment 0.493 0.00417 0.13 0.488 0.00443 0.13 0.1856 1.0 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J09 compound treatment 0.532 0.0432 1.36 0.487 0.00343 0.1 1.0318 0.7579 3558931 ACon1_001147 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3O[C@@H](CC(=O)c3c2O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J10 compound treatment 0.492 0.00317 0.1 0.493 0.00943 0.28 0.2681 0.9038 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J11 compound treatment 0.509 0.0202 0.63 0.503 0.0194 0.58 0.8556 0.9988 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J12 compound treatment 0.534 0.0452 1.42 0.532 0.0484 1.44 2.0191 1.0 3554146 ACon1_001150 CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J13 compound treatment 0.483 -0.00583 -0.18 0.478 -0.00557 -0.17 -0.2463 -0.9987 3559043 ACon1_001151 CC(C)(O)C1CCC(C)(O1)C2[C@H](O)C[C@@]3(C)C4CC=C5C(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J14 compound treatment 0.483 -0.00583 -0.18 0.495 0.0114 0.34 0.1099 0.2855 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J15 compound treatment 0.493 0.00417 0.13 0.476 -0.00757 -0.22 -0.0658 -0.2532 3559081 ACon1_001153 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3ccc(C=C)cc3)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J16 compound treatment 0.514 0.0252 0.79 0.494 0.0104 0.31 0.7782 0.9158 3552097 ACon1_001154 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J17 compound treatment 0.48 -0.00883 -0.28 0.47 -0.0136 -0.4 -0.4806 -0.9836 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J18 compound treatment 0.499 0.0102 0.32 0.492 0.00843 0.25 0.4028 0.9925 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J19 compound treatment 0.499 0.0102 0.32 0.484 4.29E-4 0.01 0.2352 0.7346 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J20 compound treatment 0.486 -0.00283 -0.09 0.477 -0.00657 -0.19 -0.2005 -0.9368 3558844 ACon1_001158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J21 mock treatment 0.487 -0.00183 -0.06 0.476 -0.00757 -0.22 -0.1992 -0.8603 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J22 mock treatment 0.497 0.00817 0.26 0.467 -0.0166 -0.49 -0.1655 -0.2985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J23 compound treatment 0.5 0.0112 0.35 0.475 -0.00857 -0.25 0.0689 0.1588 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 J24 compound treatment 0.536 0.0472 1.48 0.519 0.0354 1.05 1.7912 0.9857 3552652 ACon1_001160 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@]4(C)[C@H](CCC=C4C)[C@@]1(C)CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K01 compound treatment 0.545 0.0562 1.77 0.528 0.0444 1.32 2.1799 0.9895 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K02 compound treatment 0.5 0.0112 0.35 0.499 0.0154 0.46 0.5717 0.9915 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K03 compound treatment 0.496 0.00717 0.23 0.502 0.0184 0.55 0.5456 0.9235 3558575 ACon1_001163 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K04 compound treatment 0.502 0.0132 0.41 0.499 0.0154 0.46 0.6162 0.9988 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K05 compound treatment 0.487 -0.00183 -0.06 0.485 0.00143 0.04 -0.0107 -0.1494 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K06 compound treatment 0.496 0.00717 0.23 0.489 0.00543 0.16 0.2733 0.9863 3552732 ACon1_001166 C[C@@H]1N2[C@H]3N(C1=O)c4ccccc4[C@@]3(O)C[C@@H]5C(=O)N[C@]2(C)c6nc7ccccc7c(=O)n56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K07 mock treatment 0.477 -0.0118 -0.37 0.491 0.00743 0.22 -0.1073 -0.2483 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K08 mock treatment 0.483 -0.00583 -0.18 0.495 0.0114 0.34 0.1099 0.2855 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K09 compound treatment 0.499 0.0102 0.32 0.503 0.0194 0.58 0.6333 0.9616 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K10 compound treatment 0.489 1.75E-4 0.01 0.491 0.00743 0.22 0.1595 0.7245 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K11 compound treatment 0.531 0.0422 1.33 0.531 0.0474 1.41 1.9315 0.9996 3558728 ACon1_001169 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C(=O)CCc4ccc(O)cc4)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K12 compound treatment 0.494 0.00517 0.16 0.488 0.00443 0.13 0.2078 0.9943 3558883 ACon1_001170 COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K13 compound treatment 0.53 0.0412 1.29 0.515 0.0314 0.93 1.574 0.9869 3558821 ACon1_001171 OCC1OC(OC2CC3C(C4OC(=O)C(=C)C4C(O)CC3=C)C2=C)C(O)C(OC(=O)/C=C/c5ccc(O)c(O)c5)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K14 compound treatment 0.479 -0.00983 -0.31 0.492 0.00843 0.25 -0.0419 -0.1054 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K15 mock treatment 0.503 0.0142 0.45 0.485 0.00143 0.04 0.3451 0.7708 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K16 mock treatment 0.49 0.00117 0.04 0.487 0.00343 0.1 0.098 0.9061 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K17 compound treatment 0.513 0.0242 0.76 0.511 0.0274 0.81 1.1122 0.9994 3558508 ACon1_001173 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/C(C)C(=O)C2(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)C2[C@H]3OC(=O)CC[C@]31OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K18 compound treatment 0.512 0.0232 0.73 0.484 4.29E-4 0.01 0.5242 0.7193 3558941 ACon1_001174 CC(C)CC(=O)c1c(O)cc(O)cc1OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K19 compound treatment 0.52 0.0312 0.98 0.508 0.0244 0.72 1.205 0.9889 3558693 ACon1_001175 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)C(C)Cl)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K20 compound treatment 0.499 0.0102 0.32 0.49 0.00643 0.19 0.3609 0.9693 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K21 compound treatment 0.525 0.0362 1.14 0.487 0.00343 0.1 0.8761 0.7672 3559019 ACon1_001177 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC=C8[C@@H]9CC(C)(C)CC[C@@]9(CC[C@]87C)C(=O)O)[C@]5(C)CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K22 compound treatment 0.483 -0.00583 -0.18 0.472 -0.0116 -0.34 -0.372 -0.9569 3559027 ACon1_001178 CC(=O)OC[C@]1(O)C[C@@]2(C[C@H]1CC[C@H]23)CC[C@@H]4[C@@](C)(CCC[C@@]34C)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K23 mock treatment 0.525 0.0362 1.14 0.485 0.00143 0.04 0.8342 0.7329 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 K24 mock treatment 0.522 0.0332 1.04 0.509 0.0254 0.75 1.2704 0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L01 compound treatment 0.514 0.0252 0.79 0.522 0.0384 1.14 1.3649 0.9842 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L02 compound treatment 0.48 -0.00883 -0.28 0.493 0.00943 0.28 0.0013 0.0034 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L03 compound treatment 0.501 0.0122 0.38 0.496 0.0124 0.37 0.5311 0.9998 3554516 ACon1_001181 CO[C@H]1C(=O)Nc2ccc(/C=C/C3(C)CCC(C)(C)CO3)c(O)c2[C@]1(O)c4ccc(OC)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L04 compound treatment 0.483 -0.00583 -0.18 0.476 -0.00757 -0.22 -0.2882 -0.9949 3559072 ACon1_001182 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L05 compound treatment 0.514 0.0252 0.79 0.506 0.0224 0.66 1.0297 0.9962 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L06 compound treatment 0.54 0.0512 1.61 0.525 0.0414 1.23 2.0059 0.9911 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L07 mock treatment 0.477 -0.0118 -0.37 0.476 -0.00757 -0.22 -0.4216 -0.9707 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L08 mock treatment 0.48 -0.00883 -0.28 0.475 -0.00857 -0.25 -0.3758 -0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L09 compound treatment 0.502 0.0132 0.41 0.492 0.00843 0.25 0.4695 0.9707 3558935 ACon1_001185 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L10 compound treatment 0.474 -0.0148 -0.47 0.481 -0.00257 -0.08 -0.3835 -0.8119 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L11 compound treatment 0.49 0.00117 0.04 0.496 0.0124 0.37 0.2865 0.7741 3557542 ACon1_001187 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)c(C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)c(O)c6)c3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L12 compound treatment 0.477 -0.0118 -0.37 0.479 -0.00457 -0.14 -0.3587 -0.9064 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L13 compound treatment 0.458 -0.0308 -0.97 0.464 -0.0196 -0.58 -1.0954 -0.9698 3558939 ACon1_001189 CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L14 compound treatment 0.538 0.0492 1.55 0.542 0.0584 1.73 2.3176 0.9984 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L15 mock treatment 0.484 -0.00483 -0.15 0.478 -0.00557 -0.17 -0.224 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L16 mock treatment 0.489 1.75E-4 0.01 0.483 -5.71E-4 -0.02 -0.0081 -0.4545 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L17 compound treatment 0.474 -0.0148 -0.47 0.471 -0.0126 -0.37 -0.593 -0.9938 3559131 ACon1_001191 C[C@@]1(CCC[C@@]2(C)C3CCC4CC3(C[C@@]4(O)CO)CCC12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L18 compound treatment 0.498 0.00917 0.29 0.489 0.00543 0.16 0.3177 0.962 3559237 ACon1_001192 O[C@H]1[C@@H](Oc2c([C@H]3[C@@H](Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)c(O)cc(O)c2C1=O)c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L19 compound treatment 0.51 0.0212 0.67 0.494 0.0104 0.31 0.6893 0.9391 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L20 compound treatment 0.521 0.0322 1.01 0.481 -0.00257 -0.08 0.6615 0.652 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L21 compound treatment 0.461 -0.0278 -0.87 0.461 -0.0226 -0.67 -1.0916 -0.9912 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L22 compound treatment 0.516 0.0272 0.85 0.502 0.0184 0.55 0.9903 0.9766 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L23 mock treatment 0.481 -0.00783 -0.25 1.083 0.599 17.76 12.3857 0.6972 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 L24 mock treatment 0.513 0.0242 0.76 0.506 0.0224 0.66 1.0074 0.9978 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M01 compound treatment 0.538 0.0492 1.55 0.547 0.0634 1.88 2.4223 0.9953 2110684 ACon1_001197 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43C=O)OC(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M02 compound treatment 0.554 0.0652 2.05 0.538 0.0544 1.61 2.5895 0.993 3558775 ACon1_001198 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M03 compound treatment 0.499 0.0102 0.32 0.497 0.0134 0.4 0.5076 0.9942 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M04 compound treatment 0.525 0.0362 1.14 0.519 0.0354 1.05 1.5466 0.9992 3558815 ACon1_001200 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M05 compound treatment 0.532 0.0432 1.36 0.509 0.0254 0.75 1.4927 0.9614 3553725 ACon1_001201 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(CN3CCCC3C(=O)O)[C@@H]21)/CO)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M06 compound treatment 0.508 0.0192 0.6 0.498 0.0144 0.43 0.7286 0.9858 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M07 compound treatment 0.49 0.00117 0.04 0.478 -0.00557 -0.17 -0.0906 -0.5357 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M08 compound treatment 0.498 0.00917 0.29 0.479 -0.00457 -0.14 0.1082 0.3395 3558868 ACon1_001204 CC(=O)CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M09 mock treatment 0.497 0.00817 0.26 0.488 0.00443 0.13 0.2745 0.9513 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M10 mock treatment 0.483 -0.00583 -0.18 0.482 -0.00157 -0.05 -0.1624 -0.8595 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M11 compound treatment 0.564 0.0752 2.36 0.536 0.0524 1.55 2.7699 0.9793 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M12 compound treatment 0.495 0.00617 0.19 0.477 -0.00657 -0.19 -4.0E-4 -0.0015 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M13 mock treatment 0.491 0.00217 0.07 0.479 -0.00457 -0.14 -0.0474 -0.3126 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M14 mock treatment 0.488 -8.25E-4 -0.03 0.484 4.29E-4 0.01 -0.0094 -0.3244 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M15 compound treatment 0.518 0.0292 0.92 0.495 0.0114 0.34 0.8881 0.9082 3558864 ACon1_001207 C/C(=C\CC[C@@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13OC(=O)\C(=C\CC[C@](C)(O)C=C)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M16 compound treatment 0.521 0.0322 1.01 0.504 0.0204 0.61 1.1434 0.9698 3558691 ACon1_001208 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(=C)CO)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M17 compound treatment 0.54 0.0512 1.61 0.547 0.0634 1.88 2.4668 0.997 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M18 compound treatment 0.506 0.0172 0.54 0.506 0.0224 0.66 0.8518 0.9947 3558942 ACon1_001210 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M19 compound treatment 0.512 0.0232 0.73 0.486 0.00243 0.07 0.5661 0.7732 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M20 compound treatment 0.527 0.0382 1.2 0.519 0.0354 1.05 1.5911 0.9978 3558700 ACon1_001212 CC(=O)OC/C=C(\C)/CC/C=C(\C)/C(C/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M21 compound treatment 0.55 0.0612 1.92 0.549 0.0654 1.94 2.7311 1.0 3614729 ACon1_001213 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M22 compound treatment 0.498 0.00917 0.29 0.543 0.0594 1.76 1.4492 0.8121 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M23 compound treatment 0.566 0.0772 2.43 0.56 0.0764 2.26 3.3173 0.9994 3558724 ACon1_001215 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 M24 compound treatment 0.537 0.0482 1.51 0.492 0.00843 0.25 1.2477 0.8127 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N01 compound treatment 0.521 0.0322 1.01 0.52 0.0364 1.08 1.4786 0.9995 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N02 compound treatment 0.506 0.0172 0.54 0.514 0.0304 0.9 1.0194 0.97 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N03 compound treatment 0.493 0.00417 0.13 0.475 -0.00857 -0.25 -0.0868 -0.3035 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N04 compound treatment 0.481 -0.00783 -0.25 0.49 0.00643 0.19 -0.0393 -0.1263 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N05 compound treatment 0.535 0.0462 1.45 0.538 0.0544 1.61 2.1671 0.9986 3558777 ACon1_001221 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N06 compound treatment 0.491 0.00217 0.07 0.501 0.0174 0.52 0.4135 0.7938 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N07 compound treatment 0.491 0.00217 0.07 0.499 0.0154 0.46 0.3716 0.8039 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N08 compound treatment 0.588 0.0992 3.12 0.607 0.123 3.66 4.7912 0.9969 3557653 ACon1_001224 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N09 mock treatment 0.479 -0.00983 -0.31 0.482 -0.00157 -0.05 -0.2514 -0.8046 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N10 mock treatment 0.505 0.0162 0.51 0.492 0.00843 0.25 0.5362 0.9464 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N11 compound treatment 0.36 -0.129 -4.05 0.346 -0.138 -4.08 -5.7468 -1.0 3559029 ACon1_001225 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N12 compound treatment 0.503 0.0142 0.45 0.494 0.0104 0.31 0.5337 0.984 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N13 mock treatment 0.494 0.00517 0.16 0.486 0.00243 0.07 0.1659 0.9327 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N14 mock treatment 0.491 0.00217 0.07 0.489 0.00543 0.16 0.1621 0.9274 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N15 compound treatment 0.505 0.0162 0.51 0.524 0.0404 1.2 1.2067 0.9272 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N16 compound treatment 0.541 0.0522 1.64 0.536 0.0524 1.55 2.2586 0.9996 3558625 ACon1_001228 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N17 compound treatment 0.488 -8.25E-4 -0.03 0.487 0.00343 0.1 0.0535 0.5101 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N18 compound treatment 0.486 -0.00283 -0.09 0.483 -5.71E-4 -0.02 -0.0748 -0.827 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N19 compound treatment 0.514 0.0252 0.79 0.516 0.0324 0.96 1.2392 0.9954 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N20 compound treatment 0.525 0.0362 1.14 0.526 0.0424 1.26 1.6933 0.9988 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N21 compound treatment 0.518 0.0292 0.92 0.502 0.0184 0.55 1.0348 0.9693 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N22 compound treatment 0.557 0.0682 2.14 0.554 0.0704 2.09 2.9915 0.9999 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N23 compound treatment 0.498 0.00917 0.29 0.478 -0.00557 -0.17 0.0873 0.2625 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 N24 compound treatment 0.614 0.125 3.94 0.631 0.147 4.37 5.8721 0.9986 3559148 ACon1_001236 OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O[C@H]5OC[C@](O)(CO)[C@H]5O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O01 compound treatment 0.548 0.0592 1.86 0.556 0.0724 2.15 2.8333 0.9975 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O02 compound treatment 0.507 0.0182 0.57 0.52 0.0364 1.08 1.1674 0.9558 3558779 ACon1_001238 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O03 compound treatment 0.493 0.00417 0.13 0.483 -5.71E-4 -0.02 0.0808 0.6108 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O04 compound treatment 0.506 0.0172 0.54 0.506 0.0224 0.66 0.8518 0.9947 3558817 ACon1_001240 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O05 compound treatment 0.527 0.0382 1.2 0.533 0.0494 1.46 1.8844 0.9951 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O06 compound treatment 0.546 0.0572 1.8 0.551 0.0674 2.0 2.684 0.9986 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O07 compound treatment 0.456 -0.0328 -1.03 0.455 -0.0286 -0.85 -1.3285 -0.9952 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O08 compound treatment 0.481 -0.00783 -0.25 0.448 -0.0356 -1.05 -0.9193 -0.8493 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O09 compound treatment 0.542 0.0532 1.67 0.518 0.0344 1.02 1.9037 0.9719 3614735 ACon1_001245 OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O10 compound treatment 0.686 0.197 6.2 0.66 0.176 5.23 8.0806 0.9964 3558880 ACon1_001246 CC1OC(OC2C(O)C(O)C(OC2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)C(=O)O)C(O)C(O)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O11 mock treatment 0.54 0.0512 1.61 0.504 0.0204 0.61 1.5658 0.9108 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O12 mock treatment 0.52 0.0312 0.98 0.495 0.0114 0.34 0.9326 0.8992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O13 compound treatment 0.543 0.0542 1.7 0.549 0.0654 1.94 2.5754 0.9979 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O14 compound treatment 0.514 0.0252 0.79 0.51 0.0264 0.78 1.1135 1.0 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O15 compound treatment 0.54 0.0512 1.61 0.517 0.0334 0.99 1.8382 0.9728 3558871 ACon1_001249 CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O16 compound treatment 0.539 0.0502 1.58 0.549 0.0654 1.94 2.4865 0.9948 3558697 ACon1_001250 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C/C)/C)C1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O17 compound treatment 0.565 0.0762 2.4 0.558 0.0744 2.21 3.2531 0.9992 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O18 compound treatment 0.585 0.0962 3.02 0.576 0.0924 2.74 4.075 0.9988 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O19 compound treatment 0.52 0.0312 0.98 0.522 0.0384 1.14 1.4983 0.9972 3558944 ACon1_001253 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O20 compound treatment 0.5 0.0112 0.35 0.516 0.0324 0.96 0.9279 0.9069 3559017 ACon1_001254 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O21 compound treatment 0.526 0.0372 1.17 0.512 0.0284 0.84 1.4222 0.9871 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O22 compound treatment 0.528 0.0392 1.23 0.482 -0.00157 -0.05 0.8381 0.6799 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O23 compound treatment 0.601 0.112 3.53 0.579 0.0954 2.83 4.4936 0.994 3558726 ACon1_001257 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc(O)c4c(=O)cc(oc34)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 O24 compound treatment 0.572 0.0832 2.62 0.536 0.0524 1.55 2.9478 0.9691 3557891 ACon1_001258 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)CC(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P01 compound treatment 0.544 0.0552 1.73 0.53 0.0464 1.38 2.1996 0.9934 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P02 compound treatment 0.565 0.0762 2.4 0.568 0.0844 2.5 3.4627 0.9998 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P03 compound treatment 0.497 0.00817 0.26 0.528 0.0444 1.32 1.1127 0.8295 3558101 ACon1_001261 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P04 compound treatment 0.532 0.0432 1.36 0.53 0.0464 1.38 1.9327 1.0 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P05 compound treatment 0.565 0.0762 2.4 0.551 0.0674 2.0 3.1065 0.9959 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P06 compound treatment 0.531 0.0422 1.33 0.516 0.0324 0.96 1.6172 0.9875 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P07 compound treatment 0.482 -0.00683 -0.21 0.469 -0.0146 -0.43 -0.4571 -0.9479 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P08 compound treatment 0.534 0.0452 1.42 0.54 0.0564 1.67 2.1867 0.9967 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P09 compound treatment 0.57 0.0812 2.55 0.526 0.0424 1.26 2.6938 0.9468 3558968 ACon1_001267 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)c(O)c6)c7ccc(O)cc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P10 compound treatment 0.603 0.114 3.59 0.588 0.104 3.09 4.7266 0.9973 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P11 mock treatment 0.547 0.0582 1.83 0.515 0.0314 0.93 1.952 0.951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P12 mock treatment 0.53 0.0412 1.29 0.529 0.0454 1.35 1.8673 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P13 compound treatment 0.533 0.0442 1.39 0.525 0.0414 1.23 1.8502 0.9981 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P14 compound treatment 0.564 0.0752 2.36 0.574 0.0904 2.68 3.5661 0.998 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P15 compound treatment 0.577 0.0882 2.77 0.583 0.0994 2.95 4.0438 0.9995 3555936 ACon1_001271 Oc1ccc(/C=C/c2cc3O[C@H]([C@@H](c3c(O)c2)c4cc5O[C@@H]([C@H](c5c(O)c4)c6cc(O)cc(O)c6)c7ccc(O)c(O)c7)c8ccc(O)cc8)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P16 compound treatment 0.561 0.0722 2.27 0.561 0.0774 2.29 3.2271 1.0 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P17 compound treatment 0.551 0.0622 1.95 0.54 0.0564 1.67 2.5647 0.997 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P18 compound treatment 0.477 -0.0118 -0.37 0.486 0.00243 0.07 -0.212 -0.5599 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P19 compound treatment 0.521 0.0322 1.01 0.528 0.0444 1.32 1.6463 0.9915 2141039 ACon1_001275 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P20 compound treatment 0.53 0.0412 1.29 0.654 0.17 5.05 4.4864 0.8606 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P21 compound treatment 0.58 0.0912 2.87 0.579 0.0954 2.83 4.0267 1.0 3552101 ACon1_001277 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P22 compound treatment 0.452 -0.0368 -1.16 0.448 -0.0356 -1.05 -1.5641 -0.9989 3558924 ACon1_001278 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P23 compound treatment 0.535 0.0462 1.45 0.547 0.0634 1.88 2.3556 0.9919 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2293 P24 compound treatment 0.572 0.0832 2.62 0.553 0.0694 2.06 3.304 0.9929 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A01 compound treatment 0.442 0.03 0.94 0.437 0.0256 0.76 1.2039 0.9942 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A02 compound treatment 0.451 0.039 1.23 0.465 0.0536 1.59 1.9907 0.9918 3557285 ACon1_001282 COC(=O)[C@]12Oc3cc(C)c(c(O)c3C(=O)C2=C(O)CC[C@@H]1O)c4ccc(O)c5C(=O)C6=C(O)C[C@H](C)[C@H](OC(=O)C)[C@@]6(Oc45)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A03 compound treatment 0.478 0.066 2.08 0.475 0.0636 1.88 2.8006 0.9988 3554124 ACon1_001283 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A04 compound treatment 0.409 -0.00298 -0.09 0.428 0.0166 0.49 0.2817 0.5622 3558541 ACon1_001284 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A05 compound treatment 0.438 0.026 0.82 0.481 0.0696 2.06 2.0369 0.918 3559091 ACon1_001285 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3OC(=O)c6cc(O)c(O)c(O)c6c7c(O)c(O)c(O)cc7C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A06 compound treatment 0.437 0.025 0.79 0.455 0.0436 1.29 1.4699 0.9717 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A07 compound treatment 0.442 0.03 0.94 0.446 0.0346 1.03 1.3925 0.9991 3557604 ACon1_001287 COc1cc(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A08 compound treatment 0.427 0.015 0.47 0.421 0.00961 0.28 0.5352 0.9707 3559066 ACon1_001288 OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)C(=O)OCc5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A09 compound treatment 0.426 0.014 0.44 0.439 0.0276 0.82 0.8901 0.9579 3559055 ACon1_001289 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A10 compound treatment 0.449 0.037 1.16 0.453 0.0416 1.23 1.6948 0.9996 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A11 compound treatment 0.443 0.031 0.98 0.448 0.0366 1.08 1.4567 0.9986 3552701 ACon1_001291 C[C@@H]1CC[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@]41C[C@@H](OC4=O)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A12 compound treatment 0.421 0.00902 0.28 0.426 0.0146 0.43 0.5066 0.9789 3559273 ACon1_001292 COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A13 mock treatment 0.445 0.033 1.04 0.444 0.0326 0.97 1.4173 0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A14 mock treatment 0.415 0.00302 0.09 0.428 0.0166 0.49 0.4151 0.8281 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A15 compound treatment 0.42 0.00802 0.25 0.414 0.00261 0.08 0.2329 0.8834 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A16 compound treatment 0.453 0.041 1.29 0.461 0.0496 1.47 1.9514 0.9979 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A17 compound treatment 0.436 0.024 0.76 0.455 0.0436 1.29 1.4477 0.9673 3552685 ACon1_001295 C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)C23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A18 compound treatment 0.459 0.047 1.48 0.459 0.0476 1.41 2.0429 0.9997 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A19 compound treatment 0.417 0.00502 0.16 0.432 0.0206 0.61 0.5433 0.8615 3189183 ACon1_001297 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A20 compound treatment 0.408 -0.00398 -0.13 0.425 0.0136 0.4 0.1966 0.4655 3559107 ACon1_001298 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC(C)(C=C3CCC12)C(=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A21 compound treatment 0.394 -0.018 -0.57 0.44 0.0286 0.85 0.1996 0.1959 3557672 ACon1_001299 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A22 compound treatment 0.43 0.018 0.57 0.437 0.0256 0.76 0.9371 0.9896 3559201 ACon1_001300 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A23 compound treatment 0.377 -0.035 -1.1 0.412 6.09E-4 0.02 -0.7651 -0.6954 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 A24 compound treatment 0.456 0.044 1.38 0.448 0.0366 1.08 1.7457 0.9927 3557367 ACon1_001302 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)C[C@@]42C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B01 compound treatment 0.4 -0.012 -0.38 0.41 -0.00139 -0.04 -0.2956 -0.7798 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B02 compound treatment 0.439 0.027 0.85 0.442 0.0306 0.91 1.242 0.9995 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B03 compound treatment 0.397 -0.015 -0.47 0.395 -0.0164 -0.49 -0.6766 -0.9999 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B04 compound treatment 0.405 -0.00698 -0.22 0.411 -3.91E-4 -0.01 -0.1635 -0.7433 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B05 compound treatment 0.439 0.027 0.85 0.428 0.0166 0.49 0.9487 0.9663 3614779 ACon1_001307 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C(=C\C)/C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B06 compound treatment 0.368 -0.044 -1.38 0.385 -0.0264 -0.78 -1.5309 -0.9636 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B07 compound treatment 0.392 -0.02 -0.63 0.399 -0.0124 -0.37 -0.7039 -0.9673 3614784 ACon1_001309 CC(C)C1=C(O)C(=O)C2=C([C@@H](CC3C(C)(C)CCC[C@@]32CO)OC(=O)C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B08 compound treatment 0.394 -0.018 -0.57 0.395 -0.0164 -0.49 -0.7433 -0.9971 3614787 ACon1_001310 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(=O)C)[C@@H]1CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B09 compound treatment 0.394 -0.018 -0.57 0.395 -0.0164 -0.49 -0.7433 -0.9971 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B10 compound treatment 0.393 -0.019 -0.6 0.394 -0.0174 -0.52 -0.7865 -0.9973 3554503 ACon1_001312 CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B11 compound treatment 0.421 0.00902 0.28 0.417 0.00561 0.17 0.318 0.9676 3614794 ACon1_001313 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B12 compound treatment 0.4 -0.012 -0.38 0.384 -0.0274 -0.81 -0.8404 -0.9391 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B13 mock treatment 0.386 -0.026 -0.82 0.386 -0.0254 -0.75 -1.1097 -0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B14 mock treatment 0.386 -0.026 -0.82 0.401 -0.0104 -0.31 -0.7954 -0.911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B15 compound treatment 0.393 -0.019 -0.6 0.391 -0.0204 -0.6 -0.8493 -1.0 3614799 ACon1_001315 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B16 compound treatment 0.397 -0.015 -0.47 0.399 -0.0124 -0.37 -0.5928 -0.9924 3614803 ACon1_001316 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](O)C32)[C@@H]61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B17 compound treatment 0.391 -0.021 -0.66 0.391 -0.0204 -0.6 -0.8938 -0.999 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B18 compound treatment 0.398 -0.014 -0.44 0.4 -0.0114 -0.34 -0.5496 -0.9915 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B19 compound treatment 0.403 -0.00898 -0.28 0.546 0.135 3.99 2.6207 0.6554 3614812 ACon1_001319 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(CCC6(CCC54C)C(=O)OC7OC(CO)C(O)C(O)C7O)C(=O)O)C2(C)CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B20 compound treatment 0.378 -0.034 -1.07 0.46 0.0486 1.44 0.2629 0.1466 3614813 ACon1_001320 CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)CC32)[C@H]16 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B21 compound treatment 0.398 -0.014 -0.44 0.471 0.0596 1.77 0.938 0.5153 3558920 ACon1_001321 Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@H]3[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]2OC(=O)c7cc(O)c(O)c(O)c7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B22 compound treatment 0.338 -0.074 -2.33 0.403 -0.00839 -0.25 -1.8208 -0.7782 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B23 compound treatment 0.414 0.00202 0.06 0.385 -0.0264 -0.78 -0.5081 -0.6477 3614819 ACon1_001323 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8OC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 B24 compound treatment 0.448 0.036 1.13 0.394 -0.0174 -0.52 0.4364 0.3507 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C01 compound treatment 0.476 0.064 2.01 0.497 0.0856 2.54 3.2171 0.9934 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C02 compound treatment 0.385 -0.027 -0.85 0.401 -0.0104 -0.31 -0.8177 -0.9059 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C03 compound treatment 0.419 0.00702 0.22 0.427 0.0156 0.46 0.483 0.9426 3559041 ACon1_001327 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C04 compound treatment 0.404 -0.00798 -0.25 0.41 -0.00139 -0.04 -0.2067 -0.8123 3559084 ACon1_001328 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c(C(=O)c3ccc(O)cc3)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C05 compound treatment 0.415 0.00302 0.09 0.414 0.00261 0.08 0.1217 0.9949 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C06 compound treatment 0.399 -0.013 -0.41 0.399 -0.0124 -0.37 -0.5483 -0.9986 3558716 ACon1_001330 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C07 compound treatment 