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 RAW_VALUE_C BSUB_VALUE_C Z_SCORE_C COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A01 compound treatment -0.928 -0.799 -1.14 -0.406 -0.335 -0.66 -0.122 -0.071938564026647 -0.138555629711813 -1.1169 -0.8456 1205993 ChemDiv3_000001 Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A02 compound treatment -3.028 -2.9 -4.12 -0.443 -0.372 -0.73 -2.77 -2.71993856402665 -5.23867560626538 -5.8275 -0.869 1044707 ChemDiv3_000002 OC(=O)c1ccccc1C(=O)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A03 compound treatment -1.262 -1.13 -1.61 -0.533 -0.462 -0.91 -0.453 -0.402938564026647 -0.776070626781008 -1.9039 -0.9489 1699093 ChemDiv3_000003 Cc1ccc(Nc2ccc3ncnc4-c5ccccc5C(=O)c2c43)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A04 compound treatment -1.06 -0.931 -1.32 -1.027 -0.956 -1.89 -1.937 -1.88693856402665 -3.63429496409426 -3.9515 -0.9182 3117569 ChemDiv3_000004 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A05 compound treatment -1.202 -1.07 -1.52 -1.117 -1.05 -2.06 -2.213 -2.16293856402665 -4.16587846618217 -4.4776 -0.9151 1561677 ChemDiv3_000005 CCOC(=O)c1c(O)nc2c3ccccc3oc2c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A06 compound treatment -1.079 -0.95 -1.35 -0.377 -0.306 -0.6 -0.877 -0.826938564026647 -1.59270615172765 -2.0474 -0.942 3117570 ChemDiv3_000006 CN(C)C(=O)C[n+]1ccc(/C=N/O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A07 compound treatment -0.952 -0.823 -1.17 0.052 0.123 0.24 -0.976 -0.925938564026647 -1.78338284269397 -1.5642 -0.7287 1166193 ChemDiv3_000007 CCCC1CCC(CC1)c2ccc(cc2)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A08 compound treatment 0.128 0.257 0.37 0.111 0.182 0.36 -0.204 -0.153938564026647 -0.296489858593003 0.2481 0.4184 3019825 ChemDiv3_000008 C(c1ccccc1)[n+]2ccc(cc2)c3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A09 compound treatment -0.117 0.0124 0.02 -0.436 -0.365 -0.72 0.138 0.188061435973353 0.36221143747245 -0.1963 -0.2435 1640201 ChemDiv3_000009 CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A10 compound treatment -1.427 -1.3 -1.84 -2.721 -2.65 -5.23 -1.697 -1.64693856402665 -3.17204844053956 -5.917 -0.9259 1305993 ChemDiv3_000010 Cc1sc(N)nc1C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A11 compound treatment -0.164 -0.0346 -0.05 0.125 0.196 0.39 0.117 0.167061435973353 0.321764866661413 0.3813 0.7531 3019826 ChemDiv3_000011 CCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CC)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A12 compound treatment 0.136 0.265 0.38 -0.155 -0.0836 -0.16 0.16 0.210061435973353 0.404584035464964 0.3562 0.617 1005107 ChemDiv3_000012 CC(C)(C)C(=O)C[n+]1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A13 compound treatment 0.662 0.791 1.13 0.393 0.464 0.92 0.414 0.464061435973353 0.893794939560359 1.6951 0.9944 1917998 ChemDiv3_000013 CN(C)c1ccc(cc1)c2n(C)c3ccccc3[n+]2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A14 compound treatment -0.831 -0.702 -1.0 -0.224 -0.153 -0.3 -0.44 -0.389938564026647 -0.751032273421795 -1.1834 -0.9214 3117571 ChemDiv3_000014 O/N=C/c1cc[n+](C/C=C\c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A15 compound treatment -1.094 -0.965 -1.37 -0.314 -0.243 -0.48 -0.688 -0.637938564026647 -1.22868701442832 -1.7777 -0.9344 1511477 ChemDiv3_000015 Cc1ccc(cc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A16 compound treatment -0.645 -0.516 -0.73 -0.661 -0.59 -1.16 -1.71 -1.65993856402665 -3.19708679389877 -2.9412 -0.845 1463254 ChemDiv3_000016 C(CN1CCOCC1)Oc2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A17 compound treatment -0.25 -0.121 -0.17 -0.2 -0.129 -0.25 -0.463 -0.412938564026647 -0.795330898595787 -0.7047 -0.8269 1289110 ChemDiv3_000017 N#CC(=c1ccc(=C(C#N)c2ccc(cc2)N3CCCC3)cc1)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A18 compound treatment -1.486 -1.36 -1.93 -0.889 -0.818 -1.61 -0.688 -0.637938564026647 -1.22868701442832 -2.755 -0.9842 1594677 ChemDiv3_000018 CC(C)CN(CC(C)C)Cn1c(=O)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A19 compound treatment -0.761 -0.632 -0.9 -0.327 -0.256 -0.5 -0.529 -0.478938564026647 -0.922448692573331 -1.3424 -0.9708 1914297 ChemDiv3_000019 COc1ccc(/C=N/n2cnnc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A20 compound treatment 0.08 0.209 0.3 -0.377 -0.306 -0.6 -0.061 -0.010938564026647 -0.0210679716416588 -0.1886 -0.2802 1550111 ChemDiv3_000020 CC(C)C1CCC(C)C(C(O)c2ccc(cc2)c3ccccc3)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A21 compound treatment -0.364 -0.235 -0.33 0.346 0.417 0.82 0.012 0.062061435973353 0.11953201260623 0.3523 0.3927 3019827 ChemDiv3_000021 CN(C)c1ccc(/C=C/C=C/c2cc[n+](C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A22 compound treatment -0.071 0.0584 0.08 -0.191 -0.12 -0.24 0.008 0.058061435973353 0.111827903880318 -0.0238 -0.0868 1470588 ChemDiv3_000022 Fc1ccccc1C(=O)Oc2cccc(OC(=O)c3ccccc3F)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A23 mock treatment -0.19 -0.0606 -0.09 0.31 0.381 0.75 0.128 0.178061435973353 0.34295116565767 0.5831 0.7008 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 A24 mock treatment -0.264 -0.135 -0.19 0.085 0.156 0.31 0.211 0.261061435973353 0.502811421720339 0.3582 0.5773 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B01 compound treatment 0.3 0.429 0.61 0.429 0.5 0.99 0.367 0.417061435973353 0.803271662030896 1.3867 0.982 3117572 ChemDiv3_000023 COc1ccc(/C=N/c2ccc(OCC(O)CN3C(C)CCCC3C)cc2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B02 compound treatment -1.16 -1.03 -1.47 -0.484 -0.413 -0.81 -0.5 -0.449938564026647 -0.866593904310471 -1.8166 -0.9626 1476169 ChemDiv3_000024 CC(C)(C)NC(=O)C1(CC2CC3C1)CC(C2)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B03 compound treatment -0.94 -0.811 -1.15 0.66 0.731 1.44 -1.075 -1.02493856402665 -1.97405953366028 -0.9713 -0.3592 1164812 ChemDiv3_000025 O(c1ccccc1)c2cccc(Oc3ccccc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B04 compound treatment -0.765 -0.636 -0.9 -0.371 -0.3 -0.59 -0.825 -0.774938564026647 -1.4925527382908 -1.725 -0.9363 3019828 ChemDiv3_000026 Brc1ccc(/C=N/C2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B05 compound treatment -0.689 -0.56 -0.8 -0.819 -0.748 -1.48 -1.038 -0.987938564026647 -1.9027965279456 -2.4101 -0.9503 2083946 ChemDiv3_000027 O=C(/C=C/c1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B06 compound treatment -1.0 -0.871 -1.24 -0.632 -0.561 -1.11 -0.464 -0.413938564026647 -0.797256925777265 -1.814 -0.9848 3117574 ChemDiv3_000028 CC1(CC2(C)CC3(C)C1)CC(C/N=C/c4ccc(O)cc4)(C2)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B07 compound treatment -1.388 -1.26 -1.79 -0.674 -0.603 -1.19 -0.25 -0.199938564026647 -0.385087108940988 -1.9424 -0.8897 1666537 ChemDiv3_000029 COC(=O)NCC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B08 compound treatment -0.962 -0.833 -1.18 -0.421 -0.35 -0.69 -0.671 -0.620938564026647 -1.1959445523432 -1.7724 -0.9745 1021487 ChemDiv3_000030 C1CN(CCN1c2ccccn2)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B09 compound treatment -1.809 -1.68 -2.39 -0.589 -0.518 -1.02 -1.413 -1.36293856402665 -2.62505672099982 -3.4843 -0.9435 3019829 ChemDiv3_000031 COc1ccc(/C=N/c2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B10 compound treatment -1.659 -1.53 -2.17 -0.424 -0.353 -0.7 -1.122 -1.07193856402665 -2.06458281118974 -2.8495 -0.9256 1699181 ChemDiv3_000032 Cc1c(NC(=O)c2ccccc2)c(=O)n(c3ccccc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B11 compound treatment 0.193 0.322 0.46 0.079 0.15 0.3 0.108 0.158061435973353 0.304430622028112 0.6119 0.9785 3019830 ChemDiv3_000033 CC(C)Cc1ccc(cc1)C(C)C(=O)NC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B12 compound treatment 0.045 0.174 0.25 0.133 0.204 0.4 0.132 0.182061435973353 0.350655274383582 0.5787 0.9818 3117575 ChemDiv3_000034 COc1ccc(/C=C/2\CC/C(=C\c3ccc(C)cc3)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B13 compound treatment -1.487 -1.36 -1.93 -0.705 -0.634 -1.25 -0.579 -0.528938564026647 -1.01875005164723 -2.4248 -0.9639 1119180 ChemDiv3_000035 CNC(=O)c1ccc(Oc2ccc(cc2)C(=O)NC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B14 compound treatment -0.849 -0.72 -1.02 -0.919 -0.848 -1.67 -0.736 -0.685938564026647 -1.32113631913926 -2.3197 -0.9809 1616129 ChemDiv3_000036 CC(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c4ccc(Oc5ccc(C)c(C)c5)cc4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B15 compound treatment -0.507 -0.378 -0.54 -0.204 -0.133 -0.26 -0.338 -0.287938564026647 -0.554577500911046 -0.7813 -0.9586 1336672 ChemDiv3_000037 O=C(Nc1cc(=O)c2ccccc2o1)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B16 compound treatment -1.6 -1.47 -2.09 -0.5 -0.429 -0.85 -1.429 -1.37893856402665 -2.65587315590347 -3.2291 -0.9267 3117576 ChemDiv3_000038 CC[n+]1ccc(C)c2cc(ccc12)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B17 compound treatment -3.581 -3.45 -4.91 -3.204 -3.13 -6.19 -3.89 -3.83993856402665 -7.39582604952066 -10.6744 -0.9867 3019831 ChemDiv3_000039 NNC(=S)NC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B18 compound treatment -0.822 -0.693 -0.98 -0.593 -0.522 -1.03 -0.782 -0.731938564026647 -1.40973356948725 -1.977 -0.9863 1270265 ChemDiv3_000040 Clc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B19 compound treatment -1.06 -0.931 -1.32 -0.468 -0.397 -0.78 0.043 0.093061435973353 0.179238855232046 -1.1125 -0.7187 3117577 ChemDiv3_000041 Cc1cc(nc2ccc3ccccc3c12)c4ccc5ccccc5n4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B20 compound treatment -1.397 -1.27 -1.8 -0.491 -0.42 -0.83 -0.889 -0.838938564026647 -1.61581847790539 -2.4517 -0.9583 1591919 ChemDiv3_000042 CNc1ccc(cc1)S(=O)(=O)c2ccc(NC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B21 compound treatment -2.354 -2.22 -3.16 -0.673 -0.602 -1.19 -1.56 -1.50993856402665 -2.90818271667708 -4.1909 -0.9401 3117578 ChemDiv3_000043 O=C(C1=C(C(=O)c2ccccc2C1=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B22 compound treatment -1.648 -1.52 -2.16 0.321 0.392 0.77 -0.675 -0.624938564026647 -1.20364866106911 -1.4941 -0.5768 1583295 ChemDiv3_000044 Brc1ccc(OC(=O)c2cccnc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B23 mock treatment -0.284 -0.155 -0.22 -0.136 -0.0646 -0.13 0.075 0.125061435973353 0.24087172503934 -0.0614 -0.1755 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 B24 mock treatment 0.154 0.283 0.4 -0.9 -0.829 -1.64 -0.195 -0.144938564026647 -0.279155613959702 -0.8731 -0.5112 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C01 compound treatment -0.525 -0.396 -0.56 -0.578 -0.507 -1.0 -0.817 -0.766938564026647 -1.47714452083898 -1.755 -0.9383 3019835 ChemDiv3_000045 Cc1ccn(CN2CCN(Cn3ccc(C)n3)C2=S)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C02 compound treatment -1.046 -0.917 -1.3 -0.348 -0.277 -0.55 -1.014 -0.963938564026647 -1.85657187559013 -2.1396 -0.917 1183514 ChemDiv3_000046 CC(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C03 compound treatment -0.908 -0.779 -1.11 -0.792 -0.721 -1.42 -1.083 -1.03293856402665 -1.9894677511121 -2.6092 -0.9719 1699403 ChemDiv3_000047 O=C(NC1(CCC(=O)O1)C(=O)OCc2ccccc2)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C04 compound treatment -0.015 0.114 0.16 -0.296 -0.225 -0.44 0.157 0.207061435973353 0.39880595392053 0.0682 0.1103 3019836 ChemDiv3_000048 COc1ccc(NC(=S)C)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C05 compound treatment -0.56 -0.431 -0.61 -0.162 -0.0906 -0.18 0.022 0.072061435973353 0.138792284421009 -0.3766 -0.5769 3019837 ChemDiv3_000049 Clc1ccc(OC(=O)c2ccc(Br)cc2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C06 compound treatment -1.092 -0.963 -1.37 0.082 0.153 0.3 -0.507 -0.456938564026647 -0.880076094580816 -1.1234 -0.6787 3117579 ChemDiv3_000050 CC(C)N(C(C)C)C(=O)C[n+]1ccc(/C=N/O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C07 compound treatment -0.742 -0.613 -0.87 -0.623 -0.552 -1.09 -0.442 -0.391938564026647 -0.754884327784751 -1.5675 -0.9885 1112119 ChemDiv3_000051 CC(=O)Oc1ccc(cc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C08 compound treatment 0.747 0.876 1.25 -0.191 -0.12 -0.24 0.1 0.150061435973353 0.289022404576288 0.75 0.5766 1921020 ChemDiv3_000052 CC[n+]1cccc(c1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C09 compound treatment 0.051 0.18 0.26 0.908 0.979 1.93 1.27 1.32006143597335 2.25205404633181 2.5649 0.8608 1233273 ChemDiv3_000053 CCN1CCN(CC1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C10 compound treatment -0.07 0.0594 0.08 -0.318 -0.247 -0.49 0.194 0.244061435973353 0.470068959635214 0.0391 0.0573 3019838 ChemDiv3_000054 NC(=O)N1CCc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C11 compound treatment -1.75 -1.62 -2.3 -1.344 -1.27 -2.51 -0.116 -0.065938564026647 -0.126999466622945 -2.8543 -0.8367 1021994 ChemDiv3_000055 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C12 compound treatment -0.576 -0.447 -0.63 -0.269 -0.198 -0.39 0.171 0.221061435973353 0.425770334461221 -0.346 -0.4031 3019839 ChemDiv3_000056 CC(C)(C)OC(=O)C[n+]1cccc(c1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C13 compound treatment -0.417 -0.288 -0.41 -0.081 -0.00956 -0.02 -0.36 -0.309938564026647 -0.59695009890356 -0.5916 -0.8174 3117584 ChemDiv3_000057 O=C1CN(C(=O)N1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C14 compound treatment -0.586 -0.457 -0.65 0.063 0.134 0.27 -0.294 -0.243938564026647 -0.469832304926017 -0.4928 -0.5838 3019840 ChemDiv3_000058 O/N=C/c1cc[n+](CC(=O)N2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C15 compound treatment -1.022 -0.893 -1.27 -0.879 -0.808 -1.59 -1.167 -1.11693856402665 -2.15125403435625 -2.8953 -0.9771 1320550 ChemDiv3_000059 COC(=O)CCS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)CCC(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C16 compound treatment -0.968 -0.839 -1.19 -0.986 -0.915 -1.81 0.038 0.088061435973353 0.169608719324656 -1.633 -0.7524 1778026 ChemDiv3_000060 OCc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C17 compound treatment -1.053 -0.924 -1.31 -0.684 -0.613 -1.21 -0.744 -0.693938564026647 -1.33654453659109 -2.2281 -0.9991 3019841 ChemDiv3_000061 Cc1ccc(cc1)C(=O)C2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C18 compound treatment -0.867 -0.738 -1.05 -0.633 -0.562 -1.11 -1.282 -1.23193856402665 -2.37274716022621 -2.6155 -0.9271 1353751 ChemDiv3_000062 Clc1cccc(NCn2c(=O)oc3ccccc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C19 compound treatment -1.629 -1.5 -2.13 -1.587 -1.52 -2.99 -1.246 -1.19593856402665 -2.30341018169301 -4.2886 -0.9889 1912422 ChemDiv3_000063 CCc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C20 compound treatment -1.371 -1.24 -1.77 -0.8 -0.729 -1.44 -0.797 -0.746938564026647 -1.43862397720942 -2.6803 -0.9951 1318161 ChemDiv3_000064 C(N1CCOCCN(Cc2ccccc2)CCOCC1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C21 compound treatment -0.217 -0.0876 -0.12 -0.591 -0.52 -1.03 0.122 0.172061435973353 0.331395002568803 -0.4729 -0.4357 1038768 ChemDiv3_000065 CCN(CC)c1ccc2c(C)cc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C22 compound treatment -0.268 -0.139 -0.2 -0.325 -0.254 -0.5 0.238 0.288061435973353 0.554814155620243 -0.0825 -0.1067 3019842 ChemDiv3_000066 O=C(Oc1ccc(cc1)c2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C23 mock treatment 0.377 0.506 0.72 0.076 0.147 0.29 0.0 0.050061435973353 0.096419686428495 0.6394 0.8171 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 C24 mock treatment 0.031 0.16 0.23 0.188 0.259 0.51 0.0 0.050061435973353 0.096419686428495 0.4831 0.8491 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D01 compound treatment -0.436 -0.307 -0.44 -0.934 -0.863 -1.7 -0.985 -0.934938564026647 -1.80071708732727 -2.2746 -0.9038 3117585 ChemDiv3_000067 C(Sc1nnnn1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D02 compound treatment -1.071 -0.942 -1.34 -0.816 -0.745 -1.47 -0.487 -0.436938564026647 -0.841555550951258 -2.1076 -0.9761 3117586 ChemDiv3_000068 CC(C)(C)C(/C=C/c1ccc(Cl)cc1Cl)n2nnnc2C(C)(C)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D03 compound treatment -0.982 -0.853 -1.21 -0.221 -0.15 -0.3 -0.935 -0.884938564026647 -1.70441572825337 -1.8544 -0.8779 1053376 ChemDiv3_000069 OC(=O)C1C(C(C1c2ccccc2)C(=O)O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D04 compound treatment -1.053 -0.924 -1.31 -1.191 -1.12 -2.21 -0.548 -0.497938564026647 -0.959043209021412 -2.5881 -0.9431 3117587 ChemDiv3_000070 O=C(/C=C/N1C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D05 compound treatment -1.183 -1.05 -1.5 -0.493 -0.422 -0.83 -0.227 -0.176938564026647 -0.340788483766996 -1.5422 -0.8826 3019843 ChemDiv3_000071 c1cncc(c1)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D06 compound treatment -0.132 -0.00259 0.0 -0.816 -0.745 -1.47 -0.403 -0.352938564026647 -0.679769267707112 -1.2434 -0.7677 1343691 ChemDiv3_000072 CCN(C)CC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D07 compound treatment -0.746 -0.617 -0.88 -0.306 -0.235 -0.46 -0.342 -0.291938564026647 -0.562281609636958 -1.0982 -0.9635 1187732 ChemDiv3_000073 COC(=O)NC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D08 compound treatment -3.385 -3.26 -4.63 -3.22 -3.15 -6.22 -0.792 -0.741938564026647 -1.42899384130203 -7.0867 -0.8992 1355186 ChemDiv3_000074 Nc1ccc(Sc2ccc3ccccc3c2Cl)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D09 compound treatment 0.291 0.42 0.6 -1.185 -1.11 -2.2 -2.069 -2.01893856402665 -3.88853055204935 -3.1694 -0.7032 1016949 ChemDiv3_000075 NC(=N)NC(=N)NCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D10 compound treatment -0.161 -0.0316 -0.04 -0.72 -0.649 -1.28 -0.039 0.011061435973353 0.0213046263508557 -0.753 -0.5876 1392304 ChemDiv3_000076 Clc1ccc(cc1)c2nnc(o2)C3CCC(CC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D11 compound treatment 0.2 0.329 0.47 0.067 0.138 0.27 0.128 0.178061435973353 0.34295116565767 0.6262 0.976 1388409 ChemDiv3_000077 S=c1sc2ccccc2n1CN3CCN(Cc4ccccc4)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D12 compound treatment -0.414 -0.285 -0.4 0.042 0.113 0.22 0.182 0.232061435973353 0.446956633457479 0.1538 0.2391 3117588 ChemDiv3_000078 COc1ccc(/C=C/2\CC/C(=C\c3ccc(Cl)cc3)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D13 compound treatment -0.172 -0.0426 -0.06 -1.078 -1.01 -1.99 -1.8 -1.74993856402665 -3.37042924023178 -3.1283 -0.7994 1025986 ChemDiv3_000079 Cc1ccccc1NC(=O)c2cc3ccccc3cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D14 compound treatment -0.857 -0.728 -1.03 -1.317 -1.25 -2.46 -0.906 -0.855938564026647 -1.64856093999051 -2.969 -0.9466 1513086 ChemDiv3_000080 O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D15 compound treatment -0.537 -0.408 -0.58 -0.132 -0.0606 -0.12 -0.611 -0.560938564026647 -1.08038292145452 -1.0274 -0.834 1550944 ChemDiv3_000081 O=C(N1CC(CC1=O)c2ccccc2)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D16 compound treatment -1.073 -0.944 -1.34 -0.554 -0.483 -0.95 -0.333 -0.282938564026647 -0.544947365003656 -1.6393 -0.9457 1432699 ChemDiv3_000082 CCOC(=O)c1cccc(n1)C(=O)Nc2nc3ccc(OC)cc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D17 compound treatment -0.759 -0.63 -0.9 -0.582 -0.511 -1.01 -0.567 -0.516938564026647 -0.995637725469492 -1.6737 -0.9986 1601789 ChemDiv3_000083 Cc1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D18 compound treatment -0.098 0.0314 0.04 -0.286 -0.215 -0.42 -0.478 -0.427938564026647 -0.824221306317956 -0.6947 -0.7487 3019844 ChemDiv3_000084 CC(C)OC(=O)n1c(=S)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D19 compound treatment -0.505 -0.376 -0.53 -0.009 0.0624 0.12 -0.153 -0.102938564026647 -0.198262472337629 -0.3516 -0.6033 1581559 ChemDiv3_000085 O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D20 compound treatment -1.538 -1.41 -2.0 -0.496 -0.425 -0.84 0.232 0.282061435973353 0.543257992531375 -1.3266 -0.5928 3117589 ChemDiv3_000086 O=S(=O)(/C=C/c1ccccc1)N2C=Cc3ccccc3C2c4c[nH]c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D21 compound treatment 0.337 0.466 0.66 -2.241 -2.17 -4.28 -1.835 -1.78493856402665 -3.43784019158351 -4.0753 -0.7366 1529969 ChemDiv3_000087 Nc1nnc(s1)C(=O)c2ccccc2N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D22 compound treatment -0.707 -0.578 -0.82 -0.776 -0.705 -1.39 0.111 0.161061435973353 0.310208703572545 -1.0982 -0.6676 1119404 ChemDiv3_000088 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccnc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D23 mock treatment 0.161 0.29 0.41 0.38 0.451 0.89 -0.014 0.036061435973353 0.069455305887804 0.7931 0.8054 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 D24 mock treatment 0.031 0.16 0.23 0.141 0.212 0.42 0.0 0.050061435973353 0.096419686428495 0.4295 0.8818 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E01 compound treatment 0.377 0.506 0.72 0.44 0.511 1.01 0.222 0.272061435973353 0.523997720716596 1.3013 0.9665 3019845 ChemDiv3_000089 C1OC(OCC2OC(OC12)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E02 compound treatment -2.391 -2.26 -3.22 -0.067 0.00444 0.01 -2.671 -2.62093856402665 -5.04799891529906 -4.7659 -0.7963 1616713 ChemDiv3_000090 CCCOc1ccc(N)cc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E03 compound treatment -0.562 -0.433 -0.62 -0.194 -0.123 -0.24 -0.152 -0.101938564026647 -0.196336445156151 -0.6082 -0.8821 3117590 ChemDiv3_000091 COc1ccc(cc1OC)C(=O)CN2Cc3ccccc3C2=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E04 compound treatment -0.46 -0.331 -0.47 -0.271 -0.2 -0.39 -2.165 -2.11493856402665 -4.07342916147123 -2.8507 -0.692 3019846 ChemDiv3_000092 COc1ccc(NC(=O)C)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E05 compound treatment -1.073 -0.944 -1.34 -0.794 -0.723 -1.43 -1.106 -1.05593856402665 -2.0337663762861 -2.7725 -0.982 3019847 ChemDiv3_000093 Nc1nc(cc[n+]1[O-])c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E06 compound treatment -1.729 -1.6 -2.27 -0.302 -0.231 -0.46 -0.942 -0.891938564026647 -1.71789791852372 -2.5677 -0.8896 3117591 ChemDiv3_000094 O/N=C/c1cc[n+](CC(=O)NC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E07 compound treatment -0.775 -0.646 -0.92 -0.389 -0.318 -0.63 -0.741 -0.690938564026647 -1.33076645504665 -1.6603 -0.9575 1701731 ChemDiv3_000095 CCc1ccc(cc1)C(=O)Oc2ccc(C#N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E08 compound treatment 0.0 0.129 0.18 -0.187 -0.116 -0.23 -0.509 -0.458938564026647 -0.883928148943772 -0.5358 -0.5754 1069596 ChemDiv3_000096 COC(=O)N1C(C=Cc2ccccc12)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E09 compound treatment 0.291 0.42 0.6 0.093 0.164 0.32 -0.022 0.028061435973353 0.0540470884359805 0.5638 0.8262 3019848 ChemDiv3_000097 N/N=C/c1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E10 compound treatment -0.071 0.0584 0.08 -0.052 0.0194 0.04 -0.517 -0.466938564026647 -0.899336366395596 -0.4491 -0.4968 3117592 ChemDiv3_000098 CN1CCN(CC1)C(=O)/C=C(/C)\C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E11 compound treatment -0.17 -0.0406 -0.06 -1.228 -1.16 -2.28 -1.427 -1.37693856402665 -2.65202110154051 -2.8829 -0.8236 1026004 ChemDiv3_000099 COc1ccc2ccccc2c1c3c(OC)ccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E12 compound treatment -0.208 -0.0786 -0.11 -0.125 -0.0536 -0.11 -0.058 -0.00793856402664701 -0.015289890097225 -0.1344 -0.8693 3019849 ChemDiv3_000100 CC(C)(C)C(=O)C[n+]1cccc(c1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E13 compound treatment -0.209 -0.0796 -0.11 0.091 0.162 0.32 -0.008 0.042061435973353 0.0810114689766716 0.1666 0.4766 1049039 ChemDiv3_000101 CC(=O)N(Nc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E14 compound treatment -0.59 -0.461 -0.65 -0.257 -0.186 -0.37 -0.53 -0.479938564026647 -0.924374719754809 -1.1233 -0.9435 3117593 ChemDiv3_000102 O/N=C/c1ccc[n+](CC(=O)NC2(CC3CC4CC(C3)C2)C4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E15 compound treatment -1.289 -1.16 -1.65 -0.227 -0.156 -0.31 -0.625 -0.574938564026647 -1.10734730199521 -1.7685 -0.88 3019850 ChemDiv3_000103 CSc1ccc(cc1)c2ccc(SC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E16 compound treatment -0.844 -0.715 -1.02 0.507 0.578 1.14 -1.326 -1.27593856402665 -2.45749235621124 -1.346 -0.4651 3019851 ChemDiv3_000104 Nc1ccc(cc1)S(=O)(=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E17 compound treatment -0.787 -0.658 -0.93 -0.328 -0.257 -0.51 -0.46 -0.409938564026647 -0.789552817051354 -1.2881 -0.9726 1913805 ChemDiv3_000105 CC(C)(C)OC(=O)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E18 compound treatment -1.017 -0.888 -1.26 -0.46 -0.389 -0.77 -1.304 -1.25393856402665 -2.41511975821873 -2.5659 -0.9064 1334112 ChemDiv3_000106 Cc1ccc(NCn2c(=O)oc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E19 compound treatment -1.06 -0.931 -1.32 0.094 0.165 0.33 -0.447 -0.396938564026647 -0.76451446369214 -1.0167 -0.6506 1464160 ChemDiv3_000107 OCCNC(=O)c1cc2ccccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E20 compound treatment 0.102 0.231 0.33 -1.779 -1.71 -3.37 -2.071 -2.02093856402665 -3.8923826064123 -4.0039 -0.7759 1484925 ChemDiv3_000108 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E21 compound treatment -0.119 0.0104 0.01 0.564 0.635 1.25 0.189 0.239061435973353 0.460438823727824 0.9988 0.7473 3117594 ChemDiv3_000109 [O-][S+]1NN([S+]([O-])NN1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E22 compound treatment -0.128 0.00141 0.0 -0.436 -0.365 -0.72 -0.413 -0.362938564026647 -0.699029539521891 -0.818 -0.8153 1033254 ChemDiv3_000110 COc1cc(NCCCC(C)N)c2ncccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E23 mock treatment -1.966 -1.84 -2.61 0.127 0.198 0.39 0.289 0.339061435973353 0.653041541875617 -0.9043 -0.3325 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 E24 mock treatment -0.067 0.0624 0.09 -0.036 0.0354 0.07 0.147 0.197061435973353 0.379545682105751 0.3108 0.7847 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F01 compound treatment -3.987 -3.86 -5.48 -2.918 -2.85 -5.62 -2.852 -2.80193856402665 -5.39660983514657 -9.5273 -0.9999 1915982 ChemDiv3_000111 O=C1NC(=O)/C(=C/c2ccccc2)/C(=O)N1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F02 compound treatment -1.561 -1.43 -2.04 -0.683 -0.612 -1.21 -0.931 -0.880938564026647 -1.69671161952746 -2.8519 -0.9794 1272580 ChemDiv3_000112 CC(=C)CN1c2ccccc2Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F03 compound treatment -1.176 -1.05 -1.49 -0.258 -0.187 -0.37 -0.479 -0.428938564026647 -0.826147333499434 -1.5488 -0.8894 1220799 ChemDiv3_000113 Cc1ccc(Nc2ccc3noc4-c5ccccc5C(=O)c2c43)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F04 compound treatment -1.923 -1.79 -2.55 -0.712 -0.641 -1.26 -3.093 -3.04293856402665 -5.86078238588275 -5.5863 -0.8574 1191611 ChemDiv3_000114 O=c1oc2ccccc2c(Nc3ccccc3)c1CN4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F05 compound treatment -1.111 -0.982 -1.4 -0.491 -0.42 -0.83 -0.986 -0.935938564026647 -1.80264311450875 -2.3248 -0.9584 1052238 ChemDiv3_000115 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F06 compound treatment -0.444 -0.315 -0.45 -0.465 -0.394 -0.78 -0.864 -0.813938564026647 -1.56766779836844 -1.612 -0.8926 1363766 ChemDiv3_000116 Cc1cccc(c1)N(CC(=O)O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F07 compound treatment -2.621 -2.49 -3.54 -1.824 -1.75 -3.46 -2.597 -2.54693856402665 -4.90547290386969 -6.8753 -0.9863 1561715 ChemDiv3_000117 O=C(Nc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F08 compound treatment -1.081 -0.952 -1.35 -0.473 -0.402 -0.79 -0.701 -0.650938564026647 -1.25372536778754 -1.9627 -0.9776 1160251 ChemDiv3_000118 CCCC1CCC(CC1)c2ccc(OC(=O)c3ccco3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F09 compound treatment -1.566 -1.44 -2.04 -0.389 -0.318 -0.63 -0.8 -0.749938564026647 -1.44440205875385 -2.3752 -0.921 1185575 ChemDiv3_000119 Cc1cc(F)ccc1S(=O)(=O)NCC2CC3CCC2C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F10 compound treatment -2.341 -2.21 -3.14 -0.616 -0.545 -1.08 -0.857 -0.806938564026647 -1.55418560809809 -3.3335 -0.9087 1298807 ChemDiv3_000120 OCC(O)C1OC(Nc2ccc(Cl)cc2)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F11 compound treatment 0.181 0.31 0.44 0.017 0.0884 0.17 0.171 0.221061435973353 0.425770334461221 0.6014 0.9433 1454827 ChemDiv3_000121 CC(C)(c1ccccc1)c2cc(CN3CCOCC3)c(O)c(CN4CCOCC4)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F12 compound treatment 0.031 0.16 0.23 0.091 0.162 0.32 0.097 0.147061435973353 0.283244323031854 0.4804 0.9907 1403981 ChemDiv3_000122 COc1ccc2oc(=O)c(cc2c1)c3cnc(C)s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F13 compound treatment -0.725 -0.596 -0.85 0.851 0.922 1.82 0.741 0.791061435973353 1.52360582790364 1.4423 0.5721 3117595 ChemDiv3_000123 O/N=C(\C(=O)c1ccccc1Cl)/n2cncn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F14 compound treatment -1.284 -1.15 -1.64 -1.295 -1.22 -2.42 -1.614 -1.56393856402665 -3.01218818447689 -4.0817 -0.9728 3117598 ChemDiv3_000124 CC1(C)COP(=S)(OC1)C(Nc2ccc(Cl)cc2)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F15 compound treatment -1.824 -1.69 -2.41 -0.475 -0.404 -0.8 -0.958 -0.907938564026647 -1.74871435342736 -2.8607 -0.9282 1605115 ChemDiv3_000125 Oc1ccccc1c2nsnc2C(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F16 compound treatment -0.742 -0.613 -0.87 -0.102 -0.0306 -0.06 -0.659 -0.608938564026647 -1.17283222616546 -1.2148 -0.8309 1419832 ChemDiv3_000126 O=C(Oc1ccc(cc1)S(=O)(=O)c2ccc(OC(=O)c3cccs3)cc2)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F17 compound treatment -2.322 -2.19 -3.12 -0.88 -0.809 -1.6 -1.986 -1.93593856402665 -3.72867029598668 -4.8743 -0.9528 1721700 ChemDiv3_000127 COc1cccc(c1)C2(CCCC2)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F18 compound treatment -0.505 -0.376 -0.53 -0.14 -0.0686 -0.14 -0.726 -0.675938564026647 -1.30187604732448 -1.1381 -0.8051 1321397 ChemDiv3_000128 Nc1ncn(CC(O)CO)c2nc(Br)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F19 compound treatment -0.206 -0.0766 -0.11 0.389 0.46 0.91 -0.014 0.036061435973353 0.069455305887804 0.5021 0.5468 3019915 ChemDiv3_000129 COc1ccc(cc1)C(=O)C[n+]2ccc3n(C)nnc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F20 compound treatment -1.324 -1.19 -1.7 -0.386 -0.315 -0.62 -0.863 -0.812938564026647 -1.56574177118696 -2.2432 -0.9378 1406847 ChemDiv3_000130 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccs3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F21 compound treatment -1.097 -0.968 -1.38 -0.309 -0.238 -0.47 -0.543 -0.492938564026647 -0.949413073114022 -1.6132 -0.9292 1504493 ChemDiv3_000131 CC(=O)N1C(NC(=S)N)C(=O)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F22 compound treatment -1.037 -0.908 -1.29 -0.338 -0.267 -0.53 -0.75 -0.699938564026647 -1.34810069967995 -1.8272 -0.9424 1667131 ChemDiv3_000132 CCOc1ccc(OC(=O)c2cccnc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F23 mock treatment 0.31 0.439 0.62 0.0 0.0714 0.14 -0.026 0.024061435973353 0.0463429797100688 0.4689 0.7302 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 F24 mock treatment 0.063 0.192 0.27 0.203 0.274 0.54 -0.129 -0.078938564026647 -0.152037819982158 0.383 0.6121 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G01 compound treatment -0.649 -0.52 -0.74 -0.12 -0.0486 -0.1 -0.13 -0.079938564026647 -0.153963847163636 -0.5708 -0.7503 1210291 ChemDiv3_000133 CN(C)CCOC(=O)c1ccc2[nH]c3CCSCc3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G02 compound treatment -1.246 -1.12 -1.59 -0.73 -0.659 -1.3 -1.072 -1.02193856402665 -1.96828145211585 -2.8037 -0.986 1432983 ChemDiv3_000134 O=C(CC1(CC2CC3CC(C2)C1)C3)N4CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G03 compound treatment -0.395 -0.266 -0.38 -1.113 -1.04 -2.06 -0.932 -0.881938564026647 -1.69863764670894 -2.3861 -0.8857 3019916 ChemDiv3_000135 CC(Cc1ccccc1)[n+]2cc(N)on2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G04 compound treatment -1.917 -1.79 -2.54 -0.943 -0.872 -1.72 -0.321 -0.270938564026647 -0.521835038825921 -2.7622 -0.8872 1091968 ChemDiv3_000136 Nc1ccc(Br)cc1C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G05 compound treatment -0.229 -0.0996 -0.14 -0.221 -0.15 -0.3 0.099 0.149061435973353 0.28709637739481 -0.0865 -0.1986 1446265 ChemDiv3_000137 CC(=O)Oc1ccc2ccc3ccc(OC(=O)C)c4ccc1c2c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G06 compound treatment -0.969 -0.84 -1.19 -0.766 -0.695 -1.37 -1.125 -1.07493856402665 -2.07036089273418 -2.6763 -0.9713 3019918 ChemDiv3_000138 O/N=C/c1ccc[n+](CC(=O)NCc2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G07 compound treatment -1.462 -1.33 -1.89 -0.777 -0.706 -1.39 -1.8 -1.74993856402665 -3.37042924023178 -3.8441 -0.9354 3117599 ChemDiv3_000139 CC1CCC/C(=C/c2ccc(Cl)cc2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G08 compound treatment -2.514 -2.38 -3.39 -1.652 -1.58 -3.12 -1.545 -1.49493856402665 -2.87929230895491 -5.4216 -0.9978 1662647 ChemDiv3_000140 CCOC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G09 compound treatment -1.309 -1.18 -1.68 -0.188 -0.117 -0.23 -0.575 -0.524938564026647 -1.01104594292132 -1.6849 -0.8545 1320817 ChemDiv3_000141 CCN(CC)C(=O)N1CCN(CCC#N)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G10 compound treatment -0.558 -0.429 -0.61 -0.864 -0.793 -1.56 0.012 0.062061435973353 0.11953201260623 -1.1863 -0.7046 1913999 ChemDiv3_000142 CC(Cc1c[nH]c2ccccc12)NC(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G11 compound treatment -1.243 -1.11 -1.58 -0.391 -0.32 -0.63 -0.069 -0.018938564026647 -0.0364761890934823 -1.2995 -0.7623 3117600 ChemDiv3_000143 S=c1nc(oc2CCCCc21)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G12 compound treatment -0.016 0.113 0.16 -0.158 -0.0866 -0.17 0.147 0.197061435973353 0.379545682105751 0.2135 0.4784 3019921 ChemDiv3_000144 CC(C)(C)C(=O)C[n+]1ccc(cc1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G13 compound treatment -0.983 -0.854 -1.21 -0.448 -0.377 -0.74 -0.479 -0.428938564026647 -0.826147333499434 -1.6069 -0.9765 1032623 ChemDiv3_000145 O=C(N(Nc1ccccc1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G14 compound treatment -1.153 -1.02 -1.46 -0.523 -0.452 -0.89 -0.836 -0.785938564026647 -1.51373903728706 -2.229 -0.9771 3117601 ChemDiv3_000146 OC(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G15 compound treatment -0.818 -0.689 -0.98 -1.437 -1.37 -2.7 -1.13 -1.07993856402665 -2.07999102864157 -3.3228 -0.9378 3117602 ChemDiv3_000147 CSc1ccc(Sc2ccc(SC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G16 compound treatment -0.839 -0.71 -1.01 -0.378 -0.307 -0.61 0.06 0.110061435973353 0.211981317317171 -0.8096 -0.6772 1075919 ChemDiv3_000148 Clc1ccc(OCC(=O)NCCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G17 compound treatment -1.956 -1.83 -2.6 -1.093 -1.02 -2.02 -0.192 -0.141938564026647 -0.273377532415268 -2.8218 -0.8552 1146554 ChemDiv3_000149 OCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G18 compound treatment -1.413 -1.28 -1.82 -0.855 -0.784 -1.55 -0.533 -0.482938564026647 -0.930152801299243 -2.4839 -0.9676 1723737 ChemDiv3_000150 NC(=S)c1cc2ccccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G19 compound treatment -1.54 -1.41 -2.01 -0.327 -0.256 -0.5 -0.783 -0.732938564026647 -1.41165959666873 -2.2643 -0.9043 1601550 ChemDiv3_000151 COc1ccc(C2C(=O)c3ccccc3C2=O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G20 compound treatment -2.535 -2.41 -3.42 -1.871 -1.8 -3.55 -1.37 -1.31993856402665 -2.54223755219627 -5.4939 -0.9901 1302822 ChemDiv3_000152 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G21 compound treatment -1.547 -1.42 -2.02 -0.643 -0.572 -1.13 -1.111 -1.06093856402665 -2.04339651219349 -2.995 -0.9711 3019795 ChemDiv3_000153 S=C1NN=C(C(N1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G22 compound treatment 0.149 0.278 0.4 -0.633 -0.562 -1.11 0.449 0.499061435973353 0.961205890912086 0.1433 0.0943 1416806 ChemDiv3_000154 Nc1ccc(cc1)C(=O)Nc2ccc(cc2N)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G23 mock treatment 0.847 0.976 1.39 -0.207 -0.136 -0.27 0.071 0.121061435973353 0.233167616313428 0.7816 0.5455 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 G24 mock treatment -0.062 0.0674 0.1 -0.021 0.0504 0.1 0.162 0.212061435973353 0.40843608982792 0.3486 0.8086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H01 compound treatment -1.069 -0.94 -1.34 -0.922 -0.851 -1.68 -0.905 -0.854938564026647 -1.64663491280903 -2.6916 -0.9951 1123126 ChemDiv3_000155 C(CN1CCOCC1)Sc2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H02 compound treatment -1.04 -0.911 -1.29 -1.239 -1.17 -2.31 -1.371 -1.32093856402665 -2.54416357937775 -3.5474 -0.9668 3019817 ChemDiv3_000156 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccc(cc2)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H03 compound treatment -1.078 -0.949 -1.35 -1.382 -1.31 -2.59 -1.236 -1.18593856402665 -2.28414990987823 -3.5914 -0.9692 3117603 ChemDiv3_000157 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccccc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H04 compound treatment -0.833 -0.704 -1.0 -0.692 -0.621 -1.23 -0.397 -0.346938564026647 -0.668213104618244 -1.6708 -0.973 3019818 ChemDiv3_000158 COc1ccc(cc1)N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C3=CC4CCC(C3)N4C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H05 compound treatment -1.322 -1.19 -1.7 -0.557 -0.486 -0.96 -0.836 -0.785938564026647 -1.51373903728706 -2.4064 -0.9755 1020750 ChemDiv3_000159 NC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H06 compound treatment -0.579 -0.45 -0.64 -0.203 -0.132 -0.26 -1.051 -1.00093856402665 -1.92783488130481 -1.6321 -0.7971 1221336 ChemDiv3_000160 Cc1ccc(OC(=O)c2ccccc2)c(c1)n3nc4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H07 compound treatment -2.02 -1.89 -2.69 -2.096 -2.02 -4.0 -2.175 -2.12493856402665 -4.09268943328601 -6.2228 -0.9845 1171342 ChemDiv3_000161 COC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H08 compound treatment -0.847 -0.718 -1.02 0.077 0.148 0.29 0.17 0.220061435973353 0.423844307279743 -0.1751 -0.1532 1054931 ChemDiv3_000162 O=C(Oc1ccc(cc1)c2ccccc2)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H09 compound treatment 0.517 0.646 0.92 -0.092 -0.0206 -0.04 -1.779 -1.72893856402665 -3.32998266942075 -1.4154 -0.4097 1080023 ChemDiv3_000163 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H10 compound treatment -2.722 -2.59 -3.69 -1.793 -1.72 -3.4 0.361 0.411061435973353 0.791715498942028 -3.6336 -0.7158 1270809 ChemDiv3_000164 Cc1ccccc1C(=O)N2N=C(CC2c3nc4ccccc4[nH]3)c5ccc(Br)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H11 compound treatment 0.071 0.2 0.28 0.013 0.0844 0.17 0.132 0.182061435973353 0.350655274383582 0.4632 0.9618 1111851 ChemDiv3_000165 OCc1nc2cc3ccccc3cc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H12 compound treatment -0.035 0.0944 0.13 0.041 0.112 0.22 -0.079 -0.028938564026647 -0.0557364609082616 0.1735 0.6538 3117604 ChemDiv3_000166 O=C1N(C(=O)c2cc(ccc12)c3ncc(o3)c4ccccc4)c5ncn[nH]5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H13 compound treatment -0.906 -0.777 -1.1 -0.284 -0.213 -0.42 -0.636 -0.585938564026647 -1.12853360099147 -1.5314 -0.9374 3019820 ChemDiv3_000167 Oc1ccccc1/C=N/n2c3ccccc3c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H14 compound treatment -1.0 -0.871 -1.24 -0.441 -0.37 -0.73 -0.339 -0.288938564026647 -0.556503528092524 -1.4572 -0.9457 3117605 ChemDiv3_000168 C/N=C(\C)/c1c(O)c2ccccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H15 compound treatment -1.625 -1.5 -2.13 -1.209 -1.14 -2.25 -1.019 -0.968938564026647 -1.86620201149752 -3.6019 -0.9971 1279829 ChemDiv3_000169 Oc1ccccc1C2CCCCC2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H16 compound treatment -1.271 -1.14 -1.62 -2.046 -1.97 -3.9 -1.354 -1.30393856402665 -2.51142111729262 -4.638 -0.9439 1311336 ChemDiv3_000170 Nc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3cccc(N)c3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H17 compound treatment 0.983 1.11 1.58 0.081 0.152 0.3 0.574 0.624061435973353 1.20195928859683 1.7809 0.8864 1341633 ChemDiv3_000171 Cc1cc(C)c2ccc(NN)nc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H18 compound treatment -0.596 -0.467 -0.66 -0.828 -0.757 -1.49 -0.711 -0.660938564026647 -1.27298563960231 -1.9804 -0.9559 3117606 ChemDiv3_000172 CC(=O)Nc1c(C)nn(c1O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H19 compound treatment -0.979 -0.85 -1.21 -0.37 -0.299 -0.59 -0.13 -0.079938564026647 -0.153963847163636 -1.1266 -0.8328 3019822 ChemDiv3_000173 COc1ccc2nc(C)cc(S)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H20 compound treatment -1.212 -1.08 -1.54 -0.798 -0.727 -1.43 -0.187 -0.136938564026647 -0.263747396507878 -1.8692 -0.8815 1016095 ChemDiv3_000174 COC(=O)c1cccc(n1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H21 compound treatment 0.436 0.565 0.8 -0.382 -0.311 -0.61 -0.405 -0.354938564026647 -0.683621322070067 -0.2846 -0.2332 1229822 ChemDiv3_000175 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2ccc(I)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H22 compound treatment -0.849 -0.72 -1.02 -0.379 -0.308 -0.61 0.318 0.368061435973353 