0.44 0.028 0.88 0.441 0.0296 0.88 1.2433 1.0 3552084 ACon1_001331 C/C=C/C=C/C(=O)N1CC[C@]23[C@@H]1N4CC[C@]3([C@H]5Nc6ccccc62)c7c(cccc7[C@@H]4C8OC8(C)C)N5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C08 compound treatment 0.527 0.115 3.62 0.512 0.101 2.98 4.6653 0.9954 3559229 ACon1_001332 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C09 compound treatment 0.417 0.00502 0.16 0.417 0.00561 0.17 0.229 0.9997 3559102 ACon1_001333 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C3(C)C)O[C@@H]([C@H]2O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C10 compound treatment 0.436 0.024 0.76 0.424 0.0126 0.37 0.7982 0.9474 3559180 ACon1_001334 C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=CC7=C8CC(C)(C)CC[C@]8(CO)CC[C@]76C)[C@]4(C)CO)O[C@@H]3CO)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C11 mock treatment 0.401 -0.011 -0.35 0.402 -0.00939 -0.28 -0.441 -0.9943 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C12 mock treatment 0.405 -0.00698 -0.22 0.404 -0.00739 -0.22 -0.3101 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C13 compound treatment 0.39 -0.022 -0.69 0.394 -0.0174 -0.52 -0.8532 -0.9895 3558601 ACon1_001335 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C14 compound treatment 0.407 -0.00498 -0.16 0.397 -0.0144 -0.43 -0.4123 -0.9076 3557383 ACon1_001336 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](OC(=O)/C(=C/C)/CO)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C15 mock treatment 0.408 -0.00398 -0.13 0.408 -0.00339 -0.1 -0.1596 -0.994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C16 mock treatment 0.41 -0.00198 -0.06 0.412 6.09E-4 0.02 -0.0314 -0.4827 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C17 compound treatment 0.417 0.00502 0.16 0.427 0.0156 0.46 0.4386 0.8975 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C18 compound treatment 0.414 0.00202 0.06 0.409 -0.00239 -0.07 -0.0053 -0.0555 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C19 compound treatment 0.408 -0.00398 -0.13 0.42 0.00861 0.26 0.0918 0.323 3614831 ACon1_001339 C[C@H]1O[C@@H](OC/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C20 compound treatment 0.415 0.00302 0.09 0.414 0.00261 0.08 0.1217 0.9949 3559183 ACon1_001340 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C21 compound treatment 0.486 0.074 2.33 0.439 0.0276 0.82 2.2241 0.9016 3558289 ACon1_001341 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%101CCC(C)CO%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C22 compound treatment 0.455 0.043 1.35 0.398 -0.0134 -0.4 0.6758 0.4795 3559203 ACon1_001342 C[C@H]1[C@@H]2CC[C@]3(C)O[C@]4(C)C(O)[C@@H]5[C@H]6[C@H](C(=C7[C@@H]6C[C@@](C)(O)C[C@H]8[C@H](C)C(=O)O[C@@H]87)C)C4(C53)[C@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C23 compound treatment 0.426 0.014 0.44 0.41 -0.00139 -0.04 0.2825 0.6382 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 C24 compound treatment 0.439 0.027 0.85 0.458 0.0466 1.38 1.5773 0.9728 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D01 compound treatment 0.418 0.00602 0.19 0.427 0.0156 0.46 0.4608 0.9221 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D02 compound treatment 0.44 0.028 0.88 0.463 0.0516 1.53 1.7043 0.9657 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D03 compound treatment 0.402 -0.00998 -0.31 0.402 -0.00939 -0.28 -0.4188 -0.9982 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D04 compound treatment 0.406 -0.00598 -0.19 0.405 -0.00639 -0.19 -0.267 -1.0 3614837 ACon1_001348 C[C@H]1C2[C@H](CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]8OC(=O)C)[C@]5(C)C4CC[C@]23C)O[C@]91OCC(=C)[C@H](OC%10OC(C)C(O)C(O)C%10O)[C@@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D05 compound treatment 0.406 -0.00598 -0.19 0.403 -0.00839 -0.25 -0.3089 -0.9906 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D06 compound treatment 0.408 -0.00398 -0.13 0.399 -0.0124 -0.37 -0.3482 -0.8976 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D07 compound treatment 0.433 0.021 0.66 0.424 0.0126 0.37 0.7315 0.9636 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D08 compound treatment 0.41 -0.00198 -0.06 0.405 -0.00639 -0.19 -0.178 -0.8929 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D09 compound treatment 0.419 0.00702 0.22 0.408 -0.00339 -0.1 0.0849 0.3504 3614849 ACon1_001353 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D10 compound treatment 0.409 -0.00298 -0.09 0.415 0.00361 0.11 0.0093 0.0652 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D11 mock treatment 0.406 -0.00598 -0.19 0.394 -0.0174 -0.52 -0.4974 -0.9067 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D12 mock treatment 0.406 -0.00598 -0.19 0.405 -0.00639 -0.19 -0.267 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D13 compound treatment 0.367 -0.045 -1.41 0.377 -0.0344 -1.02 -1.7208 -0.9871 3614858 ACon1_001355 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C2C(C(C2c3ccc(O)c(O)c3)c4ccc(O)c(O)c4)C(=O)OC(Cc5ccc(O)c(O)c5)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D14 compound treatment 0.415 0.00302 0.09 0.401 -0.0104 -0.31 -0.1507 -0.4677 3614860 ACon1_001356 OC/C=C\1/CN2CC[C@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]4N(C(=O)CC5O)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D15 mock treatment 0.399 -0.013 -0.41 0.397 -0.0144 -0.43 -0.5902 -0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D16 mock treatment 0.411 -9.84E-4 -0.03 0.409 -0.00239 -0.07 -0.072 -0.9311 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D17 compound treatment 0.394 -0.018 -0.57 0.393 -0.0184 -0.54 -0.7852 -0.9998 3614863 ACon1_001357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D18 compound treatment 0.415 0.00302 0.09 0.423 0.0116 0.34 0.3103 0.8696 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D19 compound treatment 0.43 0.018 0.57 0.408 -0.00339 -0.1 0.3295 0.5728 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D20 compound treatment 0.413 0.00102 0.03 0.415 0.00361 0.11 0.0982 0.8799 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D21 compound treatment 0.403 -0.00898 -0.28 0.408 -0.00339 -0.1 -0.2708 -0.9032 3614874 ACon1_001361 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D22 compound treatment 0.408 -0.00398 -0.13 0.411 -3.91E-4 -0.01 -0.0968 -0.7692 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D23 compound treatment 0.349 -0.063 -1.98 0.358 -0.0534 -1.58 -2.5191 -0.9938 3614881 ACon1_001363 CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)O[C@@H]1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 D24 compound treatment 0.443 0.031 0.98 0.431 0.0196 0.58 1.1005 0.9694 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E01 mock treatment 0.432 0.02 0.63 0.424 0.0126 0.37 0.7092 0.969 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E02 mock treatment 0.413 0.00102 0.03 0.41 -0.00139 -0.04 -0.0066 -0.1258 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E03 compound treatment 0.458 0.046 1.45 0.446 0.0346 1.03 1.7483 0.9858 3559005 ACon1_001365 CC1OC(O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(C=O)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](OC%11OC(CO)C(O)C(O)C%11O)[C@H]2O)C(O)C(O)C1OC%12OCC(O)C(O)C%12O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E04 compound treatment 0.422 0.01 0.31 0.423 0.0116 0.34 0.4659 0.999 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E05 compound treatment 0.442 0.03 0.94 0.431 0.0196 0.58 1.0782 0.9729 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E06 compound treatment 0.409 -0.00298 -0.09 0.421 0.00961 0.28 0.135 0.4503 3559119 ACon1_001368 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E07 compound treatment 0.4 -0.012 -0.38 0.402 -0.00939 -0.28 -0.4632 -0.9889 3558966 ACon1_001369 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E08 compound treatment 0.442 0.03 0.94 0.443 0.0316 0.94 1.3297 1.0 3559152 ACon1_001370 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E09 mock treatment 0.413 0.00102 0.03 0.412 6.09E-4 0.02 0.0353 0.9636 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E10 mock treatment 0.403 -0.00898 -0.28 0.405 -0.00639 -0.19 -0.3337 -0.9811 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E11 compound treatment 0.412 1.56E-5 0.0 0.407 -0.00439 -0.13 -0.0916 -0.7044 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E12 compound treatment 0.415 0.00302 0.09 0.419 0.00761 0.23 0.2265 0.9259 3558916 ACon1_001372 CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E13 compound treatment 0.437 0.025 0.79 0.436 0.0246 0.73 1.0718 0.9993 3555404 ACon1_001373 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5c[nH]cn5)/C(=O)N[C@]143)C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E14 compound treatment 0.496 0.084 2.64 0.474 0.0626 1.86 3.1798 0.985 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E15 compound treatment 0.418 0.00602 0.19 0.417 0.00561 0.17 0.2513 0.9979 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E16 compound treatment 0.443 0.031 0.98 0.445 0.0336 1.0 1.3938 0.9999 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E17 mock treatment 0.402 -0.00998 -0.31 0.405 -0.00639 -0.19 -0.3559 -0.9707 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E18 mock treatment 0.409 -0.00298 -0.09 0.405 -0.00639 -0.19 -0.2003 -0.9475 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E19 compound treatment 0.397 -0.015 -0.47 0.4 -0.0114 -0.34 -0.5718 -0.9866 1001646 ACon1_001377 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E20 compound treatment 0.43 0.018 0.57 0.437 0.0256 0.76 0.9371 0.9896 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E21 compound treatment 0.413 0.00102 0.03 0.388 -0.0234 -0.69 -0.4675 -0.6738 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E22 compound treatment 0.387 -0.025 -0.79 0.381 -0.0304 -0.9 -1.1923 -0.9977 3558597 ACon1_001380 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E23 compound treatment 0.415 0.00302 0.09 0.406 -0.00539 -0.16 -0.0459 -0.2471 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 E24 compound treatment 0.428 0.016 0.5 0.41 -0.00139 -0.04 0.327 0.6471 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F01 mock treatment 0.423 0.011 0.35 0.431 0.0196 0.58 0.6558 0.9694 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F02 mock treatment 0.417 0.00502 0.16 0.426 0.0146 0.43 0.4176 0.9064 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F03 compound treatment 0.418 0.00602 0.19 0.421 0.00961 0.28 0.3351 0.9803 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F04 compound treatment 0.364 -0.048 -1.51 0.377 -0.0344 -1.02 -1.7875 -0.9817 3614899 ACon1_001384 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F05 compound treatment 0.445 0.033 1.04 0.447 0.0356 1.06 1.4802 1.0 3614903 ACon1_001385 C/C=C(\C)/C(=O)OC1C(OC(=O)\C=C(\C)/CC(=O)O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CCC43C)C2CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F06 compound treatment 0.408 -0.00398 -0.13 0.408 -0.00339 -0.1 -0.1596 -0.994 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F07 compound treatment 0.416 0.00402 0.13 0.415 0.00361 0.11 0.1649 0.9966 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F08 compound treatment 0.42 0.00802 0.25 0.414 0.00261 0.08 0.2329 0.8834 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F09 mock treatment 0.401 -0.011 -0.35 0.403 -0.00839 -0.25 -0.42 -0.987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F10 mock treatment 0.413 0.00102 0.03 0.408 -0.00339 -0.1 -0.0485 -0.4597 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F11 compound treatment 0.408 -0.00398 -0.13 0.414 0.00261 0.08 -0.0339 -0.2304 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F12 compound treatment 0.429 0.017 0.54 0.421 0.00961 0.28 0.5797 0.9564 3614916 ACon1_001390 COC(=O)C[C@H]1/C(=C/C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F13 compound treatment 0.423 0.011 0.35 0.41 -0.00139 -0.04 0.2158 0.6186 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F14 compound treatment 0.405 -0.00698 -0.22 0.411 -3.91E-4 -0.01 -0.1635 -0.7433 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F15 compound treatment 0.402 -0.00998 -0.31 0.412 6.09E-4 0.02 -0.2092 -0.6653 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F16 compound treatment 0.421 0.00902 0.28 0.428 0.0166 0.49 0.5485 0.9657 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F17 mock treatment 0.404 -0.00798 -0.25 0.409 -0.00239 -0.07 -0.2276 -0.8726 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F18 mock treatment 0.407 -0.00498 -0.16 0.415 0.00361 0.11 -0.0352 -0.1855 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F19 compound treatment 0.432 0.02 0.63 0.431 0.0196 0.58 0.8559 0.9992 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F20 compound treatment 0.379 -0.033 -1.04 0.386 -0.0254 -0.75 -1.2654 -0.9876 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F21 compound treatment 0.441 0.029 0.91 0.424 0.0126 0.37 0.9093 0.9223 3614932 ACon1_001397 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C[C@@H]4C(=CC[C@H]5[C@]6(C)C[C@@H](O)[C@H]([C@@](C)(OC(=O)C)C(=O)/C=C/C(C)(C)O)[C@@]6(C)CC(=O)[C@]54C)C(C)(C)C3=O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F22 compound treatment 0.417 0.00502 0.16 0.403 -0.00839 -0.25 -0.0643 -0.2184 3614935 ACon1_001398 CCN1C[C@]2(COC)CC[C@H](O)[C@]3(C4C[C@H]5[C@@H](OC(=O)C)C4[C@@](C[C@@H]5OC)(OC(=O)C)C6[C@H](OC)C32)[C@@H]61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F23 compound treatment 0.458 0.046 1.45 0.442 0.0306 0.91 1.6645 0.9747 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 F24 compound treatment 0.456 0.044 1.38 0.436 0.0246 0.73 1.4943 0.9552 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G01 compound treatment 0.395 -0.017 -0.53 0.413 0.00161 0.05 -0.3439 -0.6414 3554156 ACon1_001401 CCC(C)C1NC(=O)C(CCC(=O)O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(OC(=O)C(CCC(=O)O)N(C)C(=O)C(NC(=O)C4CCCCN4C1=O)C(C)C)C(C)CC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G02 compound treatment 0.412 1.56E-5 0.0 0.419 0.00761 0.23 0.1598 0.7086 3558958 ACon1_001402 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G03 mock treatment 0.4 -0.012 -0.38 0.413 0.00161 0.05 -0.2327 -0.6127 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G04 mock treatment 0.401 -0.011 -0.35 0.395 -0.0164 -0.49 -0.5877 -0.986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G05 compound treatment 0.398 -0.014 -0.44 0.405 -0.00639 -0.19 -0.4448 -0.9291 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G06 compound treatment 0.401 -0.011 -0.35 0.409 -0.00239 -0.07 -0.2943 -0.8348 3559121 ACon1_001404 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G07 compound treatment 0.413 0.00102 0.03 0.419 0.00761 0.23 0.182 0.7993 3559035 ACon1_001405 OC[C@@]12O[C@H]2[C@@H](O)[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G08 compound treatment 0.427 0.015 0.47 0.432 0.0206 0.61 0.7657 0.9919 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G09 compound treatment 0.527 0.115 3.62 0.433 0.0216 0.64 3.01 0.8196 3559155 ACon1_001407 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@@]31O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G10 compound treatment 0.442 0.03 0.94 0.447 0.0356 1.06 1.4135 0.9985 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G11 compound treatment 0.415 0.00302 0.09 0.428 0.0166 0.49 0.4151 0.8281 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G12 compound treatment 0.4 -0.012 -0.38 0.402 -0.00939 -0.28 -0.4632 -0.9889 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G13 compound treatment 0.416 0.00402 0.13 0.42 0.00861 0.26 0.2697 0.9474 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G14 compound treatment 0.413 0.00102 0.03 0.408 -0.00339 -0.1 -0.0485 -0.4597 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G15 compound treatment 0.431 0.019 0.6 0.42 0.00861 0.26 0.6032 0.9279 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G16 compound treatment 0.44 0.028 0.88 0.421 0.00961 0.28 0.8242 0.8903 3558027 ACon1_001414 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G17 compound treatment 0.413 0.00102 0.03 0.418 0.00661 0.2 0.1611 0.8117 3553505 ACon1_001415 CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G18 compound treatment 0.504 0.092 2.89 0.444 0.0326 0.97 2.7291 0.8947 3557922 ACon1_001416 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G19 mock treatment 0.402 -0.00998 -0.31 0.407 -0.00439 -0.13 -0.314 -0.9239 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G20 mock treatment 0.39 -0.022 -0.69 0.391 -0.0204 -0.6 -0.916 -0.9977 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G21 compound treatment 0.401 -0.011 -0.35 0.398 -0.0134 -0.4 -0.5248 -0.9976 3552815 ACon1_001417 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2[C@@]34COC(=O)c5ccccc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G22 compound treatment 0.422 0.01 0.31 0.563 0.152 4.49 3.3993 0.7548 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G23 compound treatment 0.524 0.112 3.52 0.475 0.0636 1.88 3.8233 0.9571 3557629 ACon1_001419 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(O)C(O)C4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 G24 compound treatment 0.437 0.025 0.79 0.411 -3.91E-4 -0.01 0.548 0.6966 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H01 compound treatment 0.432 0.02 0.63 0.442 0.0306 0.91 1.0864 0.9841 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H02 compound treatment 0.455 0.043 1.35 0.454 0.0426 1.26 1.8492 0.9994 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H03 mock treatment 0.399 -0.013 -0.41 0.404 -0.00739 -0.22 -0.4435 -0.9574 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H04 mock treatment 0.411 -9.84E-4 -0.03 0.404 -0.00739 -0.22 -0.1767 -0.7991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H05 compound treatment 0.464 0.052 1.64 0.477 0.0656 1.94 2.5312 0.9963 1074963 ACon1_001423 Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)cc8C(=O)C647)O)C53C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H06 compound treatment 0.414 0.00202 0.06 0.414 0.00261 0.08 0.0995 0.9951 3614955 ACon1_001424 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC3OC(CO)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H07 compound treatment 0.384 -0.028 -0.88 0.369 -0.0424 -1.26 -1.5104 -0.9848 3614956 ACon1_001425 C[C@H]1OC(=O)[C@@]2(C(=C)[C@]3(C)C[C@@H]4C(=C)[C@]5(CC[C@]42C)C=CC(=O)OC5(C)C)[C@@]1(O)C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H08 compound treatment 0.435 0.023 0.72 0.432 0.0206 0.61 0.9435 0.9964 3614960 ACon1_001426 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H09 compound treatment 0.458 0.046 1.45 0.468 0.0566 1.68 2.2092 0.9973 3614965 ACon1_001427 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O[C@@H]%11OC[C@H](O)[C@H](O)[C@H]%11O)[C@H]%10O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H10 compound treatment 0.408 -0.00398 -0.13 0.412 6.09E-4 0.02 -0.0758 -0.599 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H11 compound treatment 0.442 0.03 0.94 0.445 0.0336 1.0 1.3716 0.9996 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H12 compound treatment 0.412 1.56E-5 0.0 0.413 0.00161 0.05 0.0341 0.7144 3614974 ACon1_001430 C[C@@H]1CCC2C(C)(C)[C@H](OC(=O)C)[C@@H](O)C[C@]2(C)C31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H13 compound treatment 0.475 0.063 1.98 0.474 0.0626 1.86 2.7129 0.9995 3559258 ACon1_001431 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1OC%11OCC(O)(CO)C%11O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H14 compound treatment 0.424 0.012 0.38 0.411 -3.91E-4 -0.01 0.259 0.6851 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H15 compound treatment 0.414 0.00202 0.06 0.407 -0.00439 -0.13 -0.0472 -0.326 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H16 compound treatment 0.412 1.56E-5 0.0 0.411 -3.91E-4 -0.01 -0.0078 -0.6765 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H17 compound treatment 0.421 0.00902 0.28 0.407 -0.00439 -0.13 0.1085 0.3477 3614982 ACon1_001435 CC1OC(OC2C(O)C(OC3OC(C)C(OC(=O)C)C(O)C3O)C(CO)OC2OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](OC9OC(CO)C(OC%10OC(CO)C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(O)C9O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H18 compound treatment 0.409 -0.00298 -0.09 0.403 -0.00839 -0.25 -0.2422 -0.9112 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H19 mock treatment 0.407 -0.00498 -0.16 0.39 -0.0214 -0.63 -0.559 -0.8562 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H20 mock treatment 0.407 -0.00498 -0.16 0.401 -0.0104 -0.31 -0.3285 -0.9509 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H21 compound treatment 0.424 0.012 0.38 0.42 0.00861 0.26 0.4475 0.9817 3614988 ACon1_001437 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C3=O)c5ccc(O)c(O)c45)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H22 compound treatment 0.564 0.152 4.78 0.454 0.0426 1.26 4.2727 0.8642 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H23 compound treatment 0.462 0.05 1.57 0.445 0.0336 1.0 1.8162 0.9757 3614994 ACon1_001439 CC1OC(O[C@H]2[C@@H](O)C[C@]3(C)C4CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]5(C)[C@]4(C)C[C@@H](O)C3[C@]2(C)CO)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 H24 compound treatment 0.464 0.052 1.64 0.428 0.0166 0.49 1.5045 0.8809 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I01 compound treatment 0.431 0.019 0.6 0.425 0.0136 0.4 0.7079 0.9816 3552717 ACon1_001441 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I02 compound treatment 0.41 -0.00198 -0.06 0.405 -0.00639 -0.19 -0.178 -0.8929 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I03 compound treatment 0.511 0.099 3.11 0.537 0.126 3.72 4.8334 0.9961 3559083 ACon1_001443 OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I04 compound treatment 0.408 -0.00398 -0.13 0.431 0.0196 0.58 0.3223 0.5422 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I05 mock treatment 0.402 -0.00998 -0.31 0.402 -0.00939 -0.28 -0.4188 -0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I06 mock treatment 0.4 -0.012 -0.38 0.408 -0.00339 -0.1 -0.3375 -0.8654 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I07 compound treatment 0.447 0.035 1.1 0.449 0.0376 1.11 1.5666 1.0 3558957 ACon1_001445 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I08 compound treatment 0.378 -0.034 -1.07 0.4 -0.0114 -0.34 -0.9943 -0.8872 3557372 ACon1_001446 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@]54OO[C@@]23C=C5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I09 compound treatment 0.46 0.048 1.51 0.455 0.0436 1.29 1.9813 0.997 3615002 ACon1_001447 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)O[C@@]%101CC[C@@](C)(CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)O%10 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I10 compound treatment 0.447 0.035 1.1 0.434 0.0226 0.67 1.2523 0.9716 3558208 ACon1_001448 COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3C4O[C@]4(CO)C5C3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H]2OC(=O)C)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I11 compound treatment 0.41 -0.00198 -0.06 0.42 0.00861 0.26 0.1363 0.5189 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I12 compound treatment 0.434 0.022 0.69 0.447 0.0356 1.06 1.2356 0.9791 3557701 ACon1_001450 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I13 compound treatment 0.422 0.01 0.31 0.434 0.0226 0.67 0.6964 0.9407 3552066 ACon1_001451 C/C=C/C=C/C(=C/1\[C@@H]2[C@@H]([C@@H](C(=O)\C=C\C=C\C)[C@](C)(C1=O)C(=O)C2(C)O)[C@]3(C)OC(=O)C(=C3O)C)/O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I14 compound treatment 0.415 0.00302 0.09 0.413 0.00161 0.05 0.1008 0.9494 3558037 ACon1_001452 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c3c(O)cccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I15 compound treatment 0.402 -0.00998 -0.31 0.411 -3.91E-4 -0.01 -0.2302 -0.7327 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I16 compound treatment 0.466 0.054 1.7 0.469 0.0576 1.71 2.408 1.0 3557495 ACon1_001454 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I17 compound treatment 0.371 -0.041 -1.29 0.426 0.0146 0.43 -0.6051 -0.4451 3555348 ACon1_001455 COc1nc(C/C=C(\C)/C\C=C\C(=C\[C@@H](C)[C@@H](O)\C(=C\C)\C)\C)c(C)c(O)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I18 compound treatment 0.404 -0.00798 -0.25 0.402 -0.00939 -0.28 -0.3743 -0.9987 3559191 ACon1_001456 CC(C)C[C@@](O)([C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I19 compound treatment 0.403 -0.00898 -0.28 0.394 -0.0174 -0.52 -0.5641 -0.96 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I20 compound treatment 0.412 1.56E-5 0.0 0.408 -0.00339 -0.1 -0.0707 -0.7036 3559208 ACon1_001458 COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)O)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I21 mock treatment 0.403 -0.00898 -0.28 0.399 -0.0124 -0.37 -0.4594 -0.9916 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I22 mock treatment 0.405 -0.00698 -0.22 0.392 -0.0194 -0.57 -0.5616 -0.913 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I23 compound treatment 0.447 0.035 1.1 0.425 0.0136 0.4 1.0637 0.9072 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 I24 compound treatment 0.438 0.026 0.82 0.426 0.0146 0.43 0.8845 0.9557 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J01 compound treatment 0.441 0.029 0.91 0.439 0.0276 0.82 1.2236 0.9985 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J02 compound treatment 0.412 1.56E-5 0.0 0.419 0.00761 0.23 0.1598 0.7086 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J03 compound treatment 0.41 -0.00198 -0.06 0.405 -0.00639 -0.19 -0.178 -0.8929 3559779 ACon1_001463 C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J04 compound treatment 0.403 -0.00898 -0.28 0.403 -0.00839 -0.25 -0.3756 -0.998 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J05 mock treatment 0.415 0.00302 0.09 0.41 -0.00139 -0.04 0.0379 0.3667 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J06 mock treatment 0.41 -0.00198 -0.06 0.402 -0.00939 -0.28 -0.2409 -0.8447 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J07 compound treatment 0.413 0.00102 0.03 0.406 -0.00539 -0.16 -0.0904 -0.5548 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J08 compound treatment 0.579 0.167 5.25 0.585 0.174 5.14 7.351 0.9999 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J09 compound treatment 0.435 0.023 0.72 0.437 0.0256 0.76 1.0483 0.9997 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J10 compound treatment 0.382 -0.03 -0.94 0.382 -0.0294 -0.87 -1.2825 -0.9992 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J11 compound treatment 0.423 0.011 0.35 0.417 0.00561 0.17 0.3625 0.9434 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J12 compound treatment 0.413 0.00102 0.03 0.424 0.0126 0.37 0.2868 0.7648 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J13 compound treatment 0.399 -0.013 -0.41 0.401 -0.0104 -0.31 -0.5064 -0.9903 3615027 ACon1_001471 C[C@H]1[C@H]2OC3=C(C(=O)OC3(C)O)C(=O)[C@]1(C)[C@H]4CCCC[C@]4(O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J14 compound treatment 0.434 0.022 0.69 0.437 0.0256 0.76 1.0261 0.9989 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J15 compound treatment 0.427 0.015 0.47 0.416 0.00461 0.14 0.4304 0.8758 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J16 compound treatment 0.407 -0.00498 -0.16 0.408 -0.00339 -0.1 -0.1819 -0.9769 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J17 compound treatment 0.43 0.018 0.57 0.439 0.0276 0.82 0.979 0.9839 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J18 compound treatment 0.433 0.021 0.66 0.432 0.0206 0.61 0.8991 0.9992 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J19 compound treatment 0.447 0.035 1.1 0.449 0.0376 1.11 1.5666 1.0 3615039 ACon1_001477 COC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J20 compound treatment 0.433 0.021 0.66 0.422 0.0106 0.31 0.6896 0.9423 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J21 mock treatment 0.412 1.56E-5 0.0 0.438 0.0266 0.79 0.5579 0.7075 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J22 mock treatment 0.409 -0.00298 -0.09 0.414 0.00261 0.08 -0.0117 -0.0961 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J23 compound treatment 0.472 0.06 1.89 0.452 0.0406 1.2 2.1853 0.9764 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 J24 compound treatment 0.46 0.048 1.51 0.46 0.0486 1.44 2.0861 0.9997 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K01 compound treatment 0.445 0.033 1.04 0.445 0.0336 1.0 1.4383 0.9998 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K02 compound treatment 0.405 -0.00698 -0.22 0.412 6.09E-4 0.02 -0.1425 -0.6468 3559087 ACon1_001482 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K03 compound treatment 0.417 0.00502 0.16 0.419 0.00761 0.23 0.271 0.9847 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K04 compound treatment 0.411 -9.84E-4 -0.03 0.407 -0.00439 -0.13 -0.1139 -0.8516 3558370 ACon1_001484 CC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K05 compound treatment 0.408 -0.00398 -0.13 0.411 -3.91E-4 -0.01 -0.0968 -0.7692 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K06 compound treatment 0.473 0.061 1.92 0.471 0.0596 1.77 2.6056 0.9991 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K07 mock treatment 0.4 -0.012 -0.38 0.401 -0.0104 -0.31 -0.4842 -0.995 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K08 mock treatment 0.402 -0.00998 -0.31 0.41 -0.00139 -0.04 -0.2511 -0.7931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K09 compound treatment 0.461 0.049 1.54 0.465 0.0536 1.59 2.2131 0.9999 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K10 compound treatment 0.439 0.027 0.85 0.427 0.0156 0.46 0.9277 0.9592 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K11 compound treatment 0.421 0.00902 0.28 0.421 0.00961 0.28 0.4018 1.0 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K12 compound treatment 0.43 0.018 0.57 0.439 0.0276 0.82 0.979 0.9839 3557313 ACon1_001490 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(c[nH]c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K13 compound treatment 0.438 0.026 0.82 0.421 0.00961 0.28 0.7798 0.9003 3555009 ACon1_001491 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(c4c5[C@H](O)[C@H](C)OCc5c(O)c6c(OC)cc(OC)cc46)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K14 compound treatment 0.414 0.00202 0.06 0.412 6.09E-4 0.02 0.0576 0.8738 3559158 ACon1_001492 Cc1ccc2C(=O)c3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3C(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K15 mock treatment 0.42 0.00802 0.25 0.423 0.0116 0.34 0.4215 0.9883 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K16 mock treatment 0.42 0.00802 0.25 0.411 -3.91E-4 -0.01 0.17 0.6739 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K17 compound treatment 0.424 0.012 0.38 0.422 0.0106 0.31 0.4894 0.9958 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K18 compound treatment 0.445 0.033 1.04 0.448 0.0366 1.08 1.5011 0.9998 3559193 ACon1_001494 CC(C)C[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K19 compound treatment 0.381 -0.031 -0.97 0.375 -0.0364 -1.08 -1.4514 -0.9987 3557988 ACon1_001495 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K20 compound treatment 0.447 0.035 1.1 0.446 0.0346 1.03 1.5037 0.9994 3557832 ACon1_001496 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K21 compound treatment 0.414 0.00202 0.06 0.409 -0.00239 -0.07 -0.0053 -0.0555 3557515 ACon1_001497 OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K22 compound treatment 0.449 0.037 1.16 0.452 0.0406 1.2 1.6739 0.9999 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K23 mock treatment 0.405 -0.00698 -0.22 0.414 0.00261 0.08 -0.1006 -0.4322 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 K24 mock treatment 0.429 0.017 0.54 0.424 0.0126 0.37 0.6425 0.9846 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L01 compound treatment 0.436 0.024 0.76 0.433 0.0216 0.64 0.9867 0.9966 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L02 compound treatment 0.417 0.00502 0.16 0.417 0.00561 0.17 0.229 0.9997 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L03 compound treatment 0.393 -0.019 -0.6 0.389 -0.0224 -0.66 -0.8912 -0.9986 3559801 ACon1_001501 C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L04 compound treatment 0.425 0.013 0.41 0.424 0.0126 0.37 0.5536 0.999 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L05 compound treatment 0.441 0.029 0.91 0.434 0.0226 0.67 1.1189 0.9885 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L06 compound treatment 0.429 0.017 0.54 0.408 -0.00339 -0.1 0.3073 0.5645 3615066 ACon1_001504 CCCC1=C(/C=C/C(=O)O)C(=O)C(O1)C(C)(C)C2OC(=C(/C=C/C(=O)O)C2=O)CCC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L07 mock treatment 0.414 0.00202 0.06 0.414 0.00261 0.08 0.0995 0.9951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L08 mock treatment 0.406 -0.00598 -0.19 0.41 -0.00139 -0.04 -0.1622 -0.842 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L09 compound treatment 0.481 0.069 2.17 0.478 0.0666 1.97 2.9301 0.9989 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L10 compound treatment 0.414 0.00202 0.06 0.409 -0.00239 -0.07 -0.0053 -0.0555 3615071 ACon1_001506 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@@H]3[C@H](C)[C@H](C[C@H]3C(CO)CO)OC(=O)CC4\C(=C\C)\C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L11 compound treatment 0.437 0.025 0.79 0.445 0.0336 1.0 1.2604 0.9932 3615072 ACon1_001507 CC1CC(=O)[C@]2(C)CC[C@]3(C)C(=C(O)C(O)C4[C@@]5(C)CC[C@H](O)C(C)(C5CC[C@]43C)C(=O)O)C2C1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L12 compound treatment 0.404 -0.00798 -0.25 0.412 6.09E-4 0.02 -0.1648 -0.6546 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L13 compound treatment 0.438 0.026 0.82 0.452 0.0406 1.2 1.4293 0.9823 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L14 compound treatment 0.433 0.021 0.66 0.431 0.0196 0.58 0.8781 0.9979 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L15 mock treatment 0.412 1.56E-5 0.0 0.407 -0.00439 -0.13 -0.0916 -0.7044 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L16 mock treatment 0.415 0.00302 0.09 0.41 -0.00139 -0.04 0.0379 0.3667 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L17 compound treatment 0.419 0.00702 0.22 0.422 0.0106 0.31 0.3783 0.985 3615082 ACon1_001511 C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]5(O[C@@]6(O)[C@H]7C[C@@H](O)[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@@]7(C)CC[C@@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L18 compound treatment 0.42 0.00802 0.25 0.431 0.0196 0.58 0.5891 0.9301 3615084 ACon1_001512 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](OC(=O)C)C32)[C@@H]61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L19 compound treatment 0.716 0.304 9.56 0.425 0.0136 0.4 7.0446 0.7363 3615086 ACon1_001513 CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)c4ccccc4)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L20 compound treatment 0.412 1.56E-5 0.0 0.406 -0.00539 -0.16 -0.1126 -0.7049 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L21 compound treatment 0.432 0.02 0.63 0.436 0.0246 0.73 0.9607 0.9973 3615088 ACon1_001515 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@](C)(CO)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O[C@@H]%11O[C@@H](CO)[C@H](O)[C@H]%11O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L22 compound treatment 0.424 0.012 0.38 0.41 -0.00139 -0.04 0.238 0.6263 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L23 mock treatment 0.401 -0.011 -0.35 0.405 -0.00639 -0.19 -0.3781 -0.96 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 L24 mock treatment 0.432 0.02 0.63 0.424 0.0126 0.37 0.7092 0.969 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M01 compound treatment 0.47 0.058 1.82 0.463 0.0516 1.53 2.3713 0.9962 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M02 compound treatment 0.42 0.00802 0.25 0.418 0.00661 0.2 0.3167 0.9922 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M03 compound treatment 0.428 0.016 0.5 0.416 0.00461 0.14 0.4527 0.8675 3559053 ACon1_001519 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M04 compound treatment 0.424 0.012 0.38 0.42 0.00861 0.26 0.4475 0.9817 3559037 ACon1_001520 COc1cc(ccc1O)C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M05 compound treatment 0.532 0.12 3.77 0.513 0.102 3.01 4.7974 0.9937 3554112 ACon1_001521 CCC(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C3C2=CO1)C(=O)C(C)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M06 compound treatment 0.404 -0.00798 -0.25 0.396 -0.0154 -0.46 -0.5 -0.9605 3559185 ACon1_001522 C[C@]12C[C@H](OC(=O)C2CC[C@]3(C)[C@H]1[C@@H]4OC(=O)[C@@]3(O)C=C4)c5ccoc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M07 compound treatment 0.423 0.011 0.35 0.42 0.00861 0.26 0.4253 0.9887 3559057 ACon1_001523 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M08 compound treatment 0.423 0.011 0.35 0.438 0.0266 0.79 0.8025 0.9318 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M09 mock treatment 0.42 0.00802 0.25 0.421 0.00961 0.28 0.3796 0.9981 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M10 mock treatment 0.428 0.016 0.5 0.417 0.00561 0.17 0.4736 0.8931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M11 compound treatment 0.454 0.042 1.32 0.459 0.0476 1.41 1.9317 0.9995 3553353 ACon1_001525 CC(=O)OC/1C\C=C(/C)\CC(OC(=O)/C(=C\CO)/C)C2C(OC(=O)C2=C)\C=C1/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M12 compound treatment 0.39 -0.022 -0.69 0.386 -0.0254 -0.75 -1.0208 -0.9991 3558922 ACon1_001526 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M13 mock treatment 0.415 0.00302 0.09 0.413 0.00161 0.05 0.1008 0.9494 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M14 mock treatment 0.427 0.015 0.47 0.412 6.09E-4 0.02 0.3466 0.7336 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M15 compound treatment 0.448 0.036 1.13 0.462 0.0506 1.5 1.8612 0.9904 3554846 ACon1_001527 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M16 compound treatment 0.462 0.05 1.57 0.485 0.0736 2.18 2.6544 0.9871 3558380 ACon1_001528 COc1cc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC4OC(C)C(O)C(O)C4O)C2O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M17 compound treatment 0.42 0.00802 0.25 0.419 0.00761 0.23 0.3377 0.9985 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M18 compound treatment 0.518 0.106 3.33 0.516 0.105 3.1 4.549 0.9993 3557627 ACon1_001530 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M19 compound treatment 0.47 0.058 1.82 0.473 0.0616 1.83 2.5808 1.0 3552018 ACon1_001531 C/C=C(/C)\C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)C3[C@@](O)(CC[C@@]31C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M20 compound treatment 0.47 0.058 1.82 0.47 0.0586 1.74 2.5179 0.9997 3558024 ACon1_001532 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M21 compound treatment 0.411 -9.84E-4 -0.03 0.415 0.00361 0.11 0.0537 0.4827 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M22 compound treatment 0.414 0.00202 0.06 0.418 0.00661 0.2 0.1833 0.8905 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M23 compound treatment 0.47 0.058 1.82 0.484 0.0726 2.15 2.8113 0.9966 3559039 ACon1_001535 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 M24 compound treatment 0.441 0.029 0.91 0.44 0.0286 0.85 1.2446 0.9993 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N01 compound treatment 0.437 0.025 0.79 0.442 0.0306 0.91 1.1975 0.9975 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N02 compound treatment 0.418 0.00602 0.19 0.421 0.00961 0.28 0.3351 0.9803 3615103 ACon1_001538 CC1CC(O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N03 compound treatment 0.427 0.015 0.47 0.419 0.00761 0.23 0.4933 0.9428 3559788 ACon1_001539 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](O)[C@@H]([C@H]21)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N04 compound treatment 0.417 0.00502 0.16 0.405 -0.00639 -0.19 -0.0224 -0.0908 3615108 ACon1_001540 CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N05 compound treatment 0.453 0.041 1.29 0.446 0.0346 1.03 1.6371 0.9936 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N06 compound treatment 0.418 0.00602 0.19 0.418 0.00661 0.2 0.2722 0.9998 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N07 compound treatment 0.422 0.01 0.31 0.425 0.0136 0.4 0.5078 0.9925 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N08 compound treatment 0.535 0.123 3.87 0.526 0.115 3.4 5.1365 0.9979 3559245 ACon1_001544 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N09 mock treatment 0.406 -0.00598 -0.19 0.411 -3.91E-4 -0.01 -0.1412 -0.7492 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N10 mock treatment 0.419 0.00702 0.22 0.415 0.00361 0.11 0.2316 0.9448 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N11 compound treatment 0.419 0.00702 0.22 0.422 0.0106 0.31 0.3783 0.985 3615116 ACon1_001545 COC(/C=C/CC\C=C\C(=O)O)C(O)C(C)C(O)/C(=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N12 compound treatment 0.414 0.00202 0.06 0.429 0.0176 0.52 0.4138 0.7872 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N13 mock treatment 0.417 0.00502 0.16 0.409 -0.00239 -0.07 0.0614 0.3553 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N14 mock treatment 0.43 0.018 0.57 0.414 0.00261 0.08 0.4552 0.7962 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N15 compound treatment 0.421 0.00902 0.28 0.421 0.00961 0.28 0.4018 1.0 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N16 compound treatment 0.429 0.017 0.54 0.43 0.0186 0.55 0.7682 0.9999 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N17 compound treatment 0.402 -0.00998 -0.31 0.407 -0.00439 -0.13 -0.314 -0.9239 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N18 compound treatment 0.428 0.016 0.5 0.43 0.0186 0.55 0.746 0.999 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N19 compound treatment 0.447 0.035 1.1 0.443 0.0316 0.94 1.4408 0.9968 3615132 ACon1_001551 COc1ccc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)/C(=C\C)/C)c4cc(OC)c(OC)cc4-c2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N20 compound treatment 0.516 0.104 3.27 0.509 0.0976 2.89 4.3579 0.9981 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N21 compound treatment 0.461 0.049 1.54 0.465 0.0536 1.59 2.2131 0.9999 3615138 ACon1_001553 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N22 compound treatment 0.416 0.00402 0.13 0.424 0.0126 0.37 0.3535 0.8963 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N23 compound treatment 0.464 0.052 1.64 0.475 0.0636 1.88 2.4893 0.9975 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 N24 compound treatment 0.47 0.058 1.82 0.463 0.0516 1.53 2.3713 0.9962 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O01 compound treatment 0.454 0.042 1.32 0.454 0.0426 1.26 1.827 0.9997 3559328 ACon1_001557 CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(=C(C)C)C[C@H]3[C@]2(C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O02 compound treatment 0.421 0.00902 0.28 0.424 0.0126 0.37 0.4647 0.9907 3559070 ACon1_001558 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@]5(C)[C@H](CCC=C5C)[C@@]1(C)CC[C@](C)(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O03 compound treatment 0.385 -0.027 -0.85 0.389 -0.0224 -0.66 -1.0691 -0.9926 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O04 compound treatment 0.446 0.034 1.07 0.446 0.0346 1.03 1.4815 0.9998 3559095 ACon1_001560 C/C=C(/C)\C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O05 compound treatment 0.428 0.016 0.5 0.437 0.0256 0.76 0.8927 0.9802 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O06 compound treatment 0.468 0.056 1.76 0.473 0.0616 1.83 2.5363 0.9998 3559222 ACon1_001562 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O07 compound treatment 0.456 0.044 1.38 0.469 0.0576 1.71 2.1857 0.9946 3557351 ACon1_001563 C[C@@H](OC(=O)C)[C@@H]1[C@]23O[C@@]3([C@H](O)c4c(O)c(ccc4C2=O)c5ccc6C(=O)[C@@]78O[C@@]8([C@H](O)c6c5O)C(=O)C[C@](C)(O)[C@@H]7[C@@H](C)OC(=O)C)C(=O)C[C@]1(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O08 compound treatment 0.454 0.042 1.32 0.443 0.0316 0.94 1.5965 0.9858 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O09 compound treatment 0.477 0.065 2.04 0.478 0.0666 1.97 2.8412 0.9998 3615151 ACon1_001565 C[C@@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)O[C@@]91CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O10 compound treatment 0.446 0.034 1.07 0.436 0.0246 0.73 1.2719 0.9826 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O11 mock treatment 0.437 0.025 0.79 0.435 0.0236 0.7 1.0509 0.9983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O12 mock treatment 0.435 0.023 0.72 0.432 0.0206 0.61 0.9435 0.9964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O13 compound treatment 0.463 0.051 1.6 0.461 0.0496 1.47 2.1737 0.999 3554512 ACon1_001567 CO[C@H]1/C=C/C=C(\C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(\C)/C=C(\OC)/C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\C=C\[C@H](C)[C@H](O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O14 compound treatment 0.436 0.024 0.76 0.444 0.0326 0.97 1.2172 0.9926 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O15 compound treatment 0.453 0.041 1.29 0.448 0.0366 1.08 1.679 0.9963 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O16 compound treatment 0.452 0.04 1.26 0.443 0.0316 0.94 1.552 0.9894 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O17 compound treatment 0.469 0.057 1.79 0.477 0.0656 1.94 2.6424 0.9992 3553815 ACon1_001571 CC[C@H]/1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O18 compound treatment 0.475 0.063 1.98 0.472 0.0606 1.8 2.671 0.9988 3558879 ACon1_001572 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]21)/CO)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O19 compound treatment 0.464 0.052 1.64 0.468 0.0566 1.68 2.3426 0.9999 3554106 ACon1_001573 CCC(C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]42[C@H]3[C@@]5(C)[C@H](O)C(=O)C=C(C)[C@@H]5C[C@H]4OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O20 compound treatment 0.422 0.01 0.31 0.424 0.0126 0.37 0.4869 0.9964 3559210 ACon1_001574 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O21 compound treatment 0.471 0.059 1.86 0.474 0.0626 1.86 2.624 1.0 3558433 ACon1_001575 CC1OC(OC2C(OC3OCC(O)C(O)C3O)C(OCCc4ccc(O)c(O)c4)OC(CO)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O22 compound treatment 0.475 0.063 1.98 0.473 0.0616 1.83 2.692 0.9992 3557365 ACon1_001576 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)[C@H](O)[C@@]42C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O23 compound treatment 0.441 0.029 0.91 0.44 0.0286 0.85 1.2446 0.9993 3558906 ACon1_001577 CCC(C)C(=O)OC/C=C(\C)/CC[C@H]1C(=C)C(O)CC2[C@@](C)(COC(=O)C)CC(O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 O24 compound treatment 0.458 0.046 1.45 0.446 0.0346 1.03 1.7483 0.9858 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P01 compound treatment 0.477 0.065 2.04 0.452 0.0406 1.2 2.2964 0.9681 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P02 compound treatment 0.447 0.035 1.1 0.438 0.0266 0.79 1.3361 0.9866 3615161 ACon1_001580 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P03 compound treatment 0.462 0.05 1.57 0.451 0.0396 1.17 1.942 0.9896 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P04 compound treatment 0.489 0.077 2.42 0.477 0.0656 1.94 3.0871 0.9941 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P05 compound treatment 0.446 0.034 1.07 0.459 0.0476 1.41 1.7538 0.9907 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P06 compound treatment 0.461 0.049 1.54 0.452 0.0406 1.2 1.9407 0.9925 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P07 compound treatment 0.447 0.035 1.1 0.46 0.0486 1.44 1.797 0.9912 3615172 ACon1_001585 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)O[C@H]5CC[C@]6(C)C7CC(OC(=O)c8ccccc8)[C@]9(C)[C@@](O)(CC[C@]9(O)[C@]7(O)CC=C6C5)C(=O)C)OC(C)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P08 compound treatment 0.462 0.05 1.57 0.473 0.0616 1.83 2.4029 0.9972 3615176 ACon1_001586 O[C@@H]1[C@@H](O)[C@H](Oc2c(O)c(c(O)cc2c3ccccc3)c4ccccc4)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P09 compound treatment 0.47 0.058 1.82 0.466 0.0546 1.62 2.4341 0.9982 3615180 ACon1_001587 Cc1cc2C(=O)c3ccccc3C(=O)c2cc1O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P10 compound treatment 0.464 0.052 1.64 0.462 0.0506 1.5 2.2169 0.9991 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P11 mock treatment 0.437 0.025 0.79 0.438 0.0266 0.79 1.1137 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P12 mock treatment 0.452 0.04 1.26 0.446 0.0346 1.03 1.6149 0.9948 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P13 compound treatment 0.456 0.044 1.38 0.466 0.0546 1.62 2.1229 0.997 3615185 ACon1_001589 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P14 compound treatment 0.555 0.143 4.5 0.531 0.12 3.54 5.6859 0.9931 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P15 compound treatment 0.456 0.044 1.38 0.459 0.0476 1.41 1.9762 1.0 3557312 ACon1_001591 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P16 compound treatment 0.463 0.051 1.6 0.464 0.0526 1.56 2.2366 0.9999 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P17 compound treatment 0.482 0.07 2.2 0.47 0.0586 1.74 2.7847 0.9931 3558732 ACon1_001593 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P18 compound treatment 0.448 0.036 1.13 0.446 0.0346 1.03 1.5259 0.9988 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P19 compound treatment 0.461 0.049 1.54 0.459 0.0476 1.41 2.0874 0.999 3615200 ACon1_001595 C/C(=C\CCC(C)(O)C=C)/C(=O)OC1C2OC2(C)C3C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)OC=CC13O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P20 compound treatment 0.453 0.041 1.29 0.45 0.0386 1.14 1.7209 0.9982 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P21 compound treatment 0.478 0.066 2.08 0.469 0.0576 1.71 2.6749 0.9953 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P22 compound treatment 0.453 0.041 1.29 0.446 0.0346 1.03 1.6371 0.9936 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P23 compound treatment 0.499 0.087 2.74 0.482 0.0706 2.09 3.4142 0.9912 3615206 ACon1_001599 CC1OC(O[C@H]2[C@@H](O)C[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)[C@]2(C)CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2294 P24 compound treatment 0.495 0.083 2.61 0.482 0.0706 2.09 3.3252 0.994 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A01 compound treatment 0.438 0.0283 0.89 0.499 0.0173 0.51 0.9929 0.9657 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A02 compound treatment 0.492 0.0823 2.59 0.582 0.1 2.97 3.9326 0.9976 3615213 ACon1_001602 CC1OC(Oc2cc(O)c(C3OC(C)C(O)C(O)C3O)c4oc(cc(=O)c24)c5ccc(O)cc5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A03 compound treatment 0.446 0.0363 1.14 0.525 0.0433 1.28 1.7156 0.9983 3484788 ACon1_001603 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A04 compound treatment 0.416 0.00633 0.2 0.481 -6.72E-4 -0.02 0.1266 0.6332 3615215 ACon1_001604 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(Oc4cc(OC)c(OC)c(OC)c4)OC3CO)[C@@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A05 compound treatment 0.417 0.00733 0.23 0.484 0.00233 0.07 0.2117 0.8802 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A06 compound treatment 0.413 0.00333 0.1 0.485 0.00333 0.1 0.1437 0.9996 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A07 compound treatment 0.457 0.0473 1.49 0.526 0.0443 1.31 1.9811 0.9981 3553900 ACon1_001607 CC1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](O)[C@@H]3[C@@H]2OC(=O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A08 compound treatment 0.459 0.0493 1.55 0.517 0.0353 1.05 1.837 0.9817 3615221 ACon1_001608 CC1(CCCC2(C)C1C(O)CC3(CC4(O)CC=C32)C(=O)C4=C)C(=O)OC5OC(CO)C(O)C(O)C5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A09 compound treatment 0.426 0.0163 0.51 0.482 3.28E-4 0.01 0.3699 0.7204 3615223 ACon1_001609 C[C@@]1(O)C[C@@H](O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A10 compound treatment 0.429 0.0193 0.61 0.493 0.0113 0.34 0.6671 0.9608 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A11 compound treatment 0.447 0.0373 1.17 0.507 0.0253 0.75 1.3606 0.9767 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A12 compound treatment 0.443 0.0333 1.05 0.506 0.0243 0.72 1.2508 0.9833 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A13 mock treatment 0.424 0.0143 0.45 0.491 0.00933 0.28 0.514 0.9725 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A14 mock treatment 0.415 0.00533 0.17 0.479 -0.00267 -0.08 0.0625 0.3372 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A15 compound treatment 0.421 0.0113 0.36 0.48 -0.00167 -0.05 0.2168 0.603 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A16 compound treatment 0.416 0.00633 0.2 0.469 -0.0127 -0.38 -0.1248 -0.2937 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A17 compound treatment 0.449 0.0393 1.24 0.52 0.0383 1.14 1.6775 0.9991 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A18 compound treatment 0.421 0.0113 0.36 0.508 0.0263 0.78 0.8035 0.9369 3615246 ACon1_001616 C[C@@H]1O[C@@H](OC2C(O)C(O)C(OC3C(O)COC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C)C3O)OC2C(=O)O)[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A19 compound treatment 0.419 0.00933 0.29 0.475 -0.00667 -0.2 0.0676 0.1911 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A20 compound treatment 0.417 0.00733 0.23 0.478 -0.00367 -0.11 0.086 0.3375 3559151 ACon1_001618 CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)COC8OC(CO)C(O)C(O)C8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A21 compound treatment 0.374 -0.0357 -1.12 0.468 -0.0137 -0.41 -1.0796 -0.9053 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A22 compound treatment 0.414 0.00433 0.14 0.473 -0.00867 -0.26 -0.0855 -0.2939 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A23 compound treatment 0.431 0.0213 0.67 0.486 0.00433 0.13 0.5649 0.8273 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 A24 compound treatment 0.42 0.0103 0.32 0.487 0.00533 0.16 0.3413 0.9451 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B01 compound treatment 0.498 0.0883 2.78 0.577 0.0953 2.82 3.9613 1.0 3615259 ACon1_001623 COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@H](C)O[C@H]2OCC4OC(Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)C(O)C(O)C4O)cc(OC)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B02 compound treatment 0.376 -0.0337 -1.06 0.467 -0.0147 -0.43 -1.0561 -0.9227 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B03 compound treatment 0.37 -0.0397 -1.25 0.448 -0.0337 -1.0 -1.5876 -0.9939 3615264 ACon1_001625 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B04 compound treatment 0.405 -0.00467 -0.15 0.49 0.00833 0.25 0.0706 0.2459 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B05 compound treatment 0.381 -0.0287 -0.9 0.462 -0.0197 -0.58 -1.0497 -0.9777 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B06 compound treatment 0.408 -0.00167 -0.05 0.48 -0.00167 -0.05 -0.0722 -0.9996 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B07 compound treatment 0.39 -0.0197 -0.62 0.456 -0.0257 -0.76 -0.9753 -0.9947 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B08 compound treatment 0.395 -0.0147 -0.46 0.498 0.0163 0.48 0.0159 0.0238 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B09 compound treatment 0.388 -0.0217 -0.68 0.451 -0.0307 -0.91 -1.1245 -0.9899 3615278 ACon1_001631 CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(C)(C)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B10 compound treatment 0.493 0.0833 2.62 0.554 0.0723 2.14 3.3682 0.995 3559815 ACon1_001632 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B11 compound treatment 0.372 -0.0377 -1.18 0.444 -0.0377 -1.12 -1.6269 -0.9996 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B12 compound treatment 0.401 -0.00867 -0.27 0.466 -0.0157 -0.46 -0.5212 -0.9678 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B13 mock treatment 0.374 -0.0357 -1.12 0.46 -0.0217 -0.64 -1.2472 -0.965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B14 mock treatment 0.377 -0.0327 -1.03 0.439 -0.0427 -1.26 -1.6205 -0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B15 compound treatment 0.381 -0.0287 -0.9 0.442 -0.0397 -1.18 -1.4687 -0.9914 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B16 compound treatment 0.422 0.0123 0.39 0.494 0.0123 0.37 0.5324 0.9996 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B17 compound treatment 0.382 -0.0277 -0.87 0.457 -0.0247 -0.73 -1.1322 -0.9963 3615286 ACon1_001637 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B18 compound treatment 0.461 0.0513 1.61 0.493 0.0113 0.34 1.3786 0.8363 3615290 ACon1_001638 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)c(O)c7)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B19 compound treatment 0.368 -0.0417 -1.31 0.429 -0.0527 -1.56 -2.0301 -0.9962 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B20 compound treatment 0.382 -0.0277 -0.87 0.455 -0.0267 -0.79 -1.1741 -0.9988 3615297 ACon1_001640 CC1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC3C(=CCC4[C@@](C)(CCC[C@]34C)C(=O)O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B21 compound treatment 0.437 0.0273 0.86 0.458 -0.0237 -0.7 0.1116 0.1006 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B22 compound treatment 0.342 -0.0677 -2.13 0.422 -0.0597 -1.77 -2.7549 -0.9958 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B23 compound treatment 0.392 -0.0177 -0.56 0.438 -0.0437 -1.29 -1.308 -0.9287 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 B24 compound treatment 0.42 0.0103 0.32 0.461 -0.0207 -0.61 -0.2035 -0.2935 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C01 compound treatment 0.453 0.0433 1.36 0.533 0.0513 1.52 2.0388 0.9985 3615308 ACon1_001645 COC(=O)[C@@H]1C[C@@]2(C=CC[N+]3([O-])CC[C@]45[C@H]23)C(C)[C@]51Nc6ccccc64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C02 compound treatment 0.399 -0.0107 -0.34 0.482 3.28E-4 0.01 -0.2304 -0.6863 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C03 compound treatment 0.444 0.0343 1.08 0.517 0.0353 1.05 1.5035 0.9999 3554647 ACon1_001647 COC(=O)C(=C)[C@]1(O[C@@]/23CC[C@@](C)(O)CC1=O)[C@H](C[C@@]3(C)OC(=O)\C2=C\C)OC(=O)C(=C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C04 compound treatment 0.409 -6.72E-4 -0.02 0.475 -0.00667 -0.2 -0.1547 -0.7782 3615314 ACon1_001648 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(OC(C)/C=C/C4(O)C(C)CC(O)CC4(C)C)OC3CO)[C@@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C05 compound treatment 0.396 -0.0137 -0.43 0.485 0.00333 0.1 -0.2342 -0.5311 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C06 compound treatment 0.399 -0.0107 -0.34 0.455 -0.0267 -0.79 -0.7961 -0.9272 3615318 ACon1_001650 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)OC6OC(COC7OC(CO)C(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(O)C7O)C(O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C07 compound treatment 0.438 0.0283 0.89 0.507 0.0253 0.75 1.1605 0.9964 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C08 compound treatment 0.408 -0.00167 -0.05 0.469 -0.0127 -0.38 -0.3027 -0.7983 3615325 ACon1_001652 CC1OC(OC2C(O)C(O)C(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC2C(=O)O)C(OC9OCC(O)C(O)C9O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C09 compound treatment 0.419 0.00933 0.29 0.488 0.00633 0.19 0.34 0.9766 3558212 ACon1_001653 C[C@@]1(O)CCC2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C10 compound treatment 0.406 -0.00367 -0.12 0.47 -0.0117 -0.35 -0.3262 -0.8946 3615328 ACon1_001654 CC1OC(OCC2OC(OCC3(C)C(O)CCC4(C)C3CCC5(C)C4CCC6C7=CC(C)(C)CCC7(CCC65C)C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C11 mock treatment 0.399 -0.0107 -0.34 0.466 -0.0157 -0.46 -0.5656 -0.9873 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C12 mock treatment 0.402 -0.00767 -0.24 0.463 -0.0187 -0.55 -0.5618 -0.9308 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C13 compound treatment 0.412 0.00233 0.07 0.476 -0.00567 -0.17 -0.0671 -0.3659 3553489 ACon1_001655 CC(C)[C@@H](NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C14 compound treatment 0.394 -0.0157 -0.49 0.464 -0.0177 -0.52 -0.7187 -0.9995 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C15 mock treatment 0.402 -0.00767 -0.24 0.461 -0.0207 -0.61 -0.6037 -0.917 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C16 mock treatment 0.406 -0.00367 -0.12 0.471 -0.0107 -0.32 -0.3052 -0.9067 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C17 compound treatment 0.531 0.121 3.81 0.573 0.0913 2.71 4.6112 0.9859 3615336 ACon1_001657 OC(=O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC(=O)/C=C/c3ccc(O)c(O)c3)C(OC(=O)/C=C/c4ccc(O)c(O)c4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C18 compound treatment 0.408 -0.00167 -0.05 0.475 -0.00667 -0.2 -0.177 -0.8651 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C19 compound treatment 0.438 0.0283 0.89 0.505 0.0233 0.69 1.1186 0.9921 3554116 ACon1_001659 CCC(C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C20 compound treatment 0.389 -0.0207 -0.65 0.447 -0.0347 -1.03 -1.1861 -0.9756 3615343 ACon1_001660 C[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H](CC2(C)C)C4=CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C21 compound treatment 0.437 0.0273 0.86 0.478 -0.00367 -0.11 0.5307 0.6127 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C22 compound treatment 0.465 0.0553 1.74 0.505 0.0233 0.69 1.7189 0.9182 3559174 ACon1_001662 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(CC(=O)c23)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C23 compound treatment 0.425 0.0153 0.48 0.507 0.0253 0.75 0.8715 0.9771 3615348 ACon1_001663 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(CN4CCCC4C(=O)O)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 C24 compound treatment 0.525 0.115 3.63 0.57 0.0883 2.62 4.4149 0.9872 3559220 ACon1_001664 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D01 compound treatment 0.452 0.0423 1.33 0.531 0.0493 1.46 1.9747 0.9989 3615352 ACon1_001665 C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc3ccc(=O)oc13)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D02 compound treatment 0.415 0.00533 0.17 0.492 0.0103 0.31 0.3349 0.9598 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D03 compound treatment 0.437 0.0273 0.86 0.501 0.0193 0.57 1.0126 0.9806 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D04 compound treatment 0.429 0.0193 0.61 0.491 0.00933 0.28 0.6252 0.9364 3615363 ACon1_001668 COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)OC7OC(CO)C(O)C(O)C7NC(=O)C)C(NC(=O)C)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D05 compound treatment 0.417 0.00733 0.23 0.466 -0.0157 -0.46 -0.1654 -0.3191 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D06 compound treatment 0.465 0.0553 1.74 0.525 0.0433 1.28 2.138 0.9888 3615368 ACon1_001670 CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CC(CCCCCCCCCC(C)C)OC1=O)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D07 compound treatment 0.408 -0.00167 -0.05 0.474 -0.00767 -0.23 -0.1979 -0.8482 3615370 ACon1_001671 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COc2c3ccoc3cc4oc(=O)ccc24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D08 compound treatment 0.415 0.00533 0.17 0.48 -0.00167 -0.05 0.0834 0.4776 3554551 ACon1_001672 COC(=O)[C@]1(C)CC[C@@H](OC(=O)C)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3([C@H](OC(=O)C)C4=C)[C@H](CC12)OC(=O)[C@]5(C)O[C@@H]5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D09 compound treatment 0.421 0.0113 0.36 0.489 0.00733 0.22 0.4054 0.9718 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D10 compound treatment 0.416 0.00633 0.2 0.487 0.00533 0.16 0.2523 0.9934 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D11 mock treatment 0.401 -0.00867 -0.27 0.484 0.00233 0.07 -0.144 -0.5121 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D12 mock treatment 0.412 0.00233 0.07 0.479 -0.00267 -0.08 -0.0042 -0.0391 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D13 compound treatment 0.42 0.0103 0.32 0.493 0.0113 0.34 0.467 0.9999 3559167 ACon1_001675 COc1cc(/C=C/CO)cc2[C@@H](CO)[C@H](Oc21)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D14 compound treatment 0.447 0.0373 1.17 0.498 0.0163 0.48 1.1721 0.9232 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D15 mock