0.708896330138477 -0.532 -0.3841 1484239 ChemDiv3_000176 CC(C)OC(=O)c1cccc(n1)C(=O)Nc2ccc(NC(=O)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H23 mock treatment 0.113 0.242 0.34 0.13 0.201 0.4 0.083 0.133061435973353 0.256279942491163 0.5766 0.985 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 H24 mock treatment 1.636 1.77 1.93 0.11 0.181 0.36 -0.015 0.035061435973353 0.067529278706326 1.3588 0.6926 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I01 compound treatment -1.833 -1.7 -2.42 -1.776 -1.7 -3.37 -2.185 -2.13493856402665 -4.11194970510079 -5.7156 -0.9787 1528297 ChemDiv3_000177 CCN(CC)C(=O)COc1ccc(C)nc1CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I02 compound treatment -0.313 -0.184 -0.26 -0.07 0.00144 0.0 -0.365 -0.314938564026647 -0.60658023481095 -0.4993 -0.7561 1726229 ChemDiv3_000178 O=C(NC1CCCCC1)NC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I03 compound treatment -2.197 -2.07 -2.94 -1.031 -0.96 -1.89 -1.082 -1.03193856402665 -1.98754172393063 -3.9386 -0.9791 1695838 ChemDiv3_000179 OC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I04 compound treatment -0.312 -0.183 -0.26 -0.312 -0.241 -0.47 -0.534 -0.483938564026647 -0.932078828480721 -0.9623 -0.8927 1706757 ChemDiv3_000180 CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I05 compound treatment -0.055 0.0744 0.11 -0.069 0.00244 0.0 -0.512 -0.461938564026647 -0.889706230488206 -0.4498 -0.502 3019863 ChemDiv3_000181 OC(=O)c1ccc(cc1)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I06 compound treatment 0.123 0.252 0.36 0.021 0.0924 0.18 -0.229 -0.178938564026647 -0.344640538129951 0.1136 0.2143 3117607 ChemDiv3_000182 C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2c(Br)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I07 compound treatment -1.758 -1.63 -2.32 -1.056 -0.985 -1.94 -1.74 -1.68993856402665 -3.25486760934311 -4.3384 -0.9766 1103446 ChemDiv3_000183 OC(=O)C(Cc1ccccc1)NC=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I08 compound treatment -0.156 -0.0266 -0.04 0.169 0.24 0.47 0.229 0.279061435973353 0.537479910986941 0.5626 0.7834 3019864 ChemDiv3_000184 NC(=S)/N=C/1\CCCCC1=C2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I09 compound treatment 0.235 0.364 0.52 0.345 0.416 0.82 0.04 0.090061435973353 0.173460773687612 0.874 0.8853 3117608 ChemDiv3_000185 Clc1ccc(cc1)S(=O)(=O)/N=C/2\SCCN2S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I10 compound treatment 1.232 1.36 1.74 1.017 1.09 2.13 0.676 0.726061435973353 1.39841406110758 3.0441 0.9858 3019865 ChemDiv3_000186 NC(=O)c1ccc[n+](CC(=O)N(CC=C)CC=C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I11 compound treatment 0.674 0.803 1.14 -3.375 -3.3 -6.52 -3.168 -3.11793856402665 -6.00523442449359 -6.5737 -0.7353 1008424 ChemDiv3_000187 Nc1ccc(Sc2ccc(N)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I12 compound treatment -0.028 0.101 0.14 -0.036 0.0354 0.07 0.044 0.094061435973353 0.181164882413524 0.2282 0.9436 3117609 ChemDiv3_000188 CC(C)(C)OC(=O)C[n+]1ccc(cc1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I13 compound treatment -0.55 -0.421 -0.6 -0.121 -0.0496 -0.1 -0.552 -0.501938564026647 -0.966747317747323 -0.9599 -0.8413 1590292 ChemDiv3_000189 Cc1ccc(cc1)C(=O)Oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I14 compound treatment 0.101 0.23 0.33 0.063 0.134 0.27 0.134 0.184061435973353 0.354507328746538 0.5471 0.9931 3019866 ChemDiv3_000190 Brc1ccc2[n+](C/C=C/c3ccccc3)cccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I15 compound treatment -2.149 -2.02 -2.87 -0.812 -0.741 -1.46 -1.122 -1.07193856402665 -2.06458281118974 -3.694 -0.9653 2121292 ChemDiv3_000191 Clc1ccc(cc1Cl)S(=O)(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I16 compound treatment 1.337 1.47 1.8 0.747 0.818 1.62 0.696 0.746061435973353 1.43693460473714 2.7996 0.9959 1483300 ChemDiv3_000192 COc1ccc(Cl)c(NCCC(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I17 compound treatment -0.841 -0.712 -1.01 -0.333 -0.262 -0.52 -1.04 -0.989938564026647 -1.90664858230855 -1.9831 -0.8935 1243544 ChemDiv3_000193 CCOc1ccc(cc1OC)C2(CC(=O)Nc3ccccc3)C(=O)c4ccccc4C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I18 compound treatment -0.567 -0.438 -0.62 -0.404 -0.333 -0.66 -0.81 -0.759938564026647 -1.46366233056863 -1.5834 -0.9202 1632789 ChemDiv3_000194 O=C(Nc1cccc2ccccc12)c3cc4ccccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I19 compound treatment -0.141 -0.0116 -0.02 0.173 0.244 0.48 -0.029 0.021061435973353 0.040564898165635 0.2926 0.6037 1020326 ChemDiv3_000195 CCOC(=O)C1=C(O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I20 compound treatment 0.032 0.161 0.23 0.186 0.257 0.51 -0.209 -0.158938564026647 -0.306119994500393 0.2492 0.3917 1160580 ChemDiv3_000196 OC(=O)C(Cc1cnc[nH]1)N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I21 compound treatment 0.218 0.347 0.49 0.125 0.196 0.39 -0.177 -0.126938564026647 -0.244487124693099 0.368 0.546 1223725 ChemDiv3_000197 OC(=O)CC1(CC2CC3C1)CC(CC(=O)O)(C2)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I22 compound treatment -1.157 -1.03 -1.46 -0.592 -0.521 -1.03 -0.898 -0.847938564026647 -1.63315272253869 -2.3798 -0.9833 3019868 ChemDiv3_000198 OC(=O)c1ccc(C(=O)O)c(c1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I23 mock treatment -2.637 -2.51 -3.57 0.161 0.232 0.46 0.157 0.207061435973353 0.39880595392053 -1.5632 -0.4322 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 I24 mock treatment 0.087 0.216 0.31 0.0 0.0714 0.14 0.057 0.107061435973353 0.206203235772737 0.3781 0.9541 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J01 compound treatment -2.3 -2.17 -3.09 -1.47 -1.4 -2.76 -1.529 -1.47893856402665 -2.84847587405126 -5.0207 -0.9989 3117610 ChemDiv3_000199 N/N=C(\C(=O)O)/c1ccccc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J02 compound treatment -2.913 -2.78 -3.96 -2.371 -2.3 -4.54 -1.754 -1.70393856402665 -3.2818319898838 -6.8012 -0.9915 3019869 ChemDiv3_000200 O=C(C[n+]1ccc(C#N)cc1)c2ccc(NC(=O)c3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J03 compound treatment -1.282 -1.15 -1.64 -0.452 -0.381 -0.75 -1.392 -1.34193856402665 -2.58461015018879 -2.8722 -0.9114 3117612 ChemDiv3_000201 O=C(/C=C/c1c[nH]c2ccccc12)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J04 compound treatment -0.579 -0.45 -0.64 -1.361 -1.29 -2.55 -1.221 -1.17093856402665 -2.25525950215606 -3.1412 -0.9076 1170304 ChemDiv3_000202 OC(=O)CCNc1cc(Cl)ccc1Oc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J05 compound treatment -0.079 0.0504 0.07 0.17 0.241 0.48 -0.239 -0.188938564026647 -0.363900809944731 0.1065 0.1763 3019870 ChemDiv3_000203 O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J06 compound treatment 0.358 0.487 0.69 0.154 0.225 0.45 -0.333 -0.282938564026647 -0.544947365003656 0.3425 0.3468 1618034 ChemDiv3_000204 COc1ccc(cc1)N2C(=O)C3CC=CC(C)C3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J07 compound treatment 0.016 0.145 0.21 0.164 0.235 0.46 0.275 0.325061435973353 0.626077161334926 0.7492 0.9287 3117613 ChemDiv3_000205 CCn1c(C)[n+](CC)c2cc(ccc12)S(=O)(=O)NC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J08 compound treatment -1.932 -1.8 -2.56 -1.017 -0.946 -1.87 -1.411 -1.36093856402665 -2.62120466663687 -4.071 -0.9895 1082227 ChemDiv3_000206 C(CSc1nc2ccccc2[nH]1)Sc3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J09 compound treatment -2.863 -2.73 -3.89 -2.855 -2.78 -5.5 -3.896 -3.84593856402665 -7.40738221260953 -9.6938 -0.9685 3019871 ChemDiv3_000207 Cc1ccc(cc1C)C(=O)c2ccc(C)c(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J10 compound treatment -0.889 -0.76 -1.08 -0.589 -0.518 -1.02 -1.179 -1.12893856402665 -2.17436636053399 -2.4689 -0.9373 1921766 ChemDiv3_000208 CC(/N=C/c1ccccc1O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J11 compound treatment -1.28 -1.15 -1.64 -0.274 -0.203 -0.4 0.056 0.106061435973353 0.204277208591259 -1.0575 -0.6233 1340958 ChemDiv3_000209 CCN(CC)CCSc1nnc2c3ccccc3n(CC(=O)N)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J12 compound treatment 0.297 0.426 0.61 0.097 0.168 0.33 0.057 0.107061435973353 0.206203235772737 0.6611 0.9162 1421356 ChemDiv3_000210 O=C(Nc1nc(cs1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J13 compound treatment -3.958 -3.83 -5.44 -4.7 -4.63 -9.14 -4.0 -3.94993856402665 -7.60768903948323 -12.8116 -0.9796 3019898 ChemDiv3_000211 Oc1ccccc1/C=N/c2cccc(\N=C\c3ccccc3O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J14 compound treatment -1.159 -1.03 -1.46 -0.694 -0.623 -1.23 -0.686 -0.635938564026647 -1.22483496006537 -2.262 -0.9964 3117614 ChemDiv3_000212 Clc1ccc2[nH]c(=O)nc(c3ccccc3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J15 compound treatment -1.886 -1.76 -2.5 -0.494 -0.423 -0.83 -1.756 -1.70593856402665 -3.28568404424675 -3.8206 -0.9074 1122932 ChemDiv3_000213 Oc1cc(cc(c1)C2CCCCC2)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J16 compound treatment -0.745 -0.616 -0.88 -0.304 -0.233 -0.46 -0.637 -0.586938564026647 -1.13045962817295 -1.4231 -0.9477 3117615 ChemDiv3_000214 CC(=O)NC1=NN(C(=O)C)C(C)(CS(=O)(=O)c2ccc(C)cc2)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J17 compound treatment -0.164 -0.0346 -0.05 0.208 0.279 0.55 0.0 0.050061435973353 0.096419686428495 0.3458 0.6151 1730515 ChemDiv3_000215 CNc1ccc2cccc(Oc3ccc4cccc(O)c4n3)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J18 compound treatment -0.392 -0.263 -0.37 -0.75 -0.679 -1.34 -1.608 -1.55793856402665 -3.00063202138802 -2.7215 -0.8229 1591676 ChemDiv3_000216 Nc1cccc(NC(=O)CCC(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J19 compound treatment -0.388 -0.259 -0.37 0.472 0.543 1.07 -0.139 -0.088938564026647 -0.171298091796938 0.3083 0.2688 3117616 ChemDiv3_000217 CC1(C)CC(CC(C)(C)N1)/N=C/c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J20 compound treatment -1.324 -1.19 -1.7 -0.517 -0.446 -0.88 -1.267 -1.21693856402665 -2.34385675250404 -2.8418 -0.9393 1528923 ChemDiv3_000218 CC(C)OC(=O)c1cccc(n1)C(=O)OC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J21 compound treatment -1.88 -1.75 -2.49 -1.39 -1.32 -2.6 -1.964 -1.91393856402665 -3.68629769799416 -5.0684 -0.9834 1320476 ChemDiv3_000219 OC(=O)CC(N1C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J22 compound treatment -1.314 -1.18 -1.68 -1.175 -1.1 -2.18 -4.418 -4.36793856402665 -8.41276840134101 -7.0875 -0.8007 1009844 ChemDiv3_000220 Nc1cc(ccc1O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J23 mock treatment 0.133 0.262 0.37 0.098 0.169 0.33 0.078 0.128061435973353 0.246649806583774 0.551 0.9864 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 J24 mock treatment 0.152 0.281 0.4 0.0 0.0714 0.14 -0.083 -0.032938564026647 -0.0634405696341733 0.2758 0.643 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K01 compound treatment -1.148 -1.02 -1.45 -0.644 -0.573 -1.13 -0.614 -0.563938564026647 -1.08616100299896 -2.1159 -0.9914 1273679 ChemDiv3_000221 CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K02 compound treatment -1.333 -1.2 -1.71 -1.175 -1.1 -2.18 -1.132 -1.08193856402665 -2.08384308300452 -3.4491 -0.9949 1202625 ChemDiv3_000222 OCCC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K03 compound treatment -0.985 -0.856 -1.22 -1.297 -1.23 -2.42 -1.114 -1.06393856402665 -2.04917459373792 -3.2825 -0.9665 1450413 ChemDiv3_000223 CS(=O)(=O)CS(=O)(=O)C1=C(C2CCN1CC2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K04 compound treatment 0.309 0.438 0.62 0.079 0.15 0.3 0.043 0.093061435973353 0.179238855232046 0.6349 0.8899 1353143 ChemDiv3_000224 CC(C)N(C(C)C)C(=O)Cn1ccc(=N)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K05 compound treatment -1.789 -1.66 -2.36 -1.286 -1.21 -2.4 -0.27 -0.219938564026647 -0.423607652570547 -2.9915 -0.8822 3117617 ChemDiv3_000225 CCCCc1ccc(CC(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K06 compound treatment 1.017 1.15 1.62 0.406 0.477 0.94 0.125 0.175061435973353 0.337173084113236 1.6724 0.8794 3019901 ChemDiv3_000226 CC[n+]1cccc(c1)c2nc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K07 compound treatment -0.714 -0.585 -0.83 -0.371 -0.3 -0.59 -0.662 -0.611938564026647 -1.1786103077099 -1.5018 -0.9635 1058991 ChemDiv3_000227 CCc1ccc(CC(=S)N2CCOCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K08 compound treatment -0.986 -0.857 -1.22 -0.032 0.0394 0.08 0.108 0.158061435973353 0.304430622028112 -0.4824 -0.3836 1049850 ChemDiv3_000228 C(N1CCN(CC1)c2ccccc2)N3CCN(CC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K09 compound treatment -0.277 -0.148 -0.21 -0.584 -0.513 -1.01 -0.405 -0.354938564026647 -0.683621322070067 -1.1002 -0.8878 1529951 ChemDiv3_000229 COc1ccc2N(C)C(=O)C(C)(CC#N)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K10 compound treatment 1.393 1.52 1.82 3.722 3.79 3.31 0.33 0.380061435973353 0.732008656316212 3.3838 0.8799 3117618 ChemDiv3_000230 NC(=O)c1cc[n+](CC(=O)N(CC=C)CC=C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K11 compound treatment 0.639 0.768 1.09 0.208 0.279 0.55 0.067 0.117061435973353 0.225463507587516 1.0795 0.8674 1049796 ChemDiv3_000231 C[n+]1ccc(cc1)c2cc[n+](C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K12 compound treatment -0.108 0.0214 0.03 -0.229 -0.158 -0.31 0.028 0.078061435973353 0.150348447509877 -0.0752 -0.2169 3117619 ChemDiv3_000232 O/N=C/c1ccc[n+](C/C=C/c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K13 compound treatment -1.322 -1.19 -1.7 -0.266 -0.195 -0.38 -1.239 -1.18893856402665 -2.28992799142266 -2.5228 -0.8775 1377603 ChemDiv3_000233 Cc1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(C)c3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K14 compound treatment -1.867 -1.74 -2.47 -1.492 -1.42 -2.8 -1.582 -1.53193856402665 -2.95055531466959 -4.7493 -0.9973 3117620 ChemDiv3_000234 NC(=O)NC(=O)C[n+]1ccc(/C=N/O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K15 compound treatment -1.357 -1.23 -1.75 -1.066 -0.995 -1.96 -0.812 -0.761938564026647 -1.46751438493159 -2.9887 -0.9931 1086380 ChemDiv3_000235 Brc1ccc(cc1)S(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K16 compound treatment -1.796 -1.67 -2.37 -1.651 -1.58 -3.12 -0.047 0.003061435973353 0.00589640889903222 -3.1653 -0.8081 3117621 ChemDiv3_000236 OC(=O)CN(CCc1ccccc1)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K17 compound treatment -1.929 -1.8 -2.56 -1.897 -1.83 -3.6 -0.899 -0.848938564026647 -1.63507874972017 -4.5024 -0.9553 1677145 ChemDiv3_000237 O=C1C(C(C2C(=O)c3ccccc3C2=O)c4ccccc4)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K18 compound treatment -0.585 -0.456 -0.65 -0.293 -0.222 -0.44 -0.658 -0.607938564026647 -1.17090619898398 -1.3026 -0.9252 1190677 ChemDiv3_000238 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K19 compound treatment -1.106 -0.977 -1.39 -0.896 -0.825 -1.63 -0.831 -0.780938564026647 -1.50410890137967 -2.61 -0.9979 3019902 ChemDiv3_000239 CCC(=O)c1ccc2cc(OC)ccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K20 compound treatment -2.333 -2.2 -3.13 -2.379 -2.31 -4.56 -1.356 -1.30593856402665 -2.51527317165558 -5.8916 -0.9699 1231229 ChemDiv3_000240 CCCCC(N1C(=O)c2ccccc2C1=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K21 compound treatment -1.479 -1.35 -1.92 -1.519 -1.45 -2.86 -2.219 -2.16893856402665 -4.17743462927104 -5.1699 -0.9551 1111942 ChemDiv3_000241 CN(C)CCC(=O)c1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K22 compound treatment 0.05 0.179 0.26 0.195 0.266 0.53 0.134 0.184061435973353 0.354507328746538 0.6557 0.959 3019922 ChemDiv3_000242 Cc1cc(NC(=O)c2ccc(N)cc2)c(N)cc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K23 mock treatment -0.017 0.112 0.16 -0.169 -0.0976 -0.19 -0.172 -0.121938564026647 -0.234856988785709 -0.1545 -0.4503 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 K24 mock treatment -0.492 -0.363 -0.52 -0.044 0.0274 0.05 -0.135 -0.084938564026647 -0.163593983071026 -0.3608 -0.6638 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L01 compound treatment -0.818 -0.689 -0.98 0.113 0.184 0.36 0.033 0.083061435973353 0.159978583417267 -0.2626 -0.2485 3117622 ChemDiv3_000243 CC(=O)Nc1ccc(NC(=O)/C=N/O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L02 compound treatment -1.86 -1.73 -2.46 -1.039 -0.968 -1.91 -1.018 -0.967938564026647 -1.86427598431604 -3.5999 -0.9916 3117623 ChemDiv3_000244 O=C(C[n+]1cccc(c1)C(=O)Nc2ccccc2)c3ccc(cc3)N4C(=O)c5ccccc5C4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L03 compound treatment 0.477 0.606 0.86 1.179 1.25 2.27 1.345 1.39506143597335 2.30721797498818 3.1429 0.9375 3019923 ChemDiv3_000245 CC1(C)CC(CC(C)(C)N1)NC(=O)/C=C/C(=O)NC2CC(C)(C)NC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L04 compound treatment -1.642 -1.51 -2.15 -1.734 -1.66 -3.28 -0.934 -0.883938564026647 -1.70248970107189 -4.1199 -0.9631 1260714 ChemDiv3_000246 CC(C)(C)c1ccc(O)c(CN2CCN(CC2)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L05 compound treatment -1.186 -1.06 -1.5 -0.054 0.0174 0.03 -0.254 -0.203938564026647 -0.3927912176669 -1.0742 -0.6916 3019924 ChemDiv3_000247 CC(C)N1C(=O)N(C(=CC1(C)C)C)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L06 compound treatment -0.427 -0.298 -0.42 -1.61 -1.54 -3.04 -2.257 -2.20693856402665 -4.2506236621672 -4.4523 -0.8494 1635573 ChemDiv3_000248 COc1ccc(cc1CN2CCOCC2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L07 compound treatment -0.369 -0.24 -0.34 0.684 0.755 1.49 0.641 0.691061435973353 1.33100310975585 1.433 0.7066 1417227 ChemDiv3_000249 C1CN(CCO1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L08 compound treatment -0.651 -0.522 -0.74 -0.337 -0.266 -0.52 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.7319 -0.8059 3019925 ChemDiv3_000250 Brc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L09 compound treatment 0.343 0.472 0.67 -0.075 -0.00356 -0.01 0.101 0.151061435973353 0.290948431757766 0.5517 0.7537 1196316 ChemDiv3_000251 COc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccnc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L10 compound treatment -0.92 -0.791 -1.12 -0.72 -0.649 -1.28 0.114 0.164061435973353 0.315986785116979 -1.2059 -0.6958 1401655 ChemDiv3_000252 CCSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L11 compound treatment -0.288 -0.159 -0.23 -0.85 -0.779 -1.54 0.176 0.226061435973353 0.435400470368611 -0.7664 -0.4749 1010418 ChemDiv3_000253 Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L12 compound treatment -0.169 -0.0396 -0.06 -0.824 -0.753 -1.49 -1.0 -0.949938564026647 -1.82960749504944 -1.9467 -0.8257 1538510 ChemDiv3_000254 CCOC(=O)n1c(=O)oc2cc(Cl)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L13 compound treatment -0.761 -0.632 -0.9 -0.582 -0.511 -1.01 0.047 0.097061435973353 0.186942963957958 -0.9926 -0.7282 1642025 ChemDiv3_000255 CCOC(=O)Nc1cc(=O)c2ccccc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L14 compound treatment -1.791 -1.66 -2.36 -0.911 -0.84 -1.66 -0.564 -0.513938564026647 -0.989859643925058 -2.8925 -0.948 1641183 ChemDiv3_000256 O=C(COC(=O)c1cc2ccccc2oc1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L15 compound treatment -0.977 -0.848 -1.21 -0.474 -0.403 -0.79 -0.593 -0.542938564026647 -1.04571443218792 -1.7584 -0.9864 3019926 ChemDiv3_000257 O/N=C(\c1ccccc1)/C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L16 compound treatment -0.654 -0.525 -0.75 0.735 0.806 1.59 0.459 0.509061435973353 0.980466162726866 1.0548 0.5239 3117624 ChemDiv3_000258 CC[n+]1c(/C=C\2/CC(C)(C)CC(=C2)C)oc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L17 compound treatment -0.64 -0.511 -0.73 -0.545 -0.474 -0.94 -0.039 0.011061435973353 0.0213046263508557 -0.9467 -0.7996 1920076 ChemDiv3_000259 Cc1cc(C)c2ccc(/C=N/O)nc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L18 compound treatment -1.041 -0.912 -1.3 -0.5 -0.429 -0.85 -0.123 -0.072938564026647 -0.140481656893291 -1.318 -0.848 3117625 ChemDiv3_000260 CC[n+]1c(/C=C/2\CC(C)CC(=C2)C)sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L19 compound treatment -1.079 -0.95 -1.35 -0.35 -0.279 -0.55 -0.521 -0.470938564026647 -0.907040475121507 -1.6207 -0.9439 1315100 ChemDiv3_000261 CSc1nc2ccccc2n1CN(C)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L20 compound treatment -0.886 -0.757 -1.08 -0.573 -0.502 -0.99 0.773 0.823061435973353 1.58523869771094 -0.2776 -0.1287 1305784 ChemDiv3_000262 COC(=O)c1cccc(n1)C(=O)Oc2ccc(OC(=O)c3cccc(n3)C(=O)OC)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L21 compound treatment 0.607 0.736 1.05 -1.902 -1.83 -3.61 -2.144 -2.09393856402665 -4.03298259066019 -3.8108 -0.6909 1433025 ChemDiv3_000263 Cc1cc(cc(C)c1N)C2(CCCCC2)c3cc(C)c(N)c(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L22 compound treatment -0.983 -0.854 -1.21 -0.753 -0.682 -1.35 -0.303 -0.252938564026647 -0.487166549559318 -1.7589 -0.9373 1464584 ChemDiv3_000264 CN(C)c1ccc(cc1)C(O)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L23 mock treatment -0.018 0.111 0.16 0.104 0.175 0.35 -0.041 0.009061435973353 0.0174525719878998 0.3015 0.7908 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 L24 mock treatment 0.314 0.443 0.63 0.294 0.365 0.72 0.0 0.050061435973353 0.096419686428495 0.8362 0.8684 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M01 compound treatment -0.986 -0.857 -1.22 -0.727 -0.656 -1.29 -0.847 -0.796938564026647 -1.53492533628331 -2.3367 -0.995 1660133 ChemDiv3_000265 CC1=CC(=O)OC1Cc2ccc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M02 compound treatment -0.548 -0.419 -0.6 -0.179 -0.108 -0.21 -0.13 -0.079938564026647 -0.153963847163636 -0.5551 -0.8535 1710588 ChemDiv3_000266 CC(=O)Nc1nc(cs1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M03 compound treatment -1.606 -1.48 -2.1 -0.5 -0.429 -0.85 -0.553 -0.502938564026647 -0.968673344928801 -2.2599 -0.9179 3117626 ChemDiv3_000267 C/N=C\1/S/C(=C\c2cn(CC(=O)O)c3ccccc23)/C(=O)N1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M04 compound treatment -0.09 0.0394 0.06 -0.086 -0.0146 -0.03 -0.202 -0.151938564026647 -0.292637804230047 -0.1532 -0.5118 3019928 ChemDiv3_000268 CC(C)(C)NC(=O)C[n+]1cccc(/C=N/O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M05 compound treatment -1.431 -1.3 -1.85 -0.356 -0.285 -0.56 -1.123 -1.07293856402665 -2.06650883837122 -2.5859 -0.9136 3117629 ChemDiv3_000269 CC(=O)OC1CCC(CC1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M06 compound treatment 3.521 3.65 2.39 2.12 2.19 2.83 3.308 3.35806143597335 3.11439997989665 4.8107 0.9942 3019929 ChemDiv3_000270 CC(=O)Nc1sc2CCCCc2c1SC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M07 compound treatment -0.25 -0.121 -0.17 0.042 0.113 0.22 -0.343 -0.292938564026647 -0.564207636818436 -0.2954 -0.4683 3117630 ChemDiv3_000271 CCC1(CC)C(=[N+](C)c2ccccc21)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M08 compound treatment -0.083 0.0464 0.07 0.849 0.92 1.82 0.756 0.806061435973353 1.55249623562581 1.9837 0.8296 1692026 ChemDiv3_000272 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccccc2C(=O)NC3CC(C)(C)NC(C)(C)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M09 compound treatment -0.101 0.0284 0.04 0.769 0.84 1.66 0.095 0.145061435973353 0.279392268668899 1.1427 0.6789 3019876 ChemDiv3_000273 CC[n+]1c(C)sc(c1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M10 compound treatment -0.971 -0.842 -1.2 -0.05 0.0214 0.04 -0.094 -0.043938564026647 -0.0846268686304306 -0.7153 -0.5959 3117631 ChemDiv3_000274 NC(=O)c1ccc[n+](CC(=O)N2CCCCC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M11 compound treatment 0.142 0.271 0.39 -0.636 -0.565 -1.11 -0.932 -0.881938564026647 -1.69863764670894 -1.4015 -0.6777 1141301 ChemDiv3_000275 COC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M12 compound treatment 0.08 0.209 0.3 -0.966 -0.895 -1.77 -0.2 -0.149938564026647 -0.288785749867091 -1.0146 -0.5592 3117632 ChemDiv3_000276 O/N=C/c1cc[n+](CCC(=O)NCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M13 compound treatment -1.868 -1.74 -2.47 -1.357 -1.29 -2.54 -1.597 -1.54693856402665 -2.97944572239176 -4.6129 -0.9964 3019878 ChemDiv3_000277 Cc1cccc(NC(=O)/C=C/c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M14 compound treatment -1.635 -1.51 -2.14 -0.793 -0.722 -1.42 -0.973 -0.922938564026647 -1.77760476114953 -3.0848 -0.9868 3117633 ChemDiv3_000278 OC(=O)c1ccccc1NC(=O)C[n+]2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M15 compound treatment -1.473 -1.34 -1.91 -0.435 -0.364 -0.72 -1.311 -1.26093856402665 -2.42860194848907 -2.9195 -0.9204 1048436 ChemDiv3_000279 O=C(Nc1ccccc1)C2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M16 compound treatment -0.699 -0.57 -0.81 -0.671 -0.6 -1.18 -2.307 -2.25693856402665 -4.34692502124109 -3.6607 -0.7997 1410422 ChemDiv3_000280 CCNc1c(N)c(=O)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M17 compound treatment -0.737 -0.608 -0.86 -0.253 -0.182 -0.36 -0.519 -0.468938564026647 -0.903188420758552 -1.2272 -0.9438 3019903 ChemDiv3_000281 Nc1nonc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M18 compound treatment -0.375 -0.246 -0.35 -0.283 -0.212 -0.42 -0.274 -0.223938564026647 -0.431311761296458 -0.6918 -0.996 3019904 ChemDiv3_000282 CC(C)C1=CCC(C)/C(=C\c2ccc(Cl)cc2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M19 compound treatment -1.115 -0.986 -1.4 -0.468 -0.397 -0.78 -0.886 -0.835938564026647 -1.61004039636095 -2.1907 -0.9636 1010017 ChemDiv3_000283 O=C1C=CC(=O)N1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M20 compound treatment 0.0 0.129 0.18 -0.259 -0.188 -0.37 -0.675 -0.624938564026647 -1.20364866106911 -0.8025 -0.6306 1922526 ChemDiv3_000284 Brc1ccccc1c2nc3ccccc3c4nc5ccccc5n24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M21 compound treatment 0.118 0.247 0.35 -0.304 -0.233 -0.46 0.181 0.231061435973353 0.445030606276001 0.1949 0.2671 1409537 ChemDiv3_000285 Nc1ccc(cc1)C(=O)CC(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M22 compound treatment -0.731 -0.602 -0.86 -0.011 0.0604 0.12 -0.341 -0.290938564026647 -0.56035558245548 -0.7484 -0.727 1104285 ChemDiv3_000286 OC(=O)c1cc2ccc3cccc4ccc(c1)c2c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M23 mock treatment -2.149 -2.02 -2.87 -0.089 -0.0176 -0.03 0.083 0.133061435973353 0.256279942491163 -1.5299 -0.5306 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 M24 mock treatment -0.792 -0.663 -0.94 0.119 0.19 0.38 0.276 0.326061435973353 0.628003188516404 0.0358 0.03 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N01 compound treatment -1.507 -1.38 -1.96 -1.098 -1.03 -2.03 -1.08 -1.02993856402665 -1.98368966956767 -3.4464 -0.9999 3019905 ChemDiv3_000287 C/C(=C/C(=O)O)/C=C/c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N02 compound treatment -0.953 -0.824 -1.17 -0.468 -0.397 -0.78 -1.114 -1.06393856402665 -2.04917459373792 -2.3112 -0.9295 1113098 ChemDiv3_000288 O=C(Oc1ccccc1OC(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N03 compound treatment -1.237 -1.11 -1.57 -0.278 -0.207 -0.41 -1.397 -1.34693856402665 -2.59424028609618 -2.6424 -0.863 1455237 ChemDiv3_000289 S=C1NCN(CN1)C2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N04 compound treatment 0.079 0.208 0.3 0.345 0.416 0.82 -0.5 -0.449938564026647 -0.866593904310471 0.1455 0.1182 1652365 ChemDiv3_000290 CC(C)c1cc(CN2CCN(CC2)c3ccccc3)c(O)c(CN4CCN(CC4)c5ccccc5)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N05 compound treatment -2.694 -2.56 -3.65 -3.057 -2.99 -5.9 -3.589 -3.53893856402665 -6.8160918678958 -9.444 -0.9715 3019907 ChemDiv3_000291 CN(C)C/C(=N/O)/C(=O)Nc1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N06 compound treatment 0.054 0.183 0.26 -0.218 -0.147 -0.29 -0.591 -0.540938564026647 -1.04186237782496 -0.618 -0.5556 1498499 ChemDiv3_000292 COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc(OC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N07 compound treatment -0.349 -0.22 -0.31 -0.075 -0.00356 -0.01 0.206 0.256061435973353 0.493181285812949 0.1004 0.172 1034347 ChemDiv3_000293 N#CCCn1nnc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N08 compound treatment -0.808 -0.679 -0.96 -0.15 -0.0786 -0.16 -0.548 -0.497938564026647 -0.959043209021412 -1.2003 -0.8766 3117634 ChemDiv3_000294 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc4ccccc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N09 compound treatment -0.989 -0.86 -1.22 -1.032 -0.961 -1.9 -1.827 -1.77693856402665 -3.42243197413169 -3.7766 -0.9213 1051930 ChemDiv3_000295 C(c1ccccc1)n2ccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N10 compound treatment -1.091 -0.962 -1.37 -2.072 -2.0 -3.95 -2.843 -2.79293856402665 -5.37927559051326 -6.1757 -0.9065 1022496 ChemDiv3_000296 OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N11 compound treatment -1.244 -1.11 -1.58 -0.267 -0.196 -0.39 0.013 0.063061435973353 0.121458039787708 -1.0677 -0.6528 1579194 ChemDiv3_000297 CN(C)C(=O)c1ccc(Oc2ccc(cc2)C(=O)N(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N12 compound treatment -1.262 -1.13 -1.61 0.016 0.0874 0.17 0.072 0.122061435973353 0.235093643494906 -0.6943 -0.4243 1676465 ChemDiv3_000298 Clc1ccc(cc1)C(=O)n2c(=O)oc3cc(Cl)ccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N13 compound treatment -3.095 -2.97 -4.22 -1.5 -1.43 -2.82 -1.618 -1.56793856402665 -3.0198922932028 -5.8064 -0.9835 1542255 ChemDiv3_000299 CCOC(=O)c1c(O)cc(C)cc1Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N14 compound treatment -0.937 -0.808 -1.15 -0.625 -0.554 -1.09 -1.534 -1.48393856402665 -2.85810600995865 -2.9441 -0.9008 3117635 ChemDiv3_000300 O=C(C[n+]1ccccc1)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N15 compound treatment -0.4 -0.271 -0.38 -0.159 -0.0876 -0.17 -0.554 -0.503938564026647 -0.970599372110279 -0.8823 -0.8337 1382153 ChemDiv3_000301 O=C1N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N16 compound treatment -1.161 -1.03 -1.47 -1.083 -1.01 -2.0 -1.167 -1.11693856402665 -2.15125403435625 -3.242 -0.9879 1667966 ChemDiv3_000302 O=C(Nc1ccc(cc1)c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)C5CCCCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N17 compound treatment -0.946 -0.817 -1.16 -0.364 -0.293 -0.58 -0.571 -0.520938564026647 -1.0033418341954 -1.5831 -0.9655 3019932 ChemDiv3_000303 COC(=O)c1cc2cc(Br)ccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N18 compound treatment 0.598 0.727 1.03 0.509 0.58 1.15 0.489 0.539061435973353 1.0382469781712 1.8582 0.9988 1508788 ChemDiv3_000304 CC(=O)Nc1ccc2oc3ccccc3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N19 compound treatment -2.234 -2.1 -2.99 -1.941 -1.87 -3.69 -2.535 -2.48493856402665 -4.78605921861806 -6.6221 -0.9819 3019933 ChemDiv3_000305 NC(=O)CSc1nc2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N20 compound treatment -0.5 -0.371 -0.53 -0.55 -0.479 -0.94 -0.015 0.035061435973353 0.067529278706326 -0.8108 -0.7479 1682374 ChemDiv3_000306 COC(=O)c1cccc(n1)C(=O)Nc2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N21 compound treatment -0.721 -0.592 -0.84 -0.246 -0.175 -0.34 -0.343 -0.292938564026647 -0.564207636818436 -1.0104 -0.9444 1467868 ChemDiv3_000307 Cc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N22 compound treatment 0.047 0.176 0.25 0.0 0.0714 0.14 -0.367 -0.316938564026647 -0.610432289173906 -0.1262 -0.187 3019936 ChemDiv3_000308 O=C/1OC(=N\C1=C/c2ccco2)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N23 mock treatment 0.24 0.369 0.53 0.066 0.137 0.27 0.088 0.138061435973353 0.265910078398553 0.6134 0.9463 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 N24 mock treatment -0.062 0.0674 0.1 -0.095 -0.0236 -0.05 0.139 0.189061435973353 0.364137464653928 0.2387 0.6292 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O01 compound treatment -3.881 -3.75 -5.33 -4.884 -4.81 -9.5 -5.162 -5.11193856402665 -9.84573262436059 -14.2502 -0.9703 3117636 ChemDiv3_000309 NNc1nc(cc(n1)c2ccccc2O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O02 compound treatment -2.258 -2.13 -3.03 -2.312 -2.24 -4.42 -1.91 -1.85993856402665 -3.58229223019435 -6.3697 -0.988 3019937 ChemDiv3_000310 CCCc1[nH]c(Br)nc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O03 compound treatment -1.05 -0.921 -1.31 -0.625 -0.554 -1.09 -0.662 -0.611938564026647 -1.1786103077099 -2.0672 -0.9972 1573334 ChemDiv3_000311 COc1nsnc1N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O04 compound treatment -0.526 -0.397 -0.56 -0.226 -0.155 -0.31 0.308 0.358061435973353 0.689636058323698 -0.1036 -0.11 3117637 ChemDiv3_000312 CN(C)C(=O)C[n+]1cccc(/C=N/O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O05 compound treatment -1.505 -1.38 -1.96 -1.651 -1.58 -3.12 -1.595 -1.54493856402665 -2.97559366802881 -4.6478 -0.9819 1280359 ChemDiv3_000313 CCCCC1CCC(CC1)c2ccc(cc2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O06 compound treatment 0.768 0.897 1.28 0.013 0.0844 0.17 -0.299 -0.248938564026647 -0.479462440833407 0.5561 0.405 3019939 ChemDiv3_000314 C[n+]1ccccc1c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O07 compound treatment -0.935 -0.806 -1.15 -0.212 -0.141 -0.28 0.015 0.065061435973353 0.125310094150664 -0.7492 -0.6321 1372721 ChemDiv3_000315 CCCCC1CCC(CC1)C(=O)Oc2ccc(OCC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O08 compound treatment -0.871 -0.742 -1.05 -0.456 -0.385 -0.76 -0.875 -0.824938564026647 -1.5888540973647 -1.9645 -0.9571 1559693 ChemDiv3_000316 CCOC(=O)c1[nH]c2ccc(OCC)cc2c1CCCN3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O09 compound treatment -1.071 -0.942 -1.34 -3.392 -3.32 -6.56 -3.779 -3.72893856402665 -7.18203703237661 -8.7049 -0.8868 1672292 ChemDiv3_000317 COC(=O)c1ccc2n(CCO)c(C)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O10 compound treatment -0.25 -0.121 -0.17 -0.461 -0.39 -0.77 -0.294 -0.243938564026647 -0.469832304926017 -0.8143 -0.8876 3117638 ChemDiv3_000318 CC(C)(C)CC[n+]1ccc(cc1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O11 compound treatment 0.438 0.567 0.81 0.865 0.936 1.85 0.171 0.221061435973353 0.425770334461221 1.7791 0.8629 3019783 ChemDiv3_000319 CN1C(N(C)c2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O12 compound treatment 0.063 0.192 0.27 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 0.295 0.9148 3019784 ChemDiv3_000320 CC(C)(C)CC[n+]1ccc(/C=N/O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O13 compound treatment -1.268 -1.14 -1.62 -0.957 -0.886 -1.75 -1.0 -0.949938564026647 -1.82960749504944 -3.0005 -0.9987 1564111 ChemDiv3_000321 Cc1ccc(cc1)C(=O)c2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O14 compound treatment -1.049 -0.92 -1.31 -0.627 -0.556 -1.1 -0.682 -0.631938564026647 -1.21713085133945 -2.0909 -0.9975 1011033 ChemDiv3_000322 Cc1nc(N)c(nc1C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O15 compound treatment -1.918 -1.79 -2.54 -2.262 -2.19 -4.33 -2.354 -2.30393856402665 -4.43744829877056 -6.5274 -0.9745 1628748 ChemDiv3_000323 CN(CC(=O)C1=C(C(=O)c2ccccc2C1=O)c3ccc(Br)cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O16 compound treatment -0.509 -0.38 -0.54 -0.439 -0.368 -0.73 -0.173 -0.122938564026647 -0.236783015967187 -0.8673 -0.9277 1540210 ChemDiv3_000324 Nc1c(N2CCOCC2)c3ccccc3oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O17 compound treatment -0.571 -0.442 -0.63 -0.382 -0.311 -0.61 -0.412 -0.361938564026647 -0.697103512340413 -1.119 -0.9984 1072203 ChemDiv3_000325 CCCn1c2ccccc2c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O18 compound treatment 0.429 0.558 0.79 0.035 0.106 0.21 -0.365 -0.314938564026647 -0.60658023481095 0.2295 0.2248 3019785 ChemDiv3_000326 COc1ccc(/C=C/2\C(C)CC=C(C(C)C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O19 compound treatment 0.0 0.129 0.18 0.026 0.0974 0.19 0.232 0.282061435973353 0.543257992531375 0.531 0.8776 1084080 ChemDiv3_000327 CC[n+]1ccc(C)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O20 compound treatment -0.739 -0.61 -0.87 -0.029 0.0424 0.08 -0.315 -0.264938564026647 -0.510278875737053 -0.7466 -0.7398 1594899 ChemDiv3_000328 COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O21 compound treatment -0.216 -0.0866 -0.12 -0.582 -0.511 -1.01 -0.561 -0.510938564026647 -0.984081562380625 -1.2213 -0.8636 1181132 ChemDiv3_000329 O=C(NCC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O22 compound treatment -0.537 -0.408 -0.58 -1.346 -1.27 -2.52 0.032 0.082061435973353 0.158052556235789 -1.6963 -0.6556 1124218 ChemDiv3_000330 CCc1nc(C)ccc1OCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O23 mock treatment -0.015 0.114 0.16 -0.244 -0.173 -0.34 -0.012 0.038061435973353 0.0733073602507598 -0.0605 -0.1572 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 O24 mock treatment 0.164 0.293 0.42 0.171 0.242 0.48 0.137 0.187061435973353 0.360285410290972 0.7252 0.9934 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P01 compound treatment -1.512 -1.38 -1.97 -0.259 -0.188 -0.37 -0.831 -0.780938564026647 -1.50410890137967 -2.2171 -0.8859 1003174 ChemDiv3_000331 CC(O)c1ccc(Oc2ccc(cc2)C(C)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P02 compound treatment -1.348 -1.22 -1.73 -0.39 -0.319 -0.63 -0.259 -0.208938564026647 -0.402421353574289 -1.5958 -0.8458 3019787 ChemDiv3_000332 CN(C)c1ccc(/C=N/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P03 compound treatment -2.533 -2.4 -3.42 -1.96 -1.89 -3.73 -2.358 -2.30793856402665 -4.44515240749647 -6.6924 -0.9939 1340347 ChemDiv3_000333 CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(c1O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P04 compound treatment -0.945 -0.816 -1.16 -0.512 -0.441 -0.87 -0.393 -0.342938564026647 -0.660508995892332 -1.5531 -0.9749 3019803 ChemDiv3_000334 COc1cccc2s/c(=N/C(=O)CC3(CC4CC5CC(C4)C3)C5)/n(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P05 compound treatment -1.088 -0.959 -1.36 -0.466 -0.395 -0.78 -0.057 -0.00693856402664701 -0.0133638629157471 -1.2444 -0.7926 1922875 ChemDiv3_000335 CCN(CC)C(=O)C1(CC2CC3C1)CC(C2)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P06 compound treatment -0.107 0.0224 0.03 0.128 0.199 0.39 -0.574 -0.523938564026647 -1.00911991573984 -0.3369 -0.3108 3117639 ChemDiv3_000336 O/N=C/c1cccc[n+]1CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P07 compound treatment -1.772 -1.64 -2.34 -1.635 -1.56 -3.09 -1.104 -1.05393856402665 -2.02991432192314 -4.3028 -0.9844 1035295 ChemDiv3_000337 CC(C)(C)N1C(=O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P08 compound treatment -1.107 -0.978 -1.39 -0.978 -0.907 -1.79 -0.234 -0.183938564026647 -0.354270674037341 -2.0405 -0.8896 1005478 ChemDiv3_000338 Nc1ccc(Oc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P09 compound treatment 0.26 0.389 0.55 0.305 0.376 0.74 0.67 0.720061435973353 1.38685789801871 1.5495 0.9289 1734538 ChemDiv3_000339 OC(=O)CCNC(=O)c1ccco1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P10 compound treatment 0.541 0.67 0.95 0.282 0.353 0.7 0.388 0.438061435973353 0.843718232841933 1.4404 0.9922 3117642 ChemDiv3_000340 CN(C)c1ccc(/C=C/2\CCC/C(=C\c3ccccc3)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P11 compound treatment -0.129 4.09E-4 0.0 -0.272 -0.201 -0.4 -0.17 -0.119938564026647 -0.231004934422753 -0.3617 -0.7889 1511725 ChemDiv3_000341 COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P12 compound treatment 0.615 0.744 1.06 -0.612 -0.541 -1.07 -0.667 -0.616938564026647 -1.18824044361729 -0.6912 -0.3607 1287341 ChemDiv3_000342 O=S(=O)(N1CCOCC1)c2cccc(c2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P13 compound treatment -0.306 -0.177 -0.25 0.058 0.129 0.26 0.048 0.098061435973353 0.188868991139436 0.1116 0.2757 1166133 ChemDiv3_000343 CN(C)CCOC(=O)c1ccc2n(CCN(C)C)c(C)c(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P14 compound treatment -1.51 -1.38 -1.96 -0.425 -0.354 -0.7 -0.364 -0.313938564026647 -0.604654207629472 -1.8854 -0.8691 1920545 ChemDiv3_000344 O=c1cc([nH]c(=S)[nH]1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P15 compound treatment -1.375 -1.25 -1.77 -1.94 -1.87 -3.69 -1.527 -1.47693856402665 -2.84462381968831 -4.7949 -0.9621 3117643 ChemDiv3_000345 Oc1ccc(Br)cc1/C=N\CC2(CC3CC4CC(C3)CC2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P16 compound treatment -2.172 -2.04 -2.9 -1.897 -1.83 -3.6 -1.448 -1.39793856402665 -2.69246767235155 -5.3123 -0.992 1350693 ChemDiv3_000346 Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P17 compound treatment -1.215 -1.09 -1.54 0.532 0.603 1.19 -0.254 -0.203938564026647 -0.3927912176669 -0.43 -0.2162 1509469 ChemDiv3_000347 CCN(CC)C(=O)c1cc(nc2ccccc12)c3cc(C(=O)N(CC)CC)c4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P18 compound treatment 0.173 0.302 0.43 1.385 1.46 2.43 -0.922 -0.871938564026647 -1.67937737489416 0.6815 0.2283 3019852 ChemDiv3_000348 O/N=C(\Cn1cncn1)/c2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P19 compound treatment -1.333 -1.2 -1.71 -1.0 -0.929 -1.83 -0.727 -0.676938564026647 -1.30380207450596 -2.7993 -0.9903 1127886 ChemDiv3_000349 C(Cc1nc2ccccc2o1)Cc3nc4ccccc4o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P20 compound treatment -0.728 -0.599 -0.85 -0.529 -0.458 -0.9 -0.351 -0.300938564026647 -0.579615854270259 -1.3476 -0.9838 1524725 ChemDiv3_000350 COC(=O)c1cccc(n1)C(=O)Nc2cnc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P21 compound treatment 1.072 1.2 1.65 -2.825 -2.75 -5.44 -3.469 -3.41893856402665 -6.58496860611845 -5.9876 -0.6884 1740437 ChemDiv3_000351 OC(CNCc1ccccc1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P22 compound treatment -2.091 -1.96 -2.79 -2.171 -2.1 -4.15 -0.522 -0.471938564026647 -0.908966502302985 -4.5285 -0.8917 3019853 ChemDiv3_000352 Brc1ccc(cc1)S(=O)(=O)/N=C(\Oc2ccccc2)/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P23 mock treatment -0.387 -0.258 -0.37 -0.033 0.0384 0.08 0.296 0.346061435973353 0.666523732145963 0.2172 0.2842 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2001 P24 mock treatment -0.333 -0.204 -0.29 0.141 0.212 0.42 0.308 0.358061435973353 0.689636058323698 0.4732 0.5518 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A01 compound treatment -1.836 -1.71 -2.43 -0.933 -0.862 -1.7 -1.043 -0.992938564026647 -1.91242666385299 -3.4872 -0.9888 3117644 ChemDiv3_000353 Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A02 compound treatment -2.477 -2.35 -3.34 -1.15 -1.08 -2.13 -2.27 -2.21993856402665 -4.27566201552641 -5.6252 -0.9653 1625003 ChemDiv3_000354 NS(=O)(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A03 compound treatment -1.562 -1.43 -2.04 -1.22 -1.15 -2.27 -1.235 -1.18493856402665 -2.28222388269675 -3.803 -0.9987 1914243 ChemDiv3_000355 O=C(Oc1ccc2ccccc2c1)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A04 compound treatment -0.698 -0.569 -0.81 0.1 0.171 0.34 0.201 0.251061435973353 0.483551149905559 0.0079 0.0079 1922486 ChemDiv3_000356 O=C/1NC(=S)S\C1=C\Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A05 compound treatment -1.128 -0.999 -1.42 -0.627 -0.556 -1.1 -1.303 -1.25293856402665 -2.41319373103725 -2.8463 -0.9465 1148913 ChemDiv3_000357 CC(C)(C)NC(=O)c1ccc2C(=O)c3ccccc3-c4onc1c42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A06 compound treatment -0.871 -0.742 -1.05 -0.939 -0.868 -1.71 -1.197 -1.14693856402665 -2.20903484980059 -2.8731 -0.9617 1082370 ChemDiv3_000358 NCCSC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A07 compound treatment -1.018 -0.889 -1.26 0.039 0.11 0.22 -1.203 -1.15293856402665 -2.22059101288946 -1.8856 -0.7354 1561720 ChemDiv3_000359 Cc1ccc2nc(cc(C(=O)Nc3ccccc3)c2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A08 compound treatment 0.05 0.179 0.26 -0.245 -0.174 -0.34 -0.797 -0.746938564026647 -1.43862397720942 -0.8812 -0.5872 1739494 ChemDiv3_000360 CC(=O)Nc1c(N)c2ccccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A09 compound treatment -0.078 0.0514 0.07 -0.698 -0.627 -1.24 -0.109 -0.058938564026647 -0.1135172763526 -0.7376 -0.5927 1726014 ChemDiv3_000361 C(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Cc4c[nH]c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A10 compound treatment -0.066 0.0634 0.09 0.118 0.189 0.37 0.196 0.246061435973353 0.47392101399817 0.5416 0.8873 1003179 ChemDiv3_000362 COc1ccc(cc1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A11 compound treatment -0.072 0.0574 0.08 -0.807 -0.736 -1.45 -1.239 -1.18893856402665 -2.28992799142266 -2.1135 -0.7791 1574213 ChemDiv3_000363 COc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A12 compound treatment 0.066 0.195 0.28 -0.189 -0.118 -0.23 -0.132 -0.081938564026647 -0.157815901526592 -0.0647 -0.1639 3117645 ChemDiv3_000364 COc1ccc(/C=N/c2ccc(cc2)C(=O)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A13 compound treatment -1.59 -1.46 -2.08 -1.121 -1.05 -2.07 -0.899 -0.848938564026647 -1.63507874972017 -3.3394 -0.9943 3019887 ChemDiv3_000365 O/N=C(/c1ccccc1)\c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A14 compound treatment -1.779 -1.65 -2.35 -1.186 -1.11 -2.2 -1.653 -1.60293856402665 -3.08730324455453 -4.4071 -0.9886 1478079 ChemDiv3_000366 Fc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A15 compound treatment -1.045 -0.916 -1.3 -0.444 -0.373 -0.74 -0.718 -0.667938564026647 -1.28646782987266 -1.919 -0.9729 3117646 ChemDiv3_000367 Cn1c2ccc(/N=C/c3ccccc3O)cc2c4nc5ccccc5nc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A16 compound treatment -0.862 -0.733 -1.04 -0.892 -0.821 -1.62 -0.403 -0.352938564026647 -0.679769267707112 -1.9293 -0.9445 1190781 ChemDiv3_000368 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(c4ccccc4)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A17 compound treatment -0.009 0.12 0.17 0.529 0.6 1.19 -0.052 -0.001938564026647 -0.00373372700835743 0.7812 0.6521 3019890 ChemDiv3_000369 CCOC(=O)n1c(=S)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A18 compound treatment -0.826 -0.697 -0.99 -0.014 0.0574 0.11 -0.75 -0.699938564026647 -1.34810069967995 -1.2847 -0.7662 1644186 ChemDiv3_000370 CCOC(=O)COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A19 compound treatment -1.049 -0.92 -1.31 -0.87 -0.799 -1.58 -2.057 -2.00693856402665 -3.86541822587161 -3.8969 -0.8908 3117647 ChemDiv3_000371 COc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A20 compound treatment 0.275 0.404 0.57 -0.491 -0.42 -0.83 -1.276 -1.22593856402665 -2.36119099713735 -1.5096 -0.5879 1428551 ChemDiv3_000372 CCCC1(CCC2(CC1)c3ccc(C#N)cc3)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A21 compound treatment -0.384 -0.255 -0.36 -0.019 0.0524 0.1 -0.16 -0.109938564026647 -0.211744662607974 -0.2715 -0.6284 3019912 ChemDiv3_000373 CC(C(=O)c1ccccc1)[n+]2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A22 compound treatment -1.031 -0.902 -1.28 -0.301 -0.23 -0.45 -0.942 -0.891938564026647 -1.71789791852372 -1.9936 -0.91 3117648 ChemDiv3_000374 Cc1cccc(NC(=O)CN2C(=O)/C(=N\N)/c3ccccc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A23 mock treatment -1.587 -1.46 -2.07 0.109 0.18 0.36 0.054 0.104061435973353 0.200425154228303 -0.8751 -0.4143 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 A24 mock treatment -0.887 -0.758 -1.08 -0.083 -0.0116 -0.02 0.31 0.360061435973353 0.693488112686654 -0.2347 -0.1832 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B01 compound treatment -1.803 -1.67 -2.38 -1.562 -1.49 -2.94 -1.833 -1.78293856402665 -3.43398813722055 -5.0556 -0.9893 3117649 ChemDiv3_000375 CCOC(=O)c1ccc(/N=C/c2ccc3OCOc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B02 compound treatment -1.284 -1.15 -1.64 -1.06 -0.989 -1.95 -0.71 -0.659938564026647 -1.27105961242084 -2.8086 -0.9856 1617961 ChemDiv3_000376 CC(C)OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(=O)OC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B03 compound treatment -1.024 -0.895 -1.27 0.116 0.187 0.37 -1.025 -0.974938564026647 -1.87775817458638 -1.6048 -0.6983 1656957 ChemDiv3_000377 CC1(CN2CN3C1)C(=O)C(C2)(C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B04 compound treatment -0.625 -0.496 -0.7 -0.559 -0.488 -0.96 -0.71 -0.659938564026647 -1.27105961242084 -1.6965 -0.9732 3117650 ChemDiv3_000378 COc1ccc(/C=C/2\C(C)CCC(C)(C(C)C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B05 compound treatment -0.985 -0.856 -1.22 -0.576 -0.505 -1.0 -1.048 -0.997938564026647 -1.92205679976038 -2.3872 -0.9613 1688345 ChemDiv3_000379 Oc1nc2SCCCn2c(=O)c1Cc3cc(Cl)cc(Cl)c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B06 compound treatment -0.475 -0.346 -0.49 -1.0 -0.929 -1.83 -1.009 -0.958938564026647 -1.84694173968274 -2.4086 -0.9094 3020471 ChemDiv3_000380 COc1ccc(cc1)c2c(C)s/c(=N\c3ccc(C)cc3)/n2CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B07 compound treatment -0.875 -0.746 -1.06 -0.455 -0.384 -0.76 -0.761 -0.710938564026647 -1.36928699867621 -1.8398 -0.9734 1735047 ChemDiv3_000381 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B08 compound treatment -1.209 -1.08 -1.53 -1.746 -1.67 -3.31 -2.029 -1.97893856402665 -3.81148946479023 -4.9957 -0.9472 3020472 ChemDiv3_000382 COc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B09 compound treatment -0.9 -0.771 -1.1 -1.143 -1.07 -2.12 -2.025 -1.97493856402665 -3.80378535606432 -4.0502 -0.9024 3020473 ChemDiv3_000383 CN(C)c1ccc(/C=N/c2cc(Br)c3OCCOc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B10 compound treatment -0.214 -0.0846 -0.12 -0.265 -0.194 -0.38 -0.494 -0.443938564026647 -0.855037741221603 -0.7838 -0.83 3020474 ChemDiv3_000384 O=C1NC(=O)C(=Cc2ccc(o2)c3ccccc3)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B11 compound treatment -0.375 -0.246 -0.35 -1.444 -1.37 -2.71 -0.184 -0.133938564026647 -0.257969314963444 -1.9152 -0.6978 3117651 ChemDiv3_000385 C(CSc1nc2ccccc2n1CCOc3ccccc3)Oc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B12 compound treatment -0.846 -0.717 -1.02 -0.922 -0.851 -1.68 -0.171 -0.120938564026647 -0.232930961604231 -1.6923 -0.8555 3020475 ChemDiv3_000386 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B13 compound treatment -0.15 -0.0206 -0.03 -0.156 -0.0846 -0.17 -0.254 -0.203938564026647 -0.3927912176669 -0.3401 -0.7949 3117652 ChemDiv3_000387 CN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B14 compound treatment -1.394 -1.26 -1.8 -1.284 -1.21 -2.39 -1.1 -1.04993856402665 -2.02221021319723 -3.5879 -0.993 1709090 ChemDiv3_000388 CC(C)(C)NC(=S)NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B15 compound treatment -0.824 -0.695 -0.99 -0.179 -0.108 -0.21 -1.182 -1.13193856402665 -2.18014444207842 -1.9515 -0.8122 1222580 ChemDiv3_000389 C(n1ccc2ccccc12)C3(OCCO3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B16 compound treatment 0.0 0.129 0.18 -0.207 -0.136 -0.27 -0.324 -0.273938564026647 -0.527613120370355 -0.3529 -0.5696 3020476 ChemDiv3_000390 Cn1c[n+](C)cc1C(O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B17 compound treatment -0.447 -0.318 -0.45 -0.079 -0.00756 -0.01 -0.462 -0.411938564026647 -0.793404871414309 -0.7274 -0.7967 3117653 ChemDiv3_000391 C(=N/c1ccc2ccccc2c1)\c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B18 compound treatment -0.101 0.0284 0.04 -0.219 -0.148 -0.29 -0.417 -0.366938564026647 -0.706733648247802 -0.5529 -0.7223 3117654 ChemDiv3_000392 CC1(C)Cc2ccccc2/C(=N/c3nc(cs3)c4ccccc4)/N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B19 compound treatment -0.594 -0.465 -0.66 -0.709 -0.638 -1.26 -0.524 -0.473938564026647 -0.912818556665941 -1.6352 -0.9679 1338386 ChemDiv3_000393 CCC1(CC2CC3(O)CC(O)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B20 compound treatment -0.176 -0.0466 -0.07 -0.845 -0.774 -1.53 -1.426 -1.37593856402665 -2.65009507435904 -2.4501 -0.8008 1917487 ChemDiv3_000394 CC(/N=C/c1c(O)ccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B21 compound treatment 0.01 0.139 0.2 0.909 0.98 1.94 0.663 0.713061435973353 1.37337570774836 2.025 0.8502 3117655 ChemDiv3_000395 S=C/1OC(=C\C1=C/N2CCCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B22 compound treatment -0.012 0.117 0.17 -0.265 -0.194 -0.38 -0.403 -0.352938564026647 -0.679769267707112 -0.5167 -0.6479 3020477 ChemDiv3_000396 Cc1c(/N=C/2\SCC(=O)N2/N=C\c3ccc(Br)cc3)c(=O)n(c4ccccc4)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B23 mock treatment 0.348 0.477 0.68 0.032 0.103 0.2 -0.291 -0.240938564026647 -0.464054223381583 0.2419 0.2855 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 B24 mock treatment 0.706 0.835 1.19 -0.094 -0.0226 -0.04 -0.029 0.021061435973353 0.040564898165635 0.6835 0.5747 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C01 compound treatment -2.071 -1.94 -2.76 -1.63 -1.56 -3.08 -1.754 -1.70393856402665 -3.2818319898838 -5.2653 -0.9975 3117656 ChemDiv3_000397 O/N=C\1/C(=O)N(CC(=O)Nc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C02 compound treatment -0.831 -0.702 -1.0 -0.461 -0.39 -0.77 -0.923 -0.872938564026647 -1.68130340207564 -1.9907 -0.9476 1329935 ChemDiv3_000398 O=C1N(CCC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C03 compound treatment -1.177 -1.05 -1.49 -1.354 -1.28 -2.53 -1.046 -0.995938564026647 -1.91820474539742 -3.4295 -0.9774 3020478 ChemDiv3_000399 Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C04 compound treatment -0.474 -0.345 -0.49 -0.368 -0.297 -0.59 0.0 0.050061435973353 0.096419686428495 -0.5653 -0.7345 3117657 ChemDiv3_000400 Cc1cc(C)c2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C05 compound treatment -0.81 -0.681 -0.97 -0.804 -0.733 -1.45 -0.417 -0.366938564026647 -0.706733648247802 -1.8018 -0.9593 1721945 ChemDiv3_000401 Cc1ccc2c(=O)c(coc2c1)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C06 compound treatment -1.247 -1.12 -1.59 -1.795 -1.72 -3.4 -1.958 -1.90793856402665 -3.6747415349053 -5.0038 -0.9523 1169311 ChemDiv3_000402 OC(=O)CSC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C07 compound treatment -0.049 0.0804 0.11 0.658 0.729 1.44 -0.042 0.00806143597335299 0.0155265448064219 0.9065 0.6274 3117658 ChemDiv3_000403 COc1ccc(/C=C/2\CCCC3=C2NC(=S)NC3c4ccc(OC)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C08 compound treatment -0.708 -0.579 -0.82 -0.594 -0.523 -1.03 -1.141 -1.09093856402665 -2.10117732763783 -2.2838 -0.9204 1345307 ChemDiv3_000404 Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C09 compound treatment -0.059 0.0704 0.1 -0.458 -0.387 -0.76 -1.014 -0.963938564026647 -1.85657187559013 -1.4548 -0.7238 3117659 ChemDiv3_000405 Cc1sc(/N=C/c2ccccc2O)c(C#N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C10 compound treatment 0.169 0.298 0.42 -1.241 -1.17 -2.31 -0.468 -0.417938564026647 -0.804961034503177 -1.5531 -0.6257 1625198 ChemDiv3_000406 COc1ccc(cc1OC)c2cnn(c2N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C11 compound treatment -0.076 0.0534 0.08 -1.069 -0.998 -1.97 -0.155 -0.104938564026647 -0.202114526700584 -1.2101 -0.6107 1460903 ChemDiv3_000407 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C12 compound treatment 0.038 0.167 0.24 -1.391 -1.32 -2.61 0.07 0.120061435973353 0.23124158913195 -1.2334 -0.4696 3020479 ChemDiv3_000408 Fc1ccccc1/C=N/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C13 compound treatment -0.509 -0.38 -0.54 -0.286 -0.215 -0.42 -0.386 -0.335938564026647 -0.647026805621987 -0.9298 -0.9859 1489098 ChemDiv3_000409 CN1C2CCC1CC(C2)OC(=O)CCN3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C14 compound treatment -1.069 -0.94 -1.34 -0.478 -0.407 -0.8 -0.714 -0.663938564026647 -1.27876372114675 -1.973 -0.9787 3117660 ChemDiv3_000410 CC(=O)NC1C(O)C(O)C(CO)OC1OCCOc2ccc(Cl)cc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C15 compound treatment -1.0 -0.871 -1.24 -1.308 -1.24 -2.44 -1.078 -1.02793856402665 -1.97983761520472 -3.2674 -0.9671 3020480 ChemDiv3_000411 Fc1ccccc1/C=C\2/SC(=O)N(CN3CCCCC3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C16 compound treatment -1.273 -1.14 -1.63 -2.095 -2.02 -4.0 -0.483 -0.432938564026647 -0.833851442225346 -3.727 -0.8483 3117661 ChemDiv3_000412 Cc1cs/c(=N\c2ccccc2)/n1CC(=O)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C17 compound treatment -1.032 -0.903 -1.28 -0.817 -0.746 -1.47 -0.521 -0.470938564026647 -0.907040475121507 -2.1145 -0.982 1338722 ChemDiv3_000413 O=c1oc2ccccc2n1CNc3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C18 compound treatment -0.217 -0.0876 -0.12 -0.14 -0.0686 -0.14 -0.387 -0.336938564026647 -0.648952832803465 -0.5247 -0.7779 3117662 ChemDiv3_000414 CCOc1ccc(cc1)[n+]2c(cn3CCCc32)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C19 compound treatment -0.821 -0.692 -0.98 -1.136 -1.06 -2.1 -0.949 -0.898938564026647 -1.73138010879406 -2.7809 -0.9605 3117663 ChemDiv3_000415 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C20 compound treatment -0.468 -0.339 -0.48 -1.391 -1.32 -2.61 -1.603 -1.55293856402665 -2.99100188548063 -3.5091 -0.8782 3020481 ChemDiv3_000416 CC(=C)C(=O)Nc1ccc(O)c(c1)c2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C21 compound treatment -0.095 0.0344 0.05 -0.329 -0.258 -0.51 -0.865 -0.814938564026647 -1.56959382554992 -1.1716 -0.7098 3117664 ChemDiv3_000417 CC(C(=O)c1ccccc1)[n+]2cccc(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C22 compound treatment 0.0 0.129 0.18 -1.348 -1.28 -2.52 -0.019 0.031061435973353 0.0598251699804143 -1.3145 -0.52 3020482 ChemDiv3_000418 N/C(=N\O)/C[n+]1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C23 mock treatment 0.0 0.129 0.18 0.083 0.154 0.3 0.154 0.204061435973353 0.393027872376096 0.5092 0.96 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 C24 mock treatment -0.699 -0.57 -0.81 0.058 0.129 0.26 0.155 0.205061435973353 0.394953899557574 -0.092 -0.0982 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D01 compound treatment -0.283 -0.154 -0.22 -0.082 -0.0106 -0.02 -0.159 -0.108938564026647 -0.209818635426496 -0.2593 -0.8541 3117665 ChemDiv3_000419 Brc1ccc(/C=N\C2C3CC4CC(C3)CC2C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D02 compound treatment -2.5 -2.37 -3.37 -2.773 -2.7 -5.33 -2.089 -2.03893856402665 -3.9270510956789 -7.293 -0.9813 1642252 ChemDiv3_000420 CC(C(CC(=O)O)C(=O)O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D03 compound treatment -1.0 -0.871 -1.24 -0.859 -0.788 -1.56 -0.125 -0.074938564026647 -0.144333711256246 -1.6958 -0.851 1348263 ChemDiv3_000421 CC(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D04 compound treatment -1.276 -1.15 -1.63 -0.42 -0.349 -0.69 -0.687 -0.636938564026647 -1.22676098724684 -2.0468 -0.9506 1509351 ChemDiv3_000422 COc1ccc(cc1OC)C(=O)Nc2ccc3C(=O)N(C)C(=O)c3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D05 compound treatment -0.915 -0.786 -1.12 -0.08 -0.00856 -0.02 -0.455 -0.404938564026647 -0.779922681143964 -1.1049 -0.811 3020483 ChemDiv3_000423 CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)N(CC)C1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D06 compound treatment -0.132 -0.00259 0.0 -0.256 -0.185 -0.36 -0.07 -0.019938564026647 -0.0384022162749602 -0.2347 -0.6404 3117666 ChemDiv3_000424 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(o2)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D07 compound treatment -0.741 -0.612 -0.87 -0.116 -0.0446 -0.09 -0.487 -0.436938564026647 -0.841555550951258 -1.0387 -0.8561 1529711 ChemDiv3_000425 Oc1cc2ccccc2cc1C(=O)Nc3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D08 compound treatment 1.757 1.89 1.97 0.857 0.928 1.83 0.261 0.311061435973353 0.599112780794235 2.5438 0.9218 3117667 ChemDiv3_000426 CN(C)c1ccc(cc1)c2cccc([o+]2)c3ccc(cc3)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D09 compound treatment 0.954 1.08 1.54 -2.207 -2.14 -4.22 -2.846 -2.79593856402665 -5.3850536720577 -4.6542 -0.6639 3020484 ChemDiv3_000427 Nc1nc2ccc(cc2s1)c3nc4ccccc4o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D10 compound treatment -1.19 -1.06 -1.51 -1.346 -1.27 -2.52 0.284 0.334061435973353 0.643411405968228 -1.9521 -0.6499 3117668 ChemDiv3_000428 Cn1c(c(/C=C\2/C(=O)Oc3ccccc3C2=O)c4ccccc14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D11 compound treatment -0.013 0.116 0.17 -0.966 -0.895 -1.77 -0.253 -0.202938564026647 -0.390865190485422 -1.1499 -0.633 3020485 ChemDiv3_000429 CCC1SC2=NCN(CN2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D12 compound treatment -0.017 0.112 0.16 -0.859 -0.788 -1.56 -0.767 -0.716938564026647 -1.38084316176508 -1.6028 -0.7684 1918348 ChemDiv3_000430 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D13 compound treatment -0.452 -0.323 -0.46 -0.783 -0.712 -1.4 -0.949 -0.898938564026647 -1.73138010879406 -2.0756 -0.9118 3117669 ChemDiv3_000431 CCN1/C(=C\2/SC(=S)NC2=O)/Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D14 compound treatment -1.493 -1.36 -1.94 -3.25 -3.18 -6.28 -2.311 -2.26093856402665 -4.35462912996701 -7.257 -0.9208 1556840 ChemDiv3_000432 Cc1ccc(NC(=S)NC(=O)C2(CC3CC4C2)CC(C3)CC4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D15 compound treatment -0.8 -0.671 -0.95 -0.873 -0.802 -1.58 -0.842 -0.791938564026647 -1.52529520037592 -2.3449 -0.9787 1257795 ChemDiv3_000433 O=C1CSC(N1CCc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D16 compound treatment -0.508 -0.379 -0.54 -0.25 -0.179 -0.35 -0.062 -0.011938564026647 -0.0229939988231368 -0.5276 -0.8194 3020486 ChemDiv3_000434 C[n+]1cc(ccc1/C=N/O)C(=O)NCCC[N+]2(C)CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D17 compound treatment -1.177 -1.05 -1.49 -0.818 -0.747 -1.47 -0.452 -0.401938564026647 -0.77414459959953 -2.158 -0.966 1486295 ChemDiv3_000435 C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5cccnc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D18 compound treatment 0.564 0.693 0.99 -0.121 -0.0496 -0.1 0.067 0.117061435973353 0.225463507587516 0.6429 0.6327 3117670 ChemDiv3_000436 Cc1cc2CC(C)(C)N/C(=N\c3ccccc3)/c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D19 compound treatment -0.4 -0.271 -0.38 0.549 0.62 1.23 -0.286 -0.235938564026647 -0.454424087474193 0.2228 0.1636 1377733 ChemDiv3_000437 OC(=O)C1(CC2CC3C1)CC(C2)C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D20 compound treatment -0.723 -0.594 -0.84 -0.489 -0.418 -0.82 0.053 0.103061435973353 0.198499127046825 -0.8487 -0.7093 1712241 ChemDiv3_000438 CCOc1ccc(Nc2nc3cc(C)ccc3cc2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D21 compound treatment 0.276 0.405 0.58 -0.115 -0.0436 -0.09 0.394 0.444061435973353 0.8552743959308 0.7769 0.7507 3020487 ChemDiv3_000439 N/C=C/1\C=C(OC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D22 compound treatment -1.262 -1.13 -1.61 -1.058 -0.987 -1.95 -0.039 0.011061435973353 0.0213046263508557 -2.0421 -0.8079 3117671 ChemDiv3_000440 Cc1cccc(Nc2nc3ccccn3c(=O)c2/C=N/c4cccc(C)c4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D23 mock treatment 0.206 0.335 0.48 0.193 0.264 0.52 0.074 0.124061435973353 0.238945697857862 0.7147 0.9576 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 D24 mock treatment -0.35 -0.221 -0.31 0.209 0.28 0.55 -0.18 -0.129938564026647 -0.250265206237533 -0.0059 -0.0086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E01 compound treatment 2.194 2.32 2.11 1.492 1.56 2.5 0.965 1.01506143597335 1.9550359165547 3.7931 0.9946 3020488 ChemDiv3_000441 O=C/1NC(=S)N\C1=C/c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E02 compound treatment -2.292 -2.16 -3.07 -2.017 -1.95 -3.84 -2.162 -2.11193856402665 -4.06765107992679 -6.3416 -0.9933 1159657 ChemDiv3_000442 CC1SC(=NC1(O)C2(CC3CC4CC(C3)C2)C4)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E03 compound treatment -1.354 -1.22 -1.74 -0.094 -0.0226 -0.04 -0.521 -0.470938564026647 -0.907040475121507 -1.5546 -0.7917 1407431 ChemDiv3_000443 Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E04 compound treatment -1.253 -1.12 -1.6 -0.844 -0.773 -1.53 -0.389 -0.338938564026647 -0.65280488716642 -2.1799 -0.9464 1509204 ChemDiv3_000444 COC(=O)C(C)Nc1cccc(Br)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E05 compound treatment -0.162 -0.0326 -0.05 -0.63 -0.559 -1.1 -3.344 -3.29393856402665 -6.34421520843371 -4.3263 -0.6718 3117672 ChemDiv3_000445 O=C(/C=C/c1ccco1)/C=C/c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E06 compound treatment -0.781 -0.652 -0.93 0.06 0.131 0.26 -0.425 -0.374938564026647 -0.722141865699626 -0.802 -0.6667 1168228 ChemDiv3_000446 CNC1(CC2CC3CC(S)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E07 compound treatment 1.297 1.43 1.78 1.091 1.16 2.2 1.529 1.57906143597335 2.42989342530057 3.6982 0.9921 3117673 ChemDiv3_000447 OC(=O)CCC(=O)N1N=C/2C(CCC\C2=C/c3ccc(F)cc3)C1c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E08 compound treatment -0.099 0.0304 0.04 -1.66 -1.59 -3.14 -2.866 -2.81593856402665 -5.42357421568726 -4.9173 -0.7848 1139169 ChemDiv3_000448 C1CCN(CC1)Sc2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E09 compound treatment -0.13 -5.91E-4 0.0 -0.036 0.0354 0.07 0.0 0.050061435973353 0.096419686428495 0.0956 0.8023 1916119 ChemDiv3_000449 Brc1ccc(cc1)C(=O)COC(=O)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E10 compound treatment -0.761 -0.632 -0.9 -0.379 -0.308 -0.61 -0.302 -0.251938564026647 -0.48524052237784 -1.1492 -0.9676 3020489 ChemDiv3_000450 Oc1ccc(Br)cc1/C=N/c2cc3OCCOc3cc2Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E11 compound treatment 0.542 0.671 0.95 -0.862 -0.791 -1.56 -1.429 -1.37893856402665 -2.65587315590347 -1.8835 -0.584 3117674 ChemDiv3_000451 NC(=S)NC(=O)/C=C/c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E12 compound treatment 0.236 0.365 0.52 -0.984 -0.913 -1.8 0.043 0.093061435973353 0.179238855232046 -0.6369 -0.3381 3020490 ChemDiv3_000452 Fc1ccc(/N=C/c2ccccc2F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E13 compound treatment -1.523 -1.39 -1.98 -0.881 -0.81 -1.6 -0.375 -0.324938564026647 -0.625840506625729 -2.4282 -0.9262 1516214 ChemDiv3_000453 CN(Cc1ccccc1)C(=O)CN2CCCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E14 compound treatment -1.808 -1.68 -2.39 -1.746 -1.67 -3.31 -2.208 -2.15793856402665 -4.15624833027478 -5.6865 -0.9766 1022614 ChemDiv3_000454 OCCNC(=O)COc1ccc(Cl)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E15 compound treatment -1.853 -1.72 -2.45 -1.387 -1.32 -2.6 -1.648 -1.59793856402665 -3.07767310864714 -4.6915 -0.9951 3117675 ChemDiv3_000455 Cc1ccc(cc1)c2cs/c(=N/C(=O)Nc3ccccc3)/[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E16 compound treatment -1.434 -1.3 -1.85 -0.961 -0.89 -1.76 -0.342 -0.291938564026647 -0.562281609636958 -2.4096 -0.9212 3020491 ChemDiv3_000456 Clc1ccc(cc1Cl)c2cnc3CCCn23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E17 compound treatment -0.177 -0.0476 -0.07 -0.234 -0.163 -0.32 -0.364 -0.313938564026647 -0.604654207629472 -0.5735 -0.8337 3117676 ChemDiv3_000457 CCSc1nnc(NC(=O)/C=C/c2ccccc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E18 compound treatment 2.203 2.33 2.12 1.48 1.55 2.49 1.697 1.74706143597335 2.52858595206987 4.1212 0.9969 1523604 ChemDiv3_000458 CC(C)C1CCC(C)CC1OCC(O)C[N+]2(C)CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E19 compound treatment -0.406 -0.277 -0.39 -0.233 -0.162 -0.32 1.03 1.08006143597335 2.05071492510606 0.7728 0.3658 3020492 ChemDiv3_000459 O=C(/C=C\1/Nc2ccccc2NC1=O)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E20 compound treatment 0.207 0.336 0.48 0.259 0.33 0.65 0.195 0.245061435973353 0.471994986816692 0.9253 0.988 3117677 ChemDiv3_000460 c1ccc2[nH]c(nc2c1)c3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E21 compound treatment 0.037 0.166 0.24 0.321 0.392 0.77 -0.038 0.012061435973353 0.0232306535323336 0.5974 0.737 3020493 ChemDiv3_000461 O=C1N(C(=O)C(=Cc2ccccc2)C(=O)N1c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E22 compound treatment -0.396 -0.267 -0.38 -0.109 -0.0376 -0.07 0.052 0.102061435973353 0.196573099865347 -0.1482 -0.3419 1013141 ChemDiv3_000462 C[n+]1cccc(c1)C(=O)NO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E23 mock treatment -0.675 -0.546 -0.78 0.047 0.118 0.23 -0.049 0.00106143597335299 0.00204435453607635 -0.3117 -0.3847 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 E24 mock treatment -0.303 -0.174 -0.25 0.032 0.103 0.2 0.222 0.272061435973353 0.523997720716596 0.278 0.4526 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F01 compound treatment -0.363 -0.234 -0.33 -0.932 -0.861 -1.7 -0.899 -0.848938564026647 -1.63507874972017 -2.1168 -0.8889 1512742 ChemDiv3_000463 CN(C)CCNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F02 compound treatment -1.016 -0.887 -1.26 -1.203 -1.13 -2.23 -0.577 -0.526938564026647 -1.01489799728427 -2.6037 -0.9438 1734477 ChemDiv3_000464 O=c1n(Cc2ccccc2)c3ccccc3n1Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F03 compound treatment -0.857 -0.728 -1.03 -0.192 -0.121 -0.24 0.219 0.269061435973353 0.518219639172162 -0.4355 -0.3687 3117678 ChemDiv3_000465 CCN(CC)C(=S)Sc1ncnc2sc3CCCCc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F04 compound treatment -1.19 -1.06 -1.51 -0.508 -0.437 -0.86 -0.682 -0.631938564026647 -1.21713085133945 -2.071 -0.9765 3020494 ChemDiv3_000466 COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F05 compound treatment -0.625 -0.496 -0.7 -0.309 -0.238 -0.47 -0.726 -0.675938564026647 -1.30187604732448 -1.4293 -0.9204 3020545 ChemDiv3_000467 C=CCN1C(=O)NC(=O)/C(=C/c2ccco2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F06 compound treatment -0.5 -0.371 -0.53 -0.935 -0.864 -1.71 -1.402 -1.35193856402665 -2.60387042200357 -2.792 -0.8844 1529101 ChemDiv3_000468 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F07 compound treatment -1.587 -1.46 -2.07 -2.322 -2.25 -4.44 -2.306 -2.25593856402665 -4.34499899405962 -6.2707 -0.9572 1408295 ChemDiv3_000469 Clc1ccc(OCC(=O)CC(=O)c2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F08 compound treatment -0.368 -0.239 -0.34 -1.375 -1.3 -2.57 -1.609 -1.55893856402665 -3.0025580485695 -3.4154 -0.8605 1428920 ChemDiv3_000470 Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F09 compound treatment -0.296 -0.167 -0.24 -1.661 -1.59 -3.14 -1.959 -1.90893856402665 -3.67666756208677 -4.0716 -0.8412 1291361 ChemDiv3_000471 Nc1ccc(cc1)C(=O)OCc2nc3cc4ccccc4cc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F10 compound treatment -0.612 -0.483 -0.69 -1.197 -1.13 -2.22 -1.347 -1.29693856402665 -2.49793892702228 -3.1215 -0.9145 1234670 ChemDiv3_000472 CCOC(=O)c1oc2ccccc2c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F11 compound treatment 0.365 0.494 0.7 -0.661 -0.59 -1.16 -0.122 -0.071938564026647 -0.138555629711813 -0.3462 -0.2533 1627155 ChemDiv3_000473 CN1C(=O)C(O)N(C1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F12 compound treatment 0.119 0.248 0.35 -0.581 -0.51 -1.01 -0.143 -0.092938564026647 -0.179002200522849 -0.4803 -0.4442 3020546 ChemDiv3_000474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F13 compound treatment 0.25 0.379 0.54 -0.56 -0.489 -0.96 -0.808 -0.757938564026647 -1.45981027620567 -1.0883 -0.5944 3117679 ChemDiv3_000475 CCN1/C(=C\2/SC(=S)N(CC=C)C2=O)/Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F14 compound treatment -3.75 -3.62 -5.15 -4.621 -4.55 -8.98 -4.0 -3.94993856402665 -7.60768903948323 -12.5508 -0.9769 3117681 ChemDiv3_000476 Cc1ccc(cc1)C2(CC3CC4CC(C3)(C2)C(=O)NC5=NCCS5)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F15 compound treatment -0.991 -0.862 -1.22 -0.353 -0.282 -0.56 -1.353 -1.30293856402665 -2.50949509011115 -2.4771 -0.87 1673178 ChemDiv3_000477 COc1cc(cc(OC)c1OC)C2SC(C)C(=O)N2CCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F16 compound treatment -0.932 -0.803 -1.14 -0.817 -0.746 -1.47 -0.781 -0.730938564026647 -1.40780754230577 -2.3215 -0.9943 3117682 ChemDiv3_000478 COC(=O)/C=C/S(=O)(=O)c1ccc(NC(=O)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F17 compound treatment -0.895 -0.766 -1.09 -0.758 -0.687 -1.36 -0.134 -0.083938564026647 -0.161667955889548 -1.5045 -0.8616 1500308 ChemDiv3_000479 Cc1ccc2c(=O)cc(oc2c1)c3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F18 compound treatment -0.104 0.0254 0.04 0.116 0.187 0.37 0.287 0.337061435973353 0.649189487512661 0.6093 0.8145 3020547 ChemDiv3_000480 CC(=C1C(=NN(C1=O)c2ccccc2)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F19 compound treatment -0.325 -0.196 -0.28 -0.062 0.00944 0.02 0.048 0.098061435973353 0.188868991139436 -0.0408 -0.121 1047176 ChemDiv3_000481 CCOC(=O)c1cc[nH]c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F20 compound treatment -0.184 -0.0546 -0.08 -0.138 -0.0666 -0.13 -0.348 -0.297938564026647 -0.573837772725825 -0.452 -0.7612 3117683 ChemDiv3_000482 O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F21 compound treatment 0.045 0.174 0.25 -0.433 -0.362 -0.71 -0.681 -0.630938564026647 -1.21520482415798 -0.9706 -0.6783 3020548 ChemDiv3_000483 c1cc2cc(oc2s1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F22 compound treatment -0.488 -0.359 -0.51 -1.227 -1.16 -2.28 -1.578 -1.52793856402665 -2.94285120594368 -3.3107 -0.8809 1488230 ChemDiv3_000484 COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F23 mock treatment 0.232 0.361 0.51 -0.161 -0.0896 -0.18 0.135 0.185061435973353 0.356433355928016 0.4004 0.616 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 F24 mock treatment 0.129 0.258 0.37 -0.048 0.0234 0.05 0.042 0.092061435973353 0.177312828050568 0.3412 0.8311 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G01 compound treatment -0.782 -0.653 -0.93 -0.397 -0.326 -0.64 -0.371 -0.320938564026647 -0.618136397899818 -1.2637 -0.9819 1360606 ChemDiv3_000485 CC(C)C(=O)Oc1cc(OC(=O)C(C)C)c2ccccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G02 compound treatment -1.691 -1.56 -2.22 -1.279 -1.21 -2.38 -1.154 -1.10393856402665 -2.12621568099704 -3.886 -0.9989 1922577 ChemDiv3_000486 Cc1[nH]c(=S)[nH]c1C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G03 compound treatment -1.903 -1.77 -2.52 -0.746 -0.675 -1.33 -1.182 -1.13193856402665 -2.18014444207842 -3.4836 -0.9704 1463550 ChemDiv3_000487 Fc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G04 compound treatment -0.636 -0.507 -0.72 -0.541 -0.47 -0.93 0.329 0.379061435973353 0.730082629134735 -0.5296 -0.3831 3020549 ChemDiv3_000488 COc1ccc(/C=C\2/SC(=S)N(C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G05 compound treatment -0.885 -0.756 -1.07 -0.213 -0.142 -0.28 0.096 0.146061435973353 0.281318295850376 -0.6192 -0.5407 3117684 ChemDiv3_000489 O=C/1/C(=C/c2ccccn2)/CC\C1=C/c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G06 compound treatment -0.286 -0.157 -0.22 -0.385 -0.314 -0.62 -0.586 -0.535938564026647 -1.03223224191757 -1.082 -0.8839 1021484 ChemDiv3_000490 O=C1CSC(N1Cc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G07 compound treatment -0.214 -0.0846 -0.12 -0.364 -0.293 -0.58 -0.213 -0.162938564026647 -0.313824103226304 -0.5841 -0.874 1308794 ChemDiv3_000491 Nc1ncc(s1)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G08 compound treatment 0.488 0.617 0.88 1.015 1.09 2.13 0.794 0.844061435973353 1.62568526852197 2.6751 0.9488 1604550 ChemDiv3_000492 CCN1CCCC1CNC(=O)c2cc(NC(=O)C)c(cc2OC)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G09 compound treatment -0.169 -0.0396 -0.06 -0.215 -0.144 -0.28 0.089 0.139061435973353 0.267836105580031 -0.0415 -0.1054 3020550 ChemDiv3_000493 Cn/1cccc\c1=N\c2cccc[n+]2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G10 compound treatment -0.152 -0.0226 -0.03 -3.012 -2.94 -5.81 -0.23 -0.179938564026647 -0.346566565311429 -3.5708 -0.6139 3020551 ChemDiv3_000494 Cc1ccc(/C=N/c2cccc(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G11 compound treatment -0.324 -0.195 -0.28 -1.225 -1.15 -2.28 0.126 0.176061435973353 0.339099111294714 -1.279 -0.5514 1452502 ChemDiv3_000495 Cc1cc(Nc2ccc(Cl)cc2)n3c4ccccc4nc3c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G12 compound treatment 0.101 0.23 0.33 -1.271 -1.2 -2.37 0.156 0.206061435973353 0.396879926739052 -0.9492 -0.3916 1609352 ChemDiv3_000496 Nc1ccc2[nH]c(nc2c1)c3ccccc3c4nc5cc(N)ccc5[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G13 compound treatment -1.855 -1.73 -2.45 -1.632 -1.56 -3.08 -0.958 -0.907938564026647 -1.74871435342736 -4.2051 -0.9758 3117685 ChemDiv3_000497 Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G14 compound treatment -0.963 -0.834 -1.19 -0.574 -0.503 -0.99 -0.344 -0.293938564026647 -0.566133663999913 -1.584 -0.9623 1253750 ChemDiv3_000498 COc1ccc(cc1)N(C2SC(=O)N(C2=O)c3ccccc3)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G15 compound treatment -0.933 -0.804 -1.14 -0.766 -0.695 -1.37 -0.419 -0.368938564026647 -0.710585702610758 -1.8617 -0.969 3020552 ChemDiv3_000499 Cc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G16 compound treatment -0.778 -0.649 -0.92 -0.785 -0.714 -1.41 0.239 0.289061435973353 0.556740182801721 -1.0244 -0.5776 3117686 ChemDiv3_000500 CCOc1ccc(cc1)[n+]2c(cn3CCCCCc32)c4ccc(OC)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G17 compound treatment -2.524 -2.39 -3.4 -1.0 -0.929 -1.83 -0.768 -0.717938564026647 -1.38276918894656 -3.8225 -0.9308 1162912 ChemDiv3_000501 CCc1ccc(cc1)c2nc3ccccc3c(=O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G18 compound treatment -0.353 -0.224 -0.32 -0.208 -0.137 -0.27 -0.556 -0.505938564026647 -0.974451426473235 -0.9018 -0.8509 1671355 ChemDiv3_000502 O=C(Oc1ccc2cc(OC(=O)c3ccccc3)ccc2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G19 compound treatment -0.794 -0.665 -0.94 -0.24 -0.169 -0.33 -0.471 -0.420938564026647 -0.810739116047611 -1.2058 -0.9356 1168078 ChemDiv3_000503 COC(=O)C1=C(C)NC(=O)NC1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G20 compound treatment -0.847 -0.718 -1.02 -2.154 -2.08 -4.11 -2.183 -2.13293856402665 -4.10809765073783 -5.335 -0.904 1591511 ChemDiv3_000504 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G21 compound treatment 0.261 0.39 0.56 0.209 0.28 0.55 0.219 0.269061435973353 0.518219639172162 0.9394 0.9995 1660119 ChemDiv3_000505 CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G22 compound treatment 0.339 0.468 0.67 -0.823 -0.752 -1.48 0.951 1.00106143597335 1.92807153601401 0.6409 0.2541 1447109 ChemDiv3_000506 CC(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G23 mock treatment 0.015 0.144 0.21 -0.014 0.0574 0.11 0.136 0.186061435973353 0.358359383109494 0.3909 0.9127 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 G24 mock treatment -0.065 0.0644 0.09 -0.057 0.0144 0.03 0.205 0.255061435973353 0.491255258631471 0.353 0.7052 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H01 compound treatment -1.643 -1.51 -2.15 -1.694 -1.62 -3.2 -2.109 -2.05893856402665 -3.96557163930846 -5.3817 -0.9725 1421806 ChemDiv3_000507 Nc1sc(c(Cc2ccccc2)c1C(=O)O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H02 compound treatment -0.223 -0.0936 -0.13 0.261 0.332 0.66 0.25 0.300061435973353 0.577926481797978 0.6358 0.7187 3020553 ChemDiv3_000508 Cc1ccc2n(CC=C)c(=O)n(CC=C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H03 compound treatment 2.611 2.74 2.22 1.397 1.47 2.44 2.311 2.36106143597335 2.81155022622969 4.3117 0.9952 3117687 ChemDiv3_000509 Clc1ccccc1/C=C/C=N/c2ccc(cc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H04 compound treatment -0.29 -0.161 -0.23 0.026 0.0974 0.19 -0.176 -0.125938564026647 -0.242561097511621 -0.1608 -0.418 1282292 ChemDiv3_000510 CC(C)CNP(=O)(OC1CC(C)CCC1C(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H05 compound treatment -0.538 -0.409 -0.58 -0.228 -0.157 -0.31 -0.009 0.041061435973353 0.0790854417951936 -0.4682 -0.7064 3020554 ChemDiv3_000511 CN1C(=O)N(C)C(=O)C(=CNC2(CC3CC4CC(C3)C2)C4)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H06 compound treatment 0.633 0.762 1.08 -0.462 -0.391 -0.77 -0.25 -0.199938564026647 -0.385087108940988 -0.0417 -0.0301 1916294 ChemDiv3_000512 O=C(NC(Sc1ncccn1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H07 compound treatment -1.824 -1.69 -2.41 -1.583 -1.51 -2.98 -1.147 -1.09693856402665 -2.11273349072669 -4.334 -0.9897 1433778 ChemDiv3_000513 OC(=O)CSc1nc2ccccc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H08 compound treatment -1.517 -1.39 -1.97 -0.99 -0.919 -1.81 -0.147 -0.096938564026647 -0.186706309248761 -2.294 -0.8539 1920143 ChemDiv3_000514 Sc1n[n+]2c(cc(nc2s1)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H09 compound treatment 0.279 0.408 0.58 -0.154 -0.0826 -0.16 -0.851 -0.800938564026647 -1.54262944500922 -0.6495 -0.3921 3020555 ChemDiv3_000515 Nc1cc(N)cc(c1)C(=O)OCN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H10 compound treatment -0.781 -0.652 -0.93 -0.667 -0.596 -1.18 0.363 0.413061435973353 0.795567553304984 -0.7545 -0.445 3117688 ChemDiv3_000516 O=C(NCc1ccccc1)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H11 compound treatment -0.081 0.0484 0.07 -0.726 -0.655 -1.29 0.153 0.203061435973353 0.391101845194619 -0.4807 -0.3555 3117689 ChemDiv3_000517 CCN1/C(=C\2/N(C(=S)N(C)C2=O)c3ccccc3)/C=Cc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H12 compound treatment -0.048 0.0814 0.12 -0.685 -0.614 -1.21 -0.825 -0.774938564026647 -1.4925527382908 -1.4944 -0.776 1591023 ChemDiv3_000518 CC(=O)Nc1ccc(NS(=O)(=O)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H13 compound treatment -0.477 -0.348 -0.49 -0.255 -0.184 -0.36 -0.547 -0.496938564026647 -0.957117181839934 -1.0472 -0.9214 3020556 ChemDiv3_000519 CC/C(=C\c1sc2ccc(OC)cc2[n+]1CC)/SCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H14 compound treatment -0.73 -0.601 -0.85 -1.761 -1.69 -3.34 -1.0 -0.949938564026647 -1.82960749504944 -3.4754 -0.8912 1680898 ChemDiv3_000520 S=C(NC1CCCCC1)C2(CC3CC4CC(C3)CC2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H15 compound treatment -0.792 -0.663 -0.94 -0.611 -0.54 -1.07 0.23 0.280061435973353 0.539405938168419 -0.8476 -0.5572 1183680 ChemDiv3_000521 Clc1ccccc1NC(=O)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H16 compound treatment -0.587 -0.458 -0.65 0.1 0.171 0.34 0.183 0.233061435973353 0.448882660638956 0.079 0.0919 1868581 ChemDiv3_000522 Nc1cc(=O)[nH]c(SCC=C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H17 compound treatment -0.754 -0.625 -0.89 0.352 0.423 0.84 -0.092 -0.041938564026647 -0.0807748142674747 -0.0766 -0.0627 1530765 ChemDiv3_000523 CC(C)(O)C1(CC2CC3C1)CC(C2)(C3)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H18 compound treatment -0.288 -0.159 -0.23 -0.605 -0.534 -1.05 -0.075 -0.024938564026647 -0.0480323521823499 -0.7662 -0.7104 1142850 ChemDiv3_000524 CC1(C)CC(C)(O)P(=O)(O1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H19 compound treatment -0.693 -0.564 -0.8 -0.483 -0.412 -0.81 -0.506 -0.455938564026647 -0.878150067399338 -1.4388 -0.9992 1258965 ChemDiv3_000525 COC(OC)(C(=O)c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H20 compound treatment -3.463 -3.33 -4.74 -1.731 -1.66 -3.28 -0.426 -0.375938564026647 -0.724067892881104 -5.0463 -0.8689 1712075 ChemDiv3_000526 Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H21 compound treatment 0.304 0.433 0.62 -1.057 -0.986 -1.95 -1.225 -1.17493856402665 -2.26296361088197 -2.0743 -0.6806 3020557 ChemDiv3_000527 CC(C)(C)N/C=C\1/C=C(SC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H22 compound treatment -1.145 -1.02 -1.44 -0.941 -0.87 -1.72 -0.378 -0.327938564026647 -0.631618588170163 -2.1896 -0.9395 1374190 ChemDiv3_000528 COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H23 mock treatment -0.07 0.0594 0.08 -0.058 0.0134 0.03 0.012 0.062061435973353 0.11953201260623 0.1331 0.8948 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 H24 mock treatment -0.161 -0.0316 -0.04 0.074 0.145 0.29 -0.048 0.002061435973353 0.00397038171755429 0.1422 0.489 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I01 compound treatment -1.214 -1.08 -1.54 -0.119 -0.0476 -0.09 -0.329 -0.278938564026647 -0.537243256277745 -1.2547 -0.7671 1677573 ChemDiv3_000529 CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I02 compound treatment -1.85 -1.72 -2.45 -1.649 -1.58 -3.11 -1.612 -1.56193856402665 -3.00833613011393 -4.9476 -0.9948 1561089 ChemDiv3_000530 C1C2CC3CC1CC(C2)(C3)c4coc(n4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I03 compound treatment -1.716 -1.59 -2.26 -1.828 -1.76 -3.47 -1.841 -1.79093856402665 -3.44939635467238 -5.2963 -0.9832 1284188 ChemDiv3_000531 CN(C)c1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I04 compound treatment -0.689 -0.56 -0.8 -0.326 -0.255 -0.5 -1.457 -1.40693856402665 -2.70980191698485 -2.3141 -0.8067 3020558 ChemDiv3_000532 O=C/1N(CNc2ccccc2)C(=S)S\C1=C\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I05 compound treatment 0.357 0.486 0.69 0.689 0.76 1.5 0.61 0.660061435973353 1.27129626713003 2.0001 0.9591 3117690 ChemDiv3_000533 O=C/1/C(=C/c2cc3ccccc3o2)/CC\C1=C/c4cc5ccccc5o4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I06 compound treatment -1.58 -1.45 -2.06 -1.489 -1.42 -2.8 -1.855 -1.80493856402665 -3.47636073521307 -4.8138 -0.9791 1740048 ChemDiv3_000534 Cc1ccc(cc1C)C2(CC3CC4CC(CN)(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I07 compound treatment -0.929 -0.8 -1.14 -1.091 -1.02 -2.01 -2.214 -2.16393856402665 -4.16780449336365 -4.2249 -0.8865 3117691 ChemDiv3_000535 CC(C)C1CCC(C)/C(=C\c2ccc(N)cc2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I08 compound treatment 0.432 0.561 0.8 0.0 0.0714 0.14 -0.105 -0.054938564026647 -0.105813167626688 0.4812 0.5886 3020559 ChemDiv3_000536 Cc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I09 compound treatment 0.08 0.209 0.3 0.196 0.267 0.53 0.038 0.088061435973353 0.169608719324656 0.5747 0.913 3117692 ChemDiv3_000537 Cn1c(c2ccc3ccccc3n2)[n+](C)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I10 compound treatment -0.893 -0.764 -1.09 -0.316 -0.245 -0.48 -0.476 -0.425938564026647 -0.820369251955 -1.3792 -0.9552 3020560 ChemDiv3_000538 Cc1ccc(/C=N/c2cccc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I11 compound treatment 0.437 0.566 0.81 -0.349 -0.278 -0.55 -1.04 -0.989938564026647 -1.90664858230855 -0.9523 -0.4448 3117694 ChemDiv3_000539 CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I12 compound treatment 0.024 0.153 0.22 -1.017 -0.946 -1.87 -0.061 -0.010938564026647 -0.0210679716416588 -0.9642 -0.5129 1294664 ChemDiv3_000540 O=S(=O)(N1CCCc2ccccc12)c3ccc4ccccc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I13 compound treatment -0.855 -0.726 -1.03 -0.828 -0.757 -1.49 -0.771 -0.720938564026647 -1.38854727049099 -2.2598 -0.9887 3020561 ChemDiv3_000541 CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c3ccc(N)cc3)cc1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I14 compound treatment -0.632 -0.503 -0.71 -0.529 -0.458 -0.9 -0.762 -0.711938564026647 -1.37121302585769 -1.7258 -0.9637 1029333 ChemDiv3_000542 COc1ccc(cc1)S(=O)(=O)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I15 compound treatment -1.318 -1.19 -1.69 -0.569 -0.498 -0.98 -0.658 -0.607938564026647 -1.17090619898398 -2.2189 -0.9738 3117695 ChemDiv3_000543 Cc1ccc(cc1)N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I16 compound treatment -0.093 0.0364 0.05 -0.181 -0.11 -0.22 0.602 0.652061435973353 1.25588804967821 0.6301 0.494 3020562 ChemDiv3_000544 COc1ccc(cc1)C(=O)C[n+]2cc(c3ccc(OC)cc3)n4CCCCCc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I17 compound treatment 0.142 0.271 0.39 -0.05 0.0214 0.04 -0.097 -0.046938564026647 -0.0904049501748644 0.195 0.4893 1434553 ChemDiv3_000545 CCc1ccc(cc1)C(=O)Nc2ccc(Br)cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I18 compound treatment -1.071 -0.942 -1.34 -1.173 -1.1 -2.18 -0.962 -0.911938564026647 -1.75641846215328 -3.0428 -0.9816 3117696 ChemDiv3_000546 OC1=C(C(N(C1=O)c2ccccc2)c3ccccc3)C(=O)/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I19 compound treatment -0.183 -0.0536 -0.08 -0.422 -0.351 -0.69 -0.873 -0.822938564026647 -1.58500204300174 -1.3587 -0.7848 1267294 ChemDiv3_000547 COc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I20 compound treatment -0.63 -0.501 -0.71 -1.345 -1.27 -2.51 -2.284 -2.23393856402665 -4.3026263960671 -4.3469 -0.8635 1626144 ChemDiv3_000548 CC(C)C1CCC(=C(Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I21 compound treatment -0.308 -0.179 -0.25 0.19 0.261 0.52 -0.127 -0.076938564026647 -0.148185765619202 0.0659 0.1109 3020563 ChemDiv3_000549 Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I22 compound treatment -0.386 -0.257 -0.36 -0.441 -0.37 -0.73 -0.135 -0.084938564026647 -0.163593983071026 -0.7264 -0.873 1738105 ChemDiv3_000550 CNC(=O)C1OC(C)(OC1C(=O)NC)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I23 mock treatment -0.394 -0.265 -0.38 0.214 0.285 0.56 0.36 0.410061435973353 0.78978947176055 0.5642 0.5422 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 I24 mock treatment -0.355 -0.226 -0.32 0.083 0.154 0.3 0.088 0.138061435973353 0.265910078398553 0.1444 0.2797 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J01 compound treatment -1.194 -1.06 -1.51 -0.754 -0.683 -1.35 -1.132 -1.08193856402665 -2.08384308300452 -2.8551 -0.9822 3020564 ChemDiv3_000551 COc1ccccc1NC(=O)c2c(/N=C/c3c(O)ccc4ccccc34)cnn2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J02 compound treatment -0.282 -0.153 -0.22 -1.015 -0.944 -1.86 -0.839 -0.788938564026647 -1.51951711883149 -2.0782 -0.8609 3117697 ChemDiv3_000552 FC(F)(F)c1nc2cc(Cl)ccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J03 compound treatment 0.025 0.154 0.22 1.368 1.44 2.42 1.722 1.77206143597335 2.54233025118731 2.9905 0.8507 1921072 ChemDiv3_000553 Clc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J04 compound treatment -1.93 -1.8 -2.56 -1.879 -1.81 -3.57 -1.697 -1.64693856402665 -3.17204844053956 -5.37 -0.9912 1215794 ChemDiv3_000554 Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J05 compound treatment -0.37 -0.241 -0.34 -0.545 -0.474 -0.94 0.021 0.071061435973353 0.136866257239532 -0.6583 -0.655 3020627 ChemDiv3_000555 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J06 compound treatment -0.219 -0.0896 -0.13 -0.15 -0.0786 -0.16 -0.602 -0.551938564026647 -1.06304867682122 -0.7769 -0.7181 1612444 ChemDiv3_000556 O=C(NCn1ccc(=O)[nH]c1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J07 compound treatment -0.119 0.0104 0.01 0.237 0.308 0.61 -0.123 -0.072938564026647 -0.140481656893291 0.2791 0.4464 1318279 ChemDiv3_000557 S=C(N1CCOCC1)c2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J08 compound treatment -0.211 -0.0816 -0.12 -0.463 -0.392 -0.77 -0.653 -0.602938564026647 -1.16127606307659 -1.1838 -0.8456 1916211 ChemDiv3_000558 CC(=O)N[N+]1=C(N)c2ccccc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J09 compound treatment 0.169 0.298 0.42 -0.603 -0.532 -1.05 -0.42 -0.369938564026647 -0.712511729792236 -0.7724 -0.5774 3020628 ChemDiv3_000559 Cc1c(/C=C/2\SC(=NC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J10 compound treatment 0.04 0.169 0.24 -1.237 -1.17 -2.3 -1.158 -1.10793856402665 -2.13391978972295 -2.4217 -0.7693 1181384 ChemDiv3_000560 CCN(CC)Cn1c(=S)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J11 compound treatment -0.145 -0.0156 -0.02 -0.613 -0.542 -1.07 -0.053 -0.002938564026647 -0.00565975418983537 -0.6334 -0.5922 1918939 ChemDiv3_000561 CCn1c(C)nc2cc(ccc12)S(=O)(=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J12 compound treatment -0.065 0.0644 0.09 0.177 0.248 0.49 0.093 0.143061435973353 0.275540214305943 0.4952 0.8687 1013703 ChemDiv3_000562 OC(=O)CNc1ccc(cc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J13 compound treatment -0.597 -0.468 -0.66 -0.726 -0.655 -1.29 -1.055 -1.00493856402665 -1.93553899003072 -2.2475 -0.9285 3117698 ChemDiv3_000563 COc1ccc2cc(C(=O)NC(=O)C)/c(=N/c3ccccc3)/oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J14 compound treatment -1.205 -1.08 -1.53 -0.844 -0.773 -1.53 -1.0 -0.949938564026647 -1.82960749504944 -2.82 -0.9962 1005380 ChemDiv3_000564 O=C(Oc1cccc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J15 compound treatment -0.647 -0.518 -0.74 -0.784 -0.713 -1.41 -0.703 -0.652938564026647 -1.25757742215049 -1.9632 -0.9693 1320959 ChemDiv3_000565 Cc1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J16 compound treatment -1.768 -1.64 -2.33 -2.397 -2.33 -4.59 -1.591 -1.54093856402665 -2.96788955930289 -5.7097 -0.9607 3117699 ChemDiv3_000566 Cc1cccc(/C=N/c2ccc(cc2)c3nc4cc(C)c(C)cc4o3)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J17 compound treatment -0.262 -0.133 -0.19 -0.706 -0.635 -1.25 -0.561 -0.510938564026647 -0.984081562380625 -1.4004 -0.8729 1212050 ChemDiv3_000567 OC1(C2CC3CC(C2)CC1C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J18 compound treatment -0.049 0.0804 0.11 -0.571 -0.5 -0.99 -0.5 -0.449938564026647 -0.866593904310471 -1.0038 -0.7616 1521008 ChemDiv3_000568 CCN(CC)P1(=O)OC(C)(C)CC1(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J19 compound treatment 0.162 0.291 0.41 -0.186 -0.115 -0.23 -0.371 -0.320938564026647 -0.618136397899818 -0.2483 -0.3192 1778430 ChemDiv3_000569 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J20 compound treatment -0.19 -0.0606 -0.09 -0.821 -0.75 -1.48 -0.863 -0.812938564026647 -1.56574177118696 -1.8082 -0.8386 1147350 ChemDiv3_000570 Clc1cccc(NCN2C(=O)CCC2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J21 compound treatment 0.017 0.146 0.21 -1.354 -1.28 -2.53 -2.068 -2.01793856402665 -3.88660452486787 -3.5859 -0.7722 3020629 ChemDiv3_000571 CN(C)/C=C\1/C=C(SC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J22 compound treatment -0.336 -0.207 -0.29 -0.917 -0.846 -1.67 -0.868 -0.817938564026647 -1.57537190709435 -2.0431 -0.8828 3117701 ChemDiv3_000572 CC(CC(=O)Nc1ccccc1I)Cc2cc(C)cc(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J23 mock treatment -0.015 0.114 0.16 0.097 0.168 0.33 0.134 0.184061435973353 0.354507328746538 0.4906 0.9571 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 J24 mock treatment -0.014 0.115 0.16 -0.014 0.0574 0.11 0.198 0.248061435973353 0.477773068361126 0.4361 0.8422 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K01 compound treatment -0.698 -0.569 -0.81 -0.214 -0.143 -0.28 0.0 0.050061435973353 0.096419686428495 -0.5736 -0.6659 3020630 ChemDiv3_000573 Brc1ccc(/C=N/c2nnc(NC(=O)/C=C/c3ccccc3)s2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K02 compound treatment -1.145 -1.02 -1.44 -1.045 -0.974 -1.92 -0.727 -0.676938564026647 -1.30380207450596 -2.6963 -0.9858 1679209 ChemDiv3_000574 O=C(CSC#N)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K03 compound treatment -0.232 -0.103 -0.15 -0.075 -0.00356 -0.01 0.131 0.181061435973353 0.348729247202104 0.1131 0.2991 1307245 ChemDiv3_000575 CCN(CC)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K04 compound treatment -1.567 -1.44 -2.04 -1.235 -1.16 -2.3 -0.055 -0.004938564026647 -0.00951180855279123 -2.512 -0.8169 3020631 ChemDiv3_000576 FC(F)(F)C(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K05 compound treatment -2.387 -2.26 -3.21 -2.81 -2.74 -5.41 -1.41 -1.35993856402665 -2.61927863945539 -6.4873 -0.9523 3117702 ChemDiv3_000577 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2/N=C/c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K06 compound treatment -0.194 -0.0646 -0.09 -0.06 0.0114 0.02 -0.727 -0.676938564026647 -1.30380207450596 -0.7927 -0.6064 3020632 ChemDiv3_000578 CC(=C)C(=O)Nc1ccc2C(=O)NC(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K07 compound treatment -0.635 -0.506 -0.72 -0.906 -0.835 -1.65 -0.921 -0.870938564026647 -1.67745134771268 -2.3349 -0.9496 3117703 ChemDiv3_000579 CC(C)C1CCC(C)/C(=C\c2ccc(cc2)N(C)C)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K08 compound treatment 0.07 0.199 0.28 -1.167 -1.1 -2.16 -1.135 -1.08493856402665 -2.08962116454896 -2.2917 -0.7586 3020633 ChemDiv3_000580 COc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K09 compound treatment -0.088 0.0414 0.06 -0.209 -0.138 -0.27 -0.053 -0.002938564026647 -0.00565975418983537 -0.1261 -0.4536 3020634 ChemDiv3_000581 C[n+]1cc(cc2ccccc12)c3ccc4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K10 compound treatment -0.149 -0.0196 -0.03 -0.674 -0.603 -1.19 0.176 0.226061435973353 0.435400470368611 -0.4516 -0.3564 3117704 ChemDiv3_000582 CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K11 compound treatment -0.236 -0.107 -0.15 -1.461 -1.39 -2.74 -0.094 -0.043938564026647 -0.0846268686304306 -1.7204 -0.6258 1317973 ChemDiv3_000583 CC(=O)NS(=O)(=O)c1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K12 compound treatment 0.037 0.166 0.24 -0.403 -0.332 -0.65 -0.042 0.00806143597335299 0.0155265448064219 -0.2324 -0.3338 1685696 ChemDiv3_000584 COCc1cc(C)nc(N2CCOCC2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K13 compound treatment -2.404 -2.27 -3.23 -2.861 -2.79 -5.51 -1.243 -1.19293856402665 -2.29763210014857 -6.3737 -0.939 1680270 ChemDiv3_000585 CCCCN1CCN(CC1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K14 compound treatment 0.5 0.629 0.89 -1.027 -0.956 -1.89 -0.903 -0.852938564026647 -1.64278285844608 -1.5211 -0.5725 3020635 ChemDiv3_000586 COC(=O)Oc1cc2oc(=O)sc2cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K15 compound treatment -1.036 -0.907 -1.29 0.651 0.722 1.43 -0.433 -0.382938564026647 -0.737550083151449 -0.3464 -0.1682 3117705 ChemDiv3_000587 COc1ccc(cc1)C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K16 compound treatment -0.509 -0.38 -0.54 -0.449 -0.378 -0.75 -0.244 -0.193938564026647 -0.37353094585212 -0.9577 -0.9642 1915086 ChemDiv3_000588 OCCNC(=S)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K17 compound treatment -1.338 -1.21 -1.72 -0.841 -0.77 -1.52 -0.112 -0.061938564026647 -0.119295357897033 -1.9383 -0.8438 3020636 ChemDiv3_000589 CCc1ccc(cc1)C(=O)Nc2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K18 compound treatment -0.058 0.0714 0.1 -0.522 -0.451 -0.89 -1.029 -0.978938564026647 -1.8854622833123 -1.5436 -0.7395 1362496 ChemDiv3_000590 O=C(Nn1cnc2ccccc2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K19 compound treatment -0.186 -0.0566 -0.08 -0.065 0.00644 0.01 -0.181 -0.130938564026647 -0.252191233419011 -0.1847 -0.697 3117706 ChemDiv3_000591 NC(=O)C[n+]1cccc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K20 compound treatment -0.037 0.0924 0.13 -1.586 -1.51 -2.99 -2.413 -2.36293856402665 -4.55108390247775 -4.2783 -0.7854 3117707 ChemDiv3_000592 C/C(=N\N)/c1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K21 compound treatment -0.102 0.0274 0.04 -0.686 -0.615 -1.21 -0.37 -0.319938564026647 -0.61621037071834 -1.0339 -0.7593 1318329 ChemDiv3_000593 OCC1(CC2CC3C1)CC(CO)(C2)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K22 compound treatment -0.634 -0.505 -0.72 -2.845 -2.77 -5.48 -0.78 -0.729938564026647 -1.40588151512429 -4.3877 -0.7699 1110839 ChemDiv3_000594 OC(=O)c1ccccc1C(=O)OCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K23 mock treatment -0.215 -0.0856 -0.12 0.354 0.425 0.84 0.179 0.229061435973353 0.441178551913045 0.6694 0.6998 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 K24 mock treatment -0.286 -0.157 -0.22 0.028 0.0994 0.2 0.036 0.086061435973353 0.165756664961701 0.0805 0.2368 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L01 compound treatment -0.857 -0.728 -1.03 -0.253 -0.182 -0.36 -0.259 -0.208938564026647 -0.402421353574289 -1.0366 -0.8887 1272387 ChemDiv3_000595 CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L02 compound treatment -0.401 -0.272 -0.39 -0.774 -0.703 -1.39 -0.869 -0.818938564026647 -1.57729793427583 -1.9345 -0.9058 3020637 ChemDiv3_000596 C(Sc1nnc(o1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L03 compound treatment -1.435 -1.31 -1.86 -1.262 -1.19 -2.35 -1.351 -1.30093856402665 -2.50564303574819 -3.8756 -0.9924 3117708 ChemDiv3_000597 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4cccc(OC)c4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L04 compound treatment -1.673 -1.54 -2.19 -2.215 -2.14 -4.23 -1.9 -1.84993856402665 -3.56303195837958 -5.7678 -0.9691 3020638 ChemDiv3_000598 Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L05 compound treatment -1.268 -1.14 -1.62 0.175 0.246 0.49 -0.055 -0.004938564026647 -0.00951180855279123 -0.6592 -0.39 3117709 ChemDiv3_000599 CC(=O)NC(=O)c/1cc2ccccc2o\c1=N/c3ccc(cc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L06 compound treatment -0.588 -0.459 -0.65 0.927 0.998 1.97 -0.546 -0.495938564026647 -0.955191154658456 0.2103 0.092 3020639 ChemDiv3_000600 S=c1cc[nH]c(=S)n1c2nc(sc2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L07 compound treatment -0.574 -0.445 -0.63 -0.646 -0.575 -1.13 -0.167 -0.116938564026647 -0.22522685287832 -1.15 -0.8725 3117710 ChemDiv3_000601 CC(=O)N1CCc2cc(/N=C/c3ccc(Cl)cc3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L08 compound treatment -0.727 -0.598 -0.85 -0.216 -0.145 -0.29 -0.045 0.005061435973353 0.00974846326198809 -0.6497 -0.7248 3020640 ChemDiv3_000602 Cc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L09 compound treatment 0.598 0.727 1.03 -1.662 -1.59 -3.14 -2.38 -2.32993856402665 -4.48752500548898 -3.807 -0.683 3117711 ChemDiv3_000603 Cc1n[nH]c(C)c1Sc2ccccc2/N=C/c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L10 compound treatment -0.028 0.101 0.14 0.01 0.0814 0.16 0.237 0.287061435973353 0.552888128438765 0.4953 0.8344 1663127 ChemDiv3_000604 CC(C)OC(=O)C1=C(C)NC(=S)NC1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L11 compound treatment 0.046 0.175 0.25 -2.573 -2.5 -4.94 -0.222 -0.171938564026647 -0.331158347859606 -2.899 -0.5849 1238798 ChemDiv3_000605 CC[N+]1=C(C)C(C)(C)c2cc(ccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L12 compound treatment -0.273 -0.144 -0.2 -0.449 -0.378 -0.75 -0.639 -0.588938564026647 -1.1343116825359 -1.2032 -0.8766 3117713 ChemDiv3_000606 Brc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L13 compound treatment -0.791 -0.662 -0.94 -0.753 -0.682 -1.35 -0.944 -0.893938564026647 -1.72174997288667 -2.3141 -0.9727 1507618 ChemDiv3_000607 COc1ccc2oc(=N)c(cc2c1)c3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L14 compound treatment -0.242 -0.113 -0.16 -0.287 -0.216 -0.43 -0.111 -0.060938564026647 -0.117369330715555 -0.4059 -0.8643 3020641 ChemDiv3_000608 CNc1ncnc(S)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L15 compound treatment -0.667 -0.538 -0.76 -0.841 -0.77 -1.52 -0.929 -0.878938564026647 -1.6928595651645 -2.296 -0.9567 1703537 ChemDiv3_000609 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L16 compound treatment -2.806 -2.68 -3.81 -4.149 -4.08 -8.05 -2.844 -2.79393856402665 -5.38120161769474 -9.9523 -0.9565 3117714 ChemDiv3_000610 Oc1ccc(Cl)cc1/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L17 compound treatment -0.5 -0.371 -0.53 -0.447 -0.376 -0.74 -0.452 -0.401938564026647 -0.77414459959953 -1.1793 -0.9873 1529335 ChemDiv3_000611 OC(=O)C=C1C2CC3CC(C2)CC1C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L18 compound treatment 0.0 0.129 0.18 -0.637 -0.566 -1.12 -0.363 -0.312938564026647 -0.602728180447994 -0.8865 -0.6914 3117715 ChemDiv3_000612 Clc1ccccc1/C=C\2/SC(=O)N(C2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L19 compound treatment -0.693 -0.564 -0.8 -0.412 -0.341 -0.67 -1.137 -1.08693856402665 -2.09347321891191 -2.0595 -0.88 3117716 ChemDiv3_000613 CCOc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NC)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L20 compound treatment -0.95 -0.821 -1.17 -0.484 -0.413 -0.81 -0.09 -0.039938564026647 -0.0769227599045188 -1.1883 -0.8339 3020642 ChemDiv3_000614 COc1cccc2ccc(Cl)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L21 compound treatment 0.663 0.792 1.13 -1.117 -1.05 -2.06 -1.253 -1.20293856402665 -2.31689237196335 -1.8791 -0.5692 3020643 ChemDiv3_000615 CN/C=C\1/C=C(SC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L22 compound treatment -0.836 -0.707 -1.0 -0.835 -0.764 -1.51 0.372 0.422061435973353 0.812901797938286 -0.9811 -0.4941 3117717 ChemDiv3_000616 N#CCC(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L23 mock treatment -0.276 -0.147 -0.21 -0.065 0.00644 0.01 0.4 0.450061435973353 0.866830559019668 0.3875 0.4346 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 L24 mock treatment -0.222 -0.0926 -0.13 0.114 0.185 0.37 0.065 0.115061435973353 0.221611453224561 0.2633 0.5881 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M01 compound treatment -1.767 -1.64 -2.33 -0.935 -0.864 -1.71 -1.189 -1.13893856402665 -2.19362663234877 -3.5952 -0.9918 1490670 ChemDiv3_000617 O=C(Oc1ccccc1)Oc2ccc3oc(=O)sc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M02 compound treatment -1.062 -0.933 -1.33 -0.687 -0.616 -1.22 -0.39 -0.339938564026647 -0.654730914347898 -1.8453 -0.964 3117718 ChemDiv3_000618 Cc1ccc(Oc2ccc(C)c(C)c2)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M03 compound treatment -0.803 -0.674 -0.96 -0.457 -0.386 -0.76 -0.714 -0.663938564026647 -1.27876372114675 -1.7308 -0.978 1380597 ChemDiv3_000619 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M04 compound treatment -1.426 -1.3 -1.84 -1.322 -1.25 -2.47 -0.593 -0.542938564026647 -1.04571443218792 -3.0937 -0.9507 3020644 ChemDiv3_000620 FC(F)(F)C(=O)N(CN1C(=O)CCC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M05 compound treatment -1.31 -1.18 -1.68 -0.19 -0.119 -0.23 -1.919 -1.86893856402665 -3.59962647482766 -3.1825 -0.7999 1629777 ChemDiv3_000621 Nc1ccc(Br)cc1C(O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M06 compound treatment -0.597 -0.468 -0.66 -0.333 -0.262 -0.52 -0.512 -0.461938564026647 -0.889706230488206 -1.1957 -0.9762 3117719 ChemDiv3_000622 CNc1cc(NC)c2ncnc3-c4ccccc4C(=O)c1c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M07 compound treatment -0.397 -0.268 -0.38 -0.545 -0.474 -0.94 -1.366 -1.31593856402665 -2.53453344347036 -2.2228 -0.8148 3020645 ChemDiv3_000623 CC(C)C1CCC(C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M08 compound treatment -0.26 -0.131 -0.19 -0.213 -0.142 -0.28 -0.411 -0.360938564026647 -0.695177485158935 -0.6699 -0.8679 1472960 ChemDiv3_000624 COc1ccc2CN(C(=O)c2c1OC)c3nnc[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M09 compound treatment 0.318 0.447 0.64 0.088 0.159 0.31 0.211 0.261061435973353 0.502811421720339 0.8393 0.9649 3020646 ChemDiv3_000625 CC(=O)n1c2ccccc2c3cc(Br)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M10 compound treatment -0.841 -0.712 -1.01 -0.951 -0.88 -1.74 -0.614 -0.563938564026647 -1.08616100299896 -2.2139 -0.969 3117720 ChemDiv3_000626 COc1ccc(/C=N/c2cccc(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M11 compound treatment -0.161 -0.0316 -0.04 -3.418 -3.35 -6.61 -4.151 -4.10093856402665 -7.8985191438864 -8.4012 -0.8158 1922766 ChemDiv3_000627 Oc1ccccc1/C=N/c2ccc(cc2)c3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M12 compound treatment -0.043 0.0864 0.12 -0.898 -0.827 -1.63 -0.195 -0.144938564026647 -0.279155613959702 -1.0325 -0.6219 3020648 ChemDiv3_000628 CCN1C(=C(C#N)C#N)C=Cc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M13 compound treatment -0.63 -0.501 -0.71 -0.29 -0.219 -0.43 -0.359 -0.308938564026647 -0.595024071722082 -1.0036 -0.9809 1708776 ChemDiv3_000629 C1CC[N+]2(C1)CCN(CC2)c3ncccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M14 compound treatment -0.873 -0.744 -1.06 -0.044 0.0274 0.05 -0.338 -0.287938564026647 -0.554577500911046 -0.8993 -0.7525 1728722 ChemDiv3_000630 COc1ccc(cc1)N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M15 compound treatment -1.973 -1.84 -2.62 -1.085 -1.01 -2.0 -0.774 -0.723938564026647 -1.39432535203542 -3.4738 -0.9702 3020649 ChemDiv3_000631 COc1cccc(/N=C\c2c[nH]c3ccccc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M16 compound treatment -1.309 -1.18 -1.68 -1.311 -1.24 -2.45 0.413 0.463061435973353 0.891868912378881 -1.8664 -0.6024 3117721 ChemDiv3_000632 Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M17 compound treatment -0.911 -0.782 -1.11 -0.651 -0.58 -1.14 -1.135 -1.08493856402665 -2.08962116454896 -2.5087 -0.9543 1294702 ChemDiv3_000633 C1CCCN(CC1)c2nc(nc(n2)N3CCCCCC3)N4CCCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M18 compound treatment -1.279 -1.15 -1.63 -0.68 -0.609 -1.2 -0.855 -0.804938564026647 -1.55033355373514 -2.5325 -0.9919 3117722 ChemDiv3_000634 Brc1ccc(NC(=O)Nc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M19 compound treatment -1.159 -1.03 -1.46 -1.113 -1.04 -2.06 -1.738 -1.68793856402665 -3.25101555498015 -3.9095 -0.9498 1311944 ChemDiv3_000635 c1c(nc2ccccn12)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M20 compound treatment 0.3 0.429 0.61 -1.352 -1.28 -2.53 -1.58 -1.52993856402665 -2.94670326030664 -2.8086 -0.7146 1216291 ChemDiv3_000636 OCCNC(=S)NC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M21 compound treatment 0.022 0.151 0.22 0.036 0.107 0.21 -0.494 -0.443938564026647 -0.855037741221603 -0.2469 -0.2722 1664260 ChemDiv3_000637 OC(=O)c1cc(ccc1O)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M22 compound treatment -0.163 -0.0336 -0.05 -0.129 -0.0576 -0.11 0.029 0.079061435973353 0.152274474691355 -0.0053 -0.0269 3020650 ChemDiv3_000638 Fc1ccccc1C(=O)Nc2cc(ccc2Br)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M23 mock treatment 0.442 0.571 0.81 0.246 0.317 0.63 0.354 0.404061435973353 0.778233308671683 1.2802 0.9941 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 M24 mock treatment -0.149 -0.0196 -0.03 0.138 0.209 0.41 0.016 0.066061435973353 0.127236121332142 0.2961 0.683 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N01 compound treatment -0.586 -0.457 -0.65 -0.683 -0.612 -1.21 -0.845 -0.794938564026647 -1.53107328192036 -1.9559 -0.9517 3020651 ChemDiv3_000639 Cn1nccc1C(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N02 compound treatment -1.0 -0.871 -1.24 -1.062 -0.991 -1.96 -0.986 -0.935938564026647 -1.80264311450875 -2.8846 -0.9832 3117723 ChemDiv3_000640 COC(=O)CSc1nnc(o1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N03 compound treatment -1.761 -1.63 -2.32 -2.24 -2.17 -4.28 -3.384 -3.33393856402665 -6.42125629569283 -7.5188 -0.933 3117724 ChemDiv3_000641 COc1cc(Br)cc(/C=N/c2cccc(c2)c3nc4ccccc4o3)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N04 compound treatment -0.386 -0.257 -0.36 -0.237 -0.166 -0.33 0.191 0.241061435973353 0.46429087809078 -0.1313 -0.1946 1628862 ChemDiv3_000642 CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N05 compound treatment -0.439 -0.31 -0.44 -0.439 -0.368 -0.73 -0.634 -0.583938564026647 -1.12468154662851 -1.3225 -0.9386 1290427 ChemDiv3_000643 CC(=O)Oc1ccccc1N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N06 compound treatment -0.037 0.0924 0.13 0.0 0.0714 0.14 0.039 0.089061435973353 0.171534746506134 0.2563 0.9934 1570356 ChemDiv3_000644 CC(C)(C)C(=O)Nc1c(Cl)sc2nccc(=O)n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N07 compound treatment 0.053 0.182 0.26 -0.183 -0.112 -0.22 -0.314 -0.263938564026647 -0.508352848555576 -0.2709 -0.4429 3020698 ChemDiv3_000645 CC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N08 compound treatment -0.359 -0.23 -0.33 -1.73 -1.66 -3.27 -2.167 -2.11693856402665 -4.07728121583418 -4.4332 -0.8461 3020699 ChemDiv3_000646 CN(C)/C=C/c1cc(=S)c2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N09 compound treatment -0.234 -0.105 -0.15 -0.385 -0.314 -0.62 -0.049 0.00106143597335299 0.00204435453607635 -0.4421 -0.6944 1598396 ChemDiv3_000647 CSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N10 compound treatment -0.355 -0.226 -0.32 -2.556 -2.48 -4.91 -1.983 -1.93293856402665 -3.72289221444224 -5.167 -0.8379 3020700 ChemDiv3_000648 Oc1ccc(/C=C/2\SC(=S)N(CCc3ccccc3)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N11 compound treatment -0.485 -0.356 -0.51 -0.984 -0.913 -1.8 0.043 0.093061435973353 0.179238855232046 -1.2287 -0.6536 3020701 ChemDiv3_000649 CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)/Oc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N12 compound treatment -0.75 -0.621 -0.88 -0.464 -0.393 -0.78 0.162 0.212061435973353 0.40843608982792 -0.7211 -0.5799 3117725 ChemDiv3_000650 Clc1ccc(/C=N/C(=O)CC#N)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N13 compound treatment -1.859 -1.73 -2.46 -1.952 -1.88 -3.71 -2.014 -1.96393856402665 -3.78259905706806 -5.7475 -0.9836 1340722 ChemDiv3_000651 N=c1oc2ccc3ccccc3c2cc1C(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N14 compound treatment -0.438 -0.309 -0.44 -0.397 -0.326 -0.64 -0.763 -0.712938564026647 -1.37313905303917 -1.4172 -0.8979 3117726 ChemDiv3_000652 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1OC(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N15 compound treatment -0.581 -0.452 -0.64 0.715 0.786 1.55 -0.439 -0.388938564026647 -0.749106246240317 0.0933 0.0507 3020702 ChemDiv3_000653 CC1=N/C(=C/c2cccnc2)/C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N16 compound treatment -0.024 0.105 0.15 -0.718 -0.647 -1.28 -0.447 -0.396938564026647 -0.76451446369214 -1.0919 -0.7301 3117727 ChemDiv3_000654 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)/Sc4cc(NC(=O)C)ccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N17 compound treatment -2.587 -2.46 -3.49 -2.037 -1.97 -3.88 -2.222 -2.17193856402665 -4.18321271081547 -6.6732 -0.9973 1208186 ChemDiv3_000655 OC(=O)c1cc(nc2ccc(Br)cc12)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N18 compound treatment -0.815 -0.686 -0.97 -0.481 -0.41 -0.81 -0.422 -0.371938564026647 -0.716363784155192 -1.4433 -0.9919 3020703 ChemDiv3_000656 CCN1C(=O)/C(=C\C(=C\c2ccccc2)\C)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N19 compound treatment -1.062 -0.933 -1.33 -0.273 -0.202 -0.4 -1.189 -1.13893856402665 -2.19362663234877 -2.2618 -0.872 3020704 ChemDiv3_000657 CN1C(=O)/C(=C\Nc2ccccc2)/C=C1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N20 compound treatment -1.557 -1.43 -2.03 -0.5 -0.429 -0.85 -1.119 -1.06893856402665 -2.05880472964531 -2.8491 -0.9458 3117728 ChemDiv3_000658 Cc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N21 compound treatment -1.125 -0.996 -1.42 0.362 0.433 0.86 0.25 0.300061435973353 0.577926481797978 0.0105 0.006 1544837 ChemDiv3_000659 Cc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N22 compound treatment -2.675 -2.55 -3.62 -1.767 -1.7 -3.35 -2.634 -2.58393856402665 -4.97673590958438 -6.8958 -0.9844 1021435 ChemDiv3_000660 Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N23 mock treatment -0.198 -0.0686 -0.1 0.083 0.154 0.3 0.229 0.279061435973353 0.537479910986941 0.4301 0.6874 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 N24 mock treatment 0.0 0.129 0.18 -2.525 -2.45 -4.84 -0.405 -0.354938564026647 -0.683621322070067 -3.0855 -0.6302 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O01 compound treatment -0.981 -0.852 -1.21 -0.712 -0.641 -1.26 -0.113 -0.062938564026647 -0.121221385078511 -1.4993 -0.8542 1913320 ChemDiv3_000661 O=C(Oc1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O02 compound treatment -1.723 -1.59 -2.27 -2.385 -2.31 -4.57 -1.679 -1.62893856402665 -3.13737995127295 -5.7569 -0.9616 3020705 ChemDiv3_000662 Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O03 compound treatment -2.143 -2.01 -2.86 -0.529 -0.458 -0.9 -1.522 -1.47193856402665 -2.83499368378092 -3.8113 -0.923 3117729 ChemDiv3_000663 CCOc1ccc(N/C=N/c2ccc(OCC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O04 compound treatment -1.383 -1.25 -1.78 -1.31 -1.24 -2.45 -0.584 -0.533938564026647 -1.02838018755462 -3.0347 -0.9495 1253491 ChemDiv3_000664 N#CCCN(Cn1c2ccccc2c3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O05 compound treatment -1.694 -1.56 -2.22 -1.029 -0.958 -1.89 -0.479 -0.428938564026647 -0.826147333499434 -2.8529 -0.9403 1678987 ChemDiv3_000665 Cc1ccc2nc(cc(C(=O)NCc3ccccc3)c2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O06 compound treatment -0.101 0.0284 0.04 -0.382 -0.311 -0.61 -0.887 -0.836938564026647 -1.61196642354243 -1.2614 -0.7312 1464157 ChemDiv3_000666 Cc1cc(C)c(cc1C(=O)c2ccccc2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O07 compound treatment -1.042 -0.913 -1.3 -2.0 -1.93 -3.81 -1.811 -1.76093856402665 -3.39161553922804 -4.9058 -0.9323 1645442 ChemDiv3_000667 CCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O08 compound treatment -0.034 0.0954 0.14 -1.557 -1.49 -2.93 -1.101 -1.05093856402665 -2.02413624037871 -2.7838 -0.7806 1026640 ChemDiv3_000668 Nc1ccccc1CC(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O09 compound treatment 0.0 0.129 0.18 -0.09 -0.0186 -0.04 -0.2 -0.149938564026647 -0.288785749867091 -0.0817 -0.2371 1267081 ChemDiv3_000669 CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)Nc2ccccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O10 compound treatment -0.209 -0.0796 -0.11 -0.164 -0.0926 -0.18 0.44 0.490061435973353 0.943871646278785 0.3741 0.3864 3117730 ChemDiv3_000670 CCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O11 compound treatment 0.1 0.229 0.33 -2.262 -2.19 -4.33 -0.396 -0.345938564026647 -0.666287077436766 -2.6936 -0.6138 3020706 ChemDiv3_000671 CC(C)(C)c1cc(c2OCN(CC(=O)O)Cc2c1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O12 compound treatment -0.391 -0.262 -0.37 -0.29 -0.219 -0.43 0.077 0.127061435973353 0.244723779402296 -0.3226 -0.5203 3117731 ChemDiv3_000672 CCN(CC)c1ccc2cc(C(=O)N)/c(=N/c3ccc(F)cc3)/oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O13 compound treatment -0.344 -0.215 -0.31 -0.353 -0.282 -0.56 -0.406 -0.355938564026647 -0.685547349251545 -0.8929 -0.9561 3020707 ChemDiv3_000673 Clc1ccc2nc(Cl)cc(c3ccccc3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O14 compound treatment -0.814 -0.685 -0.97 -0.788 -0.717 -1.41 -0.5 -0.449938564026647 -0.866593904310471 -1.8792 -0.9769 3117732 ChemDiv3_000674 Cc1cccc(C)c1OC(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O15 compound treatment -0.24 -0.111 -0.16 -1.159 -1.09 -2.15 -1.708 -1.65793856402665 -3.19323473953581 -3.1742 -0.8242 3020708 ChemDiv3_000675 C(=N/c1cccc2ccccc12)/c3c[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O16 compound treatment -1.106 -0.977 -1.39 -0.928 -0.857 -1.69 -0.072 -0.021938564026647 -0.0422542706379161 -1.8025 -0.8236 1675948 ChemDiv3_000676 OC(=O)C(NC(=O)c1ccc(F)cc1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O17 compound treatment -1.233 -1.1 -1.57 -1.362 -1.29 -2.55 -1.905 -1.85493856402665 -3.57266209428696 -4.4398 -0.9527 1019063 ChemDiv3_000677 CC(C)(C)c1ccc(O)c(N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O18 compound treatment -0.88 -0.751 -1.07 -0.543 -0.472 -0.93 -0.912 -0.861938564026647 -1.66011710307938 -2.1122 -0.9679 1676074 ChemDiv3_000678 OC(=O)C1CCC(CC1)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O19 compound treatment -0.538 -0.409 -0.58 0.663 0.734 1.45 -0.4 -0.349938564026647 -0.673991186162678 0.1127 0.0663 3020709 ChemDiv3_000679 CC(C(=O)c1ccccc1)[n+]2cccc(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O20 compound treatment -1.133 -1.0 -1.43 -0.344 -0.273 -0.54 -0.5 -0.449938564026647 -0.866593904310471 -1.6349 -0.9321 1276194 ChemDiv3_000680 CC1(CC2CC3C1)CC(C2)(C3)NC(=O)c4ccc(Cl)cc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O21 compound treatment -0.769 -0.64 -0.91 0.057 0.128 0.25 -0.667 -0.616938564026647 -1.18824044361729 -1.0646 -0.7015 1695393 ChemDiv3_000681 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)(C4)C(=O)N5CCOCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O22 compound treatment -0.944 -0.815 -1.16 -2.882 -2.81 -5.55 -0.171 -0.120938564026647 -0.232930961604231 -4.0072 -0.7063 1315761 ChemDiv3_000682 CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O23 mock treatment 0.234 0.363 0.52 0.094 0.165 0.33 0.242 0.292061435973353 0.562518264346154 0.8117 0.9771 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 O24 mock treatment 0.091 0.22 0.31 0.162 0.233 0.46 0.366 0.416061435973353 0.801345634849418 0.9097 0.932 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P01 compound treatment -0.545 -0.416 -0.59 -1.062 -0.991 -1.96 -1.269 -1.21893856402665 -2.347708806867 -2.8258 -0.908 1316678 ChemDiv3_000683 O=C(c1ccccc1)C2(CN3CN4CN(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P02 compound treatment -0.321 -0.192 -0.27 -0.405 -0.334 -0.66 -0.281 -0.230938564026647 -0.444793951566804 -0.7943 -0.9455 3117733 ChemDiv3_000684 CC(C)OC(=O)CSc1nnc(o1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P03 compound treatment -1.745 -1.62 -2.3 -1.968 -1.9 -3.74 -1.759 -1.70893856402665 -3.29146212579119 -5.3886 -0.9816 1919584 ChemDiv3_000685 Oc1ccccc1/C=N/c2ccc3oc(nc3c2)c4cccc(I)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P04 compound treatment -0.955 -0.826 -1.17 -0.607 -0.536 -1.06 -0.385 -0.334938564026647 -0.645100778440509 -1.6607 -0.9731 3020710 ChemDiv3_000686 OCCNC(=O)c1cc[n+](CC(=O)c2cccs2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P05 compound treatment -1.339 -1.21 -1.72 -0.571 -0.5 -0.99 -0.647 -0.596938564026647 -1.14971989998773 -2.2262 -0.9714 1512305 ChemDiv3_000687 O=C(Oc1ccccc1N(C(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P06 compound treatment -0.833 -0.704 -1.0 -0.255 -0.184 -0.36 -0.667 -0.616938564026647 -1.18824044361729 -1.4728 -0.9234 3020711 ChemDiv3_000688 Cc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P07 compound treatment -0.338 -0.209 -0.3 -0.713 -0.642 -1.27 -0.31 -0.259938564026647 -0.500648739829664 -1.1916 -0.8548 1010956 ChemDiv3_000689 FC(F)(F)C(=O)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P08 compound treatment -0.306 -0.177 -0.25 -0.08 -0.00856 -0.02 -1.048 -0.997938564026647 -1.92205679976038 -1.2644 -0.6523 3117734 ChemDiv3_000690 CC(C)C1CCC(C)CC1OC(=O)Cn2c[n+](C)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P09 compound treatment 0.707 0.836 1.19 -0.706 -0.635 -1.25 -1.835 -1.78493856402665 -3.43784019158351 -2.0217 -0.5255 3020712 ChemDiv3_000691 OC(=O)CCn1c(SCCOc2ccccc2)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P10 compound treatment -0.908 -0.779 -1.11 -0.965 -0.894 -1.76 -0.096 -0.045938564026647 -0.0884789229933864 -1.7089 -0.8197 3117735 ChemDiv3_000692 Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P11 compound treatment -0.029 0.1 0.14 -0.719 -0.648 -1.28 -0.084 -0.033938564026647 -0.0653665968156513 -0.6935 -0.5384 3020713 ChemDiv3_000693 COc1cc2sc(C)nc2c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P12 compound treatment 0.192 0.321 0.46 -0.286 -0.215 -0.42 -0.565 -0.514938564026647 -0.991785671106536 -0.5534 -0.4724 3117736 ChemDiv3_000694 CC1(CCC2(CC(=O)c3ccccc3)CC1)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P13 compound treatment -1.113 -0.984 -1.4 -0.84 -0.769 -1.52 -1.677 -1.62693856402665 -3.13352789691 -3.4927 -0.9309 3020714 ChemDiv3_000695 Nc1c(C#N)c(C(=O)c2ccc(Br)cc2)n3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P14 compound treatment -0.623 -0.494 -0.7 -0.337 -0.266 -0.52 -0.451 -0.400938564026647 -0.772218572418052 -1.1537 -0.988 3117737 ChemDiv3_000696 CCNc1nc(F)cc(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P15 compound treatment -0.875 -0.746 -1.06 -0.634 -0.563 -1.11 -0.508 -0.457938564026647 -0.882002121762294 -1.7626 -0.9954 1476541 ChemDiv3_000697 OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P16 compound treatment -0.962 -0.833 -1.18 -0.646 -0.575 -1.13 -0.12 -0.069938564026647 -0.134703575348857 -1.4162 -0.8608 1722951 ChemDiv3_000698 C1CCC2(C1)Cc3ccccc3-c4nnc(c5ccccc5)n42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P17 compound treatment -1.203 -1.07 -1.53 -0.583 -0.512 -1.01 -0.53 -0.479938564026647 -0.924374719754809 -1.9981 -0.9744 3117738 ChemDiv3_000699 CCC(O)(CC)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P18 compound treatment -0.029 0.1 0.14 -0.203 -0.132 -0.26 -0.565 -0.514938564026647 -0.991785671106536 -0.6402 -0.6184 1912570 ChemDiv3_000700 Cc1ccc(CCS(=O)(=O)c2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P19 compound treatment -0.843 -0.714 -1.01 -0.187 -0.116 -0.23 0.08 0.130061435973353 0.25050186094673 -0.5729 -0.5356 3020715 ChemDiv3_000701 CN/C=C\1/C=C(N(C)C1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P20 compound treatment 0.025 0.154 0.22 0.105 0.176 0.35 0.479 0.529061435973353 1.01898670635642 0.9162 0.8336 3117739 ChemDiv3_000702 