treatment 0.398 -0.0117 -0.37 0.454 -0.0277 -0.82 -0.8393 -0.9343 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D16 mock treatment 0.413 0.00333 0.1 0.474 -0.00767 -0.23 -0.0867 -0.3466 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D17 compound treatment 0.414 0.00433 0.14 0.473 -0.00867 -0.26 -0.0855 -0.2939 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D18 compound treatment 0.395 -0.0147 -0.46 0.454 -0.0277 -0.82 -0.906 -0.963 3615382 ACon1_001678 COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D19 compound treatment 0.429 0.0193 0.61 0.49 0.00833 0.25 0.6042 0.9212 3559250 ACon1_001679 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D20 compound treatment 0.441 0.0313 0.99 0.497 0.0153 0.45 1.0177 0.9382 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D21 compound treatment 0.422 0.0123 0.39 0.476 -0.00567 -0.17 0.1553 0.3675 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D22 compound treatment 0.403 -0.00667 -0.21 0.481 -6.72E-4 -0.02 -0.1624 -0.7707 3615393 ACon1_001682 CC1C2C(O)C(=O)C3(C)C(CCC4/C(=C(\CCC=C(C)C)/C(=O)O)/C(CC43C)OC(=O)C)C2(C)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D23 compound treatment 0.438 0.0283 0.89 0.5 0.0183 0.54 1.0139 0.9718 3559227 ACon1_001683 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(COC(=O)c4ccc(O)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 D24 compound treatment 0.424 0.0143 0.45 0.487 0.00533 0.16 0.4302 0.9012 3615396 ACon1_001684 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)C6[C@@H](OC)C32)[C@@H]61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E01 mock treatment 0.418 0.00833 0.26 0.498 0.0163 0.48 0.5273 0.9584 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E02 mock treatment 0.406 -0.00367 -0.12 0.483 0.00133 0.04 -0.0538 -0.4412 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E03 compound treatment 0.446 0.0363 1.14 0.492 0.0103 0.31 1.0241 0.866 3557617 ACon1_001685 CC1CC[C@H](OC(=O)c2ccoc2)[C@@]3(C)[C@H](C[C@@H]4C[C@]13OC4(C)C)OC(=O)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E04 compound treatment 0.399 -0.0107 -0.34 0.466 -0.0157 -0.46 -0.5656 -0.9873 3615401 ACon1_001686 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E05 compound treatment 0.419 0.00933 0.29 0.486 0.00433 0.13 0.2981 0.9312 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E06 compound treatment 0.355 -0.0547 -1.72 0.423 -0.0587 -1.74 -2.4449 -1.0 3615406 ACon1_001688 CO[C@@H]1[C@@H](C)O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E07 compound treatment 0.397 -0.0127 -0.4 0.47 -0.0117 -0.35 -0.5263 -0.9975 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E08 compound treatment 0.415 0.00533 0.17 0.493 0.0113 0.34 0.3558 0.9485 3615410 ACon1_001690 COC1OC(O)C(O)C21CC[C@@]3(O2)[C@H](C)C[C@H]4OC(=O)[C@@]5(C)CCC[C@]3(C)C45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E09 mock treatment 0.398 -0.0117 -0.37 0.485 0.00333 0.1 -0.1898 -0.4994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E10 mock treatment 0.399 -0.0107 -0.34 0.474 -0.00767 -0.23 -0.398 -0.982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E11 compound treatment 0.404 -0.00567 -0.18 0.473 -0.00867 -0.26 -0.3078 -0.9841 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E12 compound treatment 0.411 0.00133 0.04 0.489 0.00733 0.22 0.1831 0.8279 3615416 ACon1_001692 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)CC[C@@]31O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E13 compound treatment 0.413 0.00333 0.1 0.491 0.00933 0.28 0.2694 0.9117 905 ACon1_001693 CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E14 compound treatment 0.401 -0.00867 -0.27 0.47 -0.0117 -0.35 -0.4374 -0.9931 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E15 compound treatment 0.435 0.0253 0.8 0.517 0.0353 1.05 1.3034 0.9909 3615422 ACon1_001695 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c4c(=O)cc(oc34)c5ccccc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E16 compound treatment 0.407 -0.00267 -0.08 0.489 0.00733 0.22 0.0941 0.4043 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E17 mock treatment 0.408 -0.00167 -0.05 0.484 0.00233 0.07 0.0116 0.1338 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E18 mock treatment 0.405 -0.00467 -0.15 0.468 -0.0137 -0.41 -0.3903 -0.9058 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E19 compound treatment 0.41 3.28E-4 0.01 0.483 0.00133 0.04 0.0351 0.8633 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E20 compound treatment 0.397 -0.0127 -0.4 0.466 -0.0157 -0.46 -0.6101 -0.9971 3558556 ACon1_001698 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E21 compound treatment 0.42 0.0103 0.32 0.488 0.00633 0.19 0.3622 0.9659 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E22 compound treatment 0.389 -0.0207 -0.65 0.461 -0.0207 -0.61 -0.8927 -0.9996 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E23 compound treatment 0.408 -0.00167 -0.05 0.473 -0.00867 -0.26 -0.2189 -0.8345 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 E24 compound treatment 0.443 0.0333 1.05 0.504 0.0223 0.66 1.2088 0.9754 3557371 ACon1_001702 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F01 mock treatment 0.415 0.00533 0.17 0.506 0.0243 0.72 0.6282 0.8488 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F02 mock treatment 0.41 3.28E-4 0.01 0.508 0.0263 0.78 0.5589 0.7164 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F03 compound treatment 0.417 0.00733 0.23 0.472 -0.00967 -0.29 -0.0397 -0.108 3615435 ACon1_001703 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(O)[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](O[C@@H]6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F04 compound treatment 0.533 0.123 3.88 0.598 0.116 3.45 5.1795 0.9983 3615438 ACon1_001704 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F05 compound treatment 0.399 -0.0107 -0.34 0.478 -0.00367 -0.11 -0.3142 -0.8907 3615441 ACon1_001705 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(C)OC(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F06 compound treatment 0.414 0.00433 0.14 0.472 -0.00967 -0.29 -0.1064 -0.3354 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F07 compound treatment 0.412 0.00233 0.07 0.497 0.0153 0.45 0.3729 0.8106 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F08 compound treatment 0.394 -0.0157 -0.49 0.455 -0.0267 -0.79 -0.9073 -0.9741 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F09 mock treatment 0.401 -0.00867 -0.27 0.47 -0.0117 -0.35 -0.4374 -0.9931 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F10 mock treatment 0.402 -0.00767 -0.24 0.48 -0.00167 -0.05 -0.2056 -0.8349 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F11 compound treatment 0.368 -0.0417 -1.31 0.458 -0.0237 -0.7 -1.4225 -0.9571 3615449 ACon1_001709 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F12 compound treatment 0.577 0.167 5.26 0.637 0.155 4.6 6.9749 0.9978 3557871 ACon1_001710 OC(=O)[C@]1(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4)OC(=O)/C=C/c5ccc(O)c(O)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F13 compound treatment 0.444 0.0343 1.08 0.519 0.0373 1.11 1.5454 0.9999 3553379 ACon1_001711 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)c5cccnc5)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F14 compound treatment 0.422 0.0123 0.39 0.479 -0.00267 -0.08 0.2181 0.5513 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F15 compound treatment 0.412 0.00233 0.07 0.477 -0.00467 -0.14 -0.0461 -0.2945 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F16 compound treatment 0.42 0.0103 0.32 0.494 0.0123 0.37 0.4879 0.9983 3615460 ACon1_001714 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(Oc5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F17 mock treatment 0.417 0.00733 0.23 0.487 0.00533 0.16 0.2746 0.983 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F18 mock treatment 0.422 0.0123 0.39 0.485 0.00333 0.1 0.3438 0.8596 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F19 compound treatment 0.411 0.00133 0.04 0.487 0.00533 0.16 0.1412 0.8644 3559265 ACon1_001715 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@@H]5OC[C@@]6(C)C5[C@]1(C)[C@H](C[C@H]6OC(=O)C)OC(=O)/C(=C/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F20 compound treatment 0.407 -0.00267 -0.08 0.48 -0.00167 -0.05 -0.0944 -0.9683 3615464 ACon1_001716 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](Cl)[C@@](O)(COC(=O)c4ccccc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F21 compound treatment 0.393 -0.0167 -0.52 0.487 0.00533 0.16 -0.259 -0.4732 3615468 ACon1_001717 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F22 compound treatment 0.409 -6.72E-4 -0.02 0.481 -6.72E-4 -0.02 -0.029 -0.9996 3615471 ACon1_001718 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F23 compound treatment 0.401 -0.00867 -0.27 0.481 -6.72E-4 -0.02 -0.2069 -0.7567 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 F24 compound treatment 0.406 -0.00367 -0.12 0.486 0.00433 0.13 0.009 0.0524 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G01 compound treatment 0.38 -0.0297 -0.93 0.516 0.0343 1.02 0.0595 0.0431 3615480 ACon1_001721 C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G02 compound treatment 0.471 0.0613 1.93 0.571 0.0893 2.65 3.2352 0.9879 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G03 mock treatment 0.399 -0.0107 -0.34 0.47 -0.0117 -0.35 -0.4818 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G04 mock treatment 0.388 -0.0217 -0.68 0.468 -0.0137 -0.41 -0.7683 -0.9692 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G05 compound treatment 0.408 -0.00167 -0.05 0.481 -6.72E-4 -0.02 -0.0512 -0.9117 3552804 ACon1_001723 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G06 compound treatment 0.437 0.0273 0.86 0.507 0.0253 0.75 1.1383 0.9977 3615487 ACon1_001724 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C1O)c4c(O)cc(O)c(C(=O)c5ccc(O)cc5)c4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G07 compound treatment 0.416 0.00633 0.2 0.515 0.0333 0.99 0.839 0.8328 3557601 ACon1_001725 CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)C23)c4c(O)c(O)c(cc14)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G08 compound treatment 0.403 -0.00667 -0.21 0.489 0.00733 0.22 0.0052 0.0172 3615490 ACon1_001726 CC1(CO)CC[C@@]2(COC34C=CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(O)C7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)CC2O)C3C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G09 compound treatment 0.405 -0.00467 -0.15 0.481 -6.72E-4 -0.02 -0.118 -0.7957 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G10 compound treatment 0.433 0.0233 0.73 0.512 0.0303 0.9 1.1541 0.9949 3615494 ACon1_001728 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H]4[C@@H]1[C@H](O)C[C@]4(C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G11 compound treatment 0.418 0.00833 0.26 0.501 0.0193 0.57 0.5901 0.9371 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G12 compound treatment 0.423 0.0133 0.42 0.491 0.00933 0.28 0.4918 0.9796 3615499 ACon1_001730 C[C@H]1CCc2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G13 compound treatment 0.433 0.0233 0.73 0.514 0.0323 0.96 1.196 0.9913 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G14 compound treatment 0.464 0.0543 1.71 0.544 0.0623 1.85 2.5139 0.9992 3557525 ACon1_001732 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G15 compound treatment 0.43 0.0203 0.64 0.501 0.0193 0.57 0.8569 0.9985 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G16 compound treatment 0.416 0.00633 0.2 0.486 0.00433 0.13 0.2314 0.9774 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G17 compound treatment 0.414 0.00433 0.14 0.499 0.0173 0.51 0.4593 0.8647 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G18 compound treatment 0.404 -0.00567 -0.18 0.486 0.00433 0.13 -0.0354 -0.1613 3615511 ACon1_001736 CCC(C)C(NC(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)CCC(NC(=O)C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G19 mock treatment 0.399 -0.0107 -0.34 0.484 0.00233 0.07 -0.1885 -0.5502 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G20 mock treatment 0.397 -0.0127 -0.4 0.47 -0.0117 -0.35 -0.5263 -0.9975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G21 compound treatment 0.4 -0.00967 -0.3 0.475 -0.00667 -0.2 -0.3548 -0.9782 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G22 compound treatment 0.402 -0.00767 -0.24 0.471 -0.0107 -0.32 -0.3942 -0.9911 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G23 compound treatment 0.402 -0.00767 -0.24 0.472 -0.00967 -0.29 -0.3732 -0.9963 3615516 ACon1_001739 C[C@@H]1O[C@@H](Oc2ccc(cc2O)C3Oc4cc(O)cc(O)c4C(=O)C3O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 G24 compound treatment 0.463 0.0533 1.68 0.522 0.0403 1.19 2.0307 0.9862 3559198 ACon1_001740 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O[C@@]91CCC(C)CO9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H01 compound treatment 0.428 0.0183 0.58 0.505 0.0233 0.69 0.8963 0.9959 3615520 ACon1_001741 CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)CC[C@H]12)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H02 compound treatment 0.406 -0.00367 -0.12 0.488 0.00633 0.19 0.051 0.2314 3615525 ACon1_001742 COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H03 mock treatment 0.39 -0.0197 -0.62 0.465 -0.0167 -0.49 -0.7867 -0.9938 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H04 mock treatment 0.41 3.28E-4 0.01 0.478 -0.00367 -0.11 -0.0696 -0.6372 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H05 compound treatment 0.399 -0.0107 -0.34 0.472 -0.00967 -0.29 -0.4399 -0.9969 3615530 ACon1_001743 COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5c(=O)oc1c2c53 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H06 compound treatment 0.402 -0.00767 -0.24 0.49 0.00833 0.25 0.0039 0.0114 3552916 ACon1_001744 C[C@H](/C=C/C=C(\C)/C(=O)N[C@H]1[C@@H](C)[C@@H](C)OC1=O)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)C5(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H07 compound treatment 0.38 -0.0297 -0.93 0.451 -0.0307 -0.91 -1.3024 -0.9999 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H08 compound treatment 0.411 0.00133 0.04 0.488 0.00633 0.19 0.1621 0.8439 3559797 ACon1_001746 CO[C@H]1C[C@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CC(OC(=O)C)C45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H09 compound treatment 0.414 0.00433 0.14 0.506 0.0243 0.72 0.606 0.826 3615536 ACon1_001747 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]54C)[C@@]2(C)CO)C(OC7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(=O)O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H10 compound treatment 0.412 0.00233 0.07 0.494 0.0123 0.37 0.3101 0.8323 3559799 ACon1_001748 C[C@@H]1O[C@@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H11 compound treatment 0.431 0.0213 0.67 0.511 0.0293 0.87 1.0887 0.9918 3055308 ACon1_001749 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H12 compound treatment 0.406 -0.00367 -0.12 0.494 0.0123 0.37 0.1767 0.4611 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H13 compound treatment 0.426 0.0163 0.51 0.505 0.0233 0.69 0.8518 0.9893 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H14 compound treatment 0.41 3.28E-4 0.01 0.496 0.0143 0.42 0.3075 0.7241 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H15 compound treatment 0.419 0.00933 0.29 0.482 3.28E-4 0.01 0.2143 0.7301 3615548 ACon1_001753 COc1ccc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)c3cc(C)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H16 compound treatment 0.443 0.0333 1.05 0.496 0.0143 0.42 1.0412 0.9209 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H17 compound treatment 0.415 0.00533 0.17 0.499 0.0173 0.51 0.4815 0.8916 3615554 ACon1_001755 CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)CC67)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H18 compound treatment 0.438 0.0283 0.89 0.536 0.0543 1.61 1.7682 0.9611 3615558 ACon1_001756 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)c(O)c7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H19 mock treatment 0.397 -0.0127 -0.4 0.476 -0.00567 -0.17 -0.4006 -0.9263 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H20 mock treatment 0.401 -0.00867 -0.27 0.487 0.00533 0.16 -0.0812 -0.2576 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H21 compound treatment 0.401 -0.00867 -0.27 0.466 -0.0157 -0.46 -0.5212 -0.9678 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H22 compound treatment 0.42 0.0103 0.32 0.498 0.0163 0.48 0.5718 0.9812 3558771 ACon1_001758 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H23 compound treatment 0.441 0.0313 0.99 0.51 0.0283 0.84 1.2901 0.9968 3615567 ACon1_001759 COc1ccc2c3[C@H](OCC=C(C)C)[C@]4(O)N([C@H]5CC(C)(C)OO[C@H](C=C(C)C)n(c53)c2c1)C(=O)[C@@H]6CCCN6C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 H24 compound treatment 0.441 0.0313 0.99 0.516 0.0343 1.02 1.4158 0.9999 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I01 compound treatment 0.422 0.0123 0.39 0.515 0.0333 0.99 0.9724 0.9166 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I02 compound treatment 0.446 0.0363 1.14 0.513 0.0313 0.93 1.4641 0.9947 3615576 ACon1_001762 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I03 compound treatment 0.428 0.0183 0.58 0.509 0.0273 0.81 0.9801 0.9861 3555361 ACon1_001763 COCC1C(=O)O[C@H]2C[C@@]3(C)OC(=O)/C(=C/C)/[C@]43CC[C@@](C)(O)CC(=O)[C@]12O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I04 compound treatment 0.391 -0.0187 -0.59 0.467 -0.0147 -0.43 -0.7226 -0.9891 3615580 ACon1_001764 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I05 mock treatment 0.403 -0.00667 -0.21 0.47 -0.0117 -0.35 -0.3929 -0.9713 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I06 mock treatment 0.394 -0.0157 -0.49 0.476 -0.00567 -0.17 -0.4673 -0.8975 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I07 compound treatment 0.463 0.0533 1.68 0.526 0.0443 1.31 2.1145 0.9927 3615585 ACon1_001765 O[C@@H]1[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I08 compound treatment 0.408 -0.00167 -0.05 0.493 0.0113 0.34 0.2002 0.5892 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I09 compound treatment 0.359 -0.0507 -1.59 0.46 -0.0217 -0.64 -1.5807 -0.9202 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I10 compound treatment 0.415 0.00533 0.17 0.494 0.0123 0.37 0.3768 0.9375 3615592 ACon1_001768 C[C@H]1CCc2ccncc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@]4(C)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I11 compound treatment 0.425 0.0153 0.48 0.489 0.00733 0.22 0.4943 0.9352 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I12 compound treatment 0.413 0.00333 0.1 0.486 0.00433 0.13 0.1647 0.9949 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I13 compound treatment 0.407 -0.00267 -0.08 0.477 -0.00467 -0.14 -0.1573 -0.9714 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I14 compound treatment 0.427 0.0173 0.54 0.502 0.0203 0.6 0.8112 0.9987 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I15 compound treatment 0.401 -0.00867 -0.27 0.459 -0.0227 -0.67 -0.6678 -0.9211 3615604 ACon1_001773 O[C@@H]1[C@@H](Oc2c([C@H]3C[C@@H](Oc4cc(O)ccc34)c5ccc(O)c(O)c5)c(O)cc(O)c2C1=O)c6ccc(O)c(O)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I16 compound treatment 0.407 -0.00267 -0.08 0.478 -0.00367 -0.11 -0.1363 -0.9918 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I17 compound treatment 0.387 -0.0227 -0.71 0.483 0.00133 0.04 -0.4763 -0.6671 3615612 ACon1_001775 OC[C@H]1O[C@@H](Oc2ccc(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I18 compound treatment 0.409 -6.72E-4 -0.02 0.484 0.00233 0.07 0.0338 0.4691 3558031 ACon1_001776 COc1ccc(/C=C/C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I19 compound treatment 0.423 0.0133 0.42 0.488 0.00633 0.19 0.4289 0.9342 3554120 ACon1_001777 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I20 compound treatment 0.39 -0.0197 -0.62 0.476 -0.00567 -0.17 -0.5562 -0.8678 3559162 ACon1_001778 Oc1ccc(cc1)[C@H]2[C@H]([C@@H]3[C@H](c4ccc(O)cc4)c5ccc(O)cc5OC3=O)C(=O)Oc6cc(O)ccc26 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I21 mock treatment 0.398 -0.0117 -0.37 0.47 -0.0117 -0.35 -0.5041 -0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I22 mock treatment 0.404 -0.00567 -0.18 0.465 -0.0167 -0.49 -0.4754 -0.9052 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I23 compound treatment 0.404 -0.00567 -0.18 0.481 -6.72E-4 -0.02 -0.1402 -0.7812 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 I24 compound treatment 0.454 0.0443 1.39 0.528 0.0463 1.37 1.9563 1.0 3615620 ACon1_001780 CC(C)C(=C)CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(=O)C)[C@]12C)[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)C4CC3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J01 compound treatment 0.434 0.0243 0.76 0.525 0.0433 1.28 1.4487 0.9694 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J02 compound treatment 0.441 0.0313 0.99 0.506 0.0243 0.72 1.2063 0.9882 3615625 ACon1_001782 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J03 compound treatment 0.385 -0.0247 -0.78 0.464 -0.0177 -0.52 -0.9188 -0.9817 3615627 ACon1_001783 CC1(CO)CC(O)[C@@]2(CCC34CC4(C=CC5[C@@]6(C)C[C@@H](O)[C@H](O)C(CO)(CO)C6CC[C@]53C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J04 compound treatment 0.442 0.0323 1.02 0.508 0.0263 0.78 1.2704 0.9915 3558573 ACon1_001784 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J05 mock treatment 0.408 -0.00167 -0.05 0.476 -0.00567 -0.17 -0.156 -0.886 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J06 mock treatment 0.419 0.00933 0.29 0.48 -0.00167 -0.05 0.1724 0.5795 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J07 compound treatment 0.434 0.0243 0.76 0.502 0.0203 0.6 0.9668 0.993 3615632 ACon1_001785 COc1cc(O)cc(C)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J08 compound treatment 0.409 -6.72E-4 -0.02 0.498 0.0163 0.48 0.3272 0.6756 3559809 ACon1_001786 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC2CCC3(C)C(CC[C@@H]4[C@@H]3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J09 compound treatment 0.428 0.0183 0.58 0.511 0.0293 0.87 1.022 0.9801 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J10 compound treatment 0.414 0.00433 0.14 0.49 0.00833 0.25 0.2707 0.9607 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J11 compound treatment 0.441 0.0313 0.99 0.515 0.0333 0.99 1.3949 1.0 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J12 compound treatment 0.427 0.0173 0.54 0.501 0.0193 0.57 0.7902 0.9997 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J13 compound treatment 0.426 0.0163 0.51 0.488 0.00633 0.19 0.4956 0.9068 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J14 compound treatment 0.41 3.28E-4 0.01 0.487 0.00533 0.16 0.1189 0.7517 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J15 compound treatment 0.414 0.00433 0.14 0.499 0.0173 0.51 0.4593 0.8647 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J16 compound treatment 0.418 0.00833 0.26 0.493 0.0113 0.34 0.4225 0.9925 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J17 compound treatment 0.416 0.00633 0.2 0.5 0.0183 0.54 0.5247 0.9072 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J18 compound treatment 0.468 0.0583 1.83 0.544 0.0623 1.85 2.6028 1.0 3615653 ACon1_001796 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)cc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J19 compound treatment 0.418 0.00833 0.26 0.484 0.00233 0.07 0.2339 0.8639 3615657 ACon1_001797 COCC1OC(OC(C)(C)C(O)CCC2(C)C/C(=C/3\CCC4C3(C)CC(O)C5OC(CCC45C)C(C)(C)OC6OC(COC)C(O)C(O)C6NC(=O)C)/CCC2O)C(NC(=O)C)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J20 compound treatment 0.481 0.0713 2.24 0.547 0.0653 1.94 2.9547 0.9973 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J21 mock treatment 0.414 0.00433 0.14 0.477 -0.00467 -0.14 -0.0017 -0.0085 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J22 mock treatment 0.397 -0.0127 -0.4 0.49 0.00833 0.25 -0.1072 -0.2288 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J23 compound treatment 0.441 0.0313 0.99 0.522 0.0403 1.19 1.5415 0.9954 3615664 ACon1_001799 CC(C)CC1NC(=O)C(CC(C)C)N(O[C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 J24 compound treatment 0.425 0.0153 0.48 0.52 0.0383 1.14 1.1439 0.9272 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K01 compound treatment 0.423 0.0133 0.42 0.524 0.0423 1.25 1.1832 0.8947 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K02 compound treatment 0.429 0.0193 0.61 0.5 0.0183 0.54 0.8138 0.9984 3615671 ACon1_001802 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K03 compound treatment 0.465 0.0553 1.74 0.548 0.0663 1.97 2.6199 0.9981 3558951 ACon1_001803 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K04 compound treatment 0.403 -0.00667 -0.21 0.471 -0.0107 -0.32 -0.3719 -0.9801 3615676 ACon1_001804 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K05 compound treatment 0.421 0.0113 0.36 0.492 0.0103 0.31 0.4683 0.9971 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K06 compound treatment 0.383 -0.0267 -0.84 0.475 -0.00667 -0.2 -0.7328 -0.8505 3615680 ACon1_001806 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K07 mock treatment 0.412 0.00233 0.07 0.483 0.00133 0.04 0.0796 0.9576 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K08 mock treatment 0.423 0.0133 0.42 0.49 0.00833 0.25 0.4708 0.9681 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K09 compound treatment 0.433 0.0233 0.73 0.504 0.0223 0.66 0.9865 0.9987 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K10 compound treatment 0.432 0.0223 0.7 0.506 0.0243 0.72 1.0062 0.9999 3615685 ACon1_001808 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C\c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K11 compound treatment 0.409 -6.72E-4 -0.02 0.501 0.0193 0.57 0.39 0.6806 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K12 compound treatment 0.416 0.00633 0.2 0.49 0.00833 0.25 0.3152 0.9943 3615689 ACon1_001810 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K13 compound treatment 0.662 0.252 7.93 0.735 0.253 7.51 10.9181 0.9996 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K14 compound treatment 0.46 0.0503 1.58 0.526 0.0443 1.31 2.0478 0.9957 3615693 ACon1_001812 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K15 mock treatment 0.429 0.0193 0.61 0.49 0.00833 0.25 0.6042 0.9212 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K16 mock treatment 0.424 0.0143 0.45 0.486 0.00433 0.13 0.4093 0.8737 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K17 compound treatment 0.424 0.0143 0.45 0.497 0.0153 0.45 0.6397 1.0 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K18 compound treatment 0.434 0.0243 0.76 0.508 0.0263 0.78 1.0926 1.0 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K19 compound treatment 0.424 0.0143 0.45 0.497 0.0153 0.45 0.6397 1.0 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K20 compound treatment 0.443 0.0333 1.05 0.493 0.0113 0.34 0.9784 0.8891 3558198 ACon1_001816 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K21 compound treatment 0.413 0.00333 0.1 0.481 -6.72E-4 -0.02 0.0599 0.5625 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K22 compound treatment 0.427 0.0173 0.54 0.485 0.00333 0.1 0.455 0.8217 3615705 ACon1_001818 C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K23 mock treatment 0.405 -0.00467 -0.15 0.48 -0.00167 -0.05 -0.1389 -0.896 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 K24 mock treatment 0.428 0.0183 0.58 0.49 0.00833 0.25 0.582 0.9284 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L01 compound treatment 0.449 0.0393 1.24 0.521 0.0393 1.17 1.6984 0.9996 3557532 ACon1_001819 C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L02 compound treatment 0.461 0.0513 1.61 0.536 0.0543 1.61 2.2795 1.0 3615710 ACon1_001820 COc1c(O)c2c(=O)c(O)c(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L03 compound treatment 0.423 0.0133 0.42 0.491 0.00933 0.28 0.4918 0.9796 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L04 compound treatment 0.407 -0.00267 -0.08 0.483 0.00133 0.04 -0.0316 -0.3404 3615716 ACon1_001822 C[C@@]1([C@H](O)CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@@H]3CC[C@@]12O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L05 compound treatment 0.412 0.00233 0.07 0.479 -0.00267 -0.08 -0.0042 -0.0391 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L06 compound treatment 0.451 0.0413 1.3 0.526 0.0443 1.31 1.8477 1.0 3557431 ACon1_001824 CC(C)CCCCCCCCC/C=C/C(=O)NC1C(O)C(O)C(CC(O)C2OC(C(O)C2O)n3ccc(=O)[nH]c3=O)OC1OC4OC(CO)C(O)C(O)C4NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L07 mock treatment 0.419 0.00933 0.29 0.484 0.00233 0.07 0.2562 0.8502 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L08 mock treatment 0.412 0.00233 0.07 0.489 0.00733 0.22 0.2053 0.8959 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L09 compound treatment 0.425 0.0153 0.48 0.489 0.00733 0.22 0.4943 0.9352 3615722 ACon1_001825 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(=O)C)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L10 compound treatment 0.413 0.00333 0.1 0.486 0.00433 0.13 0.1647 0.9949 3559811 ACon1_001826 C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)OC4CC(O)C5(C)C(CC[C@@H]6[C@@H]5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L11 compound treatment 0.422 0.0123 0.39 0.477 -0.00467 -0.14 0.1762 0.4281 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L12 compound treatment 0.422 0.0123 0.39 0.495 0.0133 0.39 0.5534 1.0 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L13 compound treatment 0.438 0.0283 0.89 0.513 0.0313 0.93 1.2863 0.9998 3557341 ACon1_001829 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O[C@@]91CC[C@@](C)(CO)O9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L14 compound treatment 0.422 0.0123 0.39 0.494 0.0123 0.37 0.5324 0.9996 3615729 ACon1_001830 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OCC(OC5C(O)C(O[C@H]6CC[C@]7(C)C8CC(OC(=O)c9ccccc9)[C@]%10(C)[C@@](O)(CC[C@]%10(O)[C@]8(O)CC=C7C6)C(=O)C)OC(CO)C5OC%11OC(CO)C(O)C(O)C%11O)C4OC)OC(C)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L15 mock treatment 0.411 0.00133 0.04 0.476 -0.00567 -0.17 -0.0893 -0.5157 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L16 mock treatment 0.412 0.00233 0.07 0.481 -6.72E-4 -0.02 0.0377 0.4968 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L17 compound treatment 0.443 0.0333 1.05 0.513 0.0313 0.93 1.3974 0.9982 3559248 ACon1_001831 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L18 compound treatment 0.379 -0.0307 -0.96 0.455 -0.0267 -0.79 -1.2408 -0.9951 3615734 ACon1_001832 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L19 compound treatment 0.411 0.00133 0.04 0.484 0.00233 0.07 0.0783 0.9711 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L20 compound treatment 0.425 0.0153 0.48 0.484 0.00233 0.07 0.3896 0.8002 3615742 ACon1_001834 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L21 compound treatment 0.441 0.0313 0.99 0.482 3.28E-4 0.01 0.7034 0.7141 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L22 compound treatment 0.432 0.0223 0.7 0.487 0.00533 0.16 0.6081 0.845 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L23 mock treatment 0.406 -0.00367 -0.12 0.46 -0.0217 -0.64 -0.5357 -0.8211 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 L24 mock treatment 0.427 0.0173 0.54 0.493 0.0113 0.34 0.6226 0.9729 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M01 compound treatment 0.463 0.0533 1.68 0.551 0.0693 2.05 2.6383 0.9949 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M02 compound treatment 0.455 0.0453 1.43 0.535 0.0533 1.58 2.1252 0.9987 3615752 ACon1_001838 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M03 compound treatment 0.414 0.00433 0.14 0.488 0.00633 0.19 0.2288 0.9876 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M04 compound treatment 0.408 -0.00167 -0.05 0.478 -0.00367 -0.11 -0.1141 -0.9443 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M05 compound treatment 0.429 0.0193 0.61 0.501 0.0193 0.57 0.8347 0.9996 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M06 compound treatment 0.411 0.00133 0.04 0.475 -0.00667 -0.2 -0.1103 -0.5457 3615758 ACon1_001842 