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P21 compound treatment 0.341 0.47 0.67 -0.877 -0.806 -1.59 -0.802 -0.751938564026647 -1.44825411311681 -1.3683 -0.6074 3020716 ChemDiv3_000703 COc1ccc(OCCSc2ncnc3[nH]cnc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P22 compound treatment -0.585 -0.456 -0.65 -0.593 -0.522 -1.03 0.037 0.087061435973353 0.167682692143178 -0.8717 -0.7098 1343334 ChemDiv3_000704 COC(=O)C1=C(C)NC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P23 mock treatment 0.141 0.27 0.38 -0.155 -0.0836 -0.16 0.0 0.050061435973353 0.096419686428495 0.1824 0.4248 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2002 P24 mock treatment 0.439 0.568 0.81 -0.071 4.38E-4 0.0 0.0 0.050061435973353 0.096419686428495 0.5228 0.6423 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A01 compound treatment 0.157 0.286 0.41 -0.449 -0.378 -0.75 -0.4 -0.349938564026647 -0.673991186162678 -0.5844 -0.539 1702421 ChemDiv3_001057 CCc1nccn1C(=O)CCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A02 compound treatment -0.397 -0.268 -0.38 0.09 0.161 0.32 -0.387 -0.336938564026647 -0.648952832803465 -0.4103 -0.5022 1479194 ChemDiv3_001058 Clc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A03 compound treatment -1.213 -1.08 -1.54 -0.65 -0.579 -1.14 -0.704 -0.653938564026647 -1.25950344933197 -2.2762 -0.992 1673755 ChemDiv3_001059 Cc1ccc(cc1NC(=O)c2ccccc2)c3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A04 compound treatment -0.548 -0.419 -0.6 -0.635 -0.564 -1.11 -1.962 -1.91193856402665 -3.68244564363121 -3.1121 -0.7995 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-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A05 compound treatment -1.289 -1.16 -1.65 -1.29 -1.22 -2.41 -1.476 -1.42593856402665 -2.74639643343293 -3.9266 -0.9801 1545532 ChemDiv3_001061 Cc1ccccc1NC(=O)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A06 compound treatment -0.517 -0.388 -0.55 0.469 0.54 1.07 0.959 1.00906143597335 1.94347975346583 1.42 0.6215 1235446 ChemDiv3_001062 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)Oc3ccccc3)S(=O)(=O)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A07 compound treatment -1.11 -0.981 -1.39 -1.1 -1.03 -2.03 -1.757 -1.70693856402665 -3.28761007142823 -3.8756 -0.9434 3118599 ChemDiv3_001063 CC1C(Cc2ccc(C)cc2)C(=O)N(C1=O)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A08 compound treatment -1.087 -0.958 -1.36 0.365 0.436 0.86 0.027 0.077061435973353 0.148422420328399 -0.2028 -0.1253 1351878 ChemDiv3_001064 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A09 compound treatment -0.341 -0.212 -0.3 0.625 0.696 1.38 -0.131 -0.080938564026647 -0.155889874345114 0.5302 0.3744 1662979 ChemDiv3_001065 CCCc1cc2c(=O)c(c(C)oc2cc1OC(=O)C)c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A10 compound treatment -0.468 -0.339 -0.48 -0.354 -0.283 -0.56 0.014 0.064061435973353 0.123384066969186 -0.5288 -0.7078 1457143 ChemDiv3_001066 Cc1ccc(cc1)S(=O)(=O)N2C(C3CC2C=C3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A11 compound treatment -0.102 0.0274 0.04 -0.259 -0.188 -0.37 -0.812 -0.761938564026647 -1.46751438493159 -1.0386 -0.686 3020384 ChemDiv3_001067 O=C/1OC(=N\C1=C/C=C/c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A12 compound treatment 0.253 0.382 0.54 -1.393 -1.32 -2.61 -0.038 0.012061435973353 0.0232306535323336 -1.1792 -0.4424 3118600 ChemDiv3_001068 Clc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A13 compound treatment -1.457 -1.33 -1.89 -0.453 -0.382 -0.75 -0.577 -0.526938564026647 -1.01489799728427 -2.1107 -0.9291 3020385 ChemDiv3_001069 CC(C)n1c(nc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A14 compound treatment -0.667 -0.538 -0.76 -0.431 -0.36 -0.71 -0.117 -0.066938564026647 -0.128925493804423 -0.9256 -0.8806 1226119 ChemDiv3_001070 Brc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A15 compound treatment 0.057 0.186 0.27 0.364 0.435 0.86 -0.293 -0.242938564026647 -0.467906277744539 0.3793 0.374 3020386 ChemDiv3_001071 N#Cc1c(/N=C/c2ccccc2)sc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A16 compound treatment -1.366 -1.24 -1.76 -1.848 -1.78 -3.51 -0.362 -0.311938564026647 -0.600802153266516 -3.3872 -0.8533 3118601 ChemDiv3_001072 CCC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A17 compound treatment -0.4 -0.271 -0.38 -0.373 -0.302 -0.6 -0.069 -0.018938564026647 -0.0364761890934823 -0.587 -0.8269 1259740 ChemDiv3_001073 COc1ccc(cc1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A18 compound treatment -0.895 -0.766 -1.09 -0.021 0.0504 0.1 0.014 0.064061435973353 0.123384066969186 -0.4997 -0.4543 3020387 ChemDiv3_001074 CC[n+]1c(/C=C/N(C)c2ccccc2)sc3ccc(OC)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A19 compound treatment -0.848 -0.719 -1.02 -0.519 -0.448 -0.88 -0.821 -0.770938564026647 -1.48484862956489 -1.9574 -0.9751 1267587 ChemDiv3_001075 CCOc1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A20 compound treatment 0.056 0.185 0.26 1.431 1.5 2.46 1.531 1.58106143597335 2.431137829571 2.9768 0.858 3020388 ChemDiv3_001076 CCN1/C(=C/C2=CC(=O)CC(C)(C)C2)/Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A21 compound treatment 0.2 0.329 0.47 0.421 0.492 0.97 0.044 0.094061435973353 0.181164882413524 0.9364 0.8556 3118602 ChemDiv3_001077 Cc1n[nH]c(=S)n(/N=C/c2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A22 compound treatment -1.219 -1.09 -1.55 -0.643 -0.572 -1.13 -0.802 -0.751938564026647 -1.44825411311681 -2.3821 -0.9916 1512849 ChemDiv3_001078 COc1ccccc1OC(C)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A23 mock treatment -0.587 -0.458 -0.65 0.088 0.159 0.31 0.178 0.228061435973353 0.439252524731567 0.0597 0.0706 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 A24 mock treatment -1.36 -1.23 -1.75 0.155 0.226 0.45 -0.022 0.028061435973353 0.0540470884359805 -0.7208 -0.399 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B01 compound treatment -0.721 -0.592 -0.84 -0.508 -0.437 -0.86 -0.584 -0.533938564026647 -1.02838018755462 -1.577 -0.9958 3118603 ChemDiv3_001079 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCCO)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B02 compound treatment 0.337 0.466 0.66 -0.113 -0.0416 -0.08 -0.24 -0.189938564026647 -0.365826837126209 0.1243 0.1631 1487953 ChemDiv3_001080 COC(=O)c1c(NC(=O)C(C)C)sc2CCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B03 compound treatment -1.96 -1.83 -2.6 -0.295 -0.224 -0.44 -0.913 -0.862938564026647 -1.66204313026086 -2.7171 -0.871 1608654 ChemDiv3_001081 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B04 compound treatment -0.573 -0.444 -0.63 -0.641 -0.57 -1.12 -2.088 -2.03793856402665 -3.92512506849743 -3.2796 -0.7938 1203988 ChemDiv3_001082 Cc1ccc(C)n1c2cccc(N)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B05 compound treatment -1.845 -1.72 -2.44 -1.343 -1.27 -2.51 -0.901 -0.850938564026647 -1.63893080408312 -3.8041 -0.9842 1593401 ChemDiv3_001083 CCCCn1c(S)nc2n(C)c(=O)[nH]c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B06 compound treatment -0.589 -0.46 -0.65 -0.441 -0.37 -0.73 -0.659 -0.608938564026647 -1.17283222616546 -1.4757 -0.9657 3020389 ChemDiv3_001084 OC(=O)c1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B07 compound treatment -0.552 -0.423 -0.6 -0.467 -0.396 -0.78 -0.829 -0.778938564026647 -1.50025684701671 -1.664 -0.9271 1483637 ChemDiv3_001085 COc1cc(cc(OC)c1OC)C(=O)N=C2C(=CC(=O)C=C2C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B08 compound treatment -3.965 -3.84 -5.45 -2.583 -2.51 -4.96 -3.258 -3.20793856402665 -6.17857687082661 -9.5789 -0.9959 1211323 ChemDiv3_001086 COc1ccc(CNc2ccc(F)cc2C)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B09 compound treatment -1.94 -1.81 -2.57 -0.393 -0.322 -0.63 -1.081 -1.03093856402665 -1.98561569674915 -2.9992 -0.9054 1504008 ChemDiv3_001087 OC(=O)c1cccc(Nc2nc(c3ccccc3)c4ccccc4n2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B10 compound treatment 0.489 0.618 0.88 -0.272 -0.201 -0.4 0.262 0.312061435973353 0.601038807975713 0.626 0.5509 1495584 ChemDiv3_001088 CC1(C)Cc2c(C#N)c(NC(=O)C(c3ccccc3)c4ccccc4)sc2CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B11 compound treatment -1.422 -1.29 -1.84 -0.085 -0.0136 -0.03 0.1 0.150061435973353 0.289022404576288 -0.9096 -0.4889 1679056 ChemDiv3_001089 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCCc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B12 compound treatment -0.114 0.0154 0.02 -0.776 -0.705 -1.39 -0.295 -0.244938564026647 -0.471758332107495 -1.0629 -0.7235 3118604 ChemDiv3_001090 CC(C)(C)/N=c\1/cccccc1NCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B13 compound treatment 1.451 1.58 1.85 1.028 1.1 2.14 0.605 0.655061435973353 1.26166613122264 3.0331 0.9788 3020431 ChemDiv3_001091 CC1=C/C(=C/c2ccco2)/C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B14 compound treatment -1.055 -0.926 -1.32 0.328 0.399 0.79 0.214 0.264061435973353 0.508589503264772 -0.0108 -0.0067 1567047 ChemDiv3_001092 COc1cc(cc(OC)c1OC)C2NCCS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B15 compound treatment -0.63 -0.501 -0.71 -0.059 0.0124 0.02 -0.096 -0.045938564026647 -0.0884789229933864 -0.4478 -0.624 3118605 ChemDiv3_001093 Cn1c(=O)n(C)c2ncn(C=C)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B16 compound treatment -1.629 -1.5 -2.13 -1.312 -1.24 -2.45 -1.786 -1.73593856402665 -3.34346485969109 -4.5755 -0.9817 1521623 ChemDiv3_001094 Cc1ccccc1OCC(O)Cn2c3ccccc3c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B17 compound treatment -1.557 -1.43 -2.03 -0.768 -0.697 -1.38 -0.787 -0.736938564026647 -1.41936370539464 -2.7854 -0.9832 3020432 ChemDiv3_001095 Oc1ccccc1c2cc(cc(n2)c3ccccc3)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B18 compound treatment -0.581 -0.452 -0.64 -0.081 -0.00956 -0.02 -0.393 -0.342938564026647 -0.660508995892332 -0.7629 -0.8281 1643074 ChemDiv3_001096 CN(C)c1ccc(cc1)C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c5ccc(C)c(Cl)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B19 compound treatment 0.418 0.547 0.78 0.283 0.354 0.7 0.25 0.300061435973353 0.577926481797978 1.1871 0.9928 1726140 ChemDiv3_001097 CC1(C)Cc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C(C)(C)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B20 compound treatment -1.128 -0.999 -1.42 -0.431 -0.36 -0.71 -0.375 -0.324938564026647 -0.625840506625729 -1.5909 -0.9324 1237367 ChemDiv3_001098 O=C(C1c2ccccc2Oc3ccccc13)N4CCc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B21 compound treatment -1.076 -0.947 -1.35 -0.167 -0.0956 -0.19 -0.278 -0.227938564026647 -0.43901587002237 -1.1394 -0.7978 3020434 ChemDiv3_001099 CC(C)(C)OC(=O)NC(=N)n1cccn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B22 compound treatment -1.049 -0.92 -1.31 0.029 0.1 0.2 -0.488 -0.437938564026647 -0.843481578132736 -1.1273 -0.7187 1449384 ChemDiv3_001100 COc1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B23 mock treatment -0.577 -0.448 -0.64 -0.083 -0.0116 -0.02 0.247 0.297061435973353 0.572148400253544 -0.0503 -0.0587 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 B24 mock treatment -0.246 -0.117 -0.17 0.09 0.161 0.32 -0.119 -0.068938564026647 -0.132777548167379 0.0117 0.0305 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C01 compound treatment -0.129 4.09E-4 0.0 -0.29 -0.219 -0.43 -0.301 -0.250938564026647 -0.483314495196362 -0.5279 -0.8147 1056652 ChemDiv3_001101 CC(C)(C)NC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C02 compound treatment -0.901 -0.772 -1.1 -0.5 -0.429 -0.85 -0.417 -0.366938564026647 -0.706733648247802 -1.53 -0.9837 1434405 ChemDiv3_001102 O=C(COc1ccc2ccccc2c1)Oc3ccc(cc3)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C03 compound treatment -0.095 0.0344 0.05 -0.812 -0.741 -1.46 -0.625 -0.574938564026647 -1.10734730199521 -1.4553 -0.7931 1247192 ChemDiv3_001103 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C04 compound treatment -0.113 0.0164 0.02 -0.231 -0.16 -0.32 -0.076 -0.025938564026647 -0.0499583793638278 -0.1973 -0.6168 3020435 ChemDiv3_001104 COc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2CCCN(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C05 compound treatment -0.291 -0.162 -0.23 -0.057 0.0144 0.03 -0.275 -0.224938564026647 -0.433237788477936 -0.3663 -0.7457 1348473 ChemDiv3_001105 O=C(Nc1cccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C06 compound treatment -0.492 -0.363 -0.52 -0.476 -0.405 -0.8 -0.538 -0.487938564026647 -0.939782937206632 -1.3014 -0.9735 1500590 ChemDiv3_001106 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C07 compound treatment -0.3 -0.171 -0.24 0.299 0.37 0.73 -0.149 -0.098938564026647 -0.190558363611717 0.1722 0.217 1484356 ChemDiv3_001107 CCN(CC)C(=S)SCc1cn2cccc(C)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C08 compound treatment -2.861 -2.73 -3.88 -2.164 -2.09 -4.13 -2.149 -2.09893856402665 -4.04261272656758 -6.9618 -0.9997 3020436 ChemDiv3_001108 O=C(Nc1ccc(C#N)cc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C09 compound treatment -0.703 -0.574 -0.82 0.513 0.584 1.15 -0.205 -0.154938564026647 -0.298415885774481 0.0231 0.016 1425597 ChemDiv3_001109 CCOC(=O)c1ccc(o1)c2coc3cc(OC(=O)C)c(CC)cc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C10 compound treatment -1.044 -0.915 -1.3 -0.391 -0.32 -0.63 0.202 0.252061435973353 0.485477177087037 -0.8348 -0.5475 3118606 ChemDiv3_001110 O=C(Nc1ccccc1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C11 compound treatment -0.522 -0.393 -0.56 -0.415 -0.344 -0.68 -0.025 0.025061435973353 0.0482690068915467 -0.6861 -0.7798 3020437 ChemDiv3_001111 COc1ccccc1/C=C/C/2=N/C(=C\c3ccc4OCOc4c3)/C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C12 compound treatment 0.057 0.186 0.27 -1.272 -1.2 -2.37 0.1 0.150061435973353 0.289022404576288 -1.0487 -0.4365 3118607 ChemDiv3_001112 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccccc3)/C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C13 compound treatment -1.136 -1.01 -1.43 -1.149 -1.08 -2.13 -1.042 -0.991938564026647 -1.91050063667151 -3.1577 -0.9875 1917708 ChemDiv3_001113 Sc1nc2ccccc2n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C14 compound treatment 2.591 2.72 2.21 5.328 5.4 3.56 3.486 3.53606143597335 3.15584443902389 5.1578 0.9825 1591681 ChemDiv3_001114 Cc1cc(C)c2C3C=CCC3C(N4CC5CC=CC5c1c42)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C15 compound treatment -1.008 -0.879 -1.25 -0.836 -0.765 -1.51 -1.0 -0.949938564026647 -1.82960749504944 -2.6491 -0.9882 3118901 ChemDiv3_001115 Cc1sc(/N=C/c2cn(Cc3ccccc3)c4ccccc24)c(C#N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C16 compound treatment -1.782 -1.65 -2.35 -1.25 -1.18 -2.33 0.013 0.063061435973353 0.121458039787708 -2.63 -0.7947 3118746 ChemDiv3_001116 CSc1ccc(/C=N/N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C17 compound treatment -0.662 -0.533 -0.76 0.431 0.502 0.99 0.02 0.070061435973353 0.134940230058054 0.2135 0.1701 1358774 ChemDiv3_001117 Clc1ccc(cc1)C(=O)COC(=O)C2CC=CCC2C(=O)OCC(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C18 compound treatment 0.514 0.643 0.91 0.438 0.509 1.01 0.365 0.415061435973353 0.79941960766794 1.5704 0.9957 3118747 ChemDiv3_001118 CC[n+]1ccccc1/C=C/N(C(=O)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C19 compound treatment -0.453 -0.324 -0.46 -0.128 -0.0566 -0.11 0.182 0.232061435973353 0.446956633457479 -0.0721 -0.1107 1915904 ChemDiv3_001119 O=C1NC(=O)/C(=C\c2ccco2)/C(=O)N1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C20 compound treatment -1.027 -0.898 -1.28 -0.692 -0.621 -1.23 -0.667 -0.616938564026647 -1.18824044361729 -2.1303 -0.9996 3118748 ChemDiv3_001120 Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C21 compound treatment -1.145 -1.02 -1.44 -0.4 -0.329 -0.65 -0.784 -0.733938564026647 -1.4135856238502 -2.0244 -0.9539 3020438 ChemDiv3_001121 Cc1n[nH]c(=S)n(/N=C/C=C/c2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C22 compound treatment -2.107 -1.98 -2.81 -3.016 -2.94 -5.81 -0.634 -0.583938564026647 -1.12468154662851 -5.6294 -0.8587 1314862 ChemDiv3_001122 CC(Oc1ccc2ccccc2c1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C23 mock treatment -0.099 0.0304 0.04 -0.443 -0.372 -0.73 -0.253 -0.202938564026647 -0.390865190485422 -0.6243 -0.75 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 C24 mock treatment -1.687 -1.56 -2.21 -0.233 -0.162 -0.32 0.11 0.160061435973353 0.308282676391067 -1.2848 -0.5688 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D01 compound treatment -1.018 -0.889 -1.26 -0.41 -0.339 -0.67 -0.938 -0.887938564026647 -1.7101938097978 -2.1028 -0.9434 3020439 ChemDiv3_001123 Clc1ccc(cc1)c2ncc3ccccn23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D02 compound treatment 0.094 0.223 0.32 -0.185 -0.114 -0.22 0.117 0.167061435973353 0.321764866661413 0.2397 0.475 1146210 ChemDiv3_001124 CN(C)CCNc1cnn(c2ccccc2)c(=O)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D03 compound treatment -0.34 -0.211 -0.3 -0.176 -0.105 -0.21 -0.091 -0.040938564026647 -0.0788487870859968 -0.3376 -0.9071 1432100 ChemDiv3_001125 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D04 compound treatment 0.745 0.874 1.24 0.464 0.535 1.06 0.254 0.304061435973353 0.58563059052389 1.6663 0.961 1339626 ChemDiv3_001126 OC(=O)CCC(=O)Nc1sc2CCCCc2c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D05 compound treatment -0.71 -0.581 -0.83 -0.357 -0.286 -0.56 -0.514 -0.463938564026647 -0.893558284851162 -1.318 -0.983 1228834 ChemDiv3_001127 CCCCc1c(O)nc(SCCN(C)C)n(c2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D06 compound treatment -0.105 0.0244 0.03 -1.222 -1.15 -2.27 -1.074 -1.02393856402665 -1.9721335064788 -2.4302 -0.8078 3020440 ChemDiv3_001128 OC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D07 compound treatment -0.36 -0.231 -0.33 -0.212 -0.141 -0.28 -0.882 -0.831938564026647 -1.60233628763504 -1.2746 -0.7684 1175621 ChemDiv3_001129 Cc1c(Cl)c(O)c(Cl)c(C)c1N(S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D08 compound treatment -1.987 -1.86 -2.64 -1.72 -1.65 -3.26 -0.61 -0.559938564026647 -1.07845689427304 -4.0268 -0.9303 1419799 ChemDiv3_001130 COc1ccc(CNCc2cccc(OC)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D09 compound treatment 0.821 0.95 1.35 -1.484 -1.41 -2.79 -3.242 -3.19193856402665 -6.14776043592296 -4.3796 -0.6361 1117976 ChemDiv3_001131 CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D10 compound treatment -0.506 -0.377 -0.54 -0.481 -0.41 -0.81 -0.017 0.033061435973353 0.0636772243433702 -0.7393 -0.7606 1501667 ChemDiv3_001132 COC(=O)c1ccc(Oc2nc(OC)nc(n2)N(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D11 compound treatment 0.215 0.344 0.49 0.099 0.17 0.34 0.341 0.391061435973353 0.75319495531247 0.9119 0.9505 3118749 ChemDiv3_001133 COc1ccc(cc1)C(=O)N2N3ON=C(N3c4ccccc24)c5c(C)cc(C)cc5C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D12 compound treatment 0.845 0.974 1.39 -0.029 0.0424 0.08 -0.172 -0.121938564026647 -0.234856988785709 0.7126 0.5063 1634877 ChemDiv3_001134 Cc1nc(=O)c(c(C)n1c2ccc(cc2)C(=O)O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D13 compound treatment -0.347 -0.218 -0.31 0.013 0.0844 0.17 -0.045 0.005061435973353 0.00974846326198809 -0.0767 -0.2182 3118750 ChemDiv3_001135 COc1ccc(OC)c(c1)c2cc(on2)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D14 compound treatment -1.54 -1.41 -2.01 -2.288 -2.22 -4.38 -1.254 -1.20393856402665 -2.31881839914483 -5.0235 -0.9401 1149659 ChemDiv3_001136 Cc1cc(nn1C(CC(=O)O)C(=O)O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D15 compound treatment -1.0 -0.871 -1.24 -1.348 -1.28 -2.52 -1.148 -1.09793856402665 -2.11465951790817 -3.3908 -0.9646 3020658 ChemDiv3_001137 Cn1c(=O)n(Cc2ccccc2)c(=O)c3n(Cc4ccccc4)c(Cl)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D16 compound treatment -0.044 0.0854 0.12 -0.197 -0.126 -0.25 -0.167 -0.116938564026647 -0.22522685287832 -0.2031 -0.5699 1680766 ChemDiv3_001138 NS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N3CCOCC3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D17 compound treatment -0.467 -0.338 -0.48 0.048 0.119 0.24 0.316 0.366061435973353 0.705044275775521 0.2661 0.3007 1707287 ChemDiv3_001139 COc1ccc(cc1)c2nc(=O)c3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D18 compound treatment -0.136 -0.00659 -0.01 -0.778 -0.707 -1.4 -0.623 -0.572938564026647 -1.10349524763226 -1.448 -0.814 3118751 ChemDiv3_001140 Cc1nc2ccccc2c(=O)n1NC(=O)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D19 compound treatment -0.265 -0.136 -0.19 -0.029 0.0424 0.08 -0.171 -0.120938564026647 -0.232930961604231 -0.1974 -0.6292 1655686 ChemDiv3_001141 C(Oc1ccccc1)c2nc3c4c5CCCCc5sc4ncn3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D20 compound treatment -1.264 -1.13 -1.61 -0.862 -0.791 -1.56 0.192 0.242061435973353 0.466216905272258 -1.5634 -0.6819 1270051 ChemDiv3_001142 CCN(C(=O)C1c2ccccc2Oc3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D21 compound treatment 1.212 1.34 1.73 -0.59 -0.519 -1.02 -0.81 -0.759938564026647 -1.46366233056863 -0.4364 -0.1754 3020662 ChemDiv3_001143 CC(C)(C)N1Sc2ccccc2NC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D22 compound treatment -1.153 -1.02 -1.46 -0.616 -0.545 -1.08 -0.282 -0.231938564026647 -0.446719978748282 -1.7189 -0.9223 1371498 ChemDiv3_001144 Clc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCCC3)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D23 mock treatment 0.286 0.415 0.59 0.296 0.367 0.73 -0.083 -0.032938564026647 -0.0634405696341733 0.7232 0.7713 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 D24 mock treatment 0.015 0.144 0.21 0.155 0.226 0.45 0.0 0.050061435973353 0.096419686428495 0.4323 0.8624 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E01 compound treatment -0.314 -0.185 -0.26 -0.198 -0.127 -0.25 -0.221 -0.170938564026647 -0.329232320678128 -0.4859 -0.9924 3020664 ChemDiv3_001145 NN(CCC#N)C1=NS(=O)(=O)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E02 compound treatment -0.624 -0.495 -0.7 -0.466 -0.395 -0.78 -0.851 -0.800938564026647 -1.54262944500922 -1.7464 -0.936 1565298 ChemDiv3_001146 Cc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E03 compound treatment -1.013 -0.884 -1.26 -0.477 -0.406 -0.8 -0.372 -0.321938564026647 -0.620062425081296 -1.5456 -0.9578 1023964 ChemDiv3_001147 O=c1cc(ss1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E04 compound treatment -0.906 -0.777 -1.1 -1.024 -0.953 -1.88 -0.907 -0.856938564026647 -1.65048696717199 -2.6763 -0.9785 1128679 ChemDiv3_001148 OC(=O)C1CCCN(C1)S(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E05 compound treatment -1.222 -1.09 -1.55 -0.593 -0.522 -1.03 -1.865 -1.81493856402665 -3.49562100702785 -3.5096 -0.8859 3020666 ChemDiv3_001149 NC(=O)c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E06 compound treatment -0.902 -0.773 -1.1 0.17 0.241 0.48 -0.069 -0.018938564026647 -0.0364761890934823 -0.38 -0.3172 1433984 ChemDiv3_001150 COC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)CC(C2)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E07 compound treatment -0.636 -0.507 -0.72 0.073 0.144 0.29 -0.403 -0.352938564026647 -0.679769267707112 -0.6437 -0.6245 1622867 ChemDiv3_001151 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E08 compound treatment -0.204 -0.0746 -0.11 -1.187 -1.12 -2.2 -1.597 -1.54693856402665 -2.97944572239176 -3.0531 -0.8237 3118752 ChemDiv3_001152 CC(C)c1cc(C(C)C)c(N)c(c1)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E09 compound treatment 0.659 0.788 1.12 0.0 0.0714 0.14 0.535 0.585061435973353 1.12684422851919 1.3792 0.8643 3020668 ChemDiv3_001153 CC(C)OC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E10 compound treatment -0.674 -0.545 -0.77 -0.219 -0.148 -0.29 -0.305 -0.254938564026647 -0.491018603922274 -0.8987 -0.9342 1484844 ChemDiv3_001154 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E11 compound treatment 0.235 0.364 0.52 -0.224 -0.153 -0.3 -0.559 -0.508938564026647 -0.980229508017669 -0.4407 -0.3836 1314682 ChemDiv3_001155 O=C(Nc1nccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E12 compound treatment 0.154 0.283 0.4 -0.123 -0.0516 -0.1 0.162 0.212061435973353 0.40843608982792 0.4097 0.703 3020722 ChemDiv3_001156 COc1cc(/C=C\2/S/C(=N\c3cc(C)cc(C)c3)/NC2=O)cc(Br)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E13 compound treatment -0.517 -0.388 -0.55 0.017 0.0884 0.17 -0.631 -0.580938564026647 -1.11890346508408 -0.8633 -0.6855 1326481 ChemDiv3_001157 Sc1nnc(CCn2c3ccccc3c4ccccc24)n1CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E14 compound treatment 0.016 0.145 0.21 0.083 0.154 0.3 0.13 0.180061435973353 0.346803220020626 0.4956 0.9796 3020724 ChemDiv3_001158 Cc1ccc(cc1)c2nnc(SCC=C)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E15 compound treatment -0.635 -0.506 -0.72 -0.212 -0.141 -0.28 -0.241 -0.190938564026647 -0.367752864307687 -0.7876 -0.9224 1337418 ChemDiv3_001159 O=S(=O)(N1CCCCC1)c2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E16 compound treatment -0.897 -0.768 -1.09 -0.526 -0.455 -0.9 -0.88 -0.829938564026647 -1.59848423327209 -2.0712 -0.9708 3020725 ChemDiv3_001160 CN(/N=C/c1cccc(Br)c1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E17 compound treatment -0.667 -0.538 -0.76 -0.492 -0.421 -0.83 -0.747 -0.696938564026647 -1.34232261813552 -1.6957 -0.9669 1502789 ChemDiv3_001161 Cc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E18 compound treatment -2.583 -2.45 -3.49 -2.34 -2.27 -4.48 -2.575 -2.52493856402665 -4.86310030587718 -7.4079 -0.991 1562439 ChemDiv3_001162 OCCc1c(c2ccccc2)n(Cc3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E19 compound treatment -1.015 -0.886 -1.26 -0.618 -0.547 -1.08 -0.849 -0.798938564026647 -1.53877739064627 -2.2384 -0.9895 1347662 ChemDiv3_001163 CC(NC(=O)COc1ccccc1C(C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E20 compound treatment -0.579 -0.45 -0.64 0.274 0.345 0.68 0.297 0.347061435973353 0.668449759327441 0.4107 0.3574 3118753 ChemDiv3_001164 OC(=O)/C=C/C(=O)Nc1sc2CCCc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E21 compound treatment 0.116 0.245 0.35 -1.222 -1.15 -2.27 -0.214 -0.163938564026647 -0.315750130407782 -1.2925 -0.5571 1411190 ChemDiv3_001165 COC(=O)C1=C(C)NC(=C(C1c2ccc(cc2)C(C)C)C(=O)OC)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E22 compound treatment 0.033 0.162 0.23 0.24 0.311 0.61 0.354 0.404061435973353 0.778233308671683 0.9377 0.9207 3118754 ChemDiv3_001166 COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E23 mock treatment -1.253 -1.12 -1.6 0.103 0.174 0.34 0.014 0.064061435973353 0.123384066969186 -0.6522 -0.398 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 E24 mock treatment -0.5 -0.371 -0.53 0.105 0.176 0.35 -0.07 -0.019938564026647 -0.0384022162749602 -0.1252 -0.1979 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F01 compound treatment -1.07 -0.941 -1.34 -1.211 -1.14 -2.25 -1.224 -1.17393856402665 -2.26103758370049 -3.3766 -0.9762 1523805 ChemDiv3_001167 Clc1ccc(cc1Cl)c2csc(NC(=O)C3CC3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F02 compound treatment -1.262 -1.13 -1.61 -0.59 -0.519 -1.02 0.057 0.107061435973353 0.206203235772737 -1.4018 -0.7303 1457223 ChemDiv3_001168 COc1ccccc1NC(=O)CSc2nc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F03 compound treatment -1.541 -1.41 -2.01 -0.31 -0.239 -0.47 -0.42 -0.369938564026647 -0.712511729792236 -1.8421 -0.8445 1694096 ChemDiv3_001169 Cc1nc2cc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)ccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F04 compound treatment -0.855 -0.726 -1.03 -0.263 -0.192 -0.38 -0.471 -0.420938564026647 -0.810739116047611 -1.2821 -0.9389 1719103 ChemDiv3_001170 CCC1(CC)Cc2ccccc2-c3nc4SCCn4c(=O)c31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F05 compound treatment -1.102 -0.973 -1.38 -0.558 -0.487 -0.96 -0.662 -0.611938564026647 -1.1786103077099 -2.0335 -0.9894 1784397 ChemDiv3_001171 CCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F06 compound treatment -0.313 -0.184 -0.26 0.105 0.176 0.35 -0.429 -0.378938564026647 -0.729845974425538 -0.3709 -0.4365 3118755 ChemDiv3_001172 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F07 compound treatment -0.857 -0.728 -1.03 -0.481 -0.41 -0.81 -0.758 -0.707938564026647 -1.36350891713178 -1.8514 -0.978 1922655 ChemDiv3_001173 Cc1ccc(cc1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F08 compound treatment -1.721 -1.59 -2.26 -0.466 -0.395 -0.78 -0.64 -0.589938564026647 -1.13623770971738 -2.4123 -0.9105 1328915 ChemDiv3_001174 COc1cccc(c1)N2C(=O)CC(SCC(=O)Nc3ccc4ccccc4c3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F09 compound treatment -1.1 -0.971 -1.38 -0.436 -0.365 -0.72 0.075 0.125061435973353 0.24087172503934 -1.0733 -0.6814 1522826 ChemDiv3_001175 Cc1ccc2n(C)cc(C(=O)O)c(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F10 compound treatment -0.85 -0.721 -1.02 -0.472 -0.401 -0.79 -0.883 -0.832938564026647 -1.60426231481652 -1.9744 -0.9578 3118902 ChemDiv3_001176 O=C(COC(=O)c1cccs1)c2ccc3OCCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F11 compound treatment 0.151 0.28 0.4 -0.902 -0.831 -1.64 -0.091 -0.040938564026647 -0.0788487870859968 -0.7622 -0.4511 3118903 ChemDiv3_001177 Cc1cc(C)c(C2=NON3N(C(=O)c4cccs4)c5ccccc5N32)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F12 compound treatment -0.468 -0.339 -0.48 -0.929 -0.858 -1.69 -0.061 -0.010938564026647 -0.0210679716416588 -1.2677 -0.7201 1311807 ChemDiv3_001178 Cc1noc(n1)c2ccccc2OC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F13 compound treatment -1.072 -0.943 -1.34 -0.349 -0.278 -0.55 -0.403 -0.352938564026647 -0.679769267707112 -1.4826 -0.9269 3020393 ChemDiv3_001179 CCOC(=O)c1cc(no1)c2cc(OC)ccc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F14 compound treatment -0.423 -0.294 -0.42 -0.032 0.0394 0.08 -0.059 -0.008938564026647 -0.017215917278703 -0.206 -0.4847 1637396 ChemDiv3_001180 COc1nc(C)nc(NCC=C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F15 compound treatment -1.663 -1.53 -2.18 -0.934 -0.863 -1.7 -1.232 -1.18193856402665 -2.27644580115232 -3.5565 -0.9926 3118904 ChemDiv3_001181 Cc1ccc(cc1)C2C(=C(Oc3ccccc23)c4cccs4)C=C5C(=O)NC(=O)NC5=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F16 compound treatment -0.698 -0.569 -0.81 -0.596 -0.525 -1.04 -0.926 -0.875938564026647 -1.68708148362007 -2.0388 -0.9534 1442359 ChemDiv3_001182 COc1ccc(OCC(O)Cn2nc(C)cc2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F17 compound treatment -1.377 -1.25 -1.77 -1.038 -0.967 -1.91 -2.015 -1.96493856402665 -3.78452508424954 -4.311 -0.9382 3118905 ChemDiv3_001183 CN(C)c1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F18 compound treatment -0.039 0.0904 0.13 -0.1 -0.0286 -0.06 0.089 0.139061435973353 0.267836105580031 0.1963 0.6491 1362058 ChemDiv3_001184 COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F19 compound treatment -0.085 0.0444 0.06 0.0 0.0714 0.14 -0.145 -0.094938564026647 -0.182854254885805 0.0123 0.0515 3118906 ChemDiv3_001185 C1CCc2c(C1)sc3ncn4nc(nc4c23)c5cccnc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F20 compound treatment -0.863 -0.734 -1.04 -0.544 -0.473 -0.93 -0.528 -0.477938564026647 -0.920522665391853 -1.6724 -0.9984 1616159 ChemDiv3_001186 Cc1ccc(CNC(=O)C2c3ccccc3Oc4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F21 compound treatment -0.348 -0.219 -0.31 0.018 0.0894 0.18 0.056 0.106061435973353 0.204277208591259 0.0405 0.0983 1782607 ChemDiv3_001187 CCC(CC(C)(C)O)c1n[nH]c(=S)n1CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F22 compound treatment -0.444 -0.315 -0.45 0.03 0.101 0.2 -0.947 -0.896938564026647 -1.72752805443111 -1.14 -0.6348 3118907 ChemDiv3_001188 O=C(CSC1=NC(=O)C(C(=O)N1)c2ccccc2)NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F23 mock treatment 0.244 0.373 0.53 -0.081 -0.00956 -0.02 0.278 0.328061435973353 0.63185524287936 0.6604 0.8 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 F24 mock treatment 0.016 0.145 0.21 -0.098 -0.0266 -0.05 -0.039 0.011061435973353 0.0213046263508557 0.1014 0.473 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G01 compound treatment 0.0 0.129 0.18 -0.439 -0.368 -0.73 -0.221 -0.170938564026647 -0.329232320678128 -0.5029 -0.6148 3020400 ChemDiv3_001189 C=CCn1c(n[nH]c1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G02 compound treatment -0.694 -0.565 -0.8 -0.703 -0.632 -1.25 -0.903 -0.852938564026647 -1.64278285844608 -2.1319 -0.9633 1285595 ChemDiv3_001190 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc-3c(CCc4ccccc34)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G03 compound treatment 0.269 0.398 0.57 -0.065 0.00644 0.01 0.065 0.115061435973353 0.221611453224561 0.4623 0.7599 1230309 ChemDiv3_001191 C[N+]1(CCC2CC1)C(=C)C2(O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G04 compound treatment -0.279 -0.15 -0.21 -0.333 -0.262 -0.52 -0.067 -0.016938564026647 -0.0326241347305264 -0.4398 -0.7861 3118908 ChemDiv3_001192 COc1ccc2c(C)cc(Sc3nnnn3c4ccccc4)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G05 compound treatment -0.917 -0.788 -1.12 -0.25 -0.179 -0.35 -0.056 -0.005938564026647 -0.0114378357342692 -0.8567 -0.7297 3020403 ChemDiv3_001193 Cc1ccc(/N=C\2/C(=O)Nc3ccccc23)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G06 compound treatment -0.539 -0.41 -0.58 -0.157 -0.0856 -0.17 -0.408 -0.357938564026647 -0.689399403614501 -0.8318 -0.906 1391577 ChemDiv3_001194 COC(=O)C1=C(C)NC2=C(C1c3ccccc3OC(C)C)C(=O)CC(C2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G07 compound treatment -1.746 -1.62 -2.3 -0.382 -0.311 -0.61 -0.857 -0.806938564026647 -1.55418560809809 -2.5783 -0.9074 1779181 ChemDiv3_001195 Cc1cc(=O)[nH]c(SC(C(=O)O)c2ccccc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G08 compound treatment -2.309 -2.18 -3.1 -1.738 -1.67 -3.29 -1.932 -1.88193856402665 -3.62466482818687 -5.7817 -0.9979 1705952 ChemDiv3_001196 O=C(C(Sc1nc2ccccc2[nH]1)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G09 compound treatment -0.561 -0.432 -0.61 -0.918 -0.847 -1.67 -0.855 -0.804938564026647 -1.55033355373514 -2.2144 -0.9379 3020442 ChemDiv3_001197 COc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G10 compound treatment -0.743 -0.614 -0.87 -0.255 -0.184 -0.36 0.543 0.593061435973353 1.14225244597101 -0.0535 -0.0361 1503189 ChemDiv3_001198 CNC(=O)c1ccc2nc(N)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G11 compound treatment -0.486 -0.357 -0.51 -1.039 -0.968 -1.91 -0.128 -0.077938564026647 -0.15011179280068 -1.4824 -0.7478 1316072 ChemDiv3_001199 O=S(=O)(N1CCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G12 compound treatment -0.697 -0.568 -0.81 0.029 0.1 0.2 0.233 0.283061435973353 0.545184019712853 -0.0367 -0.0369 3118909 ChemDiv3_001200 Cc1cc(/C=C/2\SC(=O)NC2=O)c(C)n1c3cc(C)cc(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G13 compound treatment -1.355 -1.23 -1.74 -1.212 -1.14 -2.25 -1.145 -1.09493856402665 -2.10888143636374 -3.5238 -0.9945 3020445 ChemDiv3_001201 CC(=C)Cn1c(SCC(=O)O)nnc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G14 compound treatment -0.255 -0.126 -0.18 0.177 0.248 0.49 -0.041 0.009061435973353 0.0174525719878998 0.1902 0.3641 3118910 ChemDiv3_001202 Cc1ccc(cc1)c2nnc(SC(=O)OCc3ccccc3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G15 compound treatment -1.085 -0.956 -1.36 -1.79 -1.72 -3.39 -1.277 -1.22693856402665 -2.36311702431882 -4.1079 -0.9438 3118911 ChemDiv3_001203 COc1ccc(cc1)n2cnc3cc(/N=C/c4nc5ccccc5n4C)ccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G16 compound treatment -0.764 -0.635 -0.9 -0.5 -0.429 -0.85 0.048 0.098061435973353 0.188868991139436 -0.9004 -0.7196 3020449 ChemDiv3_001204 CN(/N=C/c1ccc(C)cc1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G17 compound treatment -0.861 -0.732 -1.04 -0.317 -0.246 -0.48 -0.078 -0.027938564026647 -0.0538104337267837 -0.9115 -0.7934 3118912 ChemDiv3_001205 CCCCC(=O)/C=C/n1c(=S)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G18 compound treatment -1.217 -1.09 -1.55 -1.151 -1.08 -2.13 -1.621 -1.57093856402665 -3.02567037474723 -3.8703 -0.9649 3020450 ChemDiv3_001206 CNCCc1c(c2ccccc2)n(c3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G19 compound treatment -1.406 -1.28 -1.82 -0.011 0.0604 0.12 -0.812 -0.761938564026647 -1.46751438493159 -1.8263 -0.7814 1598116 ChemDiv3_001207 CC(C)(C)c1ccccc1OCC(=O)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G20 compound treatment -0.682 -0.553 -0.79 -0.493 -0.422 -0.83 -0.556 -0.505938564026647 -0.974451426473235 -1.4968 -0.9957 1411248 ChemDiv3_001208 CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C31C(=O)Nc4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G21 compound treatment -0.25 -0.121 -0.17 -0.153 -0.0816 -0.16 -0.425 -0.374938564026647 -0.722141865699626 -0.6089 -0.8017 1864191 ChemDiv3_001209 CCC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G22 compound treatment -0.442 -0.313 -0.44 -0.159 -0.0876 -0.17 -0.04 0.010061435973353 0.0193785991693777 -0.3452 -0.7233 3020455 ChemDiv3_001210 O=C/1N(Cc2ccccc2)C(=S)S\C1=C/c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G23 mock treatment 0.016 0.145 0.21 0.468 0.539 1.07 0.227 0.277061435973353 0.533627856623985 1.0424 0.8621 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 G24 mock treatment 0.044 0.173 0.25 0.029 0.1 0.2 0.037 0.087061435973353 0.167682692143178 0.3537 0.9876 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H01 compound treatment -1.831 -1.7 -2.42 -1.373 -1.3 -2.57 -1.313 -1.26293856402665 -2.43245400285203 -4.2849 -0.9996 3118913 ChemDiv3_001211 O=C(/C(=C/1\Nc2ccccc2S1)/C#N)c3ccc(cc3)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H02 compound treatment -0.761 -0.632 -0.9 -0.914 -0.843 -1.66 -0.393 -0.342938564026647 -0.660508995892332 -1.8603 -0.9289 3020457 ChemDiv3_001212 FC(F)(F)c1cccc(c1)N2C(=O)CC(C3CCCO3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H03 compound treatment -1.231 -1.1 -1.57 -1.282 -1.21 -2.39 -0.868 -0.817938564026647 -1.57537190709435 -3.1938 -0.9788 1133915 ChemDiv3_001213 CC1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H04 compound treatment -1.515 -1.39 -1.97 -2.615 -2.54 -5.02 -1.417 -1.36693856402665 -2.63276082972573 -5.557 -0.9257 1679724 ChemDiv3_001214 OC(=O)CCSc1nc2ccccc2n1C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H05 compound treatment -0.917 -0.788 -1.12 -0.699 -0.628 -1.24 -0.342 -0.291938564026647 -0.562281609636958 -1.6866 -0.957 3118914 ChemDiv3_001215 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H06 compound treatment -0.5 -0.371 -0.53 0.023 0.0944 0.19 0.095 0.145061435973353 0.279392268668899 -0.0352 -0.0564 3020524 ChemDiv3_001216 Clc1ccc(SCCc2nc3ccccc3o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H07 compound treatment -0.989 -0.86 -1.22 -0.707 -0.636 -1.25 -1.467 -1.41693856402665 -2.72906218879963 -3.0058 -0.9269 1413360 ChemDiv3_001217 Clc1ccc(SCC2=NN(C(=O)C2)c3nc4ccccc4s3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H08 compound treatment -1.227 -1.1 -1.56 -0.912 -0.841 -1.66 -0.068 -0.017938564026647 -0.0345501619120044 -1.8792 -0.8248 1533668 ChemDiv3_001218 Cc1ccc(SC2=NS(=O)(=O)c3ccccc23)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H09 compound treatment 0.829 0.958 1.36 -0.437 -0.366 -0.72 -0.614 -0.563938564026647 -1.08616100299896 -0.2571 -0.1363 3118915 ChemDiv3_001219 COc1ccc(OCCSc2nc3ccccc3s2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H10 compound treatment -1.46 -1.33 -1.89 -1.295 -1.22 -2.42 -0.238 -0.187938564026647 -0.361974782763253 -2.6961 -0.8726 1368307 ChemDiv3_001220 COc1ccc(cc1)C(=O)CSc2nc3cc(OC)ccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H11 compound treatment -0.365 -0.236 -0.33 -0.39 -0.319 -0.63 0.014 0.064061435973353 0.123384066969186 -0.4853 -0.671 1480108 ChemDiv3_001221 COc1cc(cc(OC)c1OC)C(=O)NCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H12 compound treatment 0.408 0.537 0.76 -0.986 -0.915 -1.81 -1.281 -1.23093856402665 -2.37082113304474 -1.9702 -0.6404 1571229 ChemDiv3_001222 COc1ccc(cc1)C(=O)CC(CC(=O)c2ccc(OC)cc2)C#Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H13 compound treatment -1.192 -1.06 -1.51 -0.216 -0.145 -0.29 -0.185 -0.134938564026647 -0.259895342144922 -1.1871 -0.7613 1449253 ChemDiv3_001223 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H14 compound treatment -1.455 -1.33 -1.88 -0.986 -0.915 -1.81 -0.607 -0.556938564026647 -1.07267881272861 -2.75 -0.9745 3020527 ChemDiv3_001224 COc1nc(nc(C)c1Br)N(CC=C)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H15 compound treatment -0.542 -0.413 -0.59 -0.232 -0.161 -0.32 -0.315 -0.264938564026647 -0.510278875737053 -0.8163 -0.9722 1303506 ChemDiv3_001225 COc1ccc(CCn2c(C)nc(=O)c(c2C)c3ccccc3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H16 compound treatment -0.538 -0.409 -0.58 -0.309 -0.238 -0.47 -0.237 -0.186938564026647 -0.360048755581775 -0.8141 -0.9821 1333831 ChemDiv3_001226 NS(=O)(=O)c1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H17 compound treatment -1.017 -0.888 -1.26 -0.774 -0.703 -1.39 -0.325 -0.274938564026647 -0.529539147551833 -1.8352 -0.9418 3020529 ChemDiv3_001227 CCc1cc2c(=O)oc(nc2s1)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H18 compound treatment -0.233 -0.104 -0.15 0.209 0.28 0.55 0.031 0.081061435973353 0.156126529054311 0.3248 0.5469 1332696 ChemDiv3_001228 CCC(C)NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H19 compound treatment -0.421 -0.292 -0.41 -0.432 -0.361 -0.71 -0.818 -0.767938564026647 -1.47907054802045 -1.5043 -0.8885 1174891 ChemDiv3_001229 OC(=O)C1CC(=C(CC1C(=O)c2ccccc2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H20 compound treatment -0.589 -0.46 -0.65 -0.435 -0.364 -0.72 0.013 0.063061435973353 0.121458039787708 -0.7216 -0.7376 1219244 ChemDiv3_001230 CCCNC(=O)N(C)c1nncnc1C(=O)NC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H21 compound treatment 0.514 0.643 0.91 -0.239 -0.168 -0.33 -0.467 -0.416938564026647 -0.803035007321699 -0.1265 -0.1003 1493398 ChemDiv3_001231 O=C1N(CC2OCc3ccccc3CO2)C(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H22 compound treatment -0.852 -0.723 -1.03 -0.484 -0.413 -0.81 -0.154 -0.103938564026647 -0.200188499519106 -1.179 -0.889 1293274 ChemDiv3_001232 Nc1nc(CSc2nnc3c4ccccc4[nH]c3n2)cs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H23 mock treatment 0.0 0.129 0.18 -0.203 -0.132 -0.26 0.348 0.398061435973353 0.766677145582815 0.3989 0.4805 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 H24 mock treatment -0.294 -0.165 -0.23 0.164 0.235 0.46 0.238 0.288061435973353 0.554814155620243 0.4536 0.5963 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I01 compound treatment 0.012 0.141 0.2 0.226 0.297 0.59 -0.193 -0.142938564026647 -0.275303559596746 0.2962 0.4362 3119049 ChemDiv3_001233 CCn1c(n[nH]c1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I02 compound treatment -0.192 -0.0626 -0.09 0.311 0.382 0.76 -0.88 -0.829938564026647 -1.59848423327209 -0.5383 -0.3041 3020534 ChemDiv3_001234 Cc1nc(SCC(=O)O)c2c3CCCCc3sc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I03 compound treatment -0.427 -0.298 -0.42 0.4 0.471 0.93 0.241 0.291061435973353 0.560592237164677 0.6168 0.529 1118354 ChemDiv3_001235 Cc1ccc(cc1)C(=O)Nc2ccc3OCCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I04 compound treatment 0.06 0.189 0.27 0.513 0.584 1.15 -1.575 -1.52493856402665 -2.93707312439925 -0.874 -0.276 1277083 ChemDiv3_001236 CCOC(=O)c1[nH]cnc1C(=O)Nc2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I05 compound treatment -0.685 -0.556 -0.79 -0.491 -0.42 -0.83 -1.241 -1.19093856402665 -2.29378004578562 -2.2587 -0.8811 3119050 ChemDiv3_001237 COc1ccc(/C=N/n2cnc3n(C)c(=O)n(\N=C\c4ccc(OC)cc4)c(=O)c23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I06 compound treatment -1.07 -0.941 -1.34 -1.043 -0.972 -1.92 -1.329 -1.27893856402665 -2.46327043775568 -3.3018 -0.9721 3020597 ChemDiv3_001238 COC(=O)Sc1nnc(o1)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I07 compound treatment -0.656 -0.527 -0.75 -0.319 -0.248 -0.49 -0.557 -0.506938564026647 -0.976377453654713 -1.2782 -0.9654 3020599 ChemDiv3_001239 Cc1cc(=O)[nH]c(SCC(=O)N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I08 compound treatment 0.457 0.586 0.83 -1.309 -1.24 -2.44 -1.826 -1.77593856402665 -3.42050594695021 -2.9043 -0.6777 3119051 ChemDiv3_001240 Cc1ccc(/N=C(\NC(=S)N)/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I09 compound treatment -1.549 -1.42 -2.02 -0.074 -0.00256 -0.01 -0.205 -0.154938564026647 -0.298415885774481 -1.3405 -0.657 3020601 ChemDiv3_001241 CN1CCN(CC1)NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I10 compound treatment -0.58 -0.451 -0.64 -0.375 -0.304 -0.6 -0.076 -0.025938564026647 -0.0499583793638278 -0.7448 -0.8475 3119052 ChemDiv3_001242 CN(C)c1cc[n+](cc1)C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I11 compound treatment 0.011 0.14 0.2 -0.648 -0.577 -1.14 -0.859 -0.808938564026647 -1.55803766246105 -1.4416 -0.7431 3119053 ChemDiv3_001243 COc1ccccc1NC(=O)c/2cc3ccccc3o\c2=N/c4ccccc4F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I12 compound treatment -0.029 0.1 0.14 0.086 0.157 0.31 0.028 0.078061435973353 0.150348447509877 0.3487 0.9332 1781772 ChemDiv3_001244 Cc1cc(/C=C(\C#N)/c2ccccc2)c(C)n1c3cc(C)cc(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I13 compound treatment -0.195 -0.0656 -0.09 0.329 0.4 0.79 -0.721 -0.670938564026647 -1.29224591141709 -0.3434 -0.2263 1709347 ChemDiv3_001245 COc1ccc(cc1OC)c2nnc(S)n2c3ccccc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I14 compound treatment -0.75 -0.621 -0.88 -0.292 -0.221 -0.44 -0.541 -0.490938564026647 -0.945561018751066 -1.3068 -0.9576 1417740 ChemDiv3_001246 OC(COc1cccc2cccnc12)Cn3c4ccccc4c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I15 compound treatment -1.267 -1.14 -1.62 -0.906 -0.835 -1.65 -0.506 -0.455938564026647 -0.878150067399338 -2.3922 -0.9684 1639763 ChemDiv3_001247 CC(C)(C)c1ccc(Cn2c(=N)n(CC(=O)O)c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I16 compound treatment -0.256 -0.127 -0.18 -0.282 -0.211 -0.42 0.461 0.511061435973353 0.984318217089821 0.2243 0.207 3119054 ChemDiv3_001248 COc1ccc(CC/N=C/2\SCC(=O)N2Cc3ccccc3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I17 compound treatment -0.035 0.0944 0.13 0.617 0.688 1.36 0.247 0.297061435973353 0.572148400253544 1.1926 0.8053 3020607 ChemDiv3_001249 Oc1ccccc1/C=N/N2C(=O)C3C4CC(C=C4)C3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I18 compound treatment -1.0 -0.871 -1.24 -0.478 -0.407 -0.8 -0.761 -0.710938564026647 -1.36928699867621 -1.9687 -0.9781 1913826 ChemDiv3_001250 COc1ccc(cc1)n2ccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I19 compound treatment -0.828 -0.699 -0.99 -0.319 -0.248 -0.49 -0.704 -0.653938564026647 -1.25950344933197 -1.5828 -0.9439 3119055 ChemDiv3_001251 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(Cl)c3)/c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I20 compound treatment -0.484 -0.355 -0.5 -0.462 -0.391 -0.77 -0.812 -0.761938564026647 -1.46751438493159 -1.5836 -0.9139 1707679 ChemDiv3_001252 Cc1ccc(Oc2ccccc2)c(NC(=O)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I21 compound treatment -0.062 0.0674 0.1 0.639 0.71 1.4 0.471 0.521061435973353 1.0035784889046 1.4446 0.8363 1775109 ChemDiv3_001253 CC(C)n1c(=S)[nH]c2n(C)c(=O)[nH]c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I22 compound treatment 1.394 1.52 1.82 0.43 0.501 0.99 0.71 0.760061435973353 1.46389898527783 2.4696 0.9725 3020611 ChemDiv3_001254 Oc1ccc(CN2CCCC2)c3cccnc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I23 mock treatment -1.456 -1.33 -1.89 0.0 0.0714 0.14 0.027 0.077061435973353 0.148422420328399 -0.9218 -0.4859 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 I24 mock treatment -0.044 0.0854 0.12 0.172 0.243 0.48 0.22 0.270061435973353 0.52014566635364 0.6479 0.9017 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J01 compound treatment -2.164 -2.03 -2.89 -1.367 -1.3 -2.56 -0.922 -0.871938564026647 -1.67937737489416 -4.1166 -0.9776 3119056 ChemDiv3_001255 CN1/C(=C(\C#N)/C(=O)c2ccc(F)cc2)/Nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J02 compound treatment -1.451 -1.32 -1.88 -0.937 -0.866 -1.71 -0.971 -0.920938564026647 -1.77375270678658 -3.0957 -0.9992 3020669 ChemDiv3_001256 COc1ccc(Br)cc1/C=C/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J03 compound treatment -1.0 -0.871 -1.24 -0.084 -0.0126 -0.02 -0.935 -0.884938564026647 -1.70441572825337 -1.713 -0.8132 3119057 ChemDiv3_001257 CC1=C(C(c2ccccc2)n3c(=O)/c(=C/c4cccs4)/sc3=N1)C(=O)Nc5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J04 compound treatment -0.782 -0.653 -0.93 -0.41 -0.339 -0.67 -0.806 -0.755938564026647 -1.45595822184272 -1.7622 -0.9519 3020672 ChemDiv3_001258 Fc1ccccc1OCCSc2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J05 compound treatment -0.304 -0.175 -0.25 -0.472 -0.401 -0.79 -1.048 -0.997938564026647 -1.92205679976038 -1.7097 -0.8168 3119058 ChemDiv3_001259 FC(F)(F)c1cccc(N/C=C(/C#N)\c2nc(cs2)c3ccc4OCOc4c3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J06 compound treatment -0.062 0.0674 0.1 0.403 0.474 0.94 0.073 0.123061435973353 0.237019670676384 0.733 0.7549 3020674 ChemDiv3_001260 O=C/1N\C(=N/S(=O)(=O)c2ccccc2)\S\C1=C\c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J07 compound treatment -0.592 -0.463 -0.66 0.21 0.281 0.56 0.083 0.133061435973353 0.256279942491163 0.0891 0.0992 3119059 ChemDiv3_001261 CC1(C)CC(=O)C(=CNC2CCCC2)C(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J08 compound treatment -0.556 -0.427 -0.61 -0.393 -0.322 -0.63 -0.542 -0.491938564026647 -0.947487045932544 -1.2638 -0.9783 1223136 ChemDiv3_001262 OC(=O)CCC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J09 compound treatment -0.585 -0.456 -0.65 -0.193 -0.122 -0.24 -0.602 -0.551938564026647 -1.06304867682122 -1.1263 -0.8884 1160808 ChemDiv3_001263 CC(=O)Oc1ccccc1C(=O)N2CCCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J10 compound treatment -0.212 -0.0826 -0.12 -0.246 -0.175 -0.34 -0.26 -0.209938564026647 -0.404347380755767 -0.5002 -0.9193 1127019 ChemDiv3_001264 N=c1n(CC(=O)c2ccco2)c3ccccc3n1Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J11 compound treatment -0.506 -0.377 -0.54 -1.131 -1.06 -2.09 -0.013 0.037061435973353 0.0713813330692819 -1.4758 -0.683 3020678 ChemDiv3_001265 O=C(CSc1nc2ccccc2s1)OCN3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J12 compound treatment 0.111 0.24 0.34 -0.371 -0.3 -0.59 -0.178 -0.127938564026647 -0.246413151874577 -0.2864 -0.3944 3119060 ChemDiv3_001266 C1C(=CC(=NN=C1c2cccs2)c3cccs3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J13 compound treatment -0.672 -0.543 -0.77 -0.361 -0.29 -0.57 -0.303 -0.252938564026647 -0.487166549559318 -1.0568 -0.9814 1124209 ChemDiv3_001267 O=C(CCN1C(=O)c2ccccc2C1=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J14 compound treatment -0.892 -0.763 -1.08 -0.359 -0.288 -0.57 -0.78 -0.729938564026647 -1.40588151512429 -1.7655 -0.9472 3020681 ChemDiv3_001268 CCNc1nc(NCC)nc(OCCOC(=O)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J15 compound treatment -1.042 -0.913 -1.3 -0.392 -0.321 -0.63 -1.525 -1.47493856402665 -2.84077176532535 -2.7547 -0.8645 1222243 ChemDiv3_001269 COc1ccc(cc1OC)C2=CC(c3ccccc3)c4ccccc4O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J16 compound treatment 0.871 1.0 1.42 0.689 0.76 1.5 0.712 0.762061435973353 1.46775103964078 2.5355 0.9998 1443019 ChemDiv3_001270 O=C(Nc1ccc(cc1)N2CCCCC2)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J17 compound treatment -0.409 -0.28 -0.4 -0.057 0.0144 0.03 -0.4 -0.349938564026647 -0.673991186162678 -0.6022 -0.7691 1518842 ChemDiv3_001271 CCOC(=O)c1cc2c3c4CCCCc4oc3cc(I)c2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J18 compound treatment 0.112 0.241 0.34 -0.092 -0.0206 -0.04 1.275 1.32506143597335 2.25583458540072 1.4771 0.6473 3020684 ChemDiv3_001272 FC(F)(F)c1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J19 compound treatment -0.063 0.0664 0.09 0.059 0.13 0.26 0.141 0.191061435973353 0.367989519016883 0.4157 0.9056 3119061 ChemDiv3_001273 Fc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccccc3)C(=O)NCCc4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J20 compound treatment -0.303 -0.174 -0.25 -0.533 -0.462 -0.91 -0.473 -0.422938564026647 -0.814591170410567 -1.139 -0.9134 1484388 ChemDiv3_001274 Cc1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N3CCCC3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J21 compound treatment 0.521 0.65 0.92 0.719 0.79 1.56 0.618 0.668061435973353 1.28670448458186 2.1779 0.9792 3020364 ChemDiv3_001275 CN(C)c1ccc(/C=C(\C#N)/C(=C(C#N)C#N)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J22 compound treatment -1.336 -1.21 -1.72 -2.773 -2.7 -5.33 -3.62 -3.56993856402665 -6.87579871052162 -8.0399 -0.9064 1381241 ChemDiv3_001276 Nc1ccccc1Nc2c(N)c(=O)oc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J23 mock treatment -0.048 0.0814 0.12 -0.016 0.0554 0.11 0.171 0.221061435973353 0.425770334461221 0.3758 0.8268 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 J24 mock treatment 0.031 0.16 0.23 -0.032 0.0394 0.08 0.183 0.233061435973353 0.448882660638956 0.4358 0.8554 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K01 compound treatment -1.327 -1.2 -1.7 -1.477 -1.41 -2.78 -1.343 -1.29293856402665 -2.49023481829637 -4.0231 -0.9815 3020366 ChemDiv3_001277 Oc1ccccc1N2C(=O)/C(=C/c3ccc(Br)cc3)/C=C2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K02 compound treatment -0.481 -0.352 -0.5 0.111 0.182 0.36 -0.414 -0.363938564026647 -0.700955566703369 -0.4853 -0.52 3119062 ChemDiv3_001278 CCOC(=O)c1cnn(c1N)c2nc(C)cc(C)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K03 compound treatment -0.673 -0.544 -0.77 -0.557 -0.486 -0.96 -0.622 -0.571938564026647 -1.10156922045078 -1.6357 -0.99 1164643 ChemDiv3_001279 Cc1nn(c(C)c1Sc2n[nH]c(=O)[nH]c2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K04 compound treatment -1.037 -0.908 -1.29 -0.672 -0.601 -1.19 -0.5 -0.449938564026647 -0.866593904310471 -1.93 -0.9872 3119063 ChemDiv3_001280 Cc1ccc2nc(Nc3ccccc3)nc(c4ccccc4)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K05 compound treatment -0.278 -0.149 -0.21 0.213 0.284 0.56 -0.04 0.010061435973353 0.0193785991693777 0.2135 0.3556 1371214 ChemDiv3_001281 CCOC(=O)c1cnn(c1NC(=O)c2ccccc2F)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K06 compound treatment -0.955 -0.826 -1.17 -0.875 -0.804 -1.59 -1.297 -1.24693856402665 -2.40163756794838 -2.9803 -0.9588 3020371 ChemDiv3_001282 COC(=O)C(C)Sc1nnc(o1)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K07 compound treatment -0.225 -0.0956 -0.14 -0.198 -0.127 -0.25 -0.062 -0.011938564026647 -0.0229939988231368 -0.236 -0.827 3119064 ChemDiv3_001283 Cc1nc(cs1)c2c(oc3cc(O)ccc3c2=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K08 compound treatment -0.132 -0.00259 0.0 -0.328 -0.257 -0.51 -0.027 0.023061435973353 0.0444169525285909 -0.269 -0.5289 3020374 ChemDiv3_001284 Brc1ccc(cc1)n2c(nc(=S)c3CCCCc32)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K09 compound treatment -0.099 0.0304 0.04 -0.197 -0.126 -0.25 -0.382 -0.331938564026647 -0.639322696896075 -0.4873 -0.7092 3119065 ChemDiv3_001285 CSc1nnc(c(=O)n1/N=C/c2c(O)ccc3ccccc23)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K10 compound treatment -0.318 -0.189 -0.27 -0.203 -0.132 -0.26 -0.565 -0.514938564026647 -0.991785671106536 -0.8774 -0.8279 3020376 ChemDiv3_001286 CCN(CC)C(=O)[n+]1ccc(OC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K11 compound treatment -0.868 -0.739 -1.05 -1.808 -1.74 -3.43 -0.333 -0.282938564026647 -0.544947365003656 -2.9006 -0.7997 1516068 ChemDiv3_001287 CCCOC(=O)C1=C(C)N(CC)C(=O)NC1c2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K12 compound treatment -0.113 0.0164 0.02 2.056 2.13 2.8 0.278 0.328061435973353 0.63185524287936 1.9964 0.6949 3119198 ChemDiv3_001288 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K13 compound treatment -1.536 -1.41 -2.0 -1.197 -1.13 -2.22 -1.03 -0.979938564026647 -1.88738831049377 -3.5274 -0.9977 3119199 ChemDiv3_001289 Cc1ccc(/C=N/c2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K14 compound treatment -0.394 -0.265 -0.38 -0.365 -0.294 -0.58 -0.149 -0.098938564026647 -0.190558363611717 -0.6619 -0.9234 3020408 ChemDiv3_001290 COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)/c(=O)n2C1c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K15 compound treatment 0.649 0.778 1.11 -0.108 -0.0366 -0.07 0.182 0.232061435973353 0.446956633457479 0.8553 0.7153 1548396 ChemDiv3_001291 CC(C)(C)C(O)Cn1c(=N)n(CCN2CCCCC2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K16 compound treatment -0.322 -0.193 -0.27 -0.475 -0.404 -0.8 -0.479 -0.428938564026647 -0.826147333499434 -1.0951 -0.9281 3020412 ChemDiv3_001292 CC1=NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K17 compound treatment -0.167 -0.0376 -0.05 -0.016 0.0554 0.11 0.029 0.079061435973353 0.152274474691355 0.1203 0.6167 3119200 ChemDiv3_001293 Brc1cccc(c1)C2CC(=O)c3c(N2)ccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K18 compound treatment -0.691 -0.562 -0.8 -0.871 -0.8 -1.58 -0.683 -0.632938564026647 -1.21905687852093 -2.0763 -0.9664 1559376 ChemDiv3_001294 CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K19 compound treatment -1.087 -0.958 -1.36 -0.338 -0.267 -0.53 -0.562 -0.511938564026647 -0.986007589562103 -1.6592 -0.9419 3119201 ChemDiv3_001295 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(OC)cc3)/c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K20 compound treatment -0.681 -0.552 -0.78 -1.182 -1.11 -2.19 -0.986 -0.935938564026647 -1.80264311450875 -2.7596 -0.937 1381466 ChemDiv3_001296 COc1ccc(cc1)n2c(nc3cc4OCOc4cc23)c5ccc(Br)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K21 compound treatment 0.289 0.418 0.59 -0.1 -0.0286 -0.06 -0.091 -0.040938564026647 -0.0788487870859968 0.2654 0.4403 1048818 ChemDiv3_001297 O=C(Oc1ccccc1)C(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K22 compound treatment -0.881 -0.752 -1.07 -1.213 -1.14 -2.25 -0.43 -0.379938564026647 -0.731772001607016 -2.3408 -0.9004 1302006 ChemDiv3_001298 CCc1nc(C)cn1S(=O)(=O)c2cc(OC)ccc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K23 mock treatment 0.333 0.462 0.66 0.267 0.338 0.67 0.111 0.161061435973353 0.310208703572545 0.9445 0.9565 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 K24 mock treatment 0.365 0.494 0.7 -0.042 0.0294 0.06 0.084 0.134061435973353 0.258205969672641 0.5885 0.7835 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L01 compound treatment -0.435 -0.306 -0.43 0.013 0.0844 0.17 -0.469 -0.418938564026647 -0.806887061684655 -0.6204 -0.6661 3119202 ChemDiv3_001299 CN1/C(=C(\C#N)/C(=O)c2ccccc2NS(=O)(=O)c3ccc(C)cc3)/Nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L02 compound treatment 0.318 0.447 0.64 -0.351 -0.28 -0.55 -0.375 -0.324938564026647 -0.625840506625729 -0.3128 -0.2981 1913204 ChemDiv3_001300 OC(=O)/C=C/c1ccc(o1)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L03 compound treatment -1.273 -1.14 -1.63 -0.959 -0.888 -1.75 -0.759 -0.708938564026647 -1.36543494431326 -2.7389 -0.9948 1267306 ChemDiv3_001301 Clc1ccc(OCC(=O)NCc2n[nH]c(=S)n2c3cccc(Cl)c3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L04 compound treatment -1.647 -1.52 -2.16 -0.635 -0.564 -1.11 -1.186 -1.13593856402665 -2.18784855080433 -3.1513 -0.9643 1204085 ChemDiv3_001302 O=C1CC(CC(=C1)NC2CCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L05 compound treatment -0.099 0.0304 0.04 -1.093 -1.02 -2.02 -0.486 -0.435938564026647 -0.83962952376978 -1.6244 -0.7433 3119203 ChemDiv3_001303 Fc1ccccc1N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L06 compound treatment -0.141 -0.0116 -0.02 -0.141 -0.0696 -0.14 -0.27 -0.219938564026647 -0.423607652570547 -0.3334 -0.7481 3119204 ChemDiv3_001304 O=C/1N\C(=N\S(=O)(=O)c2ccccc2)\S\C1=C/3\C(=O)Nc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L07 compound treatment 0.156 0.285 0.41 -0.321 -0.25 -0.49 0.178 0.228061435973353 0.439252524731567 0.2034 0.2625 3020464 ChemDiv3_001305 CC1(C)CC(=O)C(=CNCc2ccc(F)cc2)C(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L08 compound treatment -0.893 -0.764 -1.09 -0.302 -0.231 -0.46 -0.258 -0.207938564026647 -0.400495326392811 -1.1209 -0.9014 1301856 ChemDiv3_001306 OC(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L09 compound treatment 0.594 0.723 1.03 -0.942 -0.871 -1.72 -1.558 -1.50793856402665 -2.90433066231412 -2.0754 -0.5882 1358651 ChemDiv3_001307 OC1(N(CCc2ccccc2)C(=O)c3ccccc31)c4ncc[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L10 compound treatment -0.246 -0.117 -0.17 -0.22 -0.149 -0.29 0.0 0.050061435973353 0.096419686428495 -0.2094 -0.5975 3119205 ChemDiv3_001308 O=C(CN1C2=NCCCN2c3ccccc13)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L11 compound treatment -0.877 -0.748 -1.06 -1.442 -1.37 -2.71 0.083 0.133061435973353 0.256279942491163 -2.0281 -0.6949 1633574 ChemDiv3_001309 CC1=C(C)CC(C(C1)C(=O)O)C(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L12 compound treatment -0.056 0.0734 0.1 0.515 0.586 1.16 0.222 0.272061435973353 0.523997720716596 1.0313 0.8087 1136469 ChemDiv3_001310 Sc1nc2sc3CCCc3c2c(=O)n1Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L13 compound treatment -0.667 -0.538 -0.76 -0.084 -0.0126 -0.02 -0.631 -0.580938564026647 -1.11890346508408 -1.1016 -0.8128 1155907 ChemDiv3_001311 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L14 compound treatment -1.348 -1.22 -1.73 -0.5 -0.429 -0.85 -0.25 -0.199938564026647 -0.385087108940988 -1.7112 -0.8703 1677666 ChemDiv3_001312 CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L15 compound treatment -0.381 -0.252 -0.36 0.487 0.558 1.1 0.63 0.680061435973353 1.30981681075959 1.1863 0.6782 3119206 ChemDiv3_001313 COc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L16 compound treatment -0.564 -0.435 -0.62 -0.245 -0.174 -0.34 -0.067 -0.016938564026647 -0.0326241347305264 -0.5734 -0.8107 3020469 ChemDiv3_001314 CCCOC(=O)Nc1cccc(c1)C(=O)OCCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L17 compound treatment 0.072 0.201 0.29 0.287 0.358 0.71 0.833 0.883061435973353 1.70080032859961 1.5559 0.8346 3119207 ChemDiv3_001315 Cc1ccc(cc1)c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L18 compound treatment -0.462 -0.333 -0.47 -0.531 -0.46 -0.91 -0.519 -0.468938564026647 -0.903188420758552 -1.3184 -0.966 1128259 ChemDiv3_001316 CCOc1ccc(NC(=O)C2c3ccccc3Oc4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L19 compound treatment -0.391 -0.262 -0.37 0.277 0.348 0.69 0.038 0.088061435973353 0.169608719324656 0.2804 0.3504 3119208 ChemDiv3_001317 CN/1C(=O)CC(S\C1=N\c2ccc(I)cc2)C(=O)NCCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L20 compound treatment -0.405 -0.276 -0.39 -0.188 -0.117 -0.23 0.18 0.230061435973353 0.443104579094523 -0.1033 -0.1627 1229602 ChemDiv3_001318 Cc1ccc(cc1C(=O)Oc2cccc3cccnc23)S(=O)(=O)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L21 compound treatment 0.276 0.405 0.58 0.015 0.0864 0.17 -0.455 -0.404938564026647 -0.779922681143964 -0.019 -0.0193 1681096 ChemDiv3_001319 COc1cccc(C(O)c2nccn2C)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L22 compound treatment -0.766 -0.637 -0.91 -0.117 -0.0456 -0.09 0.397 0.447061435973353 0.861052477475234 -0.0774 -0.0618 1212845 ChemDiv3_001320 CCn1c(C)nc2c(=O)oc3ccccc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L23 mock treatment -0.016 0.113 0.16 0.033 0.104 0.21 -0.18 -0.129938564026647 -0.250265206237533 0.0677 0.1868 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 L24 mock treatment -0.237 -0.108 -0.15 -0.029 0.0424 0.08 0.063 0.113061435973353 0.217759398861605 0.0858 0.3075 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M01 compound treatment -0.862 -0.733 -1.04 -0.571 -0.5 -0.99 -0.75 -0.699938564026647 -1.34810069967995 -1.9492 -0.9902 3119209 ChemDiv3_001321 O=C/1N(C2CCCCC2)C(=S)S\C1=C/c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M02 compound treatment 0.742 0.871 1.24 0.429 0.5 0.99 0.37 0.420061435973353 0.80904974357533 1.7529 0.9852 3119210 ChemDiv3_001322 COC(=O)CN1C(c2ccccc2)c3cc(C)ccc3N=C1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M03 compound treatment -0.569 -0.44 -0.63 -0.063 0.00844 0.02 -0.934 -0.883938564026647 -1.70248970107189 -1.3342 -0.7356 3020541 ChemDiv3_001323 Clc1ccc(/C=C/2\SC(=O)N(Cc3ccccc3)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M04 compound treatment -1.664 -1.53 -2.18 -2.357 -2.29 -4.51 -0.26 -0.209938564026647 -0.404347380755767 -4.0987 -0.815 3119211 ChemDiv3_001324 NNc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M05 compound treatment -2.408 -2.28 -3.24 -2.437 -2.37 -4.67 -3.375 -3.32493856402665 -6.40392205105953 -8.2644 -0.9652 3020543 ChemDiv3_001325 CC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M06 compound treatment -1.154 -1.02 -1.46 -0.4 -0.329 -0.65 -0.571 -0.520938564026647 -1.0033418341954 -1.7949 -0.9527 1584812 ChemDiv3_001326 CC(C(Cc1cc(C)cc(C)c1)C(=O)O)C(=O)NCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M07 compound treatment -0.839 -0.71 -1.01 -0.17 -0.0986 -0.19 -0.671 -0.620938564026647 -1.1959445523432 -1.3853 -0.8786 1680758 ChemDiv3_001327 CCOC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3csc(C)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M08 compound treatment -0.349 -0.22 -0.31 -0.057 0.0144 0.03 -0.253 -0.202938564026647 -0.390865190485422 -0.3895 -0.7773 3020614 ChemDiv3_001328 Cn1/c(=N/C(=O)c2ccc(F)cc2)/sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M09 compound treatment 0.065 0.194 0.28 0.015 0.0864 0.17 0.235 0.285061435973353 0.549036074075809 0.5751 0.9015 1701030 ChemDiv3_001329 C1OC(OCC12COC(OC2)c3cccnc3)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M10 compound treatment -1.386 -1.26 -1.79 -0.478 -0.407 -0.8 -0.744 -0.693938564026647 -1.33654453659109 -2.2666 -0.9559 1243322 ChemDiv3_001330 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C4OC(C)(C=C4)C3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M11 compound treatment 0.576 0.705 1.0 -1.286 -1.21 -2.4 -1.62 -1.56993856402665 -3.02374434756575 -2.5513 -0.6398 3119212 ChemDiv3_001331 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2cccc(C#N)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M12 compound treatment 0.0 0.129 0.18 -0.867 -0.796 -1.57 -0.197 -0.146938564026647 -0.283007668322658 -0.9641 -0.6 1297939 ChemDiv3_001332 OC(=O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M13 compound treatment -0.815 -0.686 -0.97 -0.259 -0.188 -0.37 -0.254 -0.203938564026647 -0.3927912176669 -1.0034 -0.9005 1112646 ChemDiv3_001333 Clc1ccc(cc1)C(=O)Nc2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M14 compound treatment -0.897 -0.768 -1.09 -0.65 -0.579 -1.14 -0.635 -0.584938564026647 -1.12660757380999 -1.9401 -0.9998 1527595 ChemDiv3_001334 O=C1CSC(N1C2CCCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M15 compound treatment 0.16 0.289 0.41 0.115 0.186 0.37 -0.114 -0.063938564026647 -0.123147412259989 0.379 0.67 1359293 ChemDiv3_001335 CCCn1c(=N)n(CC(O)c2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M16 compound treatment -0.27 -0.141 -0.2 -0.078 -0.00656 -0.01 -0.278 -0.227938564026647 -0.43901587002237 -0.3764 -0.7799 1703127 ChemDiv3_001336 Cc1nn(C(CC(=O)O)C(=O)O)c(C)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M17 compound treatment -1.64 -1.51 -2.15 -1.243 -1.17 -2.31 -1.634 -1.58393856402665 -3.05070872810645 -4.3369 -0.9879 3119213 ChemDiv3_001337 Cc1ccccc1C2CC(=O)c3c(N2)ccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M18 compound treatment -0.406 -0.277 -0.39 -0.042 0.0294 0.06 -0.371 -0.320938564026647 -0.618136397899818 -0.5504 -0.7489 3020623 ChemDiv3_001338 CCCCN1C(=O)/C(=C\2/Sc3ccc(OC)cc3N2C)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M19 compound treatment -0.017 0.112 0.16 0.0 0.0714 0.14 -0.618 -0.567938564026647 -1.09386511172487 -0.4578 -0.4108 1127450 ChemDiv3_001339 COC(=O)c1c(NC(=O)c2c(C)onc2c3ccccc3Cl)sc4CCCCc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M20 compound treatment 0.203 0.332 0.47 -0.137 -0.0656 -0.13 -0.446 -0.395938564026647 -0.762588436510663 -0.2422 -0.2671 1635195 ChemDiv3_001340 COc1ccc(NC(=O)Nc2c(SC)nsc2SC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M21 compound treatment 0.009 0.138 0.2 0.852 0.923 1.82 0.463 0.513061435973353 0.988170271452777 1.7368 0.8337 3119214 ChemDiv3_001341 Nc1ccc(cc1)C(=O)OCCCc2nc3cc4ccccc4cc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M22 compound treatment -0.703 -0.574 -0.82 -0.155 -0.0836 -0.16 -0.146 -0.095938564026647 -0.184780282067283 -0.6728 -0.7894 1632781 ChemDiv3_001342 Cc1ccc(c(C)c1)S(=O)(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M23 mock treatment -1.606 -1.48 -2.1 -0.089 -0.0176 -0.03 0.0 0.050061435973353 0.096419686428495 -1.1764 -0.5597 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 M24 mock treatment -0.538 -0.409 -0.58 -0.188 -0.117 -0.23 0.239 0.289061435973353 0.556740182801721 -0.1468 -0.1755 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N01 compound treatment -0.758 -0.629 -0.89 -0.203 -0.132 -0.26 -0.181 -0.130938564026647 -0.252191233419011 -0.8116 -0.8416 1638529 ChemDiv3_001343 COC(=O)C1=C(CCS1)NC(=O)c2ccccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N02 compound treatment -1.326 -1.2 -1.7 -1.059 -0.988 -1.95 -1.987 -1.93693856402665 -3.73059632316816 -4.2619 -0.9387 1175429 ChemDiv3_001344 Cc1c(oc2ccccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N03 compound treatment -1.433 -1.3 -1.85 -0.379 -0.308 -0.61 -0.944 -0.893938564026647 -1.72174997288667 -2.4147 -0.9282 3119343 ChemDiv3_001345 CCOc1cccc(c1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N04 compound treatment -2.623 -2.49 -3.55 -2.431 -2.36 -4.66 -2.928 -2.87793856402665 -5.54298790093889 -7.937 -0.9845 3020687 ChemDiv3_001346 N/C(=N\O)/CSc1nc2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N05 compound treatment -0.424 -0.295 -0.42 -0.222 -0.151 -0.3 -0.471 -0.420938564026647 -0.810739116047611 -0.8815 -0.9185 1691239 ChemDiv3_001347 CCOC(=O)C1CCCN(Cc2ccccc2)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N06 compound treatment 1.722 1.85 1.96 1.145 1.22 2.25 1.227 1.27706143597335 2.21890339208866 3.7099 0.9982 1225871 ChemDiv3_001348 COc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c3ccc(OC)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N07 compound treatment -0.377 -0.248 -0.35 -0.184 -0.113 -0.22 -0.535 -0.484938564026647 -0.934004855662198 -0.8708 -0.8516 3119344 ChemDiv3_001349 CCOC(=O)c1sc2nc[nH]c(=O)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N08 compound treatment -0.986 -0.857 -1.22 -0.458 -0.387 -0.76 -0.836 -0.785938564026647 -1.51373903728706 -2.0178 -0.9666 1528087 ChemDiv3_001350 Cc1cc(C)nc(Nc2ncc(O)n2c3ccc(Cl)c(Cl)c3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N09 compound treatment 0.054 0.183 0.26 0.034 0.105 0.21 -0.171 -0.120938564026647 -0.232930961604231 0.1363 0.3349 1141041 ChemDiv3_001351 OC(=O)CCP(=O)(O)CN1CCCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N10 compound treatment -0.17 -0.0406 -0.06 -1.069 -0.998 -1.97 -0.628 -0.577938564026647 -1.11312538353965 -1.8132 -0.8012 1699621 ChemDiv3_001352 Clc1ccc(cc1Cl)C(=O)Cn2c(=N)n(Cc3ccccc3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N11 compound treatment -0.297 -0.168 -0.24 -0.5 -0.429 -0.85 -0.107 -0.056938564026647 -0.109665221989644 -0.6894 -0.7782 3020690 ChemDiv3_001353 CCC1C(=O)NC(=NC1=O)SCC(=O)Nc2ccc(Br)cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N12 compound treatment -0.651 -0.522 -0.74 0.081 0.152 0.3 0.171 0.221061435973353 0.425770334461221 -0.0086 -0.0094 1287141 ChemDiv3_001354 CC(=O)Nc1ccc(cc1)C(=O)CSc2nc(C)cc(O)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N13 compound treatment -0.952 -0.823 -1.17 -0.641 -0.57 -1.12 -0.676 -0.625938564026647 -1.20557468825059 -2.0206 -0.9996 1716124 ChemDiv3_001355 Cc1cc(OC(=O)C2COc3ccccc3O2)cc(C)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N14 compound treatment -0.025 0.104 0.15 -0.444 -0.373 -0.74 -0.394 -0.343938564026647 -0.66243502307381 -0.7215 -0.7207 3119345 ChemDiv3_001356 CCN1OCN(C1=N)c2nc(nc(n2)N(C)C)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N15 compound treatment -1.35 -1.22 -1.74 -0.421 -0.35 -0.69 -0.75 -0.699938564026647 -1.34810069967995 -2.1788 -0.9459 3119346 ChemDiv3_001357 COc1ccc(cc1)c2cc3cc(OC)c(OC)cc3c(Cc4ccccc4)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N16 compound treatment -0.702 -0.573 -0.81 -0.293 -0.222 -0.44 -0.464 -0.413938564026647 -0.797256925777265 -1.1829 -0.9691 1442772 ChemDiv3_001358 CCOC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N17 compound treatment -0.524 -0.395 -0.56 0.0 0.0714 0.14 0.059 0.109061435973353 0.210055290135693 -0.1212 -0.1969 3119347 ChemDiv3_001359 Cc1cc(C)c2cccc(NC(=S)NC(=O)/C=C/c3ccccc3)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N18 compound treatment 0.418 0.547 0.78 0.016 0.0874 0.17 -0.021 0.029061435973353 0.0559731156174584 0.5813 0.7274 1476763 ChemDiv3_001360 CC1CC(C)CN(C1)C(=O)C2c3ccccc3Oc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N19 compound treatment -1.136 -1.01 -1.43 -1.302 -1.23 -2.43 -1.922 -1.87193856402665 -3.60540455637209 -4.3107 -0.9418 1211865 ChemDiv3_001361 COc1ccc(cc1)N2C(=O)CC(SCC(=O)O)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N20 compound treatment -0.208 -0.0786 -0.11 0.298 0.369 0.73 -0.373 -0.322938564026647 -0.621988452262774 -0.0025 -0.0026 1518987 ChemDiv3_001362 O=C(N1CCCc2ccccc12)c3cccc(c3)S(=O)(=O)NC4CCCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N21 compound treatment -0.058 0.0714 0.1 -0.194 -0.123 -0.24 0.024 0.074061435973353 0.142644338783965 0.0013 0.0042 1331290 ChemDiv3_001363 CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N22 compound treatment -0.095 0.0344 0.05 -0.12 -0.0486 -0.1 -0.449 -0.398938564026647 -0.768366518055096 -0.4707 -0.6067 1486835 ChemDiv3_001364 Cc1nc2c(=O)oc3ccccc3c2n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N23 mock treatment -0.155 -0.0256 -0.04 0.111 0.182 0.36 -0.108 -0.057938564026647 -0.111591249171122 0.1225 0.3234 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 N24 mock treatment 0.123 0.252 0.36 0.0 0.0714 0.14 0.043 0.093061435973353 0.179238855232046 0.3921 0.9222 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O01 compound treatment -0.207 -0.0776 -0.11 -0.157 -0.0856 -0.17 -0.101 -0.050938564026647 -0.0981090589007761 -0.2179 -0.9711 1423808 ChemDiv3_001365 CCOc1ccc(cc1Br)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O02 compound treatment -0.548 -0.419 -0.6 -0.375 -0.304 -0.6 -0.439 -0.388938564026647 -0.749106246240317 -1.1222 -0.9939 3119348 ChemDiv3_001366 CCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccccc4)ccc1c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O03 compound treatment -0.724 -0.595 -0.85 -0.657 -0.586 -1.16 -0.058 -0.00793856402664701 -0.015289890097225 -1.1644 -0.8129 3020430 ChemDiv3_001367 Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O04 compound treatment 0.907 1.04 1.47 0.94 1.01 2.0 0.169 0.219061435973353 0.421918280098265 2.2474 0.8927 1324540 ChemDiv3_001368 CCOc1ccc(NC(=O)NC2(CC3CC4CC(C3)C2)C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O05 compound treatment -0.041 0.0884 0.13 0.262 0.333 0.66 0.591 0.641061435973353 1.23470175068195 1.1655 0.8296 1278554 ChemDiv3_001369 Clc1cccc(c1)C(=O)NCC(=O)Nc2ccc(Br)cc2C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O06 compound treatment -0.133 -0.00359 -0.01 -0.017 0.0544 0.11 -0.25 -0.199938564026647 -0.385087108940988 -0.1632 -0.4082 1711492 ChemDiv3_001370 CN1N=C(C(NC(=O)C)C1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O07 compound treatment 0.063 0.192 0.27 0.506 0.577 1.14 0.209 0.259061435973353 0.498959367357383 1.1043 0.8666 1278126 ChemDiv3_001371 CC(C)Oc1ccc2c(=O)c(c(C)oc2c1)c3ccc4OCCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O08 compound treatment -2.569 -2.44 -3.47 -1.757 -1.69 -3.33 -2.551 -2.50093856402665 -4.81687565352171 -6.7051 -0.9853 3021156 ChemDiv3_001372 N(=c/1\scc(c2cccs2)n1c3ccccc3)\c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O09 compound treatment -0.48 -0.351 -0.5 -0.129 -0.0576 -0.11 -0.384 -0.333938564026647 -0.643174751259031 -0.7247 -0.8821 3021157 ChemDiv3_001373 FC(F)(F)c1ccccc1/C=C/2\N=C(OC2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O10 compound treatment 0.479 0.608 0.87 0.19 0.261 0.52 0.697 0.747061435973353 1.43886063191861 1.6282 0.927 3021158 ChemDiv3_001374 COc1ccccc1NC(=O)/C=C\c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O11 compound treatment -0.373 -0.244 -0.35 -0.974 -0.903 -1.78 0.293 0.343061435973353 0.660745650601529 -0.8474 -0.4386 3119349 ChemDiv3_001375 CCCCn1c(Cc2ccccc2)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O12 compound treatment -0.17 -0.0406 -0.06 -0.829 -0.758 -1.5 0.028 0.078061435973353 0.150348447509877 -0.8101 -0.5385 1533954 ChemDiv3_001376 OC(=O)c1cc(NC(=O)c2cccs2)cc(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O13 compound treatment -1.0 -0.871 -1.24 -0.625 -0.554 -1.09 -0.62 -0.569938564026647 -1.09771716608782 -1.9795 -0.9983 1377349 ChemDiv3_001377 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O14 compound treatment -0.417 -0.288 -0.41 -0.132 -0.0606 -0.12 -0.431 -0.380938564026647 -0.733698028788494 -0.7287 -0.8589 3119350 ChemDiv3_001378 CCOC(=O)CC/1=NN(C(=O)\C1=C/c2cc(OC)c(OC)cc2OC)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O15 compound treatment -1.333 -1.2 -1.71 -1.045 -0.974 -1.92 -0.969 -0.918938564026647 -1.76990065242362 -3.1197 -0.9988 3021159 ChemDiv3_001379 CCn1c(/C=N/c2ccccc2)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O16 compound treatment 0.106 0.235 0.33 -0.232 -0.161 -0.32 -0.27 -0.219938564026647 -0.423607652570547 -0.2344 -0.3743 1912932 ChemDiv3_001380 CCOC(=O)C1CNN=C1C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O17 compound treatment -0.714 -0.585 -0.83 -0.413 -0.342 -0.67 -0.508 -0.457938564026647 -0.882002121762294 -1.3785 -0.9939 1144944 ChemDiv3_001381 CCOC(=O)c1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O18 compound treatment -0.58 -0.451 -0.64 -0.091 -0.0196 -0.04 -0.325 -0.274938564026647 -0.529539147551833 -0.6979 -0.8388 3021160 ChemDiv3_001382 CCN1/C(=C\C(=S)CC)/Sc2ccc(Cl)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O19 compound treatment -0.833 -0.704 -1.0 -0.288 -0.217 -0.43 -0.552 -0.501938564026647 -0.966747317747323 -1.3826 -0.95 1434944 ChemDiv3_001383 Brc1ccc(OCC(=O)NCC2CCCO2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O20 compound treatment -0.597 -0.468 -0.66 -0.836 -0.765 -1.51 -0.747 -0.696938564026647 -1.34232261813552 -2.0304 -0.9547 1002861 ChemDiv3_001384 CC(Oc1ccccc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O21 compound treatment 0.075 0.204 0.29 0.279 0.35 0.69 0.082 0.132061435973353 0.254353915309685 0.7141 0.9012 3119351 ChemDiv3_001385 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O22 compound treatment 0.261 0.39 0.56 -0.262 -0.191 -0.38 -0.174 -0.123938564026647 -0.238709043148665 -0.0346 -0.0486 3021161 ChemDiv3_001386 CCOC(=O)/C=C(\C)/Nc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O23 mock treatment 0.0 0.129 0.18 0.354 0.425 0.84 0.12 0.170061435973353 0.327542948205847 0.7803 0.848 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 O24 mock treatment -0.6 -0.471 -0.67 0.1 0.171 0.34 0.165 0.215061435973353 0.414214171372354 0.0483 0.0564 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P01 compound treatment -0.032 0.0974 0.14 0.241 0.312 0.62 -0.152 -0.101938564026647 -0.196336445156151 0.3228 0.4875 1607061 ChemDiv3_001387 COC(=O)C1=C(CCS1)NC(=O)c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P02 compound treatment -0.937 -0.808 -1.15 -0.276 -0.205 -0.4 -0.357 -0.306938564026647 -0.591172017359127 -1.2374 -0.9145 3021162 ChemDiv3_001388 CN1CNC(=NS(=O)(=O)c2ccc(NC(=O)C)cc2)NC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P03 compound treatment -0.571 -0.442 -0.63 -0.493 -0.422 -0.83 -0.429 -0.378938564026647 -0.729845974425538 -1.2644 -0.9935 1145842 ChemDiv3_001389 CCCCn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P04 compound treatment -0.862 -0.733 -1.04 -1.09 -1.02 -2.01 -0.883 -0.832938564026647 -1.60426231481652 -2.6887 -0.9687 1326168 ChemDiv3_001390 CCOC(=O)c1[nH]c(C(=O)O)c(CC)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P05 compound treatment -0.701 -0.572 -0.81 -0.701 -0.63 -1.24 -0.423 -0.372938564026647 -0.71828981133667 -1.6016 -0.9708 3119352 ChemDiv3_001391 CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P06 compound treatment -0.029 0.1 0.14 -2.883 -2.81 -5.55 -1.932 -1.88193856402665 -3.62466482818687 -5.2154 -0.7865 1659137 ChemDiv3_001392 CC(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P07 compound treatment 0.685 0.814 1.16 -0.529 -0.458 -0.9 0.141 0.191061435973353 0.367989519016883 0.3594 0.2373 1602384 ChemDiv3_001393 COc1cccc(c1)C(=O)NCCN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P08 compound treatment -0.528 -0.399 -0.57 -0.412 -0.341 -0.67 -0.116 -0.065938564026647 -0.126999466622945 -0.7887 -0.8877 3119353 ChemDiv3_001394 CC1CCc2sc(NC(=O)C(Cc3ccccc3)Cc4ccccc4)c(C#N)c2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P09 compound treatment 0.483 0.612 0.87 -2.507 -2.44 -4.81 -3.851 -3.80093856402665 -7.32071098944302 -6.5004 -0.7385 3021163 ChemDiv3_001395 CCOC(=O)c1c(oc2ccc(O)c(CSCC(=O)Nc3ccccc3)c12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P10 compound treatment -0.411 -0.282 -0.4 -0.117 -0.0456 -0.09 -0.165 -0.114938564026647 -0.221374798515364 -0.4109 -0.8813 3119354 ChemDiv3_001396 Cc1cccc(c1)C(=O)Sc2cccccc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P11 compound treatment 1.75 1.88 1.97 2.415 2.49 2.95 0.924 0.974061435973353 1.8760688021141 3.9229 0.9779 1345562 ChemDiv3_001397 Cc1ccc(o1)c2c(C#N)c(SCC=C)nc3CCCCc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P12 compound treatment -0.09 0.0394 0.06 -0.781 -0.71 -1.4 -0.885 -0.834938564026647 -1.60811436917947 -1.705 -0.7991 1469960 ChemDiv3_001398 CN1CCN(CCCN2C(SCC2=O)c3ccc(F)cc3)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P13 compound treatment -1.328 -1.2 -1.7 -1.117 -1.05 -2.06 -0.884 -0.833938564026647 -1.606188341998 -3.1031 -0.994 1737932 ChemDiv3_001399 COC(=O)COc1ccc2c(=O)c(coc2c1)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P14 compound treatment -1.32 -1.19 -1.69 -0.56 -0.489 -0.96 -0.404 -0.353938564026647 -0.681695294888589 -1.9278 -0.934 1405560 ChemDiv3_001400 Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P15 compound treatment -0.512 -0.383 -0.54 -0.618 -0.547 -1.08 -0.4 -0.349938564026647 -0.673991186162678 -1.3263 -0.9584 1711766 ChemDiv3_001401 CCc1nc(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P16 compound treatment -1.691 -1.56 -2.22 -0.222 -0.151 -0.3 -0.803 -0.752938564026647 -1.45018014029828 -2.2908 -0.8584 3021164 ChemDiv3_001402 Cc1ccc(cc1C)S(=O)(=O)N2CCCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P17 compound treatment 1.638 1.77 1.93 0.175 0.246 0.49 0.099 0.149061435973353 0.28709637739481 1.5601 0.7763 1435290 ChemDiv3_001403 CC1(C)Cc2c(sc3ncn4nc(nc4c23)c5ccccc5)C(C)(C)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P18 compound treatment -0.009 0.12 0.17 -0.747 -0.676 -1.33 -0.152 -0.101938564026647 -0.196336445156151 -0.7846 -0.5773 1603940 ChemDiv3_001404 COc1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P19 compound treatment -1.626 -1.5 -2.13 -1.576 -1.5 -2.97 -3.911 -3.86093856402665 -7.4362726203317 -7.237 -0.8734 3119355 ChemDiv3_001405 CC(C)Oc1ccc(cc1)C2CC(=O)NNC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P20 compound treatment -0.61 -0.481 -0.68 -0.473 -0.402 -0.79 -0.133 -0.082938564026647 -0.15974192870807 -0.9445 -0.892 1788078 ChemDiv3_001406 Cc1ccc(cc1S(=O)(=O)N2CCCC2)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P21 compound treatment 1.067 1.2 1.65 -1.27 -1.2 -2.37 -1.145 -1.09493856402665 -2.10888143636374 -1.6324 -0.4569 3021165 ChemDiv3_001407 O=C(NN1C(=O)/C(=C\c2cccnc2)/SC1=S)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P22 compound treatment -0.306 -0.177 -0.25 0.038 0.109 0.22 0.433 0.483061435973353 0.930389456008439 0.517 0.5235 1314274 ChemDiv3_001408 COc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc(cc4)c5ccccc5)cc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P23 mock treatment -0.19 -0.0606 -0.09 -0.065 0.00644 0.01 -0.179 -0.128938564026647 -0.248339179056055 -0.1858 -0.7059 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2004 P24 mock treatment -0.016 0.113 0.16 0.288 0.359 0.71 -0.082 -0.031938564026647 -0.0615145424526954 0.4673 0.6398 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A01 compound treatment -0.594 -0.465 -0.66 -0.203 -0.132 -0.26 -0.64 -0.589938564026647 -1.13623770971738 -1.1874 -0.8863 3118959 ChemDiv3_003873 COC(=O)C(CC(C)C)N1C=C(C(C(=C1)C(=O)OC)c2ccc(Br)cc2)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A02 compound treatment 0.061 0.19 0.27 0.131 0.202 0.4 0.171 0.221061435973353 0.425770334461221 0.6329 0.9832 3023755 ChemDiv3_003874 CN(C)c1ccc(cc1)n2cccc2C=C3C(=O)N(C)C(=S)N(C)C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A03 compound treatment -0.391 -0.262 -0.37 -0.067 0.00444 0.01 -0.132 -0.081938564026647 -0.157815901526592 -0.3008 -0.7443 1344150 ChemDiv3_003875 CSc1nnc-2c(OC(C)Nc3ccccc32)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A04 compound treatment -1.406 -1.28 -1.82 -0.841 -0.77 -1.52 0.267 0.317061435973353 0.610668943883103 -1.5726 -0.6433 3118960 ChemDiv3_003876 O=C(CSc1nnc(COc2ccccc2)o1)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A05 compound treatment -0.728 -0.599 -0.85 -0.756 -0.685 -1.35 -1.085 -1.03493856402665 -1.99331980547506 -2.4226 -0.9484 3023867 ChemDiv3_003877 CCc1ccc2NC(=O)/C(=C/3\SC(=N)NC3=O)/c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A06 compound treatment -0.219 -0.0896 -0.13 -0.033 0.0384 0.08 0.13 0.180061435973353 0.346803220020626 0.1705 0.4521 1867181 ChemDiv3_003878 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CNC(C)(C)C)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A07 compound treatment -0.439 -0.31 -0.44 -0.02 0.0514 0.1 0.029 0.079061435973353 0.152274474691355 -0.1076 -0.2257 3118961 ChemDiv3_003879 CCc1ccc(/C=N/n2c(C)nnc2n3nc(C)cc3C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A08 compound treatment -0.114 0.0154 0.02 -0.333 -0.262 -0.52 -0.704 -0.653938564026647 -1.25950344933197 -1.0127 -0.7438 1292139 ChemDiv3_003880 O=C(N1c2ccccc2Sc3ccccc13)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A09 compound treatment -0.033 0.0964 0.14 0.179 0.25 0.49 0.257 0.307061435973353 0.591408672068323 0.7061 0.9018 3119097 ChemDiv3_003881 CN1C(=O)/C(=C/2\S\C(=N/c3ccc(F)cc3)\NC2=O)/c4cc(Br)cc(C)c14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A10 compound treatment 0.123 0.252 0.36 0.269 0.34 0.67 0.084 0.134061435973353 0.258205969672641 0.7444 0.9252 3023868 ChemDiv3_003882 CCCn1c(C)cc(C)c(C#N)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A11 compound treatment 0.235 0.364 0.52 -1.643 -1.57 -3.1 -2.417 -2.36693856402665 -4.55878801120367 -4.1244 -0.7446 3023869 ChemDiv3_003883 CC(Cc1ccccc1)[n+]2[cH-]/c(=N\C(=O)N)/on2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A12 compound treatment 0.358 0.487 0.69 0.975 1.05 2.07 -0.735 -0.684938564026647 -1.31921029195778 0.8314 0.3263 1249817 ChemDiv3_003884 COc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A13 compound treatment -0.741 -0.612 -0.87 0.8 0.871 1.72 0.58 0.630061435973353 1.2135154516857 1.192 0.5233 3119098 ChemDiv3_003885 Cc1ccc(Nc2nnc(c3ccc(C)c(c3)S(=O)(=O)NCC4CCCO4)c5ccccc25)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A14 compound treatment -1.918 -1.79 -2.54 -3.483 -3.41 -6.74 -3.408 -3.35793856402665 -6.4674809480483 -9.0913 -0.9393 3023870 ChemDiv3_003886 C(Cc1c[nH]c2ccccc12)NCc3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A15 compound treatment -0.757 -0.628 -0.89 -0.167 -0.0956 -0.19 -0.429 -0.378938564026647 -0.729845974425538 -1.0455 -0.895 1549146 ChemDiv3_003887 Clc1ccc(SCC(=O)Nc2ccc(cc2)c3nc4ncccc4o3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A16 compound treatment -0.695 -0.566 -0.8 -0.159 -0.0876 -0.17 0.593 0.643061435973353 1.23855380504491 0.151 0.1016 3023871 ChemDiv3_003888 CCCN(CCC)C1=C(N(CC(=O)N)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A17 compound treatment -0.163 -0.0336 -0.05 -0.61 -0.539 -1.06 -0.396 -0.345938564026647 -0.666287077436766 -1.0262 -0.8172 1118860 ChemDiv3_003889 CCN(CC)CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A18 compound treatment -0.431 -0.302 -0.43 -0.056 0.0154 0.03 -0.261 -0.210938564026647 -0.406273407937245 -0.4645 -0.7854 1173412 ChemDiv3_003890 Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A19 compound treatment -0.709 -0.58 -0.82 -0.511 -0.44 -0.87 -1.333 -1.28293856402665 -2.47097454648159 -2.4035 -0.8754 1387978 ChemDiv3_003891 CN(C)C1CS(=O)(=O)CC1N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A20 compound treatment 0.442 0.571 0.81 -0.303 -0.232 -0.46 -0.718 -0.667938564026647 -1.28646782987266 -0.5377 -0.3384 1867723 ChemDiv3_003892 COc1ccccc1COc2ccc3c4CCCCCc4c(=O)oc3c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A21 compound treatment 0.142 0.271 0.39 0.053 0.124 0.25 0.0 0.050061435973353 0.096419686428495 0.4203 0.899 1361724 ChemDiv3_003893 O=C(NCc1ccccc1)NC2CCS(=O)(=O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A22 compound treatment -1.757 -1.63 -2.31 -0.573 -0.502 -0.99 -0.757 -0.706938564026647 -1.3615828899503 -2.6939 -0.9414 1233165 ChemDiv3_003894 Cc1oc(cc1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A23 mock treatment -0.419 -0.29 -0.41 -0.746 -0.675 -1.33 -1.041 -0.990938564026647 -1.90857460949003 -2.1086 -0.8922 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 A24 mock treatment -0.204 -0.0746 -0.11 -0.869 -0.798 -1.57 0.175 0.225061435973353 0.433474443187133 -0.7202 -0.44 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B01 compound treatment -0.627 -0.498 -0.71 -0.377 -0.306 -0.6 -0.397 -0.346938564026647 -0.668213104618244 -1.1426 -0.9979 3119099 ChemDiv3_003895 CN(/N=C/c1ccccc1)C2=NS(=O)(=O)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B02 compound treatment -0.615 -0.486 -0.69 -1.167 -1.1 -2.16 -0.366 -0.315938564026647 -0.608506261992428 -1.9989 -0.8503 3119100 ChemDiv3_003896 COC(=O)C1=C(C)N/C(=C/c2cc(C)n(c2C)c3ccc(OC)c(Cl)c3)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B03 compound treatment -0.727 -0.598 -0.85 -0.153 -0.0816 -0.16 -0.753 -0.702938564026647 -1.35387878122439 -1.3652 -0.8498 3023872 ChemDiv3_003897 COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B04 compound treatment -0.571 -0.442 -0.63 -0.386 -0.315 -0.62 -0.269 -0.218938564026647 -0.421681625389069 -0.9645 -0.9856 3023873 ChemDiv3_003898 Cc1ccc(cc1)c2c[n+]([O-])c3CCCc3[n+]2[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B05 compound treatment -0.744 -0.615 -0.87 -0.278 -0.207 -0.41 -0.461 -0.410938564026647 -0.791478844232832 -1.1969 -0.9594 3119101 ChemDiv3_003899 O=c1[nH]c2ccccc2n1CCCSc3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B06 compound treatment 0.355 0.484 0.69 -0.036 0.0354 0.07 0.025 0.075061435973353 0.144570365965443 0.5215 0.7374 1401658 ChemDiv3_003900 CCOC(=O)c1c(oc2ccc(OCC(=O)OC)cc12)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B07 compound treatment -0.41 -0.281 -0.4 -0.074 -0.00256 -0.01 -0.323 -0.272938564026647 -0.525687093188877 -0.5368 -0.8133 1210771 ChemDiv3_003901 CC(C)Cn1c(=O)c2cc3c(=O)n(CC(C)C)c(=O)c3c(C(=O)c4ccc(Cl)cc4)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B08 compound treatment -0.256 -0.127 -0.18 -0.158 -0.0866 -0.17 -0.264 -0.213938564026647 -0.412051489481679 -0.4405 -0.9157 1511593 ChemDiv3_003902 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B09 compound treatment -0.183 -0.0536 -0.08 -0.578 -0.507 -1.0 -0.614 -0.563938564026647 -1.08616100299896 -1.2486 -0.8445 1487762 ChemDiv3_003903 O=S(=O)(NCCC1(CC2CC3CC(C2)C1)C3)c4cccc5nsnc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B10 compound treatment 0.351 0.48 0.68 1.325 1.4 2.39 1.087 1.13706143597335 2.10236482726418 2.9863 0.9179 3023874 ChemDiv3_003904 COc1cc(/C=C\2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc4ccc(C)c(C)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B11 compound treatment 0.141 0.27 0.38 0.548 0.619 1.22 0.395 0.445061435973353 0.857200423112278 1.423 0.9227 3119102 ChemDiv3_003905 CN(C)/C=N/c1c(C#N)cnn1c2ncnc3sc4CCCc4c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B12 compound treatment -1.254 -1.12 -1.6 -0.413 -0.342 -0.67 0.014 0.064061435973353 0.123384066969186 -1.2413 -0.7135 3023875 ChemDiv3_003906 COc1ccc2N3C(=NC(=O)C(Cc4ccccc4)C3=O)Sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B13 compound treatment -0.415 -0.286 -0.41 -0.059 0.0124 0.02 -0.433 -0.382938564026647 -0.737550083151449 -0.6461 -0.767 1072961 ChemDiv3_003907 O=c1n(Cc2ccccc2)nc(c3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B14 compound treatment -1.617 -1.49 -2.12 -1.19 -1.12 -2.21 -0.873 -0.822938564026647 -1.58500204300174 -3.4114 -0.9904 1739914 ChemDiv3_003908 Clc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2NCCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B15 compound treatment -0.412 -0.283 -0.4 0.194 0.265 0.52 -0.714 -0.663938564026647 -1.27876372114675 -0.6677 -0.4639 3023876 ChemDiv3_003909 C(Sc1nc2ccccc2[nH]1)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B16 compound treatment -0.86 -0.731 -1.04 -0.345 -0.274 -0.54 -0.722 -0.671938564026647 -1.29417193859857 -1.6588 -0.9505 1325550 ChemDiv3_003910 NC1=C(C#N)C(c2sc3ccccc3c2O1)c4ccccc4OC(=O)c5ccccc5Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B17 compound treatment -0.442 -0.313 -0.44 -0.358 -0.287 -0.57 -0.347 -0.296938564026647 -0.571911745544347 -0.9135 -0.9939 3023877 ChemDiv3_003911 CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)/c(=O)n2C(=C(C#N)C1c4cccnc4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B18 compound treatment 0.095 0.224 0.32 0.2 0.271 0.54 1.012 1.06206143597335 2.03384703512682 1.6679 0.784 3119103 ChemDiv3_003912 COc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B19 compound treatment -0.753 -0.624 -0.89 -1.893 -1.82 -3.6 -2.078 -2.02793856402665 -3.90586479668265 -4.8435 -0.8998 1408601 ChemDiv3_003913 COc1ccc(CCNc2ncnc3sc4CCCCc4c23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B20 compound treatment -0.077 0.0524 0.07 0.273 0.344 0.68 -0.027 0.023061435973353 0.0444169525285909 0.4613 0.6729 3023878 ChemDiv3_003914 N=C1NC(=O)/C(=C\c2cc3ccccc3nc2N4CCCCC4)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B21 compound treatment -0.34 -0.211 -0.3 -1.15 -1.08 -2.13 -1.562 -1.51193856402665 -2.91203477104003 -3.0837 -0.8518 1543973 ChemDiv3_003915 COc1ccc2CNCCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B22 compound treatment 0.029 0.158 0.23 -0.393 -0.322 -0.63 -0.266 -0.215938564026647 -0.415903543844635 -0.4767 -0.6021 3119104 ChemDiv3_003916 CC1CCN(CN2CC(COc3ccccc3C)OC2=O)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B23 mock treatment 0.049 0.178 0.25 -0.21 -0.139 -0.27 0.235 0.285061435973353 0.549036074075809 0.3055 0.4602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 B24 mock treatment 0.136 0.265 0.38 0.206 0.277 0.55 -0.099 -0.048938564026647 -0.0942570045378202 0.4797 0.714 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C01 compound treatment -1.0 -0.871 -1.24 -1.246 -1.17 -2.32 -0.943 -0.892938564026647 -1.71982394570519 -3.0466 -0.9698 3119105 ChemDiv3_003917 COC(=O)C1=CN(C=C(C1c2ccsc2)C(=O)OC)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C02 compound treatment -0.345 -0.216 -0.31 0.492 0.563 1.11 0.292 0.342061435973353 0.658819623420051 0.8457 0.6364 3023910 ChemDiv3_003918 Cn1c(=O)n(C)c2cc(/C=C/3\C(=O)NC(=S)N(CC=C)C3=O)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C03 compound treatment -0.825 -0.696 -0.99 -0.515 -0.444 -0.88 -0.297 -0.246938564026647 -0.475610386470451 -1.3512 -0.9624 3119106 ChemDiv3_003919 CSC1=N/C(=C\c2ccccc2C)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C04 compound treatment -0.327 -0.198 -0.28 -0.214 -0.143 -0.28 0.015 0.065061435973353 0.125310094150664 -0.2524 -0.6052 3119107 ChemDiv3_003920 COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C05 compound treatment -0.984 -0.855 -1.22 -0.406 -0.335 -0.66 0.033 0.083061435973353 0.159978583417267 -0.9905 -0.7115 3023911 ChemDiv3_003921 C=CCN1C(=O)/C(=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)/c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C06 compound treatment -0.026 0.103 0.15 -0.104 -0.0326 -0.06 -0.011 0.039061435973353 0.0752333874322378 0.0912 0.5146 1871099 ChemDiv3_003922 Cc1cccc(c1)N2C(=O)CC(Sc3nccc(C)n3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C07 compound treatment -0.154 -0.0246 -0.03 -0.071 4.38E-4 0.0 0.027 0.077061435973353 0.148422420328399 0.066 0.4329 3023912 ChemDiv3_003923 CSC1=N/C(=C\C=C\c2cccs2)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C08 compound treatment -0.406 -0.277 -0.39 -0.581 -0.51 -1.01 -0.613 -0.562938564026647 -1.08423497581748 -1.4339 -0.9369 1871152 ChemDiv3_003924 O=C(Cc1cccs1)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C09 compound treatment 0.469 0.598 0.85 0.325 0.396 0.78 0.74 0.790061435973353 1.52167980072216 1.8217 0.9532 3023913 ChemDiv3_003925 CCSC1=N/C(=C\c2ccc(C)s2)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C10 compound treatment 1.235 1.36 1.74 -0.215 -0.144 -0.28 0.239 0.289061435973353 0.556740182801721 1.1647 0.6287 3119108 ChemDiv3_003926 CCCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C11 compound treatment -0.264 -0.135 -0.19 -1.378 -1.31 -2.58 -0.057 -0.00693856402664701 -0.0133638629157471 -1.6077 -0.6215 3023914 ChemDiv3_003927 N=c1[cH-][n+](CCc2ccccc2)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C12 compound treatment 0.234 0.363 0.52 -3.786 -3.71 -7.33 -0.323 -0.272938564026647 -0.525687093188877 -4.2397 -0.5752 1216628 ChemDiv3_003928 CCOc1cc(CN2CCN(CC2)C(=O)COc3ccc(C)cc3)ccc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C13 compound treatment -1.123 -0.994 -1.41 -0.545 -0.474 -0.94 -0.014 0.036061435973353 0.069455305887804 -1.3154 -0.7758 3023915 ChemDiv3_003929 COc1ccc(cc1)c2nnc(Nc3cccc(c3)C(F)(F)F)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C14 compound treatment -2.194 -2.06 -2.94 -3.118 -3.05 -6.02 -2.42 -2.36993856402665 -4.5645660927481 -7.8031 -0.9631 3119109 ChemDiv3_003930 COc1cccc(CNCCc2c[nH]c3ccccc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C15 compound treatment 1.41 1.54 1.83 0.492 0.563 1.11 0.585 0.635061435973353 1.22314558759309 2.4056 0.9751 1485768 ChemDiv3_003931 CCC(=O)NC(c1ccco1)c2cc(Cl)c3cccnc3c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C16 compound treatment 0.167 0.296 0.42 0.203 0.274 0.54 0.209 0.259061435973353 0.498959367357383 0.8442 0.9948 1522564 ChemDiv3_003932 Cc1nc(NCCN2CCOCC2)c3sc4nc5CC(C)(C)OCc5cc4c3n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C17 compound treatment -2.77 -2.64 -3.75 -2.333 -2.26 -4.47 -1.746 -1.69593856402665 -3.26642377243197 -6.6316 -0.9918 3119239 ChemDiv3_003933 COc1ccc(cc1)C2CC(=NN2C(=O)CCN3CCOCC3)c4ccc(Br)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C18 compound treatment -0.309 -0.18 -0.26 0.203 0.274 0.54 -0.134 -0.083938564026647 -0.161667955889548 0.0721 0.1162 1139781 ChemDiv3_003934 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C19 compound treatment -1.094 -0.965 -1.37 -0.625 -0.554 -1.09 0.233 0.283061435973353 0.545184019712853 -1.1081 -0.6034 1505314 ChemDiv3_003935 O=S1(=O)CCC(C1)N2C(=S)SC3CS(=O)(=O)C=C32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C20 compound treatment -0.486 -0.357 -0.51 -0.619 -0.548 -1.08 -0.486 -0.435938564026647 -0.83962952376978 -1.4017 -0.9602 1867708 ChemDiv3_003936 COc1cc(COc2ccc3c4CCCc4c(=O)oc3c2)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C21 compound treatment -0.756 -0.627 -0.89 -0.84 -0.769 -1.52 -1.987 -1.93693856402665 -3.73059632316816 -3.5444 -0.8593 1172275 ChemDiv3_003937 CC1(CCS(=O)(=O)C1)NC(=S)Nc2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C22 compound treatment 0.769 0.898 1.28 -0.011 0.0604 0.12 -0.022 0.028061435973353 0.0540470884359805 0.8376 0.6523 1132860 ChemDiv3_003938 CN(C)C(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C23 mock treatment -0.125 0.00441 0.01 0.149 0.22 0.44 0.313 0.363061435973353 0.699266194231088 0.6586 0.7996 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 C24 mock treatment -0.59 -0.461 -0.65 -0.797 -0.726 -1.43 0.07 0.120061435973353 0.23124158913195 -1.0717 -0.6731 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D01 compound treatment -0.039 0.0904 0.13 0.098 0.169 0.33 0.082 0.132061435973353 0.254353915309685 0.4142 0.9425 3023916 ChemDiv3_003939 O=S1(=O)N=C(N(CCC#N)/N=C/c2ccccc2)c3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D02 compound treatment -0.769 -0.64 -0.91 -0.988 -0.917 -1.81 -0.286 -0.235938564026647 -0.454424087474193 -1.8322 -0.8827 3119240 ChemDiv3_003940 COC(=O)C/1=C(C)NC(=O)\C1=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D03 compound treatment -0.467 -0.338 -0.48 -0.309 -0.238 -0.47 -0.321 -0.270938564026647 -0.521835038825921 -0.8492 -0.9989 3023917 ChemDiv3_003941 CCC(C)N1C(=O)S/C(=C/c2ccc3n(C)c(=O)n(C)c3c2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D04 compound treatment -0.576 -0.447 -0.63 -0.515 -0.444 -0.88 -0.159 -0.108938564026647 -0.209818635426496 -0.9934 -0.9015 3119241 ChemDiv3_003942 [O-][n+]1cc(c2ccc(F)cc2)[n+]([O-])c3CCCc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D05 compound treatment -0.233 -0.104 -0.15 -0.66 -0.589 -1.16 0.147 0.197061435973353 0.379545682105751 -0.5369 -0.436 3119242 ChemDiv3_003943 CCC(Sc1nnnn1c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D06 compound treatment -0.187 -0.0576 -0.08 0.132 0.203 0.4 -0.063 -0.012938564026647 -0.0249200260046147 0.1703 0.4145 3023918 ChemDiv3_003944 CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D07 compound treatment 0.041 0.17 0.24 -0.098 -0.0266 -0.05 -0.398 -0.347938564026647 -0.670139131799722 -0.2773 -0.3881 3119243 ChemDiv3_003945 COc1ccccc1CC(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D08 compound treatment -0.052 0.0774 0.11 -0.607 -0.536 -1.06 0.136 0.186061435973353 0.358359383109494 -0.3401 -0.3031 3023919 ChemDiv3_003946 OC(Cn1c2ccccc2c3ccccc13)C[n+]4cccc5cccc(O)c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D09 compound treatment 0.679 0.808 1.15 -1.244 -1.17 -2.32 -0.149 -0.098938564026647 -0.190558363611717 -0.7831 -0.3021 3119244 ChemDiv3_003947 Nc1nc(SCC(=O)NCc2ccco2)c(C#N)cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D10 compound treatment -2.037 -1.91 -2.71 -1.584 -1.51 -2.99 -0.26 -0.209938564026647 -0.404347380755767 -3.5236 -0.8691 3119245 ChemDiv3_003948 COc1ccccc1N(C(=O)NCc2ccccc2)C3=NCC(C)S3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D11 compound treatment -0.478 -0.349 -0.5 -0.452 -0.381 -0.75 -0.087 -0.036938564026647 -0.071144678360085 -0.7611 -0.8428 1494926 ChemDiv3_003949 Cc1ccc(cc1)c2nnc(n3cnc4cc(C)c(C)cc34)c5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D12 compound treatment 0.183 0.312 0.44 -2.303 -2.23 -4.41 -1.984 -1.93393856402665 -3.72481824162372 -4.438 -0.7669 1647264 ChemDiv3_003950 CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c4CC(C)(C)OCc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D13 compound treatment -0.261 -0.132 -0.19 -0.032 0.0394 0.08 -0.286 -0.235938564026647 -0.454424087474193 -0.3254 -0.654 1516394 ChemDiv3_003951 Cc1nc(Oc2ccc(NC(=O)c3ccccc3)cc2)c4c5CCCc5sc4n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D14 compound treatment -0.057 0.0724 0.1 0.511 0.582 1.15 0.286 0.336061435973353 0.647263460331183 1.0971 0.8288 1736266 ChemDiv3_003952 CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(C)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D15 compound treatment -0.333 -0.204 -0.29 -0.542 -0.471 -0.93 -0.333 -0.282938564026647 -0.544947365003656 -1.0182 -0.9129 1623664 ChemDiv3_003953 C(N1CCc2ccccc2C1)n3cnc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D16 compound treatment -0.844 -0.715 -1.02 -0.779 -0.708 -1.4 -0.575 -0.524938564026647 -1.01104594292132 -1.9769 -0.9877 1684726 ChemDiv3_003954 COc1ccccc1NC(=O)COc2ccc3oc4CCCCc4c3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D17 compound treatment 0.361 0.49 0.7 -0.197 -0.126 -0.25 -0.152 -0.101938564026647 -0.196336445156151 0.1461 0.1908 1574911 ChemDiv3_003955 NC1=C(C#N)C2(C(=O)N(CC=C)c3ccccc32)c4c(O1)c5ccccc5oc4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D18 compound treatment 0.222 0.351 0.5 0.208 0.279 0.55 -0.194 -0.143938564026647 -0.277229586778224 0.447 0.5627 1249386 ChemDiv3_003956 O=C1CC(Cc2ccccc2)C(=O)N1c3nccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D19 compound treatment -0.041 0.0884 0.13 0.287 0.358 0.71 -0.203 -0.152938564026647 -0.294563831411525 0.3111 0.4005 1153670 ChemDiv3_003957 Cc1sc2nc3c4ccccc4c(NCC5CCCO5)nn3c(=O)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D20 compound treatment -0.839 -0.71 -1.01 -0.2 -0.129 -0.25 0.0 0.050061435973353 0.096419686428495 -0.6734 -0.6445 3119246 ChemDiv3_003958 CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc4ccccc4)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D21 compound treatment 0.631 0.76 1.08 -0.663 -0.592 -1.17 -0.907 -0.856938564026647 -1.65048696717199 -1.0031 -0.4375 1736305 ChemDiv3_003959 CC(C)COc1ccc2c3CCCCc3c(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D22 compound treatment -0.537 -0.408 -0.58 -0.246 -0.175 -0.34 0.366 0.416061435973353 0.801345634849418 -0.0709 -0.0677 3023957 ChemDiv3_003960 CC1CCN(CN2CC(Cn3c4ccccc4c5ccccc35)OC2=O)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D23 mock treatment -0.203 -0.0736 -0.1 -0.64 -0.569 -1.12 0.042 0.092061435973353 0.177312828050568 -0.6062 -0.5311 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 D24 mock treatment -0.159 -0.0296 -0.04 0.197 0.268 0.53 0.234 0.284061435973353 0.547110046894331 0.5976 0.7833 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E01 compound treatment -0.591 -0.462 -0.66 -0.067 0.00444 0.01 0.093 0.143061435973353 0.275540214305943 -0.2148 -0.3017 3119247 ChemDiv3_003961 COC(=O)CN1C=C(C(C(=C1)C(=O)OC)c2ccc(O)cc2)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E02 compound treatment 0.165 0.294 0.42 -0.325 -0.254 -0.5 -0.439 -0.388938564026647 -0.749106246240317 -0.4799 -0.483 3119248 ChemDiv3_003962 CCC(C)n1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E03 compound treatment -2.861 -2.73 -3.88 -1.656 -1.58 -3.13 -1.76 -1.70993856402665 -3.29338815297266 -5.9501 -0.9956 3023958 ChemDiv3_003963 O=C/1N=C(S\C1=C/c2cccs2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E04 compound treatment -0.563 -0.434 -0.62 -0.538 -0.467 -0.92 0.301 0.351061435973353 0.676153868053352 -0.4974 -0.3831 3023959 ChemDiv3_003964 O=C(CSc1nnc(COc2ccccc2)o1)NCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E05 compound treatment -0.189 -0.0596 -0.08 0.088 0.159 0.31 -0.081 -0.030938564026647 -0.0595885152712175 0.0984 0.297 3119249 ChemDiv3_003965 CN/1C(=N)NC(=O)\C1=C\c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E06 compound treatment -0.984 -0.855 -1.22 -0.686 -0.615 -1.21 -0.959 -0.908938564026647 -1.75064038060884 -2.4128 -0.9839 1871115 ChemDiv3_003966 CC(C)(CO)NC(=O)c1sc2ccccc2c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E07 compound treatment 0.571 0.7 1.0 0.739 0.81 1.6 0.735 0.785061435973353 1.51204966481477 2.3718 0.9816 3023960 ChemDiv3_003967 C(Sc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E08 compound treatment 0.015 0.144 0.21 -0.078 -0.00656 -0.01 -0.163 -0.112938564026647 -0.217522744152408 -0.0145 -0.0485 3119250 ChemDiv3_003968 Cc1ccc(SCc2cc(O)nc(SCC(=O)n3c4ccccc4c5ccccc35)n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E09 compound treatment -0.156 -0.0266 -0.04 0.018 0.0894 0.18 -0.066 -0.015938564026647 -0.0306981075490485 0.0624 0.3407 3023961 ChemDiv3_003969 CCSC1=N/C(=C\c2cccc(F)c2)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E10 compound treatment -0.851 -0.722 -1.03 -0.233 -0.162 -0.32 -0.134 -0.083938564026647 -0.161667955889548 -0.8698 -0.8006 1156555 ChemDiv3_003970 CC1CCN(CC1)C(=O)CNS(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E11 compound treatment -0.559 -0.43 -0.61 -0.889 -0.818 -1.61 -1.5 -1.44993856402665 -2.7926210857884 -2.897 -0.8824 1664682 ChemDiv3_003971 Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(N)ccc(C2=O)c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E12 compound treatment 0.06 0.189 0.27 -3.607 -3.54 -6.98 -0.507 -0.456938564026647 -0.880076094580816 -4.3831 -0.6225 1473240 ChemDiv3_003972 O=C(N1CCN(Cc2cccnc2)CC1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E13 compound treatment -1.064 -0.935 -1.33 0.034 0.105 0.21 0.0 0.050061435973353 0.096419686428495 -0.5913 -0.4385 3119251 ChemDiv3_003973 CNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc4OCOc4c3)c5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E14 compound treatment -3.381 -3.25 -4.62 -3.79 -3.72 -7.34 -3.627 -3.57693856402665 -6.88928090079196 -10.8858 -0.9826 1668191 ChemDiv3_003974 CCOc1ccc(CN(CCc2ccc3OCOc3c2)Cc4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E15 compound treatment -0.565 -0.436 -0.62 -0.318 -0.247 -0.49 -0.431 -0.380938564026647 -0.733698028788494 -1.0622 -0.9867 1243341 ChemDiv3_003975 COc1ccc2cc(C3CC(=NN3C(=O)c4ccco4)c5ccc(OC)c(OC)c5)c(Cl)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E16 compound treatment -0.901 -0.772 -1.1 -1.352 -1.28 -2.53 0.139 0.189061435973353 0.364137464653928 -1.883 -0.6773 3023962 ChemDiv3_003976 Fc1ccc(Nc2nc3ccccc3nc2Nc4ccc(F)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E17 compound treatment 0.165 0.294 0.42 0.145 0.216 0.43 -0.321 -0.270938564026647 -0.521835038825921 0.1871 0.2357 1173393 ChemDiv3_003977 CC(C)N(C(=O)Cn1c2ccccc2c3nc4ccccc4nc13)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E18 compound treatment 0.829 0.958 1.36 0.604 0.675 1.33 0.77 0.820061435973353 1.5794606161665 2.4686 0.9971 3023963 ChemDiv3_003978 OC(C#CCN1CCOCC1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E19 compound treatment 0.306 0.435 0.62 0.848 0.919 1.82 1.043 1.09306143597335 2.062727422809 2.5965 0.9218 3119252 ChemDiv3_003979 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E20 compound treatment 0.117 0.246 0.35 0.763 0.834 1.65 0.426 0.476061435973353 0.916907265738094 1.6829 0.8775 1158512 ChemDiv3_003980 COc1ccc2c(c1)c(=O)oc3cc(OC(C)C)ccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E21 compound treatment -0.012 0.117 0.17 0.089 0.16 0.32 0.065 0.115061435973353 0.221611453224561 0.4072 0.967 3119253 ChemDiv3_003981 CC12CS(=O)(=O)CC2SC(=S)N1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E22 compound treatment -0.065 0.0644 0.09 -0.087 -0.0156 -0.03 -0.18 -0.129938564026647 -0.250265206237533 -0.1094 -0.4077 1357925 ChemDiv3_003982 CN(C)C(=O)COc1cc(C)cc2oc(=O)c3CCCCc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E23 mock treatment -0.675 -0.546 -0.78 -0.397 -0.326 -0.64 -0.671 -0.620938564026647 -1.1959445523432 -1.5095 -0.9653 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 E24 mock treatment -1.234 -1.1 -1.57 -0.918 -0.847 -1.67 -0.072 -0.021938564026647 -0.0422542706379161 -1.8962 -0.8266 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F01 compound treatment -0.5 -0.371 -0.53 -0.229 -0.158 -0.31 -0.284 -0.233938564026647 -0.450572033111238 -0.744 -0.979 3023964 ChemDiv3_003983 CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F02 compound treatment -1.492 -1.36 -1.94 -1.397 -1.33 -2.62 -1.082 -1.03193856402665 -1.98754172393063 -3.7771 -0.9901 3119382 ChemDiv3_003984 O=C(NC1=NCCS1)c2cc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F03 compound treatment -0.517 -0.388 -0.55 -0.373 -0.302 -0.6 -0.424 -0.373938564026647 -0.720215838518148 -1.0778 -0.9934 1627858 ChemDiv3_003985 CN(C)c1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F04 compound treatment -1.05 -0.921 -1.31 -0.966 -0.895 -1.77 -0.827 -0.776938564026647 -1.49640479265375 -2.6394 -0.9925 3119383 ChemDiv3_003986 CC1=[N+]([O-])C(C)(C)[N+](=C1c2ccc(C)cc2)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F05 compound treatment -0.833 -0.704 -1.0 -0.943 -0.872 -1.72 -0.5 -0.449938564026647 -0.866593904310471 -2.0715 -0.9541 3119384 ChemDiv3_003987 COC(=O)c1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F06 compound treatment 0.197 0.326 0.46 0.176 0.247 0.49 0.378 0.428061435973353 0.824457961027153 1.026 0.9636 3023965 ChemDiv3_003988 CC(C)Cc1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F07 compound treatment -0.219 -0.0896 -0.13 -0.474 -0.403 -0.79 -0.486 -0.435938564026647 -0.83962952376978 -1.0172 -0.8745 3119385 ChemDiv3_003989 Cc1ccccc1OCC(=O)Nc2cccc(c2)c3nnc(o3)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F08 compound treatment -0.222 -0.0926 -0.13 -0.4 -0.329 -0.65 -0.635 -0.584938564026647 -1.12660757380999 -1.101 -0.8426 3023966 ChemDiv3_003990 COC(=O)c1c(C)c(=O)[nH]c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F09 compound treatment -0.044 0.0854 0.12 0.633 0.704 1.39 0.6 0.650061435973353 1.25203599531525 1.596 0.851 1509397 ChemDiv3_003991 Fc1ccc(cc1)C(=O)Nc2ncnc3sc4CCCCCc4c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F10 compound treatment 0.352 0.481 0.68 -0.145 -0.0736 -0.15 -0.23 -0.179938564026647 -0.346566565311429 0.1112 0.1424 3023967 ChemDiv3_003992 FC(F)(F)C1(N=C(OC(=N1)c2ccccc2)N3CCCCC3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F11 compound treatment -0.865 -0.736 -1.05 -0.587 -0.516 -1.02 -0.037 0.013061435973353 0.0251566807138115 -1.177 -0.8064 1229183 ChemDiv3_003993 Cc1sc2nc3c4ccccc4c(NCCO)nn3c(=O)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F12 compound treatment -2.234 -2.1 -2.99 -1.113 -1.04 -2.06 -0.221 -0.170938564026647 -0.329232320678128 -3.105 -0.8517 1299234 ChemDiv3_003994 COC(=O)c1c(N)n(CCc2ccccc2)c3nc4ccccc4nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F13 compound treatment -1.344 -1.21 -1.73 -0.65 -0.579 -1.14 -0.582 -0.531938564026647 -1.02452813319166 -2.2481 -0.9731 1319064 ChemDiv3_003995 Cc1ccc(Oc2nnc(c3cccs3)c4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F14 compound treatment 0.908 1.04 1.47 1.559 1.63 2.54 1.041 1.09106143597335 2.06088849156744 3.5098 0.9775 3119386 ChemDiv3_003996 Cc1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F15 compound treatment -0.178 -0.0486 -0.07 -0.607 -0.536 -1.06 -0.639 -0.588938564026647 -1.1343116825359 -1.3053 -0.8409 3023968 ChemDiv3_003997 Cn1nc(CC(=O)Nc2nc(cs2)c3ccccc3)c4ccccc4c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F16 compound treatment -0.033 0.0964 0.14 0.016 0.0874 0.17 0.236 0.286061435973353 0.550962101257287 0.4969 0.8374 3119387 ChemDiv3_003998 COc1ccc(/N=C/c2c(O)ccc3oc4CCCCc4c23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F17 compound treatment -0.221 -0.0916 -0.13 -0.327 -0.256 -0.5 -0.022 0.028061435973353 0.0540470884359805 -0.3353 -0.64 1229320 ChemDiv3_003999 CCOC(=O)CN1C(=O)C2(C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C(=O)OCC)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F18 compound treatment 0.333 0.462 0.66 0.638 0.709 1.4 0.717 0.767061435973353 1.47738117554817 2.0413 0.9541 1796400 ChemDiv3_004000 COc1ccc(CCn2cnc3sc4CCCCc4c3c2=N)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F19 compound treatment 0.4 0.529 0.75 0.424 0.495 0.98 0.381 0.431061435973353 0.830236042571587 1.4787 0.994 1598055 ChemDiv3_004001 Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)n1Cc5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F20 compound treatment -0.014 0.115 0.16 0.579 0.65 1.28 0.194 0.244061435973353 0.470068959635214 1.1076 0.8041 3024019 ChemDiv3_004002 CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F21 compound treatment 0.141 0.27 0.38 -1.639 -1.57 -3.1 -2.338 -2.28793856402665 -4.40663186386691 -4.1092 -0.7611 1409929 ChemDiv3_004003 Cn1nc(C(=O)O)c2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F22 compound treatment 0.178 0.307 0.44 -0.31 -0.239 -0.47 -0.687 -0.636938564026647 -1.22676098724684 -0.7279 -0.5256 1387840 ChemDiv3_004004 CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)nc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F23 mock treatment 0.134 0.263 0.37 -0.111 -0.0396 -0.08 0.155 0.205061435973353 0.394953899557574 0.3991 0.7259 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 F24 mock treatment -0.515 -0.386 -0.55 -0.016 0.0554 0.11 0.15 0.200061435973353 0.385323763650185 -0.0309 -0.0454 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G01 compound treatment 0.397 0.526 0.75 0.269 0.34 0.67 0.282 0.332061435973353 0.639559351605272 1.1895 0.9978 3119388 ChemDiv3_004005 COC(=O)C1=CN(C=C(C1c2ccccc2)C(=O)OC)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G02 compound treatment -0.552 -0.423 -0.6 -0.043 0.0284 0.06 0.0 0.050061435973353 0.096419686428495 -0.2588 -0.4235 3024021 ChemDiv3_004006 Cc1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c(C)n1c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G03 compound treatment -1.068 -0.939 -1.33 -0.5 -0.429 -0.85 -0.283 -0.232938564026647 -0.44864600592976 -1.518 -0.9242 3119389 ChemDiv3_004007 c1ccc2sc(nc2c1)c3cccc(n3)c4nc5ccccc5s4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G04 compound treatment -1.353 -1.22 -1.74 -0.683 -0.612 -1.21 -0.328 -0.277938564026647 -0.535317229096267 -2.0106 -0.9205 3119390 ChemDiv3_004008 COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G05 compound treatment -1.446 -1.32 -1.87 -0.769 -0.698 -1.38 -0.355 -0.304938564026647 -0.587319962996171 -2.215 -0.9241 3024022 ChemDiv3_004009 COc1ccc(/C=C/C=N/n2c(SC)nnc2c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G06 compound treatment -0.076 0.0534 0.08 -0.973 -0.902 -1.78 -1.211 -1.16093856402665 -2.23599923034128 -2.2749 -0.7957 1871125 ChemDiv3_004010 Cc1c(C)c2ccccc2n1C(=O)CSc3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G07 compound treatment 0.281 0.41 0.58 0.623 0.694 1.37 0.63 0.680061435973353 1.30981681075959 1.8848 0.95 1673764 ChemDiv3_004011 CC(=O)N1C(Oc2nc(SCC=C)nnc2-c3ccccc13)c4ccc(o4)c5ccc(F)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G08 compound treatment 0.105 0.234 0.33 0.215 0.286 0.57 0.384 0.434061435973353 0.836014124116021 1.0016 0.9423 3119391 ChemDiv3_004012 COc1ccc(NC(=O)C2CC(=O)N=C(Nc3ccccc3)S2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G09 compound treatment 0.159 0.288 0.41 -0.506 -0.435 -0.86 -0.353 -0.302938564026647 -0.583467908633215 -0.5955 -0.5338 1613829 ChemDiv3_004013 CCSc1nnc(c(O)n1)c2ccccc2NC(=O)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G10 compound treatment 0.096 0.225 0.32 -0.386 -0.315 -0.62 0.0 0.050061435973353 0.096419686428495 -0.1179 -0.1671 1558726 ChemDiv3_004014 CC(C)(C)NC(=O)N1c2ccccc2Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G11 compound treatment 0.045 0.174 0.25 -0.795 -0.724 -1.43 -0.105 -0.054938564026647 -0.105813167626688 -0.7428 -0.5109 3119392 ChemDiv3_004015 Cc1nn(C)c(C)c1NC(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G12 compound treatment -0.018 0.111 0.16 -2.2 -2.13 -4.2 -0.477 -0.426938564026647 -0.822295279136478 -2.8098 -0.6557 1465103 ChemDiv3_004016 CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G13 compound treatment -1.111 -0.982 -1.4 -0.971 -0.9 -1.78 -0.292 -0.241938564026647 -0.465980250563061 -2.1003 -0.9106 3119393 ChemDiv3_004017 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc(F)cc3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G14 compound treatment -1.279 -1.15 -1.63 -1.147 -1.08 -2.12 -0.313 -0.262938564026647 -0.506426821374098 -2.4622 -0.9028 1303056 ChemDiv3_004018 CC(C)(C)NC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G15 compound treatment -0.661 -0.532 -0.76 -0.263 -0.192 -0.38 0.111 0.161061435973353 0.310208703572545 -0.4756 -0.5283 1692964 ChemDiv3_004019 CCC(=O)N1N=C(CC1c2cc3cc(OC)ccc3nc2Cl)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G16 compound treatment -0.627 -0.498 -0.71 -0.531 -0.46 -0.91 -0.078 -0.027938564026647 -0.0538104337267837 -0.9634 -0.8364 1699942 ChemDiv3_004020 Brc1ccc(cc1)C2NC(=O)c3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G17 compound treatment -0.132 -0.00259 0.0 -0.468 -0.397 -0.78 -0.103 -0.052938564026647 -0.101961113263732 -0.5131 -0.6498 3024023 ChemDiv3_004021 CC(=O)OC1CCS(=O)(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G18 compound treatment -0.065 0.0644 0.09 -2.058 -1.99 -3.92 -2.535 -2.48493856402665 -4.78605921861806 -4.975 -0.8039 3119394 ChemDiv3_004022 CCCc1n[nH]c2OC(=C(C#N)C(CCc3ccccc3)c12)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G19 compound treatment 0.303 0.432 0.61 0.891 0.962 1.9 0.597 0.647061435973353 1.24625791377082 2.1716 0.9224 3024024 ChemDiv3_004023 CC1(CCS(=O)(=O)C1)NC(=S)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G20 compound treatment -0.027 0.102 0.15 -0.47 -0.399 -0.79 -0.756 -0.705938564026647 -1.35965686276882 -1.1553 -0.7323 1713974 ChemDiv3_004024 Oc1cc(OCC(=O)c2ccccc2)cc3oc(cc(=O)c13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G21 compound treatment -0.194 -0.0646 -0.09 -0.584 -0.513 -1.01 -0.775 -0.724938564026647 -1.3962513792169 -1.4435 -0.8359 1338699 ChemDiv3_004025 CCCCN(C1CCS(=O)(=O)C1)C(=O)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G22 compound treatment 0.043 0.172 0.25 0.083 0.154 0.3 -0.167 -0.116938564026647 -0.22522685287832 0.1875 0.4154 1306939 ChemDiv3_004026 Cc1c(OC(=O)c2ccco2)ccc3c4CCCc4c(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G23 mock treatment -0.373 -0.244 -0.35 -0.08 -0.00856 -0.02 0.243 0.293061435973353 0.564444291527632 0.1162 0.1754 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 G24 mock treatment -0.43 -0.301 -0.43 -0.042 0.0294 0.06 0.128 0.178061435973353 0.34295116565767 -0.0152 -0.0276 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H01 compound treatment -0.6 -0.471 -0.67 -0.707 -0.636 -1.25 -1.113 -1.06293856402665 -2.04724856655644 -2.2928 -0.9198 3119395 ChemDiv3_004027 CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H02 compound treatment -0.176 -0.0466 -0.07 0.195 0.266 0.53 0.69 0.740061435973353 1.42537844164827 1.0884 0.7157 3024025 ChemDiv3_004028 Cc1c(c2ccco2)[n+]([O-])c(c(C)[n+]1[O-])c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H03 compound treatment -1.224 -1.09 -1.56 -1.511 -1.44 -2.84 -1.643 -1.59293856402665 -3.06804297273975 -4.3109 -0.966 3119396 ChemDiv3_004029 C/C(=N\O)/CCc1oc2ccccc2c1c3ccc(C)o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H04 compound treatment -2.373 -2.24 -3.19 -2.097 -2.03 -4.0 -1.449 -1.39893856402665 -2.69439369953303 -5.7064 -0.9869 3024026 ChemDiv3_004030 CC1N(O)C(C)(C)[N+](=C1c2ccccc2)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H05 compound treatment -0.759 -0.63 -0.9 0.257 0.328 0.65 -0.387 -0.336938564026647 -0.648952832803465 -0.5171 -0.4034 3024027 ChemDiv3_004031 CC(=O)N/C(=C\c1cccs1)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H06 compound treatment -0.247 -0.118 -0.17 -0.118 -0.0466 -0.09 -0.265 -0.214938564026647 -0.413977516663157 -0.3886 -0.8525 3119397 ChemDiv3_004032 CCSc1nc(O)c(C(C)CC)c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H07 compound treatment -0.194 -0.0646 -0.09 0.186 0.257 0.51 -0.554 -0.503938564026647 -0.970599372110279 -0.3199 -0.291 