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M07 compound treatment 0.428 0.0183 0.58 0.502 0.0203 0.6 0.8334 0.9998 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M08 compound treatment 0.421 0.0113 0.36 0.486 0.00433 0.13 0.3426 0.9048 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M09 mock treatment 0.417 0.00733 0.23 0.5 0.0183 0.54 0.547 0.9271 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M10 mock treatment 0.412 0.00233 0.07 0.491 0.00933 0.28 0.2472 0.8646 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M11 compound treatment 0.427 0.0173 0.54 0.507 0.0253 0.75 0.916 0.9876 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M12 compound treatment 0.409 -6.72E-4 -0.02 0.476 -0.00567 -0.17 -0.1338 -0.7898 3615770 ACon1_001846 CC1CC(=O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M13 mock treatment 0.412 0.00233 0.07 0.487 0.00533 0.16 0.1634 0.9389 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M14 mock treatment 0.424 0.0143 0.45 0.486 0.00433 0.13 0.4093 0.8737 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M15 compound treatment 0.408 -0.00167 -0.05 0.482 3.28E-4 0.01 -0.0303 -0.5667 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M16 compound treatment 0.433 0.0233 0.73 0.494 0.0123 0.37 0.777 0.9482 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M17 compound treatment 0.425 0.0153 0.48 0.496 0.0143 0.42 0.641 0.998 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M18 compound treatment 0.433 0.0233 0.73 0.503 0.0213 0.63 0.9656 0.9972 3615780 ACon1_001850 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M19 compound treatment 0.449 0.0393 1.24 0.543 0.0613 1.82 2.1594 0.9824 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M20 compound treatment 0.456 0.0463 1.46 0.526 0.0443 1.31 1.9588 0.9987 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M21 compound treatment 0.444 0.0343 1.08 0.514 0.0323 0.96 1.4406 0.9982 3615790 ACon1_001853 CC1C[C@]2(CC3C(C)(C)[C@@]4(C[C@]53CN2C1=O)C(=O)Nc6c4ccc7OC(C)(C)CC(=O)c67)C(=O)N5C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M22 compound treatment 0.46 0.0503 1.58 0.522 0.0403 1.19 1.964 0.9904 3557357 ACon1_001854 CC(C)[C@@H](OC(=O)C)c1nc2ccccc2c(=O)n1[C@@H]3C[C@]4(OC3=O)[C@H]5N(O)[C@@H](C)C(=O)N5c6ccccc64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M23 compound treatment 0.503 0.0933 2.93 0.555 0.0733 2.17 3.6115 0.9891 3559013 ACon1_001855 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2c4c(O)cc(O)c5c(=O)cc(oc45)c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 M24 compound treatment 0.463 0.0533 1.68 0.549 0.0673 2.0 2.5964 0.9963 3559205 ACon1_001856 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@@H](OC[C@H]23)c4cc(OC)c(OC)c(OC)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N01 compound treatment 0.449 0.0393 1.24 0.515 0.0333 0.99 1.5727 0.9938 3615795 ACon1_001857 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(C)O)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N02 compound treatment 0.422 0.0123 0.39 0.498 0.0163 0.48 0.6162 0.994 3615797 ACon1_001858 C[C@@H]1OC(=O)[C@]2(C(=C)[C@@]3(C)OC(=O)[C@@]12O)C4(C)CC[C@]5(C=CC(=O)OC5(C)C)C(=C4[C@H]3OC(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N03 compound treatment 0.384 -0.0257 -0.81 0.476 -0.00567 -0.17 -0.6896 -0.8364 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N04 compound treatment 0.414 0.00433 0.14 0.487 0.00533 0.16 0.2079 0.9973 3615805 ACon1_001860 COc1cc(ccc1O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc3ccc(/C=C/CO)cc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N05 compound treatment 0.453 0.0433 1.36 0.524 0.0423 1.25 1.8502 0.9991 3615808 ACon1_001861 C/C(=C\Cc1c(O)ccc2ccc(=O)oc12)/CO[C@@H]3O[C@H](COC(=O)CC(=O)OC[C@H]4O[C@@H](OC(C)(C)C5Cc6cc7cc(O)c(=O)oc7cc6O5)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N06 compound treatment 0.435 0.0253 0.8 0.506 0.0243 0.72 1.0729 0.9988 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N07 compound treatment 0.441 0.0313 0.99 0.504 0.0223 0.66 1.1644 0.9812 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N08 compound treatment 0.424 0.0143 0.45 0.48 -0.00167 -0.05 0.2835 0.6256 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N09 mock treatment 0.411 0.00133 0.04 0.476 -0.00567 -0.17 -0.0893 -0.5157 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N10 mock treatment 0.421 0.0113 0.36 0.495 0.0133 0.39 0.5311 0.9987 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N11 compound treatment 0.423 0.0133 0.42 0.502 0.0203 0.6 0.7223 0.9843 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N12 compound treatment 0.408 -0.00167 -0.05 0.478 -0.00367 -0.11 -0.1141 -0.9443 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N13 mock treatment 0.409 -6.72E-4 -0.02 0.49 0.00833 0.25 0.1596 0.6442 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N14 mock treatment 0.422 0.0123 0.39 0.488 0.00633 0.19 0.4067 0.9445 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N15 compound treatment 0.464 0.0543 1.71 0.515 0.0333 0.99 1.9062 0.9661 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N16 compound treatment 0.401 -0.00867 -0.27 0.468 -0.0137 -0.41 -0.4793 -0.9814 3615816 ACon1_001868 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(OC(=O)C)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N17 compound treatment 0.409 -6.72E-4 -0.02 0.471 -0.0107 -0.32 -0.2385 -0.7527 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N18 compound treatment 0.415 0.00533 0.17 0.491 0.00933 0.28 0.3139 0.9712 3615824 ACon1_001870 C/C(=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O)/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N19 compound treatment 0.421 0.0113 0.36 0.475 -0.00667 -0.2 0.1121 0.2751 3615829 ACon1_001871 COCC1OC(OC(C)(C)C2CCC3(C)C4CC/C(=C\5/CCC(O)C(C)(CCC(O)C(C)(C)O)C5)/C4(C)CC(O)C3O2)C(NC(=O)C)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N20 compound treatment 0.564 0.154 4.85 0.509 0.0273 0.81 4.0039 0.8139 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N21 compound treatment 0.431 0.0213 0.67 0.495 0.0133 0.39 0.7535 0.9681 3554654 ACon1_001873 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](O)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N22 compound treatment 0.423 0.0133 0.42 0.476 -0.00567 -0.17 0.1775 0.3931 3558591 ACon1_001874 CC(=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N23 compound treatment 0.435 0.0253 0.8 0.497 0.0153 0.45 0.8843 0.9645 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 N24 compound treatment 0.447 0.0373 1.17 0.517 0.0353 1.05 1.5702 0.9984 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O01 compound treatment 0.474 0.0643 2.02 0.558 0.0763 2.26 3.0295 0.9984 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O02 compound treatment 0.406 -0.00367 -0.12 0.491 0.00933 0.28 0.1138 0.3799 3615852 ACon1_001878 C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)C(O)C(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)[C@H](O)[C@H](O)[C@H]1OC9OCC(O)C(O)C9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O03 compound treatment 0.402 -0.00767 -0.24 0.477 -0.00467 -0.14 -0.2685 -0.9652 3552644 ACon1_001879 C[C@@H]1C[C@]2(O[C@H](O)[C@@]3(C)O[C@H]32)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(=O)C)[C@]5(C)[C@H]41)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O04 compound treatment 0.447 0.0373 1.17 0.494 0.0123 0.37 1.0883 0.8853 3615859 ACon1_001880 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O05 compound treatment 0.465 0.0553 1.74 0.549 0.0673 2.0 2.6409 0.9977 3558011 ACon1_001881 CC(=O)OC[C@]1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3OC%10OCC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)[C@@H](O)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O06 compound treatment 0.429 0.0193 0.61 0.518 0.0363 1.08 1.1909 0.9634 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O07 compound treatment 0.427 0.0173 0.54 0.505 0.0233 0.69 0.8741 0.9931 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O08 compound treatment 0.436 0.0263 0.83 0.522 0.0403 1.19 1.4304 0.9839 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O09 compound treatment 0.448 0.0383 1.21 0.527 0.0453 1.34 1.8019 0.9985 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O10 compound treatment 0.442 0.0323 1.02 0.519 0.0373 1.11 1.5009 0.9991 3615878 ACon1_001886 CC1C(C)c2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O11 mock treatment 0.435 0.0253 0.8 0.51 0.0283 0.84 1.1567 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O12 mock treatment 0.422 0.0123 0.39 0.503 0.0213 0.63 0.721 0.9725 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O13 compound treatment 0.424 0.0143 0.45 0.495 0.0133 0.39 0.5978 0.9978 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O14 compound treatment 0.434 0.0243 0.76 0.499 0.0173 0.51 0.904 0.9812 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O15 compound treatment 0.484 0.0743 2.34 0.543 0.0613 1.82 2.9376 0.9923 3558264 ACon1_001889 O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O16 compound treatment 0.448 0.0383 1.21 0.503 0.0213 0.63 1.2991 0.9546 3615891 ACon1_001890 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O17 compound treatment 0.435 0.0253 0.8 0.521 0.0393 1.17 1.3872 0.9828 3615895 ACon1_001891 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O18 compound treatment 0.439 0.0293 0.92 0.513 0.0313 0.93 1.3085 1.0 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O19 compound treatment 0.427 0.0173 0.54 0.494 0.0123 0.37 0.6436 0.9811 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O20 compound treatment 0.459 0.0493 1.55 0.523 0.0413 1.22 1.9627 0.9932 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O21 compound treatment 0.472 0.0623 1.96 0.551 0.0693 2.05 2.8384 0.9997 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O22 compound treatment 0.423 0.0133 0.42 0.496 0.0143 0.42 0.5965 1.0 3559164 ACon1_001896 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O23 compound treatment 0.431 0.0213 0.67 0.505 0.0233 0.69 0.963 0.9999 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 O24 compound treatment 0.47 0.0603 1.9 0.547 0.0653 1.94 2.7101 0.9999 3557540 ACon1_001898 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P01 compound treatment 0.481 0.0713 2.24 0.552 0.0703 2.08 3.0595 0.9993 3615923 ACon1_001899 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P02 compound treatment 0.48 0.0703 2.21 0.566 0.0843 2.5 3.3306 0.9981 3615928 ACon1_001900 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P03 compound treatment 0.463 0.0533 1.68 0.543 0.0613 1.82 2.4707 0.9992 3615934 ACon1_001901 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(=O)O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P04 compound treatment 0.516 0.106 3.34 0.6 0.118 3.51 4.8434 0.9997 3615941 ACon1_001902 CCC(C)CCCCCCCCC1CC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P05 compound treatment 0.441 0.0313 0.99 0.506 0.0243 0.72 1.2063 0.9882 3615944 ACon1_001903 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(OC)C8O)C(C)O7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P06 compound treatment 0.426 0.0163 0.51 0.486 0.00433 0.13 0.4537 0.8574 3553131 ACon1_001904 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(cn(O)c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P07 compound treatment 0.482 0.0723 2.27 0.555 0.0733 2.17 3.1446 0.9997 3615949 ACon1_001905 COC1OC(OC)C(O)(CC[C@@]2(O)[C@H](C)C[C@@H](O)C3[C@@](C)(CO)CCC[C@]32C)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P08 compound treatment 0.443 0.0333 1.05 0.518 0.0363 1.08 1.5022 0.9999 3557451 ACon1_001906 C[C@@]12C[C@H](O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P09 compound treatment 0.456 0.0463 1.46 0.573 0.0913 2.71 2.9436 0.9578 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P10 compound treatment 0.449 0.0393 1.24 0.529 0.0473 1.4 1.8661 0.998 3559822 ACon1_001908 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C)C(=O)OC7OC(CO)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%11OCC(O)C(O)C%11O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P11 mock treatment 0.435 0.0253 0.8 0.528 0.0463 1.37 1.5338 0.9665 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P12 mock treatment 0.449 0.0393 1.24 0.52 0.0383 1.14 1.6775 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P13 compound treatment 0.436 0.0263 0.83 0.513 0.0313 0.93 1.2418 0.9984 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P14 compound treatment 0.463 0.0533 1.68 0.535 0.0533 1.58 2.3031 0.9996 3615963 ACon1_001910 OCC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CC/C(=C/[C@H]4OC(=O)C(=C)[C@@H]41)/CO[C@@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P15 compound treatment 0.453 0.0433 1.36 0.502 0.0203 0.6 1.3893 0.9326 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P16 compound treatment 0.409 -6.72E-4 -0.02 0.476 -0.00567 -0.17 -0.1338 -0.7898 3615970 ACon1_001912 CC1(C)C(CCC2(C)C3CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C=C)C=C3CCC12)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P17 compound treatment 0.469 0.0593 1.87 0.534 0.0523 1.55 2.4155 0.9958 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P18 compound treatment 0.494 0.0843 2.65 0.55 0.0683 2.02 3.3066 0.9911 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P19 compound treatment 0.444 0.0343 1.08 0.503 0.0213 0.63 1.2101 0.9675 3615980 ACon1_001915 CCC(C)C(OC1OC(C)C(O)C(O)C1O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C(O)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P20 compound treatment 0.509 0.0993 3.12 0.583 0.101 3.0 4.3315 0.9998 3615986 ACon1_001916 C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(C(O)C[C@]76C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)O[C@@H]3COC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P21 compound treatment 0.448 0.0383 1.21 0.519 0.0373 1.11 1.6343 0.9991 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P22 compound treatment 0.448 0.0383 1.21 0.522 0.0403 1.19 1.6972 1.0 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P23 compound treatment 0.45 0.0403 1.27 0.507 0.0253 0.75 1.4273 0.9687 3559104 ACon1_001919 COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2295 P24 compound treatment 0.504 0.0943 2.97 0.576 0.0943 2.8 4.0737 0.9996 3558533 ACon1_001920 OC[C@H]1O[C@@H](OC2OC=C3[C@@H](C[C@H]4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A01 compound treatment 0.516 0.0364 1.14 0.506 0.0315 0.93 1.4691 0.995 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A02 compound treatment 0.499 0.0194 0.61 0.473 -0.00147 -0.04 0.3997 0.6549 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A03 compound treatment 0.479 -6.41E-4 -0.02 0.501 0.0265 0.79 0.5417 0.6888 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A04 compound treatment 0.482 0.00236 0.07 0.474 -4.69E-4 -0.01 0.0426 0.5649 3616008 ACon1_001924 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CO)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A05 compound treatment 0.499 0.0194 0.61 0.501 0.0265 0.79 0.9863 0.992 3554100 ACon1_001925 CCC(=O)OC1C(C)CC2(OC(=O)C)C1C(OC(=O)C)C3(CO3)CCC4C(/C=C(\C)/C2=O)C4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A06 compound treatment 0.673 0.193 6.08 0.682 0.208 6.15 8.6475 1.0 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A07 compound treatment 0.536 0.0564 1.77 0.532 0.0575 1.7 2.4585 0.9998 3616015 ACon1_001927 CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(=O)O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)C[C@@H](OC(=O)C)[C@]21[C@H](O)O3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A08 compound treatment 0.677 0.197 6.21 0.685 0.211 6.24 8.7993 1.0 3616020 ACon1_001928 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A09 compound treatment 0.517 0.0374 1.17 0.504 0.0295 0.88 1.4494 0.9895 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A10 compound treatment 0.63 0.15 4.73 0.629 0.155 4.58 6.5809 0.9999 3558789 ACon1_001930 OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A11 compound treatment 0.585 0.105 3.31 0.554 0.0795 2.36 4.0089 0.9861 3616030 ACon1_001931 OCC1OC(C(O)C(O)C1OC2OCC(O)(CO)C2O)c3c(O)cc4OC(C(C(=O)c4c3O)c5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)c8ccc(O)cc8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A12 compound treatment 0.519 0.0394 1.24 0.514 0.0395 1.17 1.7034 0.9996 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A13 mock treatment 0.488 0.00836 0.26 0.49 0.0155 0.46 0.5113 0.9647 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A14 mock treatment 0.474 -0.00564 -0.18 0.486 0.0115 0.34 0.1162 0.3018 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A15 compound treatment 0.507 0.0274 0.86 0.513 0.0385 1.14 1.4156 0.9903 3616036 ACon1_001933 OC[C@H]1O[C@@H](Oc2ccc3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A16 compound treatment 0.484 0.00436 0.14 0.493 0.0185 0.55 0.4852 0.8573 3616041 ACon1_001934 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A17 compound treatment 0.516 0.0364 1.14 0.497 0.0225 0.67 1.2805 0.9672 3616047 ACon1_001935 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A18 compound treatment 0.525 0.0454 1.43 0.524 0.0495 1.47 2.0463 0.9999 3552637 ACon1_001936 C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C\C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A19 compound treatment 0.523 0.0434 1.36 0.513 0.0385 1.14 1.7714 0.9961 3616054 ACon1_001937 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A20 compound treatment 0.465 -0.0146 -0.46 0.468 -0.00647 -0.19 -0.4611 -0.9246 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A21 compound treatment 0.496 0.0164 0.51 0.495 0.0205 0.61 0.7939 0.9965 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A22 compound treatment 0.485 0.00536 0.17 0.484 0.00953 0.28 0.3189 0.9695 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A23 compound treatment 0.489 0.00936 0.29 0.477 0.00253 0.08 0.2611 0.8598 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 A24 compound treatment 0.487 0.00736 0.23 0.48 0.00553 0.16 0.2795 0.9857 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B01 compound treatment 0.513 0.0334 1.05 0.513 0.0385 1.14 1.549 0.9991 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B02 compound treatment 0.467 -0.0126 -0.4 0.467 -0.00747 -0.22 -0.4375 -0.9618 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B03 compound treatment 0.453 -0.0266 -0.84 0.461 -0.0135 -0.4 -0.8745 -0.9425 3616073 ACon1_001945 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B04 compound treatment 0.449 -0.0306 -0.96 0.449 -0.0255 -0.75 -1.2149 -0.9927 3559763 ACon1_001946 OC[C@H]1O[C@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B05 compound treatment 0.449 -0.0306 -0.96 0.444 -0.0305 -0.9 -1.3197 -0.9995 3616080 ACon1_001947 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B06 compound treatment 0.463 -0.0166 -0.52 0.463 -0.0115 -0.34 -0.6103 -0.9782 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B07 compound treatment 0.442 -0.0376 -1.18 0.458 -0.0165 -0.49 -1.182 -0.9233 3616087 ACon1_001949 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(O)C(OC)C8O)C(C)O7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B08 compound treatment 0.472 -0.00764 -0.24 0.46 -0.0145 -0.43 -0.473 -0.9625 3553383 ACon1_001950 CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)C)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B09 compound treatment 0.434 -0.0456 -1.44 0.445 -0.0295 -0.87 -1.6322 -0.9716 3554520 ACon1_001951 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B10 compound treatment 0.459 -0.0206 -0.65 0.453 -0.0215 -0.64 -0.9087 -0.9999 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B11 compound treatment 0.502 0.0224 0.7 0.493 0.0185 0.55 0.8854 0.9925 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B12 compound treatment 0.444 -0.0356 -1.12 0.453 -0.0215 -0.64 -1.2423 -0.964 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B13 mock treatment 0.448 -0.0316 -0.99 0.453 -0.0215 -0.64 -1.1533 -0.9767 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B14 mock treatment 0.457 -0.0226 -0.71 0.465 -0.00947 -0.28 -0.7018 -0.9171 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B15 compound treatment 0.458 -0.0216 -0.68 0.45 -0.0245 -0.73 -0.9938 -0.9995 1000142 ACon1_001955 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B16 compound treatment 0.455 -0.0246 -0.77 0.453 -0.0215 -0.64 -0.9977 -0.9952 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B17 compound treatment 0.419 -0.0606 -1.91 0.422 -0.0525 -1.55 -2.4476 -0.9949 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B18 compound treatment 0.451 -0.0286 -0.9 0.451 -0.0235 -0.7 -1.1285 -0.9918 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B19 compound treatment 0.439 -0.0406 -1.28 0.437 -0.0375 -1.11 -1.6887 -0.9975 3557567 ACon1_001959 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)C=C[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B20 compound treatment 0.484 0.00436 0.14 0.466 -0.00847 -0.25 -0.0805 -0.2816 3559544 ACon1_001960 C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B21 compound treatment 0.464 -0.0156 -0.49 0.457 -0.0175 -0.52 -0.7138 -0.9997 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B22 compound treatment 0.449 -0.0306 -0.96 0.443 -0.0315 -0.93 -1.3406 -0.9999 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B23 compound treatment 0.45 -0.0296 -0.93 0.446 -0.0285 -0.84 -1.2555 -0.9988 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 B24 compound treatment 0.466 -0.0136 -0.43 0.456 -0.0185 -0.55 -0.6903 -0.9927 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C01 compound treatment 0.511 0.0314 0.99 0.511 0.0365 1.08 1.4627 0.9989 3616105 ACon1_001965 COc1ccc2OC3CCN(C3C(=O)NC(Cc4ccccc4)C(=O)N/C=C\c1c2)C(=O)C(NC(=O)C(C)N(C)C)C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C02 compound treatment 0.5 0.0204 0.64 0.498 0.0235 0.7 0.9457 0.9991 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C03 compound treatment 0.495 0.0154 0.48 0.494 0.0195 0.58 0.7507 0.996 3557683 ACon1_001967 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C04 compound treatment 0.488 0.00836 0.26 0.49 0.0155 0.46 0.5113 0.9647 3616115 ACon1_001968 COc1cc(ccc1O)c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c(O)c3c(=O)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C05 compound treatment 0.493 0.0134 0.42 0.504 0.0295 0.88 0.9158 0.9435 3555406 ACon1_001969 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@]143)C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C06 compound treatment 0.462 -0.0176 -0.55 0.452 -0.0225 -0.67 -0.863 -0.9959 3616121 ACon1_001970 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C07 compound treatment 0.504 0.0244 0.77 0.508 0.0335 0.99 1.2442 0.9917 3616123 ACon1_001971 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]3([C@H](O)O[C@@]45CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H]8O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)C4CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C08 compound treatment 0.531 0.0514 1.61 0.522 0.0475 1.41 2.1378 0.9977 3616129 ACon1_001972 CCCC(O)/C(=C/C1=C(C(=O)CC(CC(=O)O)OC(=O)N)C(=O)c2cccc(O)c2C1=O)/CC(C(=O)O)[N+](C)(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C09 compound treatment 0.512 0.0324 1.02 0.49 0.0155 0.46 1.0449 0.9357 3616135 ACon1_001973 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C10 compound treatment 0.472 -0.00764 -0.24 0.465 -0.00947 -0.28 -0.3683 -0.997 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C11 mock treatment 0.467 -0.0126 -0.4 0.456 -0.0185 -0.55 -0.668 -0.9877 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C12 mock treatment 0.467 -0.0126 -0.4 0.455 -0.0195 -0.58 -0.689 -0.9835 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C13 compound treatment 0.445 -0.0346 -1.09 0.444 -0.0305 -0.9 -1.4086 -0.9957 3616143 ACon1_001975 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C14 compound treatment 0.466 -0.0136 -0.43 0.487 0.0125 0.37 -0.0407 -0.0718 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C15 mock treatment 0.461 -0.0186 -0.59 0.46 -0.0145 -0.43 -0.7176 -0.9882 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C16 mock treatment 0.464 -0.0156 -0.49 0.459 -0.0155 -0.46 -0.6719 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C17 compound treatment 0.497 0.0174 0.55 0.495 0.0205 0.61 0.8162 0.9985 3616151 ACon1_001977 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](OC(=O)C)[C@@H](O)[C@@]12COC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C18 compound treatment 0.482 0.00236 0.07 0.487 0.0125 0.37 0.315 0.8319 3557642 ACon1_001978 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@]9(C8CC(C)(C)C[C@@H]9OC(=O)C)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C19 compound treatment 0.5 0.0204 0.64 0.492 0.0175 0.52 0.82 0.9946 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C20 compound treatment 0.505 0.0254 0.8 0.487 0.0125 0.37 0.8264 0.9395 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C21 compound treatment 0.473 -0.00664 -0.21 0.488 0.0135 0.4 0.1359 0.3006 3616160 ACon1_001981 CC1OC(OC2C(O)C(O)C(C)OC2OC3C(O)C(O)C(CO)OC3OC4C(O)C(OC(OC5CCC6(C)C(CCC7(C)C6CCC89OCC%10(CCC(C)(C)CC%109)C(O)CC87C)C5(C)C)C4OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C22 compound treatment 0.475 -0.00464 -0.15 0.473 -0.00147 -0.04 -0.134 -0.8797 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C23 compound treatment 0.471 -0.00864 -0.27 0.463 -0.0115 -0.34 -0.4324 -0.9938 3616165 ACon1_001983 COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC3C4O[C@]4(CO)[C@@H]5[C@H]3C=COC5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 C24 compound treatment 0.516 0.0364 1.14 0.502 0.0275 0.82 1.3853 0.9863 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D01 compound treatment 0.472 -0.00764 -0.24 0.468 -0.00647 -0.19 -0.3054 -0.9937 3616143 ACon1_001985 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D02 compound treatment 0.553 0.0734 2.31 0.54 0.0655 1.94 3.0041 0.9963 3559089 ACon1_001986 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D03 compound treatment 0.502 0.0224 0.7 0.478 0.00353 0.1 0.5711 0.8035 3616174 ACon1_001987 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c(C(=O)c4ccc(O)cc4)c3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D04 compound treatment 0.513 0.0334 1.05 0.502 0.0275 0.82 1.3186 0.9923 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D05 compound treatment 0.461 -0.0186 -0.59 0.447 -0.0275 -0.81 -0.99 -0.987 3616180 ACon1_001989 CC1C2C(CC3C4CC(O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C7CC(O)CCC7(C)C4CCC23C)OC81OCC(C)CC8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D06 compound treatment 0.471 -0.00864 -0.27 0.464 -0.0105 -0.31 -0.4115 -0.9978 3559746 ACon1_001990 COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCO[C@H]5CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D07 compound treatment 0.474 -0.00564 -0.18 0.464 -0.0105 -0.31 -0.3448 -0.9648 3553158 ACon1_001991 C[C@H]1OC(=O)[C@@]23C(=C)[C@]4(C)OC(=O)[C@@]31O[C@]5([C@@H]4O)C(=C)[C@@]6(CC[C@]25C)C=CC(=O)OC6(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D08 compound treatment 0.445 -0.0346 -1.09 0.454 -0.0205 -0.61 -1.1991 -0.9618 3559359 ACon1_001992 O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc3ccc(O)c(O)c3)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D09 compound treatment 0.497 0.0174 0.55 0.465 -0.00947 -0.28 0.1876 0.3056 3616190 ACon1_001993 C/C=C/[C@H]1[C@@H](C=C(C)[C@H]2CC[C@H](C)C[C@H]12)C(=O)c3c(O)c(c[nH]c3=O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D10 compound treatment 0.46 -0.0196 -0.62 0.454 -0.0205 -0.61 -0.8656 -1.0 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D11 mock treatment 0.461 -0.0186 -0.59 0.464 -0.0105 -0.31 -0.6338 -0.9557 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D12 mock treatment 0.463 -0.0166 -0.52 0.464 -0.0105 -0.31 -0.5893 -0.9689 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D13 compound treatment 0.466 -0.0136 -0.43 0.459 -0.0155 -0.46 -0.6274 -0.9994 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D14 compound treatment 0.395 -0.0846 -2.66 0.392 -0.0825 -2.44 -3.6098 -0.9991 3079231 ACon1_001996 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D15 mock treatment 0.467 -0.0126 -0.4 0.454 -0.0205 -0.61 -0.7099 -0.979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D16 mock treatment 0.48 3.59E-4 0.01 0.473 -0.00147 -0.04 -0.0228 -0.5067 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D17 compound treatment 0.504 0.0244 0.77 0.467 -0.00747 -0.22 0.3851 0.483 2838 ACon1_001997 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D18 compound treatment 0.46 -0.0196 -0.62 0.454 -0.0205 -0.61 -0.8656 -1.0 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D19 compound treatment 0.504 0.0244 0.77 0.491 0.0165 0.49 0.888 0.9767 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D20 compound treatment 0.502 0.0224 0.7 0.502 0.0275 0.82 1.074 0.9973 3559588 ACon1_002000 OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C/C(=C\CC1)/C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D21 compound treatment 0.456 -0.0236 -0.74 0.451 -0.0235 -0.7 -1.0174 -0.9994 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D22 compound treatment 0.47 -0.00964 -0.3 0.465 -0.00947 -0.28 -0.4127 -0.9993 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D23 compound treatment 0.481 0.00136 0.04 0.471 -0.00347 -0.1 -0.0425 -0.3814 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 D24 compound treatment 0.497 0.0174 0.55 0.492 0.0175 0.52 0.7533 0.9997 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E01 mock treatment 0.5 0.0204 0.64 0.523 0.0485 1.44 1.4695 0.9336 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E02 mock treatment 0.464 -0.0156 -0.49 0.48 0.00553 0.16 -0.2319 -0.4473 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E03 compound treatment 0.49 0.0104 0.33 0.501 0.0265 0.79 0.7862 0.9239 3557620 ACon1_002005 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(=C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E04 compound treatment 0.458 -0.0216 -0.68 0.464 -0.0105 -0.31 -0.7005 -0.9367 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E05 compound treatment 0.483 0.00336 0.11 0.471 -0.00347 -0.1 0.002 0.0137 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E06 compound treatment 0.481 0.00136 0.04 0.458 -0.0165 -0.49 -0.3148 -0.6427 3558000 ACon1_002008 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E07 compound treatment 0.484 0.00436 0.14 0.475 5.31E-4 0.02 0.1081 0.7832 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E08 compound treatment 0.649 0.169 5.33 0.582 0.108 3.19 6.0186 0.9698 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E09 mock treatment 0.459 -0.0206 -0.65 0.477 0.00253 0.08 -0.4059 -0.6213 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E10 mock treatment 0.47 -0.00964 -0.3 0.471 -0.00347 -0.1 -0.287 -0.8967 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E11 compound treatment 0.493 0.0134 0.42 0.49 0.0155 0.46 0.6225 0.999 3616221 ACon1_002011 COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@H]43)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E12 compound treatment 0.496 0.0164 0.51 0.487 0.0125 0.37 0.6263 0.9872 3616227 ACon1_002012 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E13 compound treatment 0.48 3.59E-4 0.01 0.5 0.0255 0.76 0.5429 0.7176 3616231 ACon1_002013 C/C(=C/CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C4(C)C)/CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E14 compound treatment 0.47 -0.00964 -0.3 0.467 -0.00747 -0.22 -0.3708 -0.988 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E15 compound treatment 0.477 -0.00264 -0.08 0.47 -0.00447 -0.13 -0.1523 -0.9747 3616237 ACon1_002015 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cccc(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E16 compound treatment 0.514 0.0344 1.08 0.506 0.0315 0.93 1.4246 0.9974 3616246 ACon1_002016 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)OC91CCC(C)CN9 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E17 mock treatment 0.466 -0.0136 -0.43 0.477 0.00253 0.08 -0.2502 -0.5747 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E18 mock treatment 0.474 -0.00564 -0.18 0.459 -0.0155 -0.46 -0.4495 -0.9146 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E19 compound treatment 0.467 -0.0126 -0.4 0.464 -0.0105 -0.31 -0.5004 -0.9925 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E20 compound treatment 0.508 0.0284 0.89 0.504 0.0295 0.88 1.2493 1.0 3554291 ACon1_002018 CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E21 compound treatment 0.436 -0.0436 -1.37 0.445 -0.0295 -0.87 -1.5878 -0.9762 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E22 compound treatment 0.472 -0.00764 -0.24 0.459 -0.0155 -0.46 -0.494 -0.9546 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E23 compound treatment 0.505 0.0254 0.8 0.489 0.0145 0.43 0.8683 0.9582 3558962 ACon1_002021 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 E24 compound treatment 0.547 0.0674 2.12 0.533 0.0585 1.73 2.724 0.9951 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F01 mock treatment 0.503 0.0234 0.73 0.509 0.0345 1.02 1.2429 0.9868 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F02 mock treatment 0.49 0.0104 0.33 0.481 0.00653 0.19 0.3672 0.9691 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F03 compound treatment 0.422 -0.0576 -1.81 0.427 -0.0475 -1.41 -2.2762 -0.9921 3616267 ACon1_002023 C[C@H]1O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F04 compound treatment 0.486 0.00636 0.2 0.472 -0.00247 -0.07 0.0897 0.4211 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F05 compound treatment 0.468 -0.0116 -0.37 0.47 -0.00447 -0.13 -0.3524 -0.9055 3616273 ACon1_002025 C[C@H]1O[C@@H](OC(C)(CC/C=C(\C)/C(=O)O)C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F06 compound treatment 0.493 0.0134 0.42 0.465 -0.00947 -0.28 0.0986 0.1953 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F07 compound treatment 0.481 0.00136 0.04 0.47 -0.00447 -0.13 -0.0634 -0.4557 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F08 compound treatment 0.479 -6.41E-4 -0.02 0.479 0.00453 0.13 0.0807 0.5944 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F09 mock treatment 0.473 -0.00664 -0.21 0.472 -0.00247 -0.07 -0.1994 -0.9011 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F10 mock treatment 0.47 -0.00964 -0.3 0.479 0.00453 0.13 -0.1194 -0.3602 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F11 compound treatment 0.476 -0.00364 -0.11 0.48 0.00553 0.16 0.0349 0.1748 3559302 ACon1_002029 CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C7CC(=C(C)C(=O)O7)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F12 compound treatment 0.483 0.00336 0.11 0.477 0.00253 0.08 0.1277 0.9859 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F13 compound treatment 0.478 -0.00164 -0.05 0.462 -0.0125 -0.37 -0.2977 -0.7981 3559459 ACon1_002031 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F14 compound treatment 0.488 0.00836 0.26 0.474 -4.69E-4 -0.01 0.176 0.6688 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F15 compound treatment 0.505 0.0254 0.8 0.509 0.0345 1.02 1.2874 0.9924 3553373 ACon1_002033 CC(=O)OC[C@@]12CCC(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F16 compound treatment 0.478 -0.00164 -0.05 0.486 0.0115 0.34 0.2051 0.5936 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F17 mock treatment 0.474 -0.00564 -0.18 0.468 -0.00647 -0.19 -0.261 -0.9992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F18 mock treatment 0.481 0.00136 0.04 0.476 0.00153 0.05 0.0623 0.9996 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F19 compound treatment 0.491 0.0114 0.36 0.485 0.0105 0.31 0.4732 0.9977 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F20 compound treatment 0.489 0.00936 0.29 0.491 0.0165 0.49 0.5545 0.9703 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F21 compound treatment 0.472 -0.00764 -0.24 0.461 -0.0135 -0.4 -0.4521 -0.9705 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F22 compound treatment 0.494 0.0144 0.45 0.462 -0.0125 -0.37 0.058 0.0994 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F23 compound treatment 0.479 -6.41E-4 -0.02 0.453 -0.0215 -0.64 -0.4641 -0.7291 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 F24 compound treatment 0.494 0.0144 0.45 0.488 0.0135 0.4 0.6028 0.9982 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G01 compound treatment 0.513 0.0334 1.05 0.52 0.0455 1.35 1.6957 0.9923 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G02 compound treatment 0.476 -0.00364 -0.11 0.468 -0.00647 -0.19 -0.2165 -0.9696 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G03 mock treatment 0.465 -0.0146 -0.46 0.46 -0.0145 -0.43 -0.6287 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G04 mock treatment 0.463 -0.0166 -0.52 0.461 -0.0135 -0.4 -0.6522 -0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G05 compound treatment 0.491 0.0114 0.36 0.491 0.0165 0.49 0.5989 0.988 3557720 ACon1_002043 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(oc2c1)c6ccc(O)c(O)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G06 compound treatment 0.481 0.00136 0.04 0.471 -0.00347 -0.1 -0.0425 -0.3814 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G07 compound treatment 0.469 -0.0106 -0.33 0.487 0.0125 0.37 0.026 0.052 3616301 ACon1_002045 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)/C=C/c4ccccc4)c(O)c3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G08 compound treatment 0.465 -0.0146 -0.46 0.47 -0.00447 -0.13 -0.4192 -0.875 3616305 ACon1_002046 CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G09 compound treatment 0.48 3.59E-4 0.01 0.466 -0.00847 -0.25 -0.1695 -0.6746 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G10 compound treatment 0.512 0.0324 1.02 0.503 0.0285 0.85 1.3173 0.9958 3616309 ACon1_002048 CC1OC(OC2C(O)C(O)C(OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(C)C(OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)OC2CO)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G11 compound treatment 0.481 0.00136 0.04 0.477 0.00253 0.08 0.0833 0.9645 3558718 ACon1_002049 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G12 compound treatment 0.479 -6.41E-4 -0.02 0.475 5.31E-4 0.02 -0.0031 -0.1217 3616313 ACon1_002050 CC1OC(OC2C(O)C(O)C(COC3OCC(O)C(O)C3O)OC2OC(=O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(CO)C(OC%10OC(C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(=O)O)C(O)C9O)C(C)(CO)C8CCC7(C)C6(C)CC4)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G13 compound treatment 0.489 0.00936 0.29 0.501 0.0265 0.79 0.764 0.9101 3616315 ACon1_002051 C[C@@H]1C[C@@H](OC(=O)C)C2[C@]3(C)CCC[C@]2(COC3=O)[C@@]1(O)CCc4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G14 compound treatment 0.497 0.0174 0.55 0.481 0.00653 0.19 0.5228 0.9028 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G15 compound treatment 0.488 0.00836 0.26 0.476 0.00153 0.05 0.2179 0.8171 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G16 compound treatment 0.485 0.00536 0.17 0.483 0.00853 0.25 0.2979 0.9806 3616324 ACon1_002054 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)OC81CCC(C)CN8 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G17 compound treatment 0.48 3.59E-4 0.01 0.481 0.00653 0.19 0.1448 0.7471 3616327 ACon1_002055 COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(c2)c3cc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc(OC)c3O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G18 compound treatment 0.517 0.0374 1.17 0.518 0.0435 1.29 1.7427 0.9989 3553093 ACon1_002056 C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]25[C@@H](/C=C/C[C@H](C)\C=C(/C)\[C@@H](O)C(=O)\C=C\C5=O)[C@@H]6O[C@@]61C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G19 mock treatment 0.489 0.00936 0.29 0.474 -4.69E-4 -0.01 0.1983 0.673 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G20 mock treatment 0.448 -0.0316 -0.99 0.452 -0.0225 -0.67 -1.1743 -0.9809 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G21 compound treatment 0.481 0.00136 0.04 0.48 0.00553 0.16 0.1461 0.8627 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G22 compound treatment 0.46 -0.0196 -0.62 0.462 -0.0125 -0.37 -0.6979 -0.9698 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G23 compound treatment 0.48 3.59E-4 0.01 0.482 0.00753 0.22 0.1658 0.742 3616337 ACon1_002059 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCC(O)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 G24 compound treatment 0.528 0.0484 1.52 0.507 0.0325 0.96 1.7568 0.9758 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H01 compound treatment 0.515 0.0354 1.11 0.501 0.0265 0.79 1.3421 0.9856 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H02 compound treatment 0.55 0.0704 2.21 0.571 0.0965 2.86 3.587 0.9919 3559239 ACon1_002062 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H]1OC(=O)c4cc(O)c(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H03 mock treatment 0.482 0.00236 0.07 0.477 0.00253 0.08 0.1055 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H04 mock treatment 0.503 0.0234 0.73 0.478 0.00353 0.1 0.5934 0.7998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H05 compound treatment 0.459 -0.0206 -0.65 0.457 -0.0175 -0.52 -0.8249 -0.9937 3616347 ACon1_002063 CC(CC/C=C(\C)/C(=O)O)C1CC(O)C2(C)C3CCC4C5(CC35CC(O)C12C)CCC(OC6OCC(O)C(O)C6O)C4(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H06 compound treatment 0.479 -6.41E-4 -0.02 0.497 0.0225 0.67 0.4578 0.6855 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H07 compound treatment 0.509 0.0294 0.92 0.533 0.0585 1.73 1.8792 0.9564 3616351 ACon1_002065 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3O)O[C@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]%10OC[C@](O)(CO)[C@H]%10O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H08 compound treatment 0.518 0.0384 1.21 0.491 0.0165 0.49 1.1993 0.9212 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H09 compound treatment 0.446 -0.0336 -1.06 0.443 -0.0315 -0.93 -1.4073 -0.998 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H10 compound treatment 0.473 -0.00664 -0.21 0.467 -0.00747 -0.22 -0.3041 -0.9996 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H11 compound treatment 0.491 0.0114 0.36 0.479 0.00453 0.13 0.3475 0.9107 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H12 compound treatment 0.473 -0.00664 -0.21 0.486 0.0115 0.34 0.094 0.2347 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H13 compound treatment 0.531 0.0514 1.61 0.537 0.0625 1.85 2.4521 0.9977 3187885 ACon1_002071 CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H14 compound treatment 0.466 -0.0136 -0.43 0.474 -4.69E-4 -0.01 -0.3131 -0.7296 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H15 compound treatment 0.483 0.00336 0.11 0.477 0.00253 0.08 0.1277 0.9859 3616359 ACon1_002073 CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@@H]6[C@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C)cc78 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H16 compound treatment 0.482 0.00236 0.07 0.468 -0.00647 -0.19 -0.0831 -0.4042 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H17 compound treatment 0.467 -0.0126 -0.4 0.476 0.00153 0.05 -0.249 -0.6223 3557456 ACon1_002075 C[C@H](CCC(=O)O)[C@H]1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C=C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H18 compound treatment 0.485 0.00536 0.17 0.464 -0.0105 -0.31 -0.1002 -0.2838 3559549 ACon1_002076 C/C=C(/CO)\C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H19 mock treatment 0.466 -0.0136 -0.43 0.463 -0.0115 -0.34 -0.5436 -0.9934 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H20 mock treatment 0.48 3.59E-4 0.01 0.477 0.00253 0.08 0.061 0.8046 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H21 compound treatment 0.457 -0.0226 -0.71 0.478 0.00353 0.1 -0.4294 -0.5968 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H22 compound treatment 0.486 0.00636 0.2 0.477 0.00253 0.08 0.1944 0.9104 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H23 compound treatment 0.473 -0.00664 -0.21 0.447 -0.0275 -0.81 -0.7232 -0.8606 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 H24 compound treatment 0.544 0.0644 2.02 0.519 0.0445 1.32 2.364 0.9785 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I01 compound treatment 0.52 0.0404 1.27 0.506 0.0315 0.93 1.558 0.9887 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I02 compound treatment 0.501 0.0214 0.67 0.496 0.0215 0.64 0.926 0.9997 3616368 ACon1_002082 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I03 compound treatment 0.465 -0.0146 -0.46 0.453 -0.0215 -0.64 -0.7753 -0.9874 3558097 ACon1_002083 COc1cc(C[C@@H]2[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)COC2=O)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I04 compound treatment 0.493 0.0134 0.42 0.473 -0.00147 -0.04 0.2663 0.6305 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I05 mock treatment 0.471 -0.00864 -0.27 0.465 -0.00947 -0.28 -0.3905 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I06 mock treatment 0.456 -0.0236 -0.74 0.449 -0.0255 -0.75 -1.0593 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I07 compound treatment 0.497 0.0174 0.55 0.494 0.0195 0.58 0.7952 0.9996 3616375 ACon1_002085 CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)C1CC(O)C3[C@@]2(C)CCC4C(C)(C)[C@@H](O)C[C@@H](O)[C@@]43C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I08 compound treatment 0.528 0.0484 1.52 0.51 0.0355 1.05 1.8197 0.9839 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I09 compound treatment 0.495 0.0154 0.48 0.485 0.0105 0.31 0.5622 0.9777 3558841 ACon1_002087 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I10 compound treatment 0.505 0.0254 0.8 0.507 0.0325 0.96 1.2455 0.9956 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I11 compound treatment 0.469 -0.0106 -0.33 0.475 5.31E-4 0.02 -0.2255 -0.6731 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I12 compound treatment 0.48 3.59E-4 0.01 0.476 0.00153 0.05 0.0401 0.857 3616386 ACon1_002090 CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I13 compound treatment 0.506 0.0264 0.83 0.502 0.0275 0.82 1.1629 1.0 3616388 ACon1_002091 CC(=C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I14 compound treatment 0.472 -0.00764 -0.24 0.465 -0.00947 -0.28 -0.3683 -0.997 3558106 ACon1_002092 OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I15 compound treatment 0.473 -0.00664 -0.21 0.467 -0.00747 -0.22 -0.3041 -0.9996 3616390 ACon1_002093 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cc(O)cc(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I16 compound treatment 0.469 -0.0106 -0.33 0.463 -0.0115 -0.34 -0.4769 -1.0 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I17 compound treatment 0.497 0.0174 0.55 0.465 -0.00947 -0.28 0.1876 0.3056 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I18 compound treatment 0.509 0.0294 0.92 0.468 -0.00647 -0.19 0.5172 0.5486 3553773 ACon1_002096 CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(O)[C@](NC2=O)(OC)C(=O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I19 compound treatment 0.477 -0.00264 -0.08 0.471 -0.00347 -0.1 -0.1314 -0.9944 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I20 compound treatment 0.479 -6.41E-4 -0.02 0.424 -0.0505 -1.5 -1.0717 -0.7166 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I21 mock treatment 0.473 -0.00664 -0.21 0.468 -0.00647 -0.19 -0.2832 -0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I22 mock treatment 0.466 -0.0136 -0.43 0.458 -0.0165 -0.49 -0.6483 -0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I23 compound treatment 0.484 0.00436 0.14 0.468 -0.00647 -0.19 -0.0386 -0.1639 3616393 ACon1_002099 C/C=C\1/C(CC(=O)OCCc2ccc(O)c(O)c2)C(=COC1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 I24 compound treatment 0.49 0.0104 0.33 0.48 0.00553 0.16 0.3462 0.9495 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J01 compound treatment 0.502 0.0224 0.7 0.492 0.0175 0.52 0.8645 0.9889 3616395 ACon1_002101 Oc1ccc(cc1)[C@H]2[C@@H]([C@@H]3[C@H](c4ccc(O)cc4)c5c(O)cc(O)cc5OC3=O)C(=O)Oc6cc(O)cc(O)c26 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J02 compound treatment 0.503 0.0234 0.73 0.493 0.0185 0.55 0.9076 0.9897 3559240 ACon1_002102 O[C@H]1[C@H]2[C@H](CC(=O)O)C(=O)O[C@@H]3C(COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(OC1=O)c26)[C@@H]3OC(=O)c7cc(O)c(O)c(O)c7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J03 compound treatment 0.474 -0.00564 -0.18 0.467 -0.00747 -0.22 -0.2819 -0.994 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J04 compound treatment 0.483 0.00336 0.11 0.476 0.00153 0.05 0.1068 0.9288 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J05 mock treatment 0.477 -0.00264 -0.08 0.465 -0.00947 -0.28 -0.2571 -0.8787 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J06 mock treatment 0.463 -0.0166 -0.52 0.472 -0.00247 -0.07 -0.4217 -0.7982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J07 compound treatment 0.49 0.0104 0.33 0.47 -0.00447 -0.13 0.1367 0.3888 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J08 compound treatment 0.504 0.0244 0.77 0.468 -0.00647 -0.19 0.4061 0.5143 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J09 compound treatment 0.493 0.0134 0.42 0.488 0.0135 0.4 0.5805 0.9997 3555011 ACon1_002107 COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J10 compound treatment 0.544 0.0644 2.02 0.479 0.00453 0.13 1.5259 0.7524 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J11 compound treatment 0.489 0.00936 0.29 0.471 -0.00347 -0.1 0.1354 0.4344 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J12 compound treatment 0.489 0.00936 0.29 0.476 0.00153 0.05 0.2402 0.8066 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J13 compound treatment 0.483 0.00336 0.11 0.49 0.0155 0.46 0.4001 0.8474 3553079 ACon1_002111 C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)/C(=C/CO)/COC(=O)/C(=C/CO)/C)C3[C@@H]2OC(=O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J14 compound treatment 0.476 -0.00364 -0.11 0.471 -0.00347 -0.1 -0.1536 -0.9986 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J15 compound treatment 0.516 0.0364 1.14 0.51 0.0355 1.05 1.5529 0.9992 3558672 ACon1_002113 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CC[C@H]12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J16 compound treatment 0.48 3.59E-4 0.01 0.458 -0.0165 -0.49 -0.3371 -0.6905 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J17 compound treatment 0.522 0.0424 1.33 0.507 0.0325 0.96 1.6234 0.9874 3141 ACon1_002115 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J18 compound treatment 0.518 0.0384 1.21 0.478 0.00353 0.1 0.9269 0.7656 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J19 compound treatment 0.512 0.0324 1.02 0.492 0.0175 0.52 1.0868 0.9513 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J20 compound treatment 0.497 0.0174 0.55 0.691 0.217 6.42 4.9229 0.7645 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J21 mock treatment 0.476 -0.00364 -0.11 0.473 -0.00147 -0.04 -0.1117 -0.9122 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J22 mock treatment 0.501 0.0214 0.67 0.48 0.00553 0.16 0.5908 0.8546 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J23 compound treatment 0.48 3.59E-4 0.01 0.473 -0.00147 -0.04 -0.0228 -0.5067 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 J24 compound treatment 0.503 0.0234 0.73 0.507 0.0325 0.96 1.201 0.991 3559578 ACon1_002120 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C)\COC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K01 compound treatment 0.524 0.0444 1.39 0.521 0.0465 1.38 1.9612 1.0 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K02 compound treatment 0.523 0.0434 1.36 0.505 0.0305 0.9 1.6038 0.9802 3557326 ACon1_002122 CC[C@H](C)[C@H]1NC(=O)[C@@H]2C[C@@]3([C@@H](Nc4ccccc43)N2C1=O)C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K03 compound treatment 0.505 0.0254 0.8 0.492 0.0175 0.52 0.9312 0.9784 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K04 compound treatment 0.522 0.0424 1.33 0.498 0.0235 0.7 1.4349 0.9544 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K05 compound treatment 0.469 -0.0106 -0.33 0.477 0.00253 0.08 -0.1835 -0.5353 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K06 compound treatment 0.646 0.166 5.23 0.631 0.157 4.64 6.9786 0.9982 3616399 ACon1_002126 COc1c(C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K07 mock treatment 0.485 0.00536 0.17 0.47 -0.00447 -0.13 0.0255 0.1191 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K08 mock treatment 0.491 0.0114 0.36 0.467 -0.00747 -0.22 0.0961 0.2286 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K09 compound treatment 0.485 0.00536 0.17 0.48 0.00553 0.16 0.2351 0.9999 3616400 ACon1_002127 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K10 compound treatment 0.458 -0.0216 -0.68 0.466 -0.00847 -0.25 -0.6586 -0.9081 3616402 ACon1_002128 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K11 compound treatment 0.486 0.00636 0.2 0.478 0.00353 0.1 0.2154 0.9544 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K12 compound treatment 0.489 0.00936 0.29 0.489 0.0145 0.43 0.5126 0.9828 3616405 ACon1_002130 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K13 compound treatment 0.501 0.0214 0.67 0.503 0.0285 0.85 1.0727 0.9935 3616407 ACon1_002131 C[C@@H]1[C@@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K14 compound treatment 0.492 0.0124 0.39 0.485 0.0105 0.31 0.4955 0.9941 3616409 ACon1_002132 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K15 mock treatment 0.494 0.0144 0.45 0.488 0.0135 0.4 0.6028 0.9982 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K16 mock treatment 0.495 0.0154 0.48 0.477 0.00253 0.08 0.3945 0.8072 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K17 compound treatment 0.527 0.0474 1.49 0.507 0.0325 0.96 1.7346 0.9778 3616411 ACon1_002133 CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@@H]21)C(=C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K18 compound treatment 0.569 0.0894 2.81 0.499 0.0245 0.73 2.5008 0.8617 3616413 ACon1_002134 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K19 compound treatment 0.485 0.00536 0.17 0.463 -0.0115 -0.34 -0.1211 -0.3194 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K20 compound treatment 0.481 0.00136 0.04 0.462 -0.0125 -0.37 -0.231 -0.6212 3557979 ACon1_002136 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CC(O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K21 compound treatment 0.492 0.0124 0.39 0.472 -0.00247 -0.07 0.2231 0.5641 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K22 compound treatment 0.482 0.00236 0.07 0.473 -0.00147 -0.04 0.0217 0.2521 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K23 mock treatment 0.49 0.0104 0.33 0.464 -0.0105 -0.31 0.011 0.0244 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 K24 mock treatment 0.506 0.0264 0.83 0.489 0.0145 0.43 0.8905 0.9535 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L01 compound treatment 0.501 0.0214 0.67 0.514 0.0395 1.17 1.3032 0.9651 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L02 compound treatment 0.502 0.0224 0.7 0.499 0.0245 0.73 1.0111 0.9999 3557877 ACon1_002140 OC[C@H]1O[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L03 compound treatment 0.514 0.0344 1.08 0.51 0.0355 1.05 1.5084 0.9999 3616416 ACon1_002141 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L04 compound treatment 0.468 -0.0116 -0.37 0.466 -0.00847 -0.25 -0.4363 -0.983 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L05 compound treatment 0.51 0.0304 0.95 0.497 0.0225 0.67 1.1471 0.9847 3616418 ACon1_002143 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](OC(=O)C)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L06 compound treatment 0.543 0.0634 1.99 0.544 0.0695 2.06 2.8656 0.9999 3552811 ACon1_002144 C[C@@H]1OC(CC[C@@H]1O)O[C@@]23C(=O)C[C@](C)(O)C[C@@]3(O)C=CC4=C2C(=O)c5ccc([C@H]6C[C@@H](O[C@H]7CC[C@H](O[C@H]8C[C@@H](O)[C@H](O)[C@@H](C)O8)[C@H](C)O7)[C@H](O)[C@@H](C)O6)c(O)c5C4=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L07 mock treatment 0.487 0.00736 0.23 0.482 0.00753 0.22 0.3214 0.9998 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L08 mock treatment 0.472 -0.00764 -0.24 0.462 -0.0125 -0.37 -0.4311 -0.9783 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L09 compound treatment 0.523 0.0434 1.36 0.52 0.0455 1.35 1.9181 1.0 3558762 ACon1_002145 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L10 compound treatment 0.482 0.00236 0.07 0.475 5.31E-4 0.02 0.0636 0.8385 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L11 compound treatment 0.524 0.0444 1.39 0.519 0.0445 1.32 1.9193 0.9996 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L12 compound treatment 0.493 0.0134 0.42 0.488 0.0135 0.4 0.5805 0.9997 3554563 ACon1_002148 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43CO)OC(=O)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L13 compound treatment 0.527 0.0474 1.49 0.522 0.0475 1.41 2.0489 0.9996 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L14 compound treatment 0.486 0.00636 0.2 0.47 -0.00447 -0.13 0.0478 0.1991 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L15 mock treatment 0.492 0.0124 0.39 0.485 0.0105 0.31 0.4955 0.9941 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L16 mock treatment 0.496 0.0164 0.51 0.483 0.00853 0.25 0.5425 0.9465 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L17 compound treatment 0.488 0.00836 0.26 0.471 -0.00347 -0.1 0.1132 0.401 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L18 compound treatment 0.495 0.0154 0.48 0.486 0.0115 0.34 0.5831 0.9856 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L19 compound treatment 0.523 0.0434 1.36 0.525 0.0505 1.5 2.0228 0.9989 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L20 compound treatment 0.466 -0.0136 -0.43 0.455 -0.0195 -0.58 -0.7112 -0.9893 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L21 compound treatment 0.478 -0.00164 -0.05 0.475 5.31E-4 0.02 -0.0253 -0.4699 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L22 compound treatment 0.473 -0.00664 -0.21 0.454 -0.0205 -0.61 -0.5765 -0.8988 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L23 mock treatment 0.465 -0.0146 -0.46 0.467 -0.00747 -0.22 -0.482 -0.9437 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 L24 mock treatment 0.505 0.0254 0.8 0.499 0.0245 0.73 1.0778 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M01 compound treatment 0.525 0.0454 1.43 0.516 0.0415 1.23 1.8787 0.9973 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M02 compound treatment 0.527 0.0474 1.49 0.52 0.0455 1.35 2.007 0.9988 3616422 ACon1_002158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M03 compound treatment 0.507 0.0274 0.86 0.506 0.0315 0.93 1.269 0.9991 3557282 ACon1_002159 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc4c3=O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M04 compound treatment 0.52 0.0404 1.27 0.509 0.0345 1.02 1.6209 0.9943 3553312 ACon1_002160 CC(=O)NC1CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC1=O)NC(=O)C)NC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M05 compound treatment 0.528 0.0484 1.52 0.531 0.0565 1.68 2.2597 0.9988 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M06 compound treatment 0.478 -0.00164 -0.05 0.477 0.00253 0.08 0.0166 0.1819 3616424 ACon1_002162 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M07 compound treatment 0.491 0.0114 0.36 0.471 -0.00347 -0.1 0.1799 0.484 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M08 compound treatment 0.512 0.0324 1.02 0.506 0.0315 0.93 1.3801 0.9991 3616427 ACon1_002164 CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M09 mock treatment 0.49 0.0104 0.33 0.495 0.0205 0.61 0.6605 0.9571 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M10 mock treatment 0.474 -0.00564 -0.18 0.467 -0.00747 -0.22 -0.2819 -0.994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M11 compound treatment 0.51 0.0304 0.95 0.495 0.0205 0.61 1.1052 0.9763 3616429 ACon1_002165 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M12 compound treatment 0.782 0.302 9.51 0.748 0.274 8.11 12.4538 0.9968 3616431 ACon1_002166 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M13 mock treatment 0.481 0.00136 0.04 0.475 5.31E-4 0.02 0.0414 0.9079 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M14 mock treatment 0.479 -6.41E-4 -0.02 0.475 5.31E-4 0.02 -0.0031 -0.1217 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M15 compound treatment 0.495 0.0154 0.48 0.489 0.0145 0.43 0.646 0.9984 3616433 ACon1_002167 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C(O)CC7(C(O)CC65C)C(=O)O)C3(C)C)OC2CO)C(O)C(OC8OCC(O)C(O)C8O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M16 compound treatment 0.503 0.0234 0.73 0.479 0.00453 0.13 0.6143 0.8227 3616434 ACon1_002168 CC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(/C=C\NC(=O)[C@H](Cc4ccccc4)NC(=O)C21)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M17 compound treatment 0.519 0.0394 1.24 0.493 0.0185 0.55 1.2634 0.9331 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M18 compound treatment 0.502 0.0224 0.7 0.49 0.0155 0.46 0.8226 0.9789 3554069 ACon1_002170 CC1CCC2C(C)(C)C(=O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M19 compound treatment 0.509 0.0294 0.92 0.495 0.0205 0.61 1.083 0.9795 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M20 compound treatment 0.479 -6.41E-4 -0.02 0.472 -0.00247 -0.07 -0.066 -0.8695 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M21 compound treatment 0.51 0.0304 0.95 0.506 0.0315 0.93 1.3357 0.9999 3616438 ACon1_002173 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc3ccc(O)cc3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M22 compound treatment 0.508 0.0284 0.89 0.503 0.0285 0.85 1.2283 0.9996 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M23 compound treatment 0.5 0.0204 0.64 0.499 0.0245 0.73 0.9667 0.998 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 M24 compound treatment 0.503 0.0234 0.73 0.493 0.0185 0.55 0.9076 0.9897 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N01 compound treatment 0.521 0.0414 1.3 0.524 0.0495 1.47 1.9574 0.9982 3616441 ACon1_002177 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N02 compound treatment 0.575 0.0954 3.0 0.565 0.0905 2.68 4.0171 0.9985 3557494 ACon1_002178 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N03 compound treatment 0.521 0.0414 1.3 0.51 0.0355 1.05 1.6641 0.9945 3616443 ACon1_002179 C[C@@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@H](OC(=O)C(=C)CO)[C@@H]3[C@@H]2OC(=O)C3=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N04 compound treatment 0.487 0.00736 0.23 0.468 -0.00647 -0.19 0.0281 0.0935 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N05 compound treatment 0.51 0.0304 0.95 0.512 0.0375 1.11 1.4614 0.9971 3616445 ACon1_002181 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N06 compound treatment 0.481 0.00136 0.04 0.462 -0.0125 -0.37 -0.231 -0.6212 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N07 compound treatment 0.486 0.00636 0.2 0.477 0.00253 0.08 0.1944 0.9104 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N08 compound treatment 0.465 -0.0146 -0.46 0.47 -0.00447 -0.13 -0.4192 -0.875 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N09 mock treatment 0.464 -0.0156 -0.49 0.459 -0.0155 -0.46 -0.6719 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N10 mock treatment 0.486 0.00636 0.2 0.468 -0.00647 -0.19 0.0059 0.0211 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N11 compound treatment 0.487 0.00736 0.23 0.461 -0.0135 -0.4 -0.1186 -0.257 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N12 compound treatment 0.436 -0.0436 -1.37 0.456 -0.0185 -0.55 -1.3573 -0.9187 3558517 ACon1_002186 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N13 mock treatment 0.488 0.00836 0.26 0.479 0.00453 0.13 0.2808 0.9514 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N14 mock treatment 0.481 0.00136 0.04 0.474 -4.69E-4 -0.01 0.0204 0.454 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N15 compound treatment 0.485 0.00536 0.17 0.491 0.0165 0.49 0.4655 0.8987 3557442 ACon1_002187 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N16 compound treatment 0.49 0.0104 0.33 0.469 -0.00547 -0.16 0.1157 0.3181 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N17 compound treatment 0.484 0.00436 0.14 0.474 -4.69E-4 -0.01 0.0871 0.6322 3557445 ACon1_002189 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N18 compound treatment 0.499 0.0194 0.61 0.48 0.00553 0.16 0.5463 0.8666 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N19 compound treatment 0.511 0.0314 0.99 0.488 0.0135 0.4 0.9808 0.9214 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N20 compound treatment 0.507 0.0274 0.86 0.488 0.0135 0.4 0.8918 0.9396 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N21 compound treatment 0.485 0.00536 0.17 0.461 -0.0135 -0.4 -0.163 -0.3764 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N22 compound treatment 0.479 -6.41E-4 -0.02 0.466 -0.00847 -0.25 -0.1917 -0.7614 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N23 compound treatment 0.487 0.00736 0.23 0.476 0.00153 0.05 0.1957 0.83 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 N24 compound treatment 0.536 0.0564 1.77 0.51 0.0355 1.05 1.9976 0.9691 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O01 compound treatment 0.531 0.0514 1.61 0.52 0.0455 1.35 2.0959 0.996 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O02 compound treatment 0.489 0.00936 0.29 0.487 0.0125 0.37 0.4707 0.9934 3616449 ACon1_002198 CC1C(O)C=C2[C@@H](CC[C@@]3(O)[C@](C)([C@H](O)CC[C@]23C)C(=O)O)[C@H]1C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O03 compound treatment 0.518 0.0384 1.21 0.516 0.0415 1.23 1.7231 0.9999 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O04 compound treatment 0.481 0.00136 0.04 0.477 0.00253 0.08 0.0833 0.9645 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O05 compound treatment 0.532 0.0524 1.65 0.523 0.0485 1.44 2.181 0.9977 3616452 ACon1_002201 CCC/C=C/C(=O)OC1C(O)C2(C(O)OC34CCC5C6(C)CCC(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C7OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(C)(C)C6CCC5(C)C4(C)CC2OC(=O)C)C3CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O06 compound treatment 0.516 0.0364 1.14 0.499 0.0245 0.73 1.3224 0.9761 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O07 compound treatment 0.489 0.00936 0.29 0.479 0.00453 0.13 0.303 0.9368 3616454 ACon1_002203 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O08 compound treatment 0.438 -0.0416 -1.31 0.444 -0.0305 -0.9 -1.5642 -0.9835 3616455 ACon1_002204 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C5C4C=CC(=O)C5(O)C(=O)OCc6cccc(O)c6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O09 compound treatment 0.532 0.0524 1.65 0.515 0.0405 1.2 2.0134 0.988 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O10 compound treatment 0.51 0.0304 0.95 0.484 0.00953 0.28 0.8747 0.8787 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O11 mock treatment 0.522 0.0424 1.33 0.5 0.0255 0.76 1.4768 0.9641 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O12 mock treatment 0.514 0.0344 1.08 0.494 0.0195 0.58 1.1732 0.9572 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O13 compound treatment 0.509 0.0294 0.92 0.499 0.0245 0.73 1.1668 0.993 3616460 ACon1_002207 C[C@H](CO)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)/CC/C=C(\C)/CC[C@H](O)\C(=C\C[C@H]12)\C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O14 compound treatment 0.557 0.0774 2.43 0.529 0.0545 1.62 2.8626 0.9803 3616463 ACon1_002208 OC[C@H]1O[C@@H](OC2OC=C3C(CC4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O15 compound treatment 0.547 0.0674 2.12 0.545 0.0705 2.09 2.9755 1.0 3616464 ACon1_002209 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C8CC7(C(O)CC65C)C(=O)O8)C3(C)C)OC2CO)C(O)C(OC9OCC(O)C(O)C9O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O16 compound treatment 0.518 0.0384 1.21 0.496 0.0215 0.64 1.304 0.9557 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O17 compound treatment 0.51 0.0304 0.95 0.494 0.0195 0.58 1.0842 0.9712 3616466 ACon1_002211 CCC(C)C(O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O18 compound treatment 0.585 0.105 3.31 0.584 0.11 3.25 4.6375 0.9999 3616469 ACon1_002212 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O19 compound treatment 0.506 0.0264 0.83 0.51 0.0355 1.05 1.3305 0.993 3616471 ACon1_002213 CC(C)CC1NC(=O)C2(O)C1C(C)C(=CC2/C=C(\C)/CCC(O)C(O)/C=C/C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O20 compound treatment 0.515 0.0354 1.11 0.508 0.0335 0.99 1.4887 0.9984 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O21 compound treatment 0.505 0.0254 0.8 0.494 0.0195 0.58 0.9731 0.9876 3616474 ACon1_002215 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(OC3OCC(O)C(O)C3O)[C@@]4(C)C5CC[C@@H]6[C@]7(C[C@@]57CC(O)[C@]24C)CC[C@H](O[C@@H]8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C6(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O22 compound treatment 0.537 0.0574 1.8 0.527 0.0525 1.56 2.376 0.9973 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O23 compound treatment 0.542 0.0624 1.96 0.538 0.0635 1.88 2.7176 0.9998 3616477 ACon1_002217 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)c(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2C)C1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 O24 compound treatment 0.52 0.0404 1.27 0.524 0.0495 1.47 1.9352 0.9974 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P01 compound treatment 0.532 0.0524 1.65 0.529 0.0545 1.62 2.3067 1.0 3616479 ACon1_002219 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCc4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P02 compound treatment 0.519 0.0394 1.24 0.508 0.0335 0.99 1.5777 0.9941 3559761 ACon1_002220 CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P03 compound treatment 0.554 0.0744 2.34 0.561 0.0865 2.56 3.4664 0.9989 3616481 ACon1_002221 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]31 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P04 compound treatment 0.542 0.0624 1.96 0.527 0.0525 1.56 2.4872 0.9935 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P05 compound treatment 0.534 0.0544 1.71 0.521 0.0465 1.38 2.1836 0.9943 3558885 ACon1_002223 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]3N[C@@H](Cc4c3[nH]c5ccccc45)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P06 compound treatment 0.526 0.0464 1.46 0.529 0.0545 1.62 2.1733 0.9987 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P07 compound treatment 0.505 0.0254 0.8 0.504 0.0295 0.88 1.1826 0.9989 3558887 ACon1_002225 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P08 compound treatment 0.524 0.0444 1.39 0.508 0.0335 0.99 1.6889 0.9862 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P09 compound treatment 0.441 -0.0386 -1.21 0.443 -0.0315 -0.93 -1.5185 -0.9915 3559894 ACon1_002227 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@]43C)C12)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P10 compound treatment 0.54 0.0604 1.9 0.513 0.0385 1.14 2.1494 0.9704 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P11 mock treatment 0.525 0.0454 1.43 0.505 0.0305 0.9 1.6482 0.9759 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P12 mock treatment 0.515 0.0354 1.11 0.519 0.0445 1.32 1.7192 0.9964 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P13 compound treatment 0.482 0.00236 0.07 0.481 0.00653 0.19 0.1893 0.9134 3552932 ACon1_002229 C[C@H](CCCC(C)(C(=O)O)C(=O)O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P14 compound treatment 0.54 0.0604 1.9 0.534 0.0595 1.76 2.5894 0.9993 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P15 compound treatment 0.563 0.0834 2.62 0.532 0.0575 1.7 3.0588 0.9783 346 ACon1_002231 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P16 compound treatment 0.538 0.0584 1.84 0.525 0.0505 1.5 2.3563 0.9949 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P17 compound treatment 0.536 0.0564 1.77 0.515 0.0405 1.2 2.1023 0.982 3557610 ACon1_002233 O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccc(O)cc2)[C@H](Oc3ccc(O)cc3)O[C@@H]1COC(=O)CC(=O)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P18 compound treatment 0.569 0.0894 2.81 0.543 0.0685 2.03 3.4227 0.9873 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P19 compound treatment 0.504 0.0244 0.77 0.496 0.0215 0.64 0.9927 0.9959 3554682 ACon1_002235 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@@H]64)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P20 compound treatment 0.547 0.0674 2.12 0.533 0.0585 1.73 2.724 0.9951 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P21 compound treatment 0.515 0.0354 1.11 0.514 0.0395 1.17 1.6145 0.9997 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P22 compound treatment 0.51 0.0304 0.95 0.514 0.0395 1.17 1.5033 0.9948 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P23 compound treatment 0.509 0.0294 0.92 0.502 0.0275 0.82 1.2296 0.9981 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2296 P24 compound treatment 0.56 0.0804 2.53 0.573 0.0985 2.92 3.8512 0.9974 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A01 compound treatment 0.527 0.049 1.54 0.447 0.0511 1.52 2.1609 1.0 3552712 ACon1_002241 C[C@@H]1CCC/C=C/[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A02 compound treatment 0.499 0.021 0.66 0.436 0.0401 1.19 1.3079 0.9614 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A03 compound treatment 0.463 -0.015 -0.47 0.418 0.0221 0.66 0.1303 0.1613 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A04 compound treatment 0.503 0.025 0.79 0.445 0.0491 1.46 1.5854 0.9581 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A05 compound treatment 0.492 0.014 0.44 0.431 0.0351 1.04 1.0475 0.9266 3554875 ACon1_002245 COc1cc(ccc1O)[C@H]2[C@H]3COC4(O)[C@H]3C(=CC2C4=O)[C@H]5Oc6cc(O)cc(O)c6C(=O)[C@@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A06 compound treatment 0.518 0.04 1.26 0.455 0.0591 1.75 2.1285 0.9868 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A07 compound treatment 0.5 0.022 0.69 0.439 0.0431 1.28 1.393 0.9584 3559373 ACon1_002247 C/C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C3CCC=C(C)[C@]13C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A08 compound treatment 0.564 0.086 2.7 0.507 0.111 3.29 4.2408 0.9952 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A09 compound treatment 0.524 0.046 1.45 0.454 0.0581 1.72 2.2409 0.9962 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A10 compound treatment 0.486 0.008 0.25 0.421 0.0251 0.74 0.7046 0.8962 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A11 compound treatment 0.498 0.02 0.63 0.432 0.0361 1.07 1.2019 0.9678 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A12 compound treatment 0.473 -0.005 -0.16 0.403 0.00714 0.21 0.0384 0.1457 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A13 mock treatment 0.48 0.002 0.06 0.423 0.0271 0.8 0.6131 0.7601 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A14 mock treatment 0.478 0.0 0.0 0.415 0.0191 0.57 0.401 0.7071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A15 compound treatment 0.52 0.042 1.32 0.451 0.0551 1.63 2.0891 0.9944 3616488 ACon1_002253 CON1c2ccccc2[C@]3(C=C(OC)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@@]143)C(C)(C)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A16 compound treatment 0.572 0.094 2.96 0.535 0.139 4.12 5.0053 0.9867 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A17 compound treatment 0.476 -0.002 -0.06 0.421 0.0251 0.74 0.4822 0.6451 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A18 compound treatment 0.479 0.001 0.03 0.415 0.0191 0.57 0.4232 0.7452 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A19 compound treatment 0.536 0.058 1.82 0.503 0.107 3.17 3.5344 0.9654 3558714 ACon1_002257 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc2c1)c5ccc(O)cc5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A20 compound treatment 0.498 0.02 0.63 0.414 0.0181 0.54 0.8247 0.9969 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A21 compound treatment 0.489 0.011 0.35 0.39 -0.00586 -0.17 0.1217 0.3146 3559881 ACon1_002259 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A22 compound treatment 0.478 0.0 0.0 0.4 0.00414 0.12 0.0867 0.7071 3616494 ACon1_002260 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=C[C@@]78OC[C@@]9(CCC(C)(C)C[C@H]98)[C@@H](O)C[C@]76C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A23 compound treatment 0.469 -0.009 -0.28 0.329 -0.0669 -1.98 -1.601 -0.8 3552806 ACon1_002261 C[C@@H]1O[C@@H](OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 A24 compound treatment 0.488 0.01 0.31 0.419 0.0231 0.69 0.7071 0.9375 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B01 compound treatment 0.472 -0.006 -0.19 0.392 -0.00386 -0.11 -0.2143 -0.9713 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B02 mock treatment 0.454 -0.024 -0.75 0.379 -0.0169 -0.5 -0.8869 -0.98 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B03 compound treatment 0.45 -0.028 -0.88 0.396 1.38E-4 0.0 -0.6197 -0.7038 3559335 ACon1_002264 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B04 mock treatment 0.44 -0.038 -1.19 0.377 -0.0189 -0.56 -1.2401 -0.9401 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B05 compound treatment 0.443 -0.035 -1.1 0.368 -0.0279 -0.83 -1.362 -0.99 3616499 ACon1_002265 CO[C@@H]1[C@H](Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B06 mock treatment 0.433 -0.045 -1.41 0.367 -0.0289 -0.86 -1.6053 -0.9709 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B07 compound treatment 0.437 -0.041 -1.29 0.375 -0.0209 -0.62 -1.3487 -0.9433 3616501 ACon1_002266 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)cc2)C(=O)O)OC(=O)/C=C/c3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B08 mock treatment 0.438 -0.04 -1.26 0.375 -0.0209 -0.62 -1.3265 -0.9465 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B09 compound treatment 0.459 -0.019 -0.6 0.382 -0.0139 -0.41 -0.7129 -0.9833 3616503 ACon1_002267 COC(=O)[C@]12O[C@@H]2[C@@H](C[C@H]3[C@]4(C)C[C@H](OC(=O)[C@H]4CC[C@]31C)c5ccoc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B10 mock treatment 0.448 -0.03 -0.94 0.384 -0.0119 -0.35 -0.9156 -0.9095 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B11 compound treatment 0.452 -0.026 -0.82 0.376 -0.0199 -0.59 -0.9942 -0.987 3616506 ACon1_002268 OC1C(O)C2C(C(C1C=C2/C=C/C(=O)O)c3ccc(O)c(O)c3)C(=O)OC(Cc4ccc(O)c(O)c4)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B12 mock treatment 0.454 -0.024 -0.75 0.388 -0.00786 -0.23 -0.6983 -0.8842 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B13 mock treatment 0.45 -0.028 -0.88 0.377 -0.0189 -0.56 -1.0178 -0.9759 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B14 mock treatment 0.447 -0.031 -0.97 0.375 -0.0209 -0.62 -1.1264 -0.9759 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B15 compound treatment 0.438 -0.04 -1.26 0.37 -0.0259 -0.77 -1.4312 -0.9718 3558465 ACon1_002269 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)cc6)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B16 mock treatment 0.445 -0.033 -1.04 0.386 -0.00986 -0.29 -0.9404 -0.8723 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B17 compound treatment 0.436 -0.042 -1.32 0.374 -0.0219 -0.65 -1.3919 -0.9463 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B18 mock treatment 0.446 -0.032 -1.01 0.385 -0.0109 -0.32 -0.9391 -0.8889 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B19 compound treatment 0.448 -0.03 -0.94 0.372 -0.0239 -0.71 -1.167 -0.9899 3559140 ACon1_002271 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B20 mock treatment 0.436 -0.042 -1.32 0.348 -0.0479 -1.42 -1.9367 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B21 compound treatment 0.476 -0.002 -0.06 0.369 -0.0269 -0.8 -0.6073 -0.7606 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B22 mock treatment 0.427 -0.051 -1.6 0.312 -0.0839 -2.48 -2.8911 -0.9775 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B23 compound treatment 0.437 -0.041 -1.29 0.457 0.0611 1.81 0.3694 0.1661 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 B24 mock treatment 0.459 -0.019 -0.6 0.4 0.00414 0.12 -0.3357 -0.5505 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C01 compound treatment 0.432 -0.046 -1.45 0.41 0.0141 0.42 -0.7265 -0.4825 3557715 ACon1_002274 OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C02 compound treatment 0.517 0.039 1.23 0.44 0.0441 1.31 1.7919 0.9995 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C03 compound treatment 0.467 -0.011 -0.35 0.391 -0.00486 -0.14 -0.3464 -0.9246 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C04 compound treatment 0.48 0.002 0.06 0.397 0.00114 0.03 0.0683 0.9573 3553732 ACon1_002277 CC(NC(=O)/C=C/C(=O)O)C(=O)NC(C(C)c1c[nH]c2ccccc12)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C05 compound treatment 0.492 0.014 0.44 0.425 0.0291 0.86 0.9218 0.9511 3553321 ACon1_002278 CC(=O)O[C@@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)C2[C@H](OC(=O)C2=C)/C=C1/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C06 compound treatment 0.453 -0.025 -0.79 0.382 -0.0139 -0.41 -0.8463 -0.9542 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C07 compound treatment 0.505 0.027 0.85 0.432 0.0361 1.07 1.3575 0.9934 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C08 compound treatment 0.509 0.031 0.97 0.424 0.0281 0.83 1.2788 0.997 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C09 compound treatment 0.492 0.014 0.44 0.413 0.0171 0.51 0.6704 0.9975 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C10 compound treatment 0.486 0.008 0.25 0.403 0.00714 0.21 0.3274 0.9963 2107842 ACon1_002283 C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@](C)(C4OC(=O)C)[C@H]2OC(=O)C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C11 mock treatment 0.476 -0.002 -0.06 0.393 -0.00286 -0.08 -0.1044 -0.9892 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C12 mock treatment 0.466 -0.012 -0.38 0.4 0.00414 0.12 -0.1801 -0.454 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C13 compound treatment 0.504 0.026 0.82 0.425 0.0291 0.86 1.1886 0.9996 3554771 ACon1_002284 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C14 compound treatment 0.481 0.003 0.09 0.388 -0.00786 -0.23 -0.098 -0.39 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C15 mock treatment 0.469 -0.009 -0.28 0.389 -0.00686 -0.2 -0.3439 -0.9868 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C16 mock treatment 0.475 -0.003 -0.09 0.395 -8.62E-4 -0.03 -0.0848 -0.8674 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C17 compound treatment 0.333 -0.145 -4.56 0.272 -0.124 -3.67 -5.8192 -0.9942 3558911 ACon1_002286 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C18 compound treatment 0.479 0.001 0.03 0.402 0.00614 0.18 0.1508 0.8172 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C19 compound treatment 0.477 -0.001 -0.03 0.394 -0.00186 -0.06 -0.0612 -0.9645 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C20 compound treatment 0.473 -0.005 -0.16 0.404 0.00814 0.24 0.0593 0.2061 3616511 ACon1_002289 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C21 compound treatment 0.554 0.076 2.39 0.521 0.125 3.71 4.3118 0.9774 3616514 ACon1_002290 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)OC(=O)/C=C/c3ccc(O)c(O)c3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C22 compound treatment 0.482 0.004 0.13 0.452 0.0561 1.66 1.2652 0.7584 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C23 compound treatment 0.476 -0.002 -0.06 0.394 -0.00186 -0.06 -0.0835 -0.9979 3555607 ACon1_002292 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)cc6)c7ccc(O)cc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 C24 compound treatment 0.494 0.016 0.5 0.413 0.0171 0.51 0.7148 1.0 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D01 compound treatment 0.502 0.024 0.75 0.42 0.0241 0.72 1.0394 0.9996 3616522 ACon1_002294 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@@]56OC[C@@]7(CCC(C)(C)C[C@H]76)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D02 mock treatment 0.477 -0.001 -0.03 0.394 -0.00186 -0.06 -0.0612 -0.9645 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D03 compound treatment 0.475 -0.003 -0.09 0.396 1.38E-4 0.0 -0.0638 -0.6758 3616525 ACon1_002295 OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D04 mock treatment 0.461 -0.017 -0.53 0.381 -0.0149 -0.44 -0.6894 -0.9954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D05 compound treatment 0.451 -0.027 -0.85 0.378 -0.0179 -0.53 -0.9746 -0.9741 3616527 ACon1_002296 COC(=O)C1=C[C@@H](C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D06 mock treatment 0.463 -0.015 -0.47 0.383 -0.0129 -0.38 -0.603 -0.9944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D07 compound treatment 0.482 0.004 0.13 0.396 1.38E-4 0.0 0.0918 0.7297 3616529 ACon1_002297 CC1OC(OC2C(O)COC(OC3C(O)C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(C)C(O)C(OC%11OCC(O)C(OC%12OCC(OC%13OCC(O)(CO)C%13O)C(O)C%12O)C%11O)C%10O)C(C)(CO)C9CCC8(C)C7(C)CC5O)OC(C)C(O)C4OC%14OCC(O)C(O)C%14O)C3O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D08 mock treatment 0.467 -0.011 -0.35 0.388 -0.00786 -0.23 -0.4093 -0.9815 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D09 compound treatment 0.484 0.006 0.19 0.404 0.00814 0.24 0.3039 0.9926 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D10 mock treatment 0.467 -0.011 -0.35 0.387 -0.00886 -0.26 -0.4303 -0.9908 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D11 mock treatment 0.473 -0.005 -0.16 0.382 -0.0139 -0.41 -0.4016 -0.9132 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D12 mock treatment 0.481 0.003 0.09 0.393 -0.00286 -0.08 0.0067 0.0531 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D13 compound treatment 0.474 -0.004 -0.13 0.4 0.00414 0.12 -0.0022 -0.0127 3616533 ACon1_002299 CC1(CO)C(OC2OCC(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(=C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D14 mock treatment 0.481 0.003 0.09 0.385 -0.0109 -0.32 -0.1609 -0.4797 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D15 mock treatment 0.462 -0.016 -0.5 0.379 -0.0169 -0.5 -0.709 -1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D16 mock treatment 0.483 0.005 0.16 0.406 0.0101 0.3 0.3236 0.9544 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D17 compound treatment 0.464 -0.014 -0.44 0.383 -0.0129 -0.38 -0.5808 -0.9974 3559611 ACon1_002300 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@@]89OC[C@@]%10(CCC(C)(C)CC%109)[C@H](O)C[C@]87C)C5(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D18 mock treatment 0.467 -0.011 -0.35 0.385 -0.0109 -0.32 -0.4722 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D19 compound treatment 0.467 -0.011 -0.35 0.382 -0.0139 -0.41 -0.535 -0.9963 3559413 ACon1_002301 COC(=O)[C@H]1CC[C@H](OC(=O)C)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D20 mock treatment 0.454 -0.024 -0.75 0.385 -0.0109 -0.32 -0.7612 -0.9278 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D21 compound treatment 0.467 -0.011 -0.35 0.382 -0.0139 -0.41 -0.535 -0.9963 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D22 mock treatment 0.457 -0.021 -0.66 0.377 -0.0189 -0.56 -0.8621 -0.9966 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D23 compound treatment 0.489 0.011 0.35 0.408 0.0121 0.36 0.4989 0.9998 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 D24 mock treatment 0.497 0.019 0.6 0.419 0.0231 0.69 0.9072 0.9976 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E01 mock treatment 0.492 0.014 0.44 0.414 0.0181 0.54 0.6913 0.9951 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E02 mock treatment 0.471 -0.007 -0.22 0.399 0.00314 0.09 -0.0899 -0.3762 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E03 compound treatment 0.525 0.047 1.48 0.44 0.0441 1.31 1.9698 0.9981 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E04 compound treatment 0.454 -0.024 -0.75 0.379 -0.0169 -0.5 -0.8869 -0.98 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E05 compound treatment 0.48 0.002 0.06 0.386 -0.00986 -0.29 -0.1622 -0.5425 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E06 compound treatment 0.474 -0.004 -0.13 0.394 -0.00186 -0.06 -0.128 -0.9316 3616546 ACon1_002307 CC1OC(OCC2(C)CCC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(COC7OC(CO)C(O)C(O)C7O)C6CCC54C)C3=C2)C(=O)O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E07 compound treatment 0.474 -0.004 -0.13 0.387 -0.00886 -0.26 -0.2746 -0.9432 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E08 compound treatment 0.507 0.029 0.91 0.429 0.0331 0.98 1.3391 0.9993 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E09 mock treatment 0.475 -0.003 -0.09 0.4 0.00414 0.12 0.02 0.1293 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E10 mock treatment 0.471 -0.007 -0.22 0.393 -0.00286 -0.08 -0.2156 -0.9141 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E11 compound treatment 0.477 -0.001 -0.03 0.4 0.00414 0.12 0.0645 0.5093 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E12 compound treatment 0.494 0.016 0.5 0.413 0.0171 0.51 0.7148 1.0 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E13 compound treatment 0.517 0.039 1.23 0.426 0.0301 0.89 1.4986 0.9879 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E14 compound treatment 0.505 0.027 0.85 0.411 0.0151 0.45 0.9175 0.9555 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E15 compound treatment 0.49 0.012 0.38 0.402 0.00614 0.18 0.3954 0.944 3554678 ACon1_002314 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3OC(=O)C[C@H]5\C(=C\C)\[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E16 compound treatment 0.477 -0.001 -0.03 0.399 0.00314 0.09 0.0435 0.4433 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E17 mock treatment 0.477 -0.001 -0.03 0.388 -0.00786 -0.23 -0.187 -0.7953 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E18 mock treatment 0.481 0.003 0.09 0.391 -0.00486 -0.14 -0.0352 -0.2042 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E19 compound treatment 0.483 0.005 0.16 0.387 -0.00886 -0.26 -0.0745 -0.2435 3553717 ACon1_002316 CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C/C(=C/C(=C/C(=O)O)/C)/C)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E20 compound treatment 0.511 0.033 1.04 0.387 -0.00886 -0.26 0.548 0.512 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E21 compound treatment 0.48 0.002 0.06 0.386 -0.00986 -0.29 -0.1622 -0.5425 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E22 compound treatment 0.468 -0.01 -0.31 0.391 -0.00486 -0.14 -0.3242 -0.9374 3616560 ACon1_002319 O[C@@H]1[C@@H](COC(=O)/C=C/C2(O)C=CC(=O)C=C2)O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@H]1OC(=O)/C=C/C4(O)C=CC(=O)C=C4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E23 compound treatment 0.494 0.016 0.5 0.421 0.0251 0.74 0.8824 0.9817 1088382 ACon1_002320 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 E24 compound treatment 0.504 0.026 0.82 0.454 0.0581 1.72 1.7962 0.942 3616565 ACon1_002321 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F01 mock treatment 0.501 0.023 0.72 0.411 0.0151 0.45 0.8286 0.9736 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F02 mock treatment 0.49 0.012 0.38 0.402 0.00614 0.18 0.3954 0.944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F03 compound treatment 0.471 -0.007 -0.22 0.391 -0.00486 -0.14 -0.2575 -0.9789 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F04 mock treatment 0.469 -0.009 -0.28 0.397 0.00114 0.03 -0.1763 -0.6185 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F05 compound treatment 0.481 0.003 0.09 0.4 0.00414 0.12 0.1534 0.9916 3616570 ACon1_002323 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H]4CN5CCc6c([nH]c7ccccc67)[C@]5(C[C@@H]31)O4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F06 mock treatment 0.484 0.006 0.19 0.391 -0.00486 -0.14 0.0315 0.1328 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F07 compound treatment 0.468 -0.01 -0.31 0.387 -0.00886 -0.26 -0.408 -0.996 3616572 ACon1_002324 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC3OCC(O)C(O)C3O)O[C@@H](Oc4cc(O)c5C(=O)CC(Oc5c4)c6ccc(O)cc6)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F08 mock treatment 0.476 -0.002 -0.06 0.39 -0.00586 -0.17 -0.1673 -0.9056 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F09 mock treatment 0.469 -0.009 -0.28 0.392 -0.00386 -0.11 -0.281 -0.9206 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F10 mock treatment 0.469 -0.009 -0.28 0.382 -0.0139 -0.41 -0.4906 -0.9835 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F11 compound treatment 0.479 0.001 0.03 0.389 -0.00686 -0.2 -0.1215 -0.5907 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F12 mock treatment 0.496 0.018 0.57 0.391 -0.00486 -0.14 0.2983 0.5108 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F13 compound treatment 0.492 0.014 0.44 0.4 0.00414 0.12 0.398 0.8709 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F14 mock treatment 0.491 0.013 0.41 0.39 -0.00586 -0.17 0.1662 0.3742 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F15 compound treatment 0.504 0.026 0.82 0.38 -0.0159 -0.47 0.2457 0.2606 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F16 mock treatment 0.498 0.02 0.63 0.396 1.38E-4 0.0 0.4476 0.7117 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F17 mock treatment 0.48 0.002 0.06 0.387 -0.00886 -0.26 -0.1412 -0.523 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F18 mock treatment 0.486 0.008 0.25 0.396 1.38E-4 0.0 0.1808 0.7185 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F19 compound treatment 0.477 -0.001 -0.03 0.4 0.00414 0.12 0.0645 0.5093 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F20 mock treatment 0.484 0.006 0.19 0.394 -0.00186 -0.06 0.0944 0.4802 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F21 compound treatment 0.528 0.05 1.57 0.438 0.0421 1.25 1.9946 0.9935 3558554 ACon1_002329 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F22 mock treatment 0.479 0.001 0.03 0.398 0.00214 0.06 0.067 0.9478 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F23 compound treatment 0.577 0.099 3.11 0.512 0.116 3.44 4.6346 0.9987 3616583 ACon1_002330 OC(=O)c1cc(O)c(O)c(O)c1Oc2cc3C(=O)OC[C@H]4O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@@H](OC(=O)c7cc(O)c(O)c(O)c7)[C@@H]4OC(=O)c8cc(O)c(O)c(O)c8-c3c(O)c2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 F24 mock treatment 0.519 0.041 1.29 0.431 0.0351 1.04 1.6478 0.9944 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G01 compound treatment 0.505 0.027 0.85 0.417 0.0211 0.63 1.0432 0.9888 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G02 compound treatment 0.481 0.003 0.09 0.391 -0.00486 -0.14 -0.0352 -0.2042 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G03 mock treatment 0.472 -0.006 -0.19 0.381 -0.0149 -0.44 -0.4448 -0.9284 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G04 mock treatment 0.451 -0.027 -0.85 0.375 -0.0209 -0.62 -1.0374 -0.9879 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G05 compound treatment 0.459 -0.019 -0.6 0.391 -0.00486 -0.14 -0.5243 -0.8532 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G06 compound treatment 0.457 -0.021 -0.66 0.382 -0.0139 -0.41 -0.7574 -0.9739 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G07 compound treatment 0.485 0.007 0.22 0.408 0.0121 0.36 0.41 0.9722 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G08 compound treatment 0.454 -0.024 -0.75 0.393 -0.00286 -0.08 -0.5936 -0.7817 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G09 compound treatment 0.48 0.002 0.06 0.395 -8.62E-4 -0.03 0.0264 0.389 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G10 compound treatment 0.476 -0.002 -0.06 0.384 -0.0119 -0.35 -0.293 -0.8206 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G11 compound treatment 0.468 -0.01 -0.31 0.397 0.00114 0.03 -0.1985 -0.6277 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G12 compound treatment 0.473 -0.005 -0.16 0.415 0.0191 0.57 0.2898 0.4925 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G13 compound treatment 0.497 0.019 0.6 0.399 0.00314 0.09 0.4882 0.8074 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G14 compound treatment 0.483 0.005 0.16 0.395 -8.62E-4 -0.03 0.0931 0.5846 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G15 compound treatment 0.486 0.008 0.25 0.391 -0.00486 -0.14 0.076 0.2622 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G16 compound treatment 0.478 0.0 0.0 0.382 -0.0139 -0.41 -0.2904 -0.7071 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G17 compound treatment 0.483 0.005 0.16 0.397 0.00114 0.03 0.135 0.8397 3558054 ACon1_002345 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\CO)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G18 compound treatment 0.488 0.01 0.31 0.394 -0.00186 -0.06 0.1833 0.5743 3553083 ACon1_002346 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)N9C[C@@H](C)CC[C@H]19 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G19 mock treatment 0.464 -0.014 -0.44 0.39 -0.00586 -0.17 -0.4341 -0.9173 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G20 mock treatment 0.464 -0.014 -0.44 0.378 -0.0179 -0.53 -0.6855 -0.9958 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G21 compound treatment 0.469 -0.009 -0.28 0.39 -0.00586 -0.17 -0.3229 -0.9725 3557521 ACon1_002347 COc1cc(/C=C/C(=O)OC2C(O)C(O)C(OC3(CO)OC(CO)C(O)C3O)OC2COC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G22 compound treatment 0.471 -0.007 -0.22 0.384 -0.0119 -0.35 -0.4042 -0.9746 3557725 ACon1_002348 OC[C@H]1OC(Oc2cc(O)c3c(=O)c(O)c(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G23 compound treatment 0.523 0.045 1.41 0.423 0.0271 0.8 1.5691 0.9641 3558206 ACon1_002349 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 G24 compound treatment 0.49 0.012 0.38 0.418 0.0221 0.66 0.7307 0.9655 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H01 compound treatment 0.503 0.025 0.79 0.433 0.0371 1.1 1.334 0.9864 3616603 ACon1_002351 O[C@H]1[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H02 mock treatment 0.47 -0.008 -0.25 0.401 0.00514 0.15 -0.0702 -0.2388 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H03 mock treatment 0.456 -0.022 -0.69 0.38 -0.0159 -0.47 -0.8215 -0.9823 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H04 mock treatment 0.482 0.004 0.13 0.394 -0.00186 -0.06 0.0499 0.3635 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H05 compound treatment 0.494 0.016 0.5 0.406 0.0101 0.3 0.5682 0.9696 3616608 ACon1_002352 COC(=O)C1=CC(=C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H06 mock treatment 0.45 -0.028 -0.88 0.386 -0.00986 -0.29 -0.8292 -0.8939 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H07 compound treatment 0.464 -0.014 -0.44 0.381 -0.0149 -0.44 -0.6227 -1.0 3616611 ACon1_002353 CC(C)(CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]3C(=CC[C@]4(C(=O)O)C3=CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H08 mock treatment 0.466 -0.012 -0.38 0.392 -0.00386 -0.11 -0.3477 -0.8819 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H09 compound treatment 0.478 0.0 0.0 0.404 0.00814 0.24 0.1705 0.7071 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H10 mock treatment 0.478 0.0 0.0 0.397 0.00114 0.03 0.0238 0.7071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H11 compound treatment 0.495 0.017 0.53 0.401 0.00514 0.15 0.4856 0.8738 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H12 mock treatment 0.477 -0.001 -0.03 0.394 -0.00186 -0.06 -0.0612 -0.9645 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H13 compound treatment 0.493 0.015 0.47 0.396 1.38E-4 0.0 0.3364 0.7132 3616618 ACon1_002356 CC(O)CCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H14 mock treatment 0.49 0.012 0.38 0.389 -0.00686 -0.2 0.123 0.287 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H15 compound treatment 0.487 0.009 0.28 0.399 0.00314 0.09 0.2659 0.8925 3616621 ACon1_002357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H16 mock treatment 0.484 0.006 0.19 0.398 0.00214 0.06 0.1782 0.8954 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H17 compound treatment 0.519 0.041 1.29 0.432 0.0361 1.07 1.6688 0.9957 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H18 mock treatment 0.48 0.002 0.06 0.378 -0.0179 -0.53 -0.3298 -0.6187 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H19 mock treatment 0.479 0.001 0.03 0.391 -0.00486 -0.14 -0.0796 -0.5401 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H20 mock treatment 0.477 -0.001 -0.03 0.385 -0.0109 -0.32 -0.2498 -0.7725 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H21 compound treatment 0.583 0.105 3.3 0.512 0.116 3.44 4.768 0.9998 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H22 mock treatment 0.498 0.02 0.63 0.386 -0.00986 -0.29 0.238 0.3433 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H23 compound treatment 0.508 0.03 0.94 0.399 0.00314 0.09 0.7328 0.7731 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 H24 mock treatment 0.506 0.028 0.88 0.421 0.0251 0.74 1.1493 0.9965 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I01 compound treatment 0.507 0.029 0.91 0.431 0.0351 1.04 1.381 0.9978 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I02 compound treatment 0.472 -0.006 -0.19 0.392 -0.00386 -0.11 -0.2143 -0.9713 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I03 compound treatment 0.471 -0.007 -0.22 0.393 -0.00286 -0.08 -0.2156 -0.9141 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I04 compound treatment 0.477 -0.001 -0.03 0.383 -0.0129 -0.38 -0.2917 -0.7629 3616624 ACon1_002364 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)/C=C/C(=O)O)C(C)c3c[nH]c4ccccc34 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I05 mock treatment 0.467 -0.011 -0.35 0.378 -0.0179 -0.53 -0.6188 -0.9787 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I06 mock treatment 0.471 -0.007 -0.22 0.384 -0.0119 -0.35 -0.4042 -0.9746 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I07 compound treatment 0.455 -0.023 -0.72 0.368 -0.0279 -0.83 -1.0952 -0.9978 3616627 ACon1_002365 C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I08 compound treatment 0.46 -0.018 -0.57 0.397 0.00114 0.03 -0.3764 -0.6638 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I09 compound treatment 0.473 -0.005 -0.16 0.403 0.00714 0.21 0.0384 0.1457 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I10 compound treatment 0.49 0.012 0.38 0.386 -0.00986 -0.29 0.0602 0.1261 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I11 compound treatment 0.484 0.006 0.19 0.391 -0.00486 -0.14 0.0315 0.1328 3558142 ACon1_002369 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I12 compound treatment 0.505 0.027 0.85 0.429 0.0331 0.98 1.2946 0.9974 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I13 compound treatment 0.494 0.016 0.5 0.407 0.0111 0.33 0.5891 0.9791 3554843 ACon1_002371 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(OC)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I14 compound treatment 0.467 -0.011 -0.35 0.38 -0.0159 -0.47 -0.5769 -0.9886 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I15 compound treatment 0.419 -0.059 -1.86 0.344 -0.0519 -1.54 -2.3985 -0.9956 3552057 ACon1_002373 C/C=C/C(O)C(C)CC(C)C(OC(=O)CCC(=O)O)C(C)/C=C/C=C/C=C(\C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I16 compound treatment 0.502 0.024 0.75 0.413 0.0171 0.51 0.8927 0.9814 3554656 ACon1_002374 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](OC(=O)C)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I17 compound treatment 0.481 0.003 0.09 0.395 -8.62E-4 -0.03 0.0486 0.4977 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I18 compound treatment 0.48 0.002 0.06 0.398 0.00214 0.06 0.0893 1.0 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I19 compound treatment 0.472 -0.006 -0.19 0.376 -0.0199 -0.59 -0.5496 -0.8892 3559399 ACon1_002377 OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I20 compound treatment 0.486 0.008 0.25 0.402 0.00614 0.18 0.3065 0.9873 3616634 ACon1_002378 CC(CC(C)OC(=O)/C=C/c1ccc(O)cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I21 mock treatment 0.462 -0.016 -0.5 0.391 -0.00486 -0.14 -0.4576 -0.8745 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I22 mock treatment 0.465 -0.013 -0.41 0.381 -0.0149 -0.44 -0.6004 -0.9993 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I23 compound treatment 0.48 0.002 0.06 0.393 -0.00286 -0.08 -0.0155 -0.1468 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 I24 compound treatment 0.486 0.008 0.25 0.415 0.0191 0.57 0.5789 0.9331 3616636 ACon1_002380 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](OC(=O)/C=C/C3(O)C=CC(=O)C=C3)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J01 compound treatment 0.496 0.018 0.57 0.43 0.0341 1.01 1.1155 0.9623 3616638 ACon1_002381 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)Oc4cc5occ(c6ccc(O)cc6)c(=O)c5c(O)c4C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J02 mock treatment 0.477 -0.001 -0.03 0.388 -0.00786 -0.23 -0.187 -0.7953 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J03 compound treatment 0.456 -0.022 -0.69 0.392 -0.00386 -0.11 -0.5701 -0.813 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J04 mock treatment 0.475 -0.003 -0.09 0.393 -0.00286 -0.08 -0.1267 -0.9986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J05 mock treatment 0.465 -0.013 -0.41 0.383 -0.0129 -0.38 -0.5585 -0.9994 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J06 mock treatment 0.49 0.012 0.38 0.387 -0.00886 -0.26 0.0811 0.1765 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J07 compound treatment 0.51 0.032 1.01 0.421 0.0251 0.74 1.2382 0.989 3616641 ACon1_002383 CC1(CO)C(CCC2(C)C1CCC3(C)C2CC=C4C5CC(=C)CCC5(CCC43C)C(=O)OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)OC8OC(CO)C(O)C(O)C8O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J08 mock treatment 0.475 -0.003 -0.09 0.399 0.00314 0.09 -0.001 -0.0072 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J09 compound treatment 0.498 0.02 0.63 0.424 0.0281 0.83 1.0342 0.9903 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J10 mock treatment 0.481 0.003 0.09 0.393 -0.00286 -0.08 0.0067 0.0531 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J11 compound treatment 0.495 0.017 0.53 0.4 0.00414 0.12 0.4647 0.8473 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J12 mock treatment 0.505 0.027 0.85 0.39 -0.00586 -0.17 0.4775 0.551 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J13 compound treatment 0.474 -0.004 -0.13 0.385 -0.0109 -0.32 -0.3165 -0.916 3616646 ACon1_002386 O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)c3coc4cc(O)ccc4c3=O)O[C@@H]([C@H]1O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J14 mock treatment 0.488 0.01 0.31 0.38 -0.0159 -0.47 -0.11 -0.1945 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J15 compound treatment 0.493 0.015 0.47 0.396 1.38E-4 0.0 0.3364 0.7132 3616648 ACon1_002387 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](CO)O[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J16 mock treatment 0.491 0.013 0.41 0.392 -0.00386 -0.11 0.2081 0.4903 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J17 compound treatment 0.469 -0.009 -0.28 0.378 -0.0179 -0.53 -0.5744 -0.957 3557669 ACon1_002388 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](O)C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@]61OCC(=C)[C@H](O)[C@@H]6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J18 mock treatment 0.487 0.009 0.28 0.39 -0.00586 -0.17 0.0773 0.2327 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J19 compound treatment 0.494 0.016 0.5 0.406 0.0101 0.3 0.5682 0.9696 3559791 ACon1_002389 COc1ccc(cc1)C(=O)O[C@H]2CC(=CC[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J20 mock treatment 0.485 0.007 0.22 0.397 0.00114 0.03 0.1795 0.806 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J21 mock treatment 0.482 0.004 0.13 0.394 -0.00186 -0.06 0.0499 0.3635 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J22 mock treatment 0.475 -0.003 -0.09 0.387 -0.00886 -0.26 -0.2524 -0.9045 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J23 mock treatment 0.485 0.007 0.22 0.416 0.0201 0.6 0.5776 0.9081 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 J24 mock treatment 0.509 0.031 0.97 0.435 0.0391 1.16 1.5093 0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K01 compound treatment 0.505 0.027 0.85 0.437 0.0411 1.22 1.4623 0.9844 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K02 compound treatment 0.476 -0.002 -0.06 0.409 0.0131 0.39 0.2308 0.5853 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K03 compound treatment 0.485 0.007 0.22 0.397 0.00114 0.03 0.1795 0.806 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K04 compound treatment 0.507 0.029 0.91 0.431 0.0351 1.04 1.381 0.9978 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K05 compound treatment 0.47 -0.008 -0.25 0.393 -0.00286 -0.08 -0.2378 -0.896 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K06 compound treatment 0.476 -0.002 -0.06 0.399 0.00314 0.09 0.0213 0.1896 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K07 mock treatment 0.485 0.007 0.22 0.384 -0.0119 -0.35 -0.0929 -0.224 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K08 mock treatment 0.479 0.001 0.03 0.387 -0.00886 -0.26 -0.1635 -0.618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K09 compound treatment 0.491 0.013 0.41 0.417 0.0211 0.63 0.7319 0.9786 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K10 compound treatment 0.506 0.028 0.88 0.425 0.0291 0.86 1.2331 1.0 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K11 compound treatment 0.523 0.045 1.41 0.428 0.0321 0.95 1.6739 0.9814 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K12 compound treatment 0.488 0.01 0.31 0.395 -8.62E-4 -0.03 0.2043 0.6475 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K13 compound treatment 0.496 0.018 0.57 0.393 -0.00286 -0.08 0.3402 0.5945 3557992 ACon1_002400 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@@H](C[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C)OC(=O)c4ccccc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K14 compound treatment 0.52 0.042 1.32 0.424 0.0281 0.83 1.5234 0.9754 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K15 mock treatment 0.489 0.011 0.35 0.396 1.38E-4 0.0 0.2475 0.7154 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K16 mock treatment 0.484 0.006 0.19 0.383 -0.0129 -0.38 -0.1361 -0.32 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K17 compound treatment 0.499 0.021 0.66 0.396 1.38E-4 0.0 0.4698 0.7115 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K18 compound treatment 0.426 -0.052 -1.64 0.343 -0.0529 -1.57 -2.2638 -0.9998 3616656 ACon1_002403 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C/c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K19 compound treatment 0.483 0.005 0.16 0.389 -0.00686 -0.2 -0.0326 -0.1269 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K20 compound treatment 0.521 0.043 1.35 0.429 0.0331 0.98 1.6504 0.9877 3558737 ACon1_002405 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K21 compound treatment 0.486 0.008 0.25 0.413 0.0171 0.51 0.537 0.9475 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K22 compound treatment 0.52 0.042 1.32 0.439 0.0431 1.28 1.8377 0.9999 3616657 ACon1_002407 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC6OC(CO)C(O)C(O)C6O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K23 mock treatment 0.477 -0.001 -0.03 0.404 0.00814 0.24 0.1483 0.6097 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 K24 mock treatment 0.505 0.027 0.85 0.422 0.0261 0.77 1.148 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L01 compound treatment 0.501 0.023 0.72 0.433 0.0371 1.1 1.2895 0.9793 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L02 mock treatment 0.463 -0.015 -0.47 0.391 -0.00486 -0.14 -0.4354 -0.8828 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L03 compound treatment 0.504 0.026 0.82 0.432 0.0361 1.07 1.3353 0.9911 3616661 ACon1_002409 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc3O[C@@H]([C@@H](Oc3c2)C(=O)O)c4ccc(O)c(O)c4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L04 mock treatment 0.462 -0.016 -0.5 0.382 -0.0139 -0.41 -0.6462 -0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L05 compound treatment 0.48 0.002 0.06 0.405 0.00914 0.27 0.2359 0.8487 3616663 ACon1_002410 COC(=O)C1CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H]3C(=O)O[C@@H](C[C@]32C)c4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L06 mock treatment 0.48 0.002 0.06 0.398 0.00214 0.06 0.0893 1.0 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L07 mock treatment 0.473 -0.005 -0.16 0.392 -0.00386 -0.11 -0.1921 -0.9878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L08 mock treatment 0.467 -0.011 -0.35 0.382 -0.0139 -0.41 -0.535 -0.9963 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L09 compound treatment 0.529 0.051 1.6 0.438 0.0421 1.25 2.0168 0.9923 3616665 ACon1_002411 C/C(=C\CCC(C)(OC1OCC(O)C(O)C1OC(=O)\C(=C\CCC(C)(O)C=C)\C)C=C)/C(=O)OC2CC3(C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(=O)OC%10OCC(OC%11OC(CO)C(O)C(OC%12OC(CO)C(OC%13OC(CO)C(O)C(O)C%13O)C(O)C%12O)C%11O)C(O)C%10O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L10 mock treatment 0.474 -0.004 -0.13 0.384 -0.0119 -0.35 -0.3375 -0.904 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L11 compound treatment 0.52 0.042 1.32 0.432 0.0361 1.07 1.691 0.9946 3616667 ACon1_002412 CC1OC(OC2C(O)C(O)C(C)OC2OC3(C)CC(OC4OC(CO)C(O)C(OC(=O)C)C4O)C5C(CCC6C(C)(C)CCCC65C)O3)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L12 mock treatment 0.476 -0.002 -0.06 0.396 1.38E-4 0.0 -0.0416 -0.6598 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L13 compound treatment 0.462 -0.016 -0.5 0.391 -0.00486 -0.14 -0.4576 -0.8745 3558283 ACon1_002413 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%111CCC(C)CO%11 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L14 mock treatment 0.474 -0.004 -0.13 0.394 -0.00186 -0.06 -0.128 -0.9316 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L15 mock treatment 0.478 0.0 0.0 0.388 -0.00786 -0.23 -0.1647 -0.7071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L16 mock treatment 0.48 0.002 0.06 0.387 -0.00886 -0.26 -0.1412 -0.523 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L17 compound treatment 0.503 0.025 0.79 0.4 0.00414 0.12 0.6425 0.8076 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L18 mock treatment 0.473 -0.005 -0.16 0.39 -0.00586 -0.17 -0.234 -0.9988 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L19 compound treatment 0.484 0.006 0.19 0.393 -0.00286 -0.08 0.0734 0.355 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L20 mock treatment 0.478 0.0 0.0 0.389 -0.00686 -0.2 -0.1438 -0.7071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L21 compound treatment 0.474 -0.004 -0.13 0.375 -0.0209 -0.62 -0.5261 -0.8339 3558013 ACon1_002416 CC(=O)O[C@H]1CC(C)(C)CC2[C@@]31CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L22 mock treatment 0.474 -0.004 -0.13 0.385 -0.0109 -0.32 -0.3165 -0.916 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L23 mock treatment 0.459 -0.019 -0.6 0.39 -0.00586 -0.17 -0.5453 -0.8764 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 L24 mock treatment 0.506 0.028 0.88 0.42 0.0241 0.72 1.1283 0.9947 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M01 compound treatment 0.461 -0.017 -0.53 0.385 -0.0109 -0.32 -0.6056 -0.9705 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M02 compound treatment 0.564 0.086 2.7 0.486 0.0901 2.67 3.8007 1.0 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M03 compound treatment 0.461 -0.017 -0.53 0.401 0.00514 0.15 -0.2703 -0.4864 3559679 ACon1_002419 COC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]3(C[C@H]4CC[C@H]32)[C@@H](O)C4=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M04 compound treatment 0.508 0.03 0.94 0.429 0.0331 0.98 1.3613 0.9998 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M05 compound treatment 0.455 -0.023 -0.72 0.382 -0.0139 -0.41 -0.8018 -0.9641 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M06 compound treatment 0.473 -0.005 -0.16 0.394 -0.00186 -0.06 -0.1502 -0.9014 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M07 compound treatment 0.51 0.032 1.01 0.445 0.0491 1.46 1.7411 0.9837 3616668 ACon1_002423 CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@H](OC)[C@@H](OC(=O)N)/C(=C/[C@H](C)[C@H]1O)/C)/C)C2=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M08 compound treatment 0.504 0.026 0.82 0.434 0.0381 1.13 1.3772 0.9874 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M09 mock treatment 0.488 0.01 0.31 0.406 0.0101 0.3 0.4348 0.9997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M10 mock treatment 0.468 -0.01 -0.31 0.397 0.00114 0.03 -0.1985 -0.6277 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M11 compound treatment 0.514 0.036 1.13 0.426 0.0301 0.89 1.4319 0.9931 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M12 compound treatment 0.487 0.009 0.28 0.413 0.0171 0.51 0.5592 0.9619 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M13 mock treatment 0.486 0.008 0.25 0.391 -0.00486 -0.14 0.076 0.2622 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M14 mock treatment 0.488 0.01 0.31 0.393 -0.00286 -0.08 0.1624 0.4986 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M15 compound treatment 0.507 0.029 0.91 0.419 0.0231 0.69 1.1296 0.9901 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M16 compound treatment 0.487 0.009 0.28 0.415 0.0191 0.57 0.6011 0.9484 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M17 compound treatment 0.504 0.026 0.82 0.414 0.0181 0.54 0.9581 0.9793 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M18 compound treatment 0.49 0.012 0.38 0.404 0.00814 0.24 0.4373 0.9766 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M19 compound treatment 0.493 0.015 0.47 0.403 0.00714 0.21 0.4831 0.9345 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M20 compound treatment 0.49 0.012 0.38 0.401 0.00514 0.15 0.3745 0.9203 3616682 ACon1_002432 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C5C6C7C5C(C7C(O)(C(=O)OCc8cccc(O)c8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)C64)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M21 compound treatment 0.491 0.013 0.41 0.412 0.0161 0.48 0.6272 0.997 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M22 compound treatment 0.489 0.011 0.35 0.413 0.0171 0.51 0.6037 0.9825 3616684 ACon1_002434 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M23 compound treatment 0.487 0.009 0.28 0.411 0.0151 0.45 0.5173 0.9753 3559395 ACon1_002435 C/C=C\1/[C@H](CC(=O)OCCc2ccc(O)cc2)C(=CO[C@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 M24 compound treatment 0.514 0.036 1.13 0.429 0.0331 0.98 1.4947 0.9975 3559231 ACon1_002436 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N01 compound treatment 0.508 0.03 0.94 0.437 0.0411 1.22 1.529 0.992 2090630 ACon1_002437 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(OC6OC(C)C(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N02 mock treatment 0.473 -0.005 -0.16 0.392 -0.00386 -0.11 -0.1921 -0.9878 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N03 compound treatment 0.468 -0.01 -0.31 0.401 0.00514 0.15 -0.1147 -0.3283 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N04 mock treatment 0.464 -0.014 -0.44 0.397 0.00114 0.03 -0.2874 -0.651 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N05 compound treatment 0.462 -0.016 -0.5 0.391 -0.00486 -0.14 -0.4576 -0.8745 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N06 mock treatment 0.473 -0.005 -0.16 0.387 -0.00886 -0.26 -0.2969 -0.9699 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N07 compound treatment 0.494 0.016 0.5 0.438 0.0421 1.25 1.2386 0.9201 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N08 mock treatment 0.481 0.003 0.09 0.384 -0.0119 -0.35 -0.1818 -0.4997 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N09 mock treatment 0.468 -0.01 -0.31 0.385 -0.0109 -0.32 -0.4499 -0.9999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N10 mock treatment 0.476 -0.002 -0.06 0.394 -0.00186 -0.06 -0.0835 -0.9979 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N11 compound treatment 0.479 0.001 0.03 0.396 1.38E-4 0.0 0.0251 0.7924 3616692 ACon1_002441 CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H]5C(=C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C6=CC(=O)OC6)O[C@@H](C)[C@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N12 mock treatment 0.474 -0.004 -0.13 0.405 0.00914 0.27 0.1025 0.3434 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N13 mock treatment 0.461 -0.017 -0.53 0.394 -0.00186 -0.06 -0.417 -0.776 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N14 mock treatment 0.465 -0.013 -0.41 0.386 -0.00986 -0.29 -0.4957 -0.9865 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N15 compound treatment 0.52 0.042 1.32 0.425 0.0291 0.86 1.5443 0.9788 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N16 mock treatment 0.468 -0.01 -0.31 0.394 -0.00186 -0.06 -0.2614 -0.8187 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N17 compound treatment 0.478 0.0 0.0 0.403 0.00714 0.21 0.1496 0.7071 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N18 mock treatment 0.478 0.0 0.0 0.402 0.00614 0.18 0.1286 0.7071 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N19 compound treatment 0.498 0.02 0.63 0.433 0.0371 1.1 1.2228 0.9648 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N20 mock treatment 0.485 0.007 0.22 0.4 0.00414 0.12 0.2423 0.9618 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N21 compound treatment 0.469 -0.009 -0.28 0.39 -0.00586 -0.17 -0.3229 -0.9725 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N22 mock treatment 0.471 -0.007 -0.22 0.398 0.00214 0.06 -0.1108 -0.4839 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N23 mock treatment 0.491 0.013 0.41 0.423 0.0271 0.8 0.8577 0.9508 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 N24 mock treatment 0.514 0.036 1.13 0.425 0.0291 0.86 1.4109 0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O01 compound treatment 0.527 0.049 1.54 0.456 0.0601 1.78 2.3495 0.9974 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O02 compound treatment 0.487 0.009 0.28 0.399 0.00314 0.09 0.2659 0.8925 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O03 compound treatment 0.524 0.046 1.45 0.453 0.0571 1.69 2.22 0.9969 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O04 compound treatment 0.492 0.014 0.44 0.425 0.0291 0.86 0.9218 0.9511 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O05 compound treatment 0.548 0.07 2.2 0.482 0.0861 2.55 3.3612 0.9973 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O06 compound treatment 0.482 0.004 0.13 0.407 0.0111 0.33 0.3223 0.9126 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O07 compound treatment 0.495 0.017 0.53 0.409 0.0131 0.39 0.6533 0.9879 3559619 ACon1_002452 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O08 compound treatment 0.533 0.055 1.73 0.456 0.0601 1.78 2.4829 0.9999 3557500 ACon1_002453 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/CC/C=C(\CO)/C[C@H]2O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O09 compound treatment 0.502 0.024 0.75 0.414 0.0181 0.54 0.9137 0.9862 3553872 ACon1_002454 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)C=C54)c6ccoc6 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O10 compound treatment 0.494 0.016 0.5 0.411 0.0151 0.45 0.6729 0.9984 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O11 mock treatment 0.49 0.012 0.38 0.417 0.0211 0.63 0.7097 0.9706 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O12 mock treatment 0.495 0.017 0.53 0.412 0.0161 0.48 0.7161 0.9985 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O13 compound treatment 0.527 0.049 1.54 0.436 0.0401 1.19 1.9305 0.9918 3554856 ACon1_002456 COc1cc(C=C)cc2c(=O)oc3c(cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@@H]([C@H]5O)N(C)C)c34)c12 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O14 compound treatment 0.516 0.038 1.19 0.427 0.0311 0.92 1.4973 0.9918 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O15 compound treatment 0.516 0.038 1.19 0.424 0.0281 0.83 1.4345 0.9845 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O16 compound treatment 0.503 0.025 0.79 0.413 0.0171 0.51 0.9149 0.9776 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O17 compound treatment 0.518 0.04 1.26 0.424 0.0281 0.83 1.4789 0.9801 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O18 compound treatment 0.53 0.052 1.64 0.433 0.0371 1.1 1.9343 0.9814 3616699 ACon1_002461 CC(=O)O[C@@]1(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]3[C@@H]1C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O19 compound treatment 0.515 0.037 1.16 0.428 0.0321 0.95 1.496 0.9951 3559916 ACon1_002462 CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O20 compound treatment 0.52 0.042 1.32 0.427 0.0311 0.92 1.5862 0.9846 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O21 compound treatment 0.491 0.013 0.41 0.417 0.0211 0.63 0.7319 0.9786 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O22 compound treatment 0.515 0.037 1.16 0.443 0.0471 1.4 1.8103 0.9959 3558536 ACon1_002465 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)C(O)C(O)C1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O23 compound treatment 0.517 0.039 1.23 0.432 0.0361 1.07 1.6243 0.9977 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 O24 compound treatment 0.503 0.025 0.79 0.438 0.0421 1.25 1.4388 0.9751 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P01 compound treatment 0.535 0.057 1.79 0.449 0.0531 1.57 2.3807 0.9979 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P02 mock treatment 0.5 0.022 0.69 0.426 0.0301 0.89 1.1206 0.992 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P03 compound treatment 0.496 0.018 0.57 0.41 0.0141 0.42 0.6964 0.989 3616713 ACon1_002469 COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C[C@]54O[C@@H]6C([C@@]2(O)C[C@@]1(C)[C@@H]6O)[C@@]35O)c7ccoc7 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P04 mock treatment 0.532 0.054 1.7 0.435 0.0391 1.16 2.0207 0.9827 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P05 compound treatment 0.513 0.035 1.1 0.437 0.0411 1.22 1.6401 0.9987 3616715 ACon1_002470 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3coc4c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P06 mock treatment 0.509 0.031 0.97 0.426 0.0301 0.89 1.3207 0.999 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P07 compound treatment 0.508 0.03 0.94 0.425 0.0291 0.86 1.2775 0.999 3616718 ACon1_002471 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P08 mock treatment 0.511 0.033 1.04 0.434 0.0381 1.13 1.5328 0.9991 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P09 compound treatment 0.516 0.038 1.19 0.437 0.0411 1.22 1.7068 1.0 3616720 ACon1_002472 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P10 mock treatment 0.524 0.046 1.45 0.433 0.0371 1.1 1.8009 0.9909 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P11 mock treatment 0.499 0.021 0.66 0.428 0.0321 0.95 1.1403 0.984 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P12 mock treatment 0.525 0.047 1.48 0.42 0.0241 0.72 1.5507 0.9445 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P13 compound treatment 0.502 0.024 0.75 0.426 0.0301 0.89 1.1651 0.9965 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P14 mock treatment 0.505 0.027 0.85 0.431 0.0351 1.04 1.3365 0.9949 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P15 compound treatment 0.531 0.053 1.67 0.433 0.0371 1.1 1.9565 0.9797 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P16 mock treatment 0.509 0.031 0.97 0.432 0.0361 1.07 1.4464 0.9989 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P17 compound treatment 0.523 0.045 1.41 0.441 0.0451 1.34 1.9463 0.9996 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P18 mock treatment 0.523 0.045 1.41 0.416 0.0201 0.6 1.4225 0.9263 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P19 compound treatment 0.531 0.053 1.67 0.438 0.0421 1.25 2.0613 0.9899 3554138 ACon1_002476 CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](C)C[C@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)CC)C1=C 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P20 mock treatment 0.518 0.04 1.26 0.425 0.0291 0.86 1.4999 0.9832 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P21 compound treatment 0.514 0.036 1.13 0.424 0.0281 0.83 1.39 0.9887 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P22 mock treatment 0.514 0.036 1.13 0.425 0.0291 0.86 1.4109 0.9911 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P23 mock treatment 0.536 0.058 1.82 0.436 0.0401 1.19 2.1306 0.9785 1048.0005 EnzCoupledColor(1048.0005) BMPSMADScreen 1048.0005.2297 P24 mock treatment 0.544 0.066 2.08 0.47 0.0741 2.2 3.0208 0.9996