1130593 ChemDiv3_004033 O=C(Cc1ccccc1)Nc2cccc(c2)S(=O)(=O)c3cccc(NC(=O)Cc4ccccc4)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H08 compound treatment -1.039 -0.91 -1.29 -0.81 -0.739 -1.46 0.055 0.105061435973353 0.202351181409781 -1.4718 -0.7511 3024028 ChemDiv3_004034 CCOC(=O)c1nn(c(C#N)c1NC(=O)c2nn(CC)cc2Br)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H09 compound treatment 0.366 0.495 0.7 -0.881 -0.81 -1.6 -0.561 -0.510938564026647 -0.984081562380625 -1.0844 -0.5409 1423488 ChemDiv3_004035 COc1cc2c(cc1NP(=O)(C)Oc3ccccc3)oc4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H10 compound treatment -0.887 -0.758 -1.08 -1.036 -0.965 -1.9 -0.45 -0.399938564026647 -0.770292545236574 -2.1662 -0.9338 3024029 ChemDiv3_004036 COc1ccc(Cl)cc1NC2=NCC(C)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H11 compound treatment 0.054 0.183 0.26 0.385 0.456 0.9 0.192 0.242061435973353 0.466216905272258 0.9401 0.8973 1247540 ChemDiv3_004037 CC1CCN(CC1)c2nn3c(=O)c4c(C)c(C)sc4nc3c5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H12 compound treatment 0.129 0.258 0.37 -1.429 -1.36 -2.68 -1.306 -1.25593856402665 -2.41897181258168 -2.7321 -0.7528 1685422 ChemDiv3_004038 CCOC(=O)c1c(N)n(C2CCCCC2)c3nc4ccccc4nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H13 compound treatment -2.683 -2.55 -3.63 -1.093 -1.02 -2.02 -2.558 -2.50793856402665 -4.83035784379205 -6.0495 -0.9496 1241398 ChemDiv3_004039 C1CCCN(CC1)c2nnc(c3cccs3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H14 compound treatment -0.079 0.0504 0.07 -0.025 0.0464 0.09 -0.525 -0.474938564026647 -0.914744583847419 -0.4338 -0.4705 3119548 ChemDiv3_004040 CCc1ccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H15 compound treatment -0.711 -0.582 -0.83 -0.041 0.0304 0.06 -0.649 -0.598938564026647 -1.15357195435068 -1.1087 -0.7805 3024030 ChemDiv3_004041 O=C(Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H16 compound treatment 0.255 0.384 0.55 0.775 0.846 1.67 0.377 0.427061435973353 0.822531933845675 1.7554 0.9042 3119549 ChemDiv3_004042 Oc1ccc2oc3CCCCc3c2c1/C=N/N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H17 compound treatment -0.593 -0.464 -0.66 -0.627 -0.556 -1.1 0.081 0.131061435973353 0.252427888128207 -0.8681 -0.6655 1705908 ChemDiv3_004043 CCOC(=O)CN1C(=O)C2(C(=C(N)Oc3[nH]nc(C)c32)C#N)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H18 compound treatment 0.155 0.284 0.4 -0.336 -0.265 -0.52 0.037 0.087061435973353 0.167682692143178 0.0287 0.0421 3024031 ChemDiv3_004044 COc1ccc(CCn2cnc3oc(c(c4ccccc4)c3c2=N)c5ccccc5)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H19 compound treatment -0.027 0.102 0.15 -0.423 -0.352 -0.69 -0.32 -0.269938564026647 -0.519909011644443 -0.6169 -0.7015 3119550 ChemDiv3_004045 Cc1nc(SC2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)c4c5CCCCc5sc4n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H20 compound treatment 1.151 1.28 1.7 0.763 0.834 1.65 0.081 0.131061435973353 0.252427888128207 2.0772 0.8731 3442340 ChemDiv3_004046 CC(C)CC(Nc1ncnc2sc3CCCc3c12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H21 compound treatment 1.015 1.14 1.62 -1.147 -1.08 -2.12 -1.206 -1.15593856402665 -2.22636909443389 -1.5788 -0.4543 3024084 ChemDiv3_004047 COC(=O)/C=c/1\sc2ncnn2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H22 compound treatment -0.821 -0.692 -0.98 -0.477 -0.406 -0.8 0.178 0.228061435973353 0.439252524731567 -0.7764 -0.5786 1470170 ChemDiv3_004048 Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H23 mock treatment 0.305 0.434 0.62 -0.25 -0.179 -0.35 0.029 0.079061435973353 0.152274474691355 0.2409 0.3313 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 H24 mock treatment -0.339 -0.21 -0.3 0.069 0.14 0.28 0.133 0.183061435973353 0.35258130156506 0.1916 0.3558 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I01 compound treatment 0.762 0.891 1.27 -0.586 -0.515 -1.02 -0.7 -0.649938564026647 -1.25179934060606 -0.5776 -0.2817 3024085 ChemDiv3_004049 Cc1[n+](CC=C)n(C)c2cc(Cl)c(Cl)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I02 compound treatment 0.463 0.592 0.84 0.923 0.994 1.96 0.375 0.425061435973353 0.818679879482719 2.0926 0.9146 3119551 ChemDiv3_004050 COCCn1c(C)cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I03 compound treatment -0.078 0.0514 0.07 0.091 0.162 0.32 -0.157 -0.106938564026647 -0.20596658106354 0.1085 0.2795 1185967 ChemDiv3_004051 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I04 compound treatment 0.327 0.456 0.65 0.139 0.21 0.42 -0.245 -0.194938564026647 -0.375456973033598 0.3978 0.4641 3119552 ChemDiv3_004052 COc1ccc(Cl)c(NC2=NC(=O)/C(=C\c3cccnc3)/S2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I05 compound treatment 0.276 0.405 0.58 0.787 0.858 1.69 -0.087 -0.036938564026647 -0.071144678360085 1.2703 0.709 1528287 ChemDiv3_004053 CSc1nnc-2c(OC(C)N(C(=O)C)c3ccccc32)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I06 compound treatment 0.25 0.379 0.54 0.458 0.529 1.05 -0.203 -0.152938564026647 -0.294563831411525 0.7449 0.6143 1788578 ChemDiv3_004054 O=C(CSc1nnc(o1)c2ccccc2)N3c4ccccc4CCc5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I07 compound treatment -0.303 -0.174 -0.25 -0.159 -0.0876 -0.17 -0.521 -0.470938564026647 -0.907040475121507 -0.766 -0.8014 3024086 ChemDiv3_004055 COC(=O)C1=C(C)NC(=S)NC1c2cc3OCOc3cc2Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I08 compound treatment 0.209 0.338 0.48 0.059 0.13 0.26 -0.341 -0.290938564026647 -0.56035558245548 0.103 0.1316 3119553 ChemDiv3_004056 FC(F)(F)c1cccc(c1)n2c(=O)oc3ccc(Cl)cc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I09 compound treatment -0.205 -0.0756 -0.11 0.018 0.0894 0.18 0.039 0.089061435973353 0.171534746506134 0.1389 0.5172 3119554 ChemDiv3_004057 CCc1ccc2NC(=O)/C(=C/3\S\C(=N/c4cccc(Cl)c4C)\NC3=O)/c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I10 compound treatment 0.063 0.192 0.27 -0.43 -0.359 -0.71 -0.429 -0.378938564026647 -0.729845974425538 -0.6722 -0.6384 1437793 ChemDiv3_004058 O=C(NCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I11 compound treatment 0.009 0.138 0.2 -0.823 -0.752 -1.48 -1.029 -0.978938564026647 -1.8854622833123 -1.8317 -0.7609 3119555 ChemDiv3_004059 COC(=O)c1cc2c(C)nn(c3ccccc3)c2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I12 compound treatment -0.344 -0.215 -0.31 -2.459 -2.39 -4.71 -0.4 -0.349938564026647 -0.673991186162678 -3.2871 -0.6888 1679546 ChemDiv3_004060 CCc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I13 compound treatment -0.037 0.0924 0.13 0.05 0.121 0.24 -0.083 -0.032938564026647 -0.0634405696341733 0.1777 0.633 3119556 ChemDiv3_004061 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(OC)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I14 compound treatment -0.184 -0.0546 -0.08 -0.483 -0.412 -0.81 -0.679 -0.628938564026647 -1.21135276979502 -1.2134 -0.8306 3024087 ChemDiv3_004062 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I15 compound treatment -1.194 -1.06 -1.51 -0.376 -0.305 -0.6 -0.543 -0.492938564026647 -0.949413073114022 -1.7692 -0.9385 1737307 ChemDiv3_004063 O=C(N1N=C(CC1c2ccc3nccnc3c2)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I16 compound treatment -0.966 -0.837 -1.19 -0.203 -0.132 -0.26 -2.939 -2.88893856402665 -5.56417419993515 -4.0492 -0.7109 3024088 ChemDiv3_004064 NC(=N)SCC1CN=C(S1)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I17 compound treatment -1.198 -1.07 -1.52 -0.076 -0.00456 -0.01 -0.745 -0.694938564026647 -1.33847056377256 -1.6551 -0.8174 1449842 ChemDiv3_004065 CNC(=S)NC1CCS(=O)(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I18 compound treatment 0.095 0.224 0.32 0.192 0.263 0.52 0.317 0.367061435973353 0.706970302956999 0.8927 0.9559 3119557 ChemDiv3_004066 CCCOc1ccc(cc1OCC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I19 compound treatment -0.485 -0.356 -0.51 -0.302 -0.231 -0.46 -0.569 -0.518938564026647 -0.999489779832448 -1.1318 -0.9361 3024089 ChemDiv3_004067 CCCC(NC1CCS(=O)(=O)C1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I20 compound treatment -0.937 -0.808 -1.15 -0.65 -0.579 -1.14 -1.571 -1.52093856402665 -2.92936901567334 -3.0137 -0.9003 1874878 ChemDiv3_004068 COc1ccc2c(c1)c(=O)oc3c(C)c(OC(C(=O)O)c4ccccc4)ccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I21 compound treatment 0.126 0.255 0.36 0.018 0.0894 0.18 -0.117 -0.066938564026647 -0.128925493804423 0.2372 0.5595 1557945 ChemDiv3_004069 CCc1ccccc1NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccccc3CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I22 compound treatment 0.208 0.337 0.48 -0.22 -0.149 -0.29 -0.173 -0.122938564026647 -0.236783015967187 -0.0291 -0.0477 3024090 ChemDiv3_004070 Cc1cc(OC(=O)c2cccs2)c3c4CCCc4c(=O)oc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I23 mock treatment -0.748 -0.619 -0.88 -0.164 -0.0926 -0.18 -0.431 -0.380938564026647 -0.733698028788494 -1.0369 -0.894 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 I24 mock treatment -1.108 -0.979 -1.39 -0.788 -0.717 -1.41 -0.303 -0.252938564026647 -0.487166549559318 -1.9014 -0.9306 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J01 compound treatment -0.028 0.101 0.14 1.262 1.33 2.34 0.597 0.647061435973353 1.24625791377082 2.1538 0.8112 3024091 ChemDiv3_004071 CC(C)N1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccncc3)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J02 compound treatment -0.632 -0.503 -0.71 0.03 0.101 0.2 -0.097 -0.046938564026647 -0.0904049501748644 -0.3491 -0.467 3119558 ChemDiv3_004072 CC(=O)OC1CCC(OC(=O)C)c2c1[n+]([O-])c(C)c(C)[n+]2[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J03 compound treatment -0.648 -0.519 -0.74 -0.915 -0.844 -1.67 -1.182 -1.13193856402665 -2.18014444207842 -2.6461 -0.9314 3024092 ChemDiv3_004073 S=c1cc(oc(c1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J04 compound treatment -0.5 -0.371 -0.53 -0.448 -0.377 -0.74 -0.242 -0.191938564026647 -0.369678891489164 -0.9469 -0.9629 3119559 ChemDiv3_004074 Cc1c(c2ccccc2)[n+]([O-])c(c(C)[n+]1[O-])c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J05 compound treatment 0.052 0.181 0.26 -0.49 -0.419 -0.83 -0.403 -0.352938564026647 -0.679769267707112 -0.7207 -0.6547 1128591 ChemDiv3_004075 COc1ccc(CC(=O)Nc2cccc(c2)c3nc4cc5ccccc5cc4[nH]3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J06 compound treatment 1.36 1.49 1.81 -0.043 0.0284 0.06 -0.091 -0.040938564026647 -0.0788487870859968 1.0304 0.5693 1255030 ChemDiv3_004076 COc1ccc(cc1OC)C2C(c3cc(OC)c(OC)cc3C2=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J07 compound treatment 0.169 0.298 0.42 -0.719 -0.648 -1.28 -1.091 -1.04093856402665 -2.00487596856393 -1.6508 -0.6834 3119560 ChemDiv3_004077 O=C(Nc1cccc(c1)c2nc3ccccc3c(=O)o2)C4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J08 compound treatment 0.363 0.492 0.7 0.033 0.104 0.21 0.015 0.065061435973353 0.125310094150664 0.5956 0.8043 3024093 ChemDiv3_004078 CCOC(=O)c1nn(c(C(=O)OCC)c1NC(=O)C2CCCCC2)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J09 compound treatment -0.03 0.0994 0.14 -0.73 -0.659 -1.3 -0.649 -0.598938564026647 -1.15357195435068 -1.3352 -0.7656 1215988 ChemDiv3_004079 OC(=O)c1c2CC(CCc2nc3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J10 compound treatment -0.545 -0.416 -0.59 -1.107 -1.04 -2.04 -1.049 -0.998938564026647 -1.92398282694186 -2.6325 -0.9175 3119561 ChemDiv3_004080 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J11 compound treatment -0.489 -0.36 -0.51 -0.453 -0.382 -0.75 -0.062 -0.011938564026647 -0.0229939988231368 -0.7434 -0.8162 1549011 ChemDiv3_004081 Cc1ccc(cc1)c2nn3c(=O)c4ccccc4nc3c5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J12 compound treatment -1.403 -1.27 -1.81 -1.889 -1.82 -3.59 -0.189 -0.138938564026647 -0.267599450870834 -3.2719 -0.8122 1317257 ChemDiv3_004082 CCc1ccc(cc1)n2c(N)c(C(=O)OC)c3nc4ccccc4nc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J13 compound treatment 0.181 0.31 0.44 -0.524 -0.453 -0.89 -0.314 -0.263938564026647 -0.508352848555576 -0.5546 -0.4957 3024094 ChemDiv3_004083 O=C(CSc1ncnc2sc(cc12)c3ccccc3)c4ccc5OCCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J14 compound treatment -0.18 -0.0506 -0.07 0.182 0.253 0.5 0.056 0.106061435973353 0.204277208591259 0.3653 0.67 3119562 ChemDiv3_004084 FC(F)(F)c1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J15 compound treatment -0.037 0.0924 0.13 0.689 0.76 1.5 0.164 0.214061435973353 0.412288144190876 1.1808 0.7556 1305983 ChemDiv3_004085 CCCN1CC=C2C(C1)C3(C(=O)Nc4ccccc43)C(C#N)(C#N)C(=C2C#N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J16 compound treatment -0.304 -0.175 -0.25 -0.508 -0.437 -0.86 -0.446 -0.395938564026647 -0.762588436510663 -1.0813 -0.9184 1458619 ChemDiv3_004086 CC(C)(C)c1nc2scc(c3ccccc3)c2c(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J17 compound treatment -0.195 -0.0656 -0.09 -0.164 -0.0926 -0.18 -0.269 -0.218938564026647 -0.421681625389069 -0.4028 -0.859 1274153 ChemDiv3_004087 CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C41C(=O)N(CC(=O)OC)c5ccccc54 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J18 compound treatment 0.024 0.153 0.22 0.655 0.726 1.43 0.897 0.947061435973353 1.8240660682142 2.0072 0.8612 1393431 ChemDiv3_004088 CCn1c(=O)c2c(-c3ccccc3CC42CCCCC4)n5c(SCC(=O)N)nnc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J19 compound treatment -0.589 -0.46 -0.65 0.036 0.107 0.21 -0.353 -0.302938564026647 -0.583467908633215 -0.5916 -0.6564 3119696 ChemDiv3_004089 CCN(CC)C(=O)O[n+]1cccc(CC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J20 compound treatment 0.063 0.192 0.27 -0.042 0.0294 0.06 -0.307 -0.256938564026647 -0.49487065828523 -0.0942 -0.1657 3119697 ChemDiv3_004090 C=CCN1C(=C(OC(=O)c2ccccc2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J21 compound treatment -0.241 -0.112 -0.16 -0.806 -0.735 -1.45 -0.342 -0.291938564026647 -0.562281609636958 -1.2536 -0.8017 1423420 ChemDiv3_004091 Cc1cc(C)n(n1)c2nnc(C)n2NC(=S)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J22 compound treatment -0.8 -0.671 -0.95 -0.488 -0.417 -0.82 -0.03 0.020061435973353 0.0386388709841571 -1.003 -0.7962 3119698 ChemDiv3_004092 COC(=O)/C=C/1\N(C(=NC1=O)Nc2nc(C)cc(C)n2)c3cccc(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J23 mock treatment -0.056 0.0734 0.1 -0.531 -0.46 -0.91 0.067 0.117061435973353 0.225463507587516 -0.3335 -0.3544 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 J24 mock treatment 0.086 0.215 0.31 0.216 0.287 0.57 0.181 0.231061435973353 0.445030606276001 0.7614 0.9718 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K01 compound treatment -0.173 -0.0436 -0.06 -0.304 -0.233 -0.46 -0.174 -0.123938564026647 -0.238709043148665 -0.4387 -0.8417 3023297 ChemDiv3_004093 Oc1cc(C2C(=O)c3ccccc3C2=O)c4ccc5ccccc5c4n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K02 compound treatment -0.017 0.112 0.16 0.307 0.378 0.75 -0.014 0.036061435973353 0.069455305887804 0.5638 0.7348 3119699 ChemDiv3_004094 COCCn1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K03 compound treatment 0.0 0.129 0.18 -0.316 -0.245 -0.48 0.017 0.067061435973353 0.12916214851362 -0.098 -0.184 1169810 ChemDiv3_004095 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K04 compound treatment 1.985 2.11 2.05 1.09 1.16 2.2 0.648 0.698061435973353 1.34448530002619 3.2297 0.9806 3119700 ChemDiv3_004096 OC(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=NC3=O)Nc4cccc(c4)C(=O)O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K05 compound treatment -0.846 -0.717 -1.02 -0.276 -0.205 -0.4 0.051 0.101061435973353 0.19464707268387 -0.709 -0.637 3119701 ChemDiv3_004097 CC/1=NN(C(=O)\C1=C/Nc2cc(C)ccn2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K06 compound treatment -0.027 0.102 0.15 -1.412 -1.34 -2.65 -1.942 -1.89193856402665 -3.64392510000165 -3.548 -0.7874 1871177 ChemDiv3_004098 COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K07 compound treatment -0.051 0.0784 0.11 0.426 0.497 0.98 0.718 0.768061435973353 1.47930720272965 1.4855 0.8349 3119702 ChemDiv3_004099 CN/1C(=N)NC(=O)\C1=C\c2ccc(C)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K08 compound treatment 0.114 0.243 0.35 0.4 0.471 0.93 0.161 0.211061435973353 0.406510062646442 0.9719 0.9057 3023298 ChemDiv3_004100 COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K09 compound treatment 0.033 0.162 0.23 0.289 0.36 0.71 -1.319 -1.26893856402665 -2.4440101659409 -0.8668 -0.3391 3119703 ChemDiv3_004101 CCOc1cc(/C=C/2\C(=O)Nc3ccc(Br)cc23)ccc1OCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K10 compound treatment 0.325 0.454 0.65 -0.082 -0.0106 -0.02 0.202 0.252061435973353 0.485477177087037 0.6413 0.7932 1400389 ChemDiv3_004102 CCOC(=O)C1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K11 compound treatment 0.117 0.246 0.35 -0.377 -0.306 -0.6 -0.088 -0.037938564026647 -0.073070705541563 -0.1883 -0.2684 1679244 ChemDiv3_004103 Cc1ccc(Nc2nc(C)cc(C)c2C(=O)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K12 compound treatment -0.18 -0.0506 -0.07 -1.563 -1.49 -2.95 -0.209 -0.158938564026647 -0.306119994500393 -1.9186 -0.6478 1721188 ChemDiv3_004104 CCCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K13 compound treatment -0.827 -0.698 -0.99 -0.569 -0.498 -0.98 0.485 0.535061435973353 1.03054286944529 -0.5449 -0.314 1612458 ChemDiv3_004105 CCn1c2ccccc2c3cc(NS(=O)(=O)c4ccccc4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K14 compound treatment -0.273 -0.144 -0.2 -0.474 -0.403 -0.79 -0.548 -0.497938564026647 -0.959043209021412 -1.1305 -0.8956 1300482 ChemDiv3_004106 CN1C(=C(N2CCOCC2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K15 compound treatment -1.034 -0.905 -1.29 -0.034 0.0374 0.07 -0.152 -0.101938564026647 -0.196336445156151 -0.8132 -0.6241 3023329 ChemDiv3_004107 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3OC)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K16 compound treatment -0.613 -0.484 -0.69 -0.294 -0.223 -0.44 -0.06 -0.009938564026647 -0.0191419444601809 -0.6617 -0.8107 3119704 ChemDiv3_004108 NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K17 compound treatment -0.062 0.0674 0.1 -0.397 -0.326 -0.64 0.049 0.099061435973353 0.190795018320914 -0.2056 -0.3036 1697884 ChemDiv3_004109 CCOC(=O)NC1CS(=O)(=O)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K18 compound treatment -0.015 0.114 0.16 0.888 0.959 1.89 0.583 0.633061435973353 1.21929353323013 1.8916 0.8375 3119705 ChemDiv3_004110 CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4ccc(OC)cc4)C(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K19 compound treatment -0.103 0.0264 0.04 0.233 0.304 0.6 -0.378 -0.327938564026647 -0.631618588170163 0.0041 0.0047 1179086 ChemDiv3_004111 O=S1(=O)CCC(C1)NC(=S)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K20 compound treatment -0.139 -0.00959 -0.01 -0.489 -0.418 -0.82 -0.786 -0.735938564026647 -1.41743767821316 -1.3022 -0.7941 3119706 ChemDiv3_004112 CCCN1Cc2cccc(C(=O)N)c2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K21 compound treatment -0.191 -0.0616 -0.09 0.41 0.481 0.95 0.329 0.379061435973353 0.730082629134735 0.9198 0.7653 1541504 ChemDiv3_004113 CC(C)NC(=S)SC1CS(=O)(=O)C=C1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K22 compound treatment -0.185 -0.0556 -0.08 -0.686 -0.615 -1.21 0.074 0.124061435973353 0.238945697857862 -0.6083 -0.4908 1280043 ChemDiv3_004114 Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K23 mock treatment 0.174 0.303 0.43 -0.235 -0.164 -0.32 0.173 0.223061435973353 0.429622388824177 0.3106 0.4507 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 K24 mock treatment -0.86 -0.731 -1.04 0.028 0.0994 0.2 0.377 0.427061435973353 0.822531933845675 -0.0115 -0.0086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L01 compound treatment -0.293 -0.164 -0.23 0.396 0.467 0.92 0.113 0.163061435973353 0.314060757935501 0.5799 0.5786 3119707 ChemDiv3_004115 COCCN1C(=O)N(C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)/C1=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L02 compound treatment 0.417 0.546 0.78 1.95 2.02 2.75 1.463 1.51306143597335 2.38780337884617 3.4171 0.9169 3023337 ChemDiv3_004116 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(C)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L03 compound treatment -0.51 -0.381 -0.54 -0.039 0.0324 0.06 0.088 0.138061435973353 0.265910078398553 -0.1219 -0.2011 3119708 ChemDiv3_004117 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L04 compound treatment -0.421 -0.292 -0.41 -1.02 -0.949 -1.87 -0.413 -0.362938564026647 -0.699029539521891 -1.7243 -0.8445 3023341 ChemDiv3_004118 [O-][n+]1cc(c2ccccc2)[n+]([O-])c3CCCCc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L05 compound treatment -0.339 -0.21 -0.3 -0.265 -0.194 -0.38 -0.4 -0.349938564026647 -0.673991186162678 -0.7818 -0.9418 3023342 ChemDiv3_004119 CC(C)C(=O)Nc1cccc(c1)c2nc3ccccc3c(=O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L06 compound treatment 0.581 0.71 1.01 0.462 0.533 1.05 0.472 0.522061435973353 1.00550451608608 1.7718 0.9998 3119709 ChemDiv3_004120 CCc1ccc(OCCCn2cc(/C=C\3/C(=N)N4C=CSC4=NC3=O)c5ccccc25)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L07 compound treatment 0.163 0.292 0.42 -0.36 -0.289 -0.57 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.09 -0.1276 3023344 ChemDiv3_004121 CCSc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L08 compound treatment 0.176 0.305 0.43 -0.46 -0.389 -0.77 0.16 0.210061435973353 0.404584035464964 0.0413 0.0426 1713113 ChemDiv3_004122 O=S1(=O)C=C(SCCN2CCOCC2)c3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L09 compound treatment 0.653 0.782 1.11 -0.363 -0.292 -0.58 -0.988 -0.937938564026647 -1.8064951688717 -0.7331 -0.3335 3023346 ChemDiv3_004123 CN(C)c1oc(nc1C#N)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L10 compound treatment -0.478 -0.349 -0.5 -0.216 -0.145 -0.29 0.467 0.517061435973353 0.995874380178689 0.124 0.108 3119710 ChemDiv3_004124 CCC1(COC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)COC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L11 compound treatment 0.202 0.331 0.47 1.798 1.87 2.68 0.661 0.711061435973353 1.36952365338541 2.6091 0.8569 1380020 ChemDiv3_004125 CCC1CCc2c(C1)sc3ncnc(N4CCOCC4)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L12 compound treatment 0.404 0.533 0.76 -0.6 -0.529 -1.04 -0.677 -0.626938564026647 -1.20750071543206 -0.8618 -0.4877 1709855 ChemDiv3_004126 CCOc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L13 compound treatment 0.114 0.243 0.35 -0.359 -0.288 -0.57 -0.808 -0.757938564026647 -1.45981027620567 -0.9708 -0.6052 1688543 ChemDiv3_004127 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N2CCN(CC2)c3ncnc4sc5CCCCc5c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L14 compound treatment -0.106 0.0234 0.03 0.583 0.654 1.29 0.559 0.609061435973353 1.17306888087466 1.4425 0.8264 1554741 ChemDiv3_004128 COc1ccc2n(CCc3ccc(OC)c(OC)c3)c(C)c(C(=O)O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L15 compound treatment -0.396 -0.267 -0.38 -0.44 -0.369 -0.73 -0.607 -0.556938564026647 -1.07267881272861 -1.2583 -0.9317 1579821 ChemDiv3_004129 COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L16 compound treatment 1.0 1.13 1.61 0.403 0.474 0.94 0.657 0.707061435973353 1.3618195446595 2.2542 0.9782 3119711 ChemDiv3_004130 O/N=C/c1c(O)c(Br)cc2oc3CCCCc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L17 compound treatment -0.61 -0.481 -0.68 -0.357 -0.286 -0.56 -0.22 -0.169938564026647 -0.32730629349665 -0.909 -0.9625 1421908 ChemDiv3_004131 O=c1n(CN2CCCCC2)nnc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L18 compound treatment -0.642 -0.513 -0.73 -0.143 -0.0716 -0.14 -0.971 -0.920938564026647 -1.77375270678658 -1.5264 -0.7938 1535030 ChemDiv3_004132 COc1ccc(cc1)C(=O)n2nc3CC(C)(C)OCc3c2c4ccc(OC)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L19 compound treatment -1.29 -1.16 -1.65 -0.5 -0.429 -0.85 -0.964 -0.913938564026647 -1.76027051651623 -2.4575 -0.9612 3119712 ChemDiv3_004133 Cc1ccc(cc1)S(=O)(=O)N/2C(=O)C(C)(C)S\C2=N/CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L20 compound treatment -1.652 -1.52 -2.16 -1.414 -1.34 -2.65 -0.189 -0.138938564026647 -0.267599450870834 -2.9348 -0.8549 1346941 ChemDiv3_004134 CN1CCN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L21 compound treatment 0.904 1.03 1.47 -0.155 -0.0836 -0.16 -0.724 -0.673938564026647 -1.29802399296153 0.0036 0.0018 3119713 ChemDiv3_004135 Cc1nnc(SCc2cccc(c2)C(=O)c3ccccc3)nc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L22 compound treatment -0.859 -0.73 -1.04 -0.421 -0.35 -0.69 0.146 0.196061435973353 0.377619654924273 -0.7794 -0.5986 3119714 ChemDiv3_004136 CC1CCN(CC1)/C(=N\S(=O)(=O)c2ccc(Br)cc2)/Nc3nc(C)cc(C)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L23 mock treatment 1.238 1.37 1.75 -0.439 -0.368 -0.73 0.0 0.050061435973353 0.096419686428495 0.6445 0.3405 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 L24 mock treatment -0.278 -0.149 -0.21 -0.086 -0.0146 -0.03 -0.127 -0.076938564026647 -0.148185765619202 -0.2241 -0.8632 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M01 compound treatment 1.664 1.79 1.94 1.071 1.14 2.18 0.844 0.894061435973353 1.72198662759587 3.373 0.9954 3119869 ChemDiv3_004137 CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c4ccccc24)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M02 compound treatment -1.28 -1.15 -1.64 0.261 0.332 0.66 -0.688 -0.637938564026647 -1.22868701442832 -1.2749 -0.5933 3023448 ChemDiv3_004138 CN1C(=O)C(=Cc2cn(CC=C)c3ccccc23)C(=O)N(C)C1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M03 compound treatment -2.048 -1.92 -2.73 -1.968 -1.9 -3.74 -2.13 -2.07993856402665 -4.0060182101195 -6.0498 -0.9878 3023450 ChemDiv3_004139 CCc1cccc2c1NC(=O)C32OCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M04 compound treatment 2.898 3.03 2.28 2.123 2.19 2.83 -0.716 -0.665938564026647 -1.2826157755097 2.2103 0.5734 1912757 ChemDiv3_004140 Cc1cc2/C(=C/c3ccco3)/OC(=O)c2c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M05 compound treatment -0.227 -0.0976 -0.14 -0.136 -0.0646 -0.13 -0.346 -0.295938564026647 -0.569985718362869 -0.4828 -0.8042 3119870 ChemDiv3_004141 CCSC1=N/C(=C\c2ccc(cc2)C(=O)O)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M06 compound treatment -1.539 -1.41 -2.0 -1.208 -1.14 -2.24 -1.451 -1.40093856402665 -2.69824575389598 -4.0106 -0.9924 3023453 ChemDiv3_004142 O=C(COc1ccccc1)N2CCN=C2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M07 compound treatment -0.703 -0.574 -0.82 -0.321 -0.25 -0.49 -0.478 -0.427938564026647 -0.824221306317956 -1.2312 -0.9773 1181595 ChemDiv3_004143 CCC(=O)N1C(Oc2nc(SC)nnc2-c3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M08 compound treatment 0.217 0.346 0.49 -0.393 -0.322 -0.63 -0.968 -0.917938564026647 -1.76797462524214 -1.103 -0.5679 1618375 ChemDiv3_004144 S=C1NC(C2=C(N1)c3ccccc3CC2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M09 compound treatment -0.012 0.117 0.17 0.218 0.289 0.57 -0.103 -0.052938564026647 -0.101961113263732 0.3675 0.6083 3023457 ChemDiv3_004145 CCCCN1C(=O)/C(=C/2\S/C(=N\c3ccc(Cl)cc3)/N(C)C2=O)/c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M10 compound treatment -1.02 -0.891 -1.27 -0.15 -0.0786 -0.16 -0.283 -0.232938564026647 -0.44864600592976 -1.0796 -0.7984 3119871 ChemDiv3_004146 O=C(NCCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M11 compound treatment -0.28 -0.151 -0.21 -1.214 -1.14 -2.26 -1.803 -1.75293856402665 -3.37620732177622 -3.3754 -0.8301 1406185 ChemDiv3_004147 Cc1cc(C)c2c(N=NN3CCCCCC3)n[nH]c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M12 compound treatment 0.063 0.192 0.27 -2.844 -2.77 -5.47 -1.287 -1.23693856402665 -2.3823772961336 -4.3782 -0.7326 3119872 ChemDiv3_004148 Cc1cc(Br)ccc1NCc2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M13 compound treatment -0.462 -0.333 -0.47 -0.446 -0.375 -0.74 -0.15 -0.099938564026647 -0.192484390793195 -0.8111 -0.9026 1438334 ChemDiv3_004149 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCCc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M14 compound treatment -2.361 -2.23 -3.17 -0.586 -0.515 -1.02 -1.597 -1.54693856402665 -2.97944572239176 -4.1386 -0.926 3023462 ChemDiv3_004150 CN1C(=C(Nc2ccccc2C)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M15 compound treatment -1.736 -1.61 -2.28 -0.934 -0.863 -1.7 -0.987 -0.936938564026647 -1.80456914169022 -3.344 -0.9915 1567678 ChemDiv3_004151 COc1ccc(cc1)C2=NN(C(C2)c3ccc(C)cc3)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M16 compound treatment -0.533 -0.404 -0.57 -0.802 -0.731 -1.44 -0.631 -0.580938564026647 -1.11890346508408 -1.8101 -0.9459 3023506 ChemDiv3_004152 OC(=O)CP(=S)(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M17 compound treatment 0.756 0.885 1.26 0.687 0.758 1.5 0.827 0.877061435973353 1.68924416551074 2.5667 0.993 1339249 ChemDiv3_004153 CCSC(=S)NC1CCS(=O)(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M18 compound treatment -0.397 -0.268 -0.38 0.122 0.193 0.38 0.0 0.050061435973353 0.096419686428495 0.0565 0.1032 3119873 ChemDiv3_004154 CCN1C2=C(C(C3=C1CCCC3=O)c4cccc(O)c4)C(=O)CCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M19 compound treatment -0.556 -0.427 -0.61 -0.135 -0.0636 -0.13 -0.457 -0.406938564026647 -0.78377473550692 -0.8751 -0.8761 1468946 ChemDiv3_004155 CN(C1CCS(=O)(=O)C1)C(=S)SC2CS(=O)(=O)C=C2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M20 compound treatment -0.244 -0.115 -0.16 -0.537 -0.466 -0.92 -0.815 -0.764938564026647 -1.47329246647602 -1.4754 -0.8459 1541732 ChemDiv3_004156 COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2C)c4ccccc4)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M21 compound treatment -0.195 -0.0656 -0.09 0.0 0.0714 0.14 0.193 0.243061435973353 0.468142932453736 0.2979 0.5985 1306134 ChemDiv3_004157 CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M22 compound treatment 0.133 0.262 0.37 -0.016 0.0554 0.11 0.395 0.445061435973353 0.857200423112278 0.7735 0.8218 3119874 ChemDiv3_004158 CC1CN(CC(C)O1)C2=NC(=O)/C(=C/c3ccccc3)/S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M23 mock treatment -1.267 -1.14 -1.62 -0.561 -0.49 -0.97 -0.803 -0.752938564026647 -1.45018014029828 -2.3292 -0.9796 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 M24 mock treatment -2.28 -2.15 -3.06 -0.5 -0.429 -0.85 0.06 0.110061435973353 0.211981317317171 -2.1315 -0.6704 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N01 compound treatment -0.864 -0.735 -1.04 0.052 0.123 0.24 0.114 0.164061435973353 0.315986785116979 -0.2798 -0.2503 3023511 ChemDiv3_004159 O=C1S/C(=C\c2ccc(o2)N3CCOCC3)/C(=O)N1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N02 compound treatment -0.762 -0.633 -0.9 -0.365 -0.294 -0.58 -0.211 -0.160938564026647 -0.309972048863349 -1.0329 -0.9272 3119875 ChemDiv3_004160 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N03 compound treatment -1.366 -1.24 -1.76 -0.016 0.0554 0.11 -1.388 -1.33793856402665 -2.57690604146287 -2.4397 -0.7816 3023512 ChemDiv3_004161 C1CCC2=C(C1)SC3=C(CCCC3)C2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N04 compound treatment -0.775 -0.646 -0.92 0.185 0.256 0.51 -0.095 -0.044938564026647 -0.0865528958119085 -0.2876 -0.2734 1863423 ChemDiv3_004162 CSc1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N05 compound treatment -0.134 -0.00459 -0.01 0.509 0.58 1.15 0.556 0.606061435973353 1.16729079933023 1.3319 0.8142 3023514 ChemDiv3_004163 O=C(ON1C(=O)c2ccccc2C1=O)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N06 compound treatment -0.29 -0.161 -0.23 -0.033 0.0384 0.08 -0.453 -0.402938564026647 -0.776070626781008 -0.5361 -0.6598 1713635 ChemDiv3_004164 COC(=O)C1=C(C)Nc2c(C1c3cccc(OCc4ccccc4)c3)c(=O)n(C)c(=O)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N07 compound treatment -0.909 -0.78 -1.11 -0.156 -0.0846 -0.17 -0.351 -0.300938564026647 -0.579615854270259 -1.071 -0.8487 3023519 ChemDiv3_004165 CCCCS(=O)(=O)N=C1NCN(CCO)CN1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N08 compound treatment -0.816 -0.687 -0.98 -0.479 -0.408 -0.8 -0.711 -0.660938564026647 -1.27298563960231 -1.7632 -0.9824 3119876 ChemDiv3_004166 CC(C)(C)C1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N09 compound treatment -0.046 0.0834 0.12 0.211 0.282 0.56 0.597 0.647061435973353 1.24625791377082 1.11 0.8099 3119877 ChemDiv3_004167 CCOC(=O)c1c(NC(=O)CC2S/C(=N\CC)/N(CC)C2=O)sc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N10 compound treatment 0.733 0.862 1.23 -0.367 -0.296 -0.58 0.108 0.158061435973353 0.304430622028112 0.5467 0.3929 3023583 ChemDiv3_004168 COc1ccc(CNC(=N)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N11 compound treatment -0.032 0.0974 0.14 -0.639 -0.568 -1.12 -0.379 -0.328938564026647 -0.633544615351641 -0.9328 -0.7205 1550858 ChemDiv3_004169 CC1CCN(CC1)c2nnc(c3cccs3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N12 compound treatment 1.747 1.88 1.97 0.143 0.214 0.42 0.086 0.136061435973353 0.262058024035597 1.5331 0.7545 1484112 ChemDiv3_004170 O=S(=O)(Nc1nc2ccccc2nc1NCCC3=CCCCC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N13 compound treatment -1.418 -1.29 -1.83 -0.556 -0.485 -0.96 -0.394 -0.343938564026647 -0.66243502307381 -1.9926 -0.9181 1570344 ChemDiv3_004171 CCc1nc(n2nnc3cc(C)c(C)cc23)c4c5CCCCc5sc4n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N14 compound treatment -0.707 -0.578 -0.82 0.143 0.214 0.42 -0.278 -0.227938564026647 -0.43901587002237 -0.4831 -0.4723 1352096 ChemDiv3_004172 CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N15 compound treatment -1.2 -1.07 -1.52 -0.226 -0.155 -0.31 -0.303 -0.252938564026647 -0.487166549559318 -1.3363 -0.8213 1652261 ChemDiv3_004173 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)N(CO)c4ccccc43)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N16 compound treatment -0.662 -0.533 -0.76 -0.016 0.0554 0.11 -0.447 -0.396938564026647 -0.76451446369214 -0.8154 -0.7539 3023589 ChemDiv3_004174 CC(C)(C)c1cc2oc3CCCCc3c2c(/C=N/Cc4ccncc4)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N17 compound treatment -1.062 -0.933 -1.33 -0.548 -0.477 -0.94 -0.748 -0.697938564026647 -1.344248645317 -2.0849 -0.9883 1176412 ChemDiv3_004175 Cc1onc(c1C(=O)NC(=S)NCc2ccco2)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N18 compound treatment -0.269 -0.14 -0.2 -0.141 -0.0696 -0.14 -0.083 -0.032938564026647 -0.0634405696341733 -0.2305 -0.9237 1286690 ChemDiv3_004176 CC1(C)CC(CC(=O)N2CCOCC2)(CCO1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N19 compound treatment -1.618 -1.49 -2.12 -0.783 -0.712 -1.4 -1.474 -1.42393856402665 -2.74254437906998 -3.6165 -0.9674 1350975 ChemDiv3_004177 Cc1nn(C(=O)c2cccnc2)c(c1Sc3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N20 compound treatment -3.0 -2.87 -4.08 -2.586 -2.51 -4.97 -3.0 -2.94993856402665 -5.6816618580053 -8.5032 -0.9912 3119878 ChemDiv3_004178 CCCN(CCC)CN1CC(Cn2c3ccccc3c4ccccc24)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N21 compound treatment -0.673 -0.544 -0.77 -0.214 -0.143 -0.28 0.009 0.059061435973353 0.113753931061796 -0.5431 -0.654 1867988 ChemDiv3_004179 CC1CC(c2ccccc2)c3cc(C)ccc3N1S(=O)(=O)c4cccc(Cl)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N22 compound treatment -2.855 -2.73 -3.88 -0.672 -0.601 -1.19 -3.202 -3.15193856402665 -6.07071934866384 -6.4269 -0.8805 3119879 ChemDiv3_004180 Clc1ccc(cc1)C(=O)NC(=N)NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N23 mock treatment 0.113 0.242 0.34 -0.621 -0.55 -1.09 -0.025 0.025061435973353 0.0482690068915467 -0.3996 -0.3507 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 N24 mock treatment 0.204 0.333 0.47 -1.013 -0.942 -1.86 -0.909 -0.858938564026647 -1.65433902153494 -1.7548 -0.6927 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O01 compound treatment -0.585 -0.456 -0.65 -0.06 0.0114 0.02 -0.086 -0.035938564026647 -0.0692186511786071 -0.4009 -0.615 3023594 ChemDiv3_004181 CSc1nnc(c(O)n1)c2ccccc2N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O02 compound treatment -0.76 -0.631 -0.9 -0.045 0.0264 0.05 -0.122 -0.071938564026647 -0.138555629711813 -0.5675 -0.6245 3119880 ChemDiv3_004182 NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O03 compound treatment 0.048 0.177 0.25 -0.311 -0.24 -0.47 -0.185 -0.134938564026647 -0.259895342144922 -0.2775 -0.4658 3023659 ChemDiv3_004183 CCc1ccc2NC(=O)/C(=C/3\NC(=S)NC3=O)/c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O04 compound treatment 0.705 0.834 1.19 0.698 0.769 1.52 0.284 0.334061435973353 0.643411405968228 1.9336 0.9515 1537162 ChemDiv3_004184 COCc1cc(C)nc2sc(C(=O)N)c(N)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O05 compound treatment -0.258 -0.129 -0.18 0.113 0.184 0.36 0.169 0.219061435973353 0.421918280098265 0.3483 0.5938 3023662 ChemDiv3_004185 COc1cccc(/C=C/2\N=C(SC)SC2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O06 compound treatment -0.633 -0.504 -0.72 -0.67 -0.599 -1.18 -0.627 -0.576938564026647 -1.11119935635817 -1.7373 -0.9797 3119881 ChemDiv3_004186 COc1cc(OC)cc(c1)C(=O)N2CCN=C2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O07 compound treatment 1.467 1.6 1.86 1.19 1.26 2.28 0.662 0.712061435973353 1.37144968056689 3.1821 0.9801 3023663 ChemDiv3_004187 CCN(CC)c1ccc(/C=C/2\N(C)C(=N)NC2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O08 compound treatment 0.01 0.139 0.2 -0.012 0.0594 0.12 -0.024 0.026061435973353 0.0501950340730246 0.2112 0.8957 3119882 ChemDiv3_004188 CC(O)CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Br)cc3)/C(=C(C#N)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O09 compound treatment -0.364 -0.235 -0.33 -0.239 -0.168 -0.33 -0.2 -0.149938564026647 -0.288785749867091 -0.5503 -0.9979 3023665 ChemDiv3_004189 CSC1=N/C(=C\c2ccc(Br)cc2)/C(=O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O10 compound treatment -0.176 -0.0466 -0.07 -0.507 -0.436 -0.86 -0.209 -0.158938564026647 -0.306119994500393 -0.7115 -0.7774 1520777 ChemDiv3_004190 CN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)NC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O11 compound treatment -1.087 -0.958 -1.36 -1.015 -0.944 -1.86 -0.009 0.041061435973353 0.0790854417951936 -1.816 -0.7865 1527053 ChemDiv3_004191 O=C(CN1CC(=O)Oc2ccccc12)OCC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O12 compound treatment -1.626 -1.5 -2.13 -3.233 -3.16 -6.24 -0.54 -0.489938564026647 -0.943634991569588 -5.3774 -0.8071 3120033 ChemDiv3_004192 CCn1c2ccccc2c3cc(CNCCc4ccc(Cl)cc4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O13 compound treatment -0.593 -0.464 -0.66 -0.357 -0.286 -0.56 -0.38 -0.329938564026647 -0.635470642533119 -1.073 -0.9979 1472912 ChemDiv3_004193 O=C(NC1(CCCCC1)C#N)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O14 compound treatment -0.3 -0.171 -0.24 -0.387 -0.316 -0.62 -0.685 -0.634938564026647 -1.22290893288389 -1.2058 -0.8652 3120034 ChemDiv3_004194 CCCN(CCC)C1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O15 compound treatment -0.703 -0.574 -0.82 0.031 0.102 0.2 -0.344 -0.293938564026647 -0.566133663999913 -0.6809 -0.6721 3120035 ChemDiv3_004195 CS(=O)(=O)N1N=C(CC1c2cc3ccccc3nc2Cl)c4ccc(Br)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O16 compound treatment 0.49 0.619 0.88 0.226 0.297 0.59 0.0 0.050061435973353 0.096419686428495 0.9032 0.8497 1484690 ChemDiv3_004196 OC(=O)CCNc1ncnc2sc3CCCCc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O17 compound treatment 0.988 1.12 1.59 0.772 0.843 1.67 0.227 0.277061435973353 0.533627856623985 2.1868 0.9256 3120036 ChemDiv3_004197 C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O18 compound treatment 0.403 0.532 0.76 0.508 0.579 1.14 0.2 0.250061435973353 0.481625122724081 1.3757 0.9462 1564957 ChemDiv3_004198 CCOc1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O19 compound treatment -2.759 -2.63 -3.74 -1.554 -1.48 -2.93 -1.894 -1.84393856402665 -3.55147579529071 -5.8991 -0.9949 3023723 ChemDiv3_004199 CC1=CS(=O)(=O)CC1Sc2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O20 compound treatment -1.38 -1.25 -1.78 -0.698 -0.627 -1.24 -0.721 -0.670938564026647 -1.29224591141709 -2.4869 -0.986 1479636 ChemDiv3_004200 Cc1oc(cc1COc2ccc3c4CCCCc4c(=O)oc3c2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O21 compound treatment -0.1 0.0294 0.04 0.037 0.108 0.21 -0.521 -0.470938564026647 -0.907040475121507 -0.3759 -0.403 3023725 ChemDiv3_004201 Cc1nc2sc3CCCCc3c2c4nnc(SCC(=O)c5ccccc5)n14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O22 compound treatment -0.25 -0.121 -0.17 0.549 0.62 1.23 0.0 0.050061435973353 0.096419686428495 0.664 0.5351 3120037 ChemDiv3_004202 CC1CCC2(CC1)NN(C(=S)N2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O23 mock treatment -0.121 0.00841 0.01 -0.181 -0.11 -0.22 0.034 0.084061435973353 0.161904610598745 -0.0245 -0.0907 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 O24 mock treatment -1.121 -0.992 -1.41 -1.958 -1.89 -3.73 -0.327 -0.276938564026647 -0.533391201914789 -3.2726 -0.8144 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P01 compound treatment -0.019 0.11 0.16 -0.039 0.0324 0.06 0.063 0.113061435973353 0.217759398861605 0.2533 0.9179 3120038 ChemDiv3_004203 COCCN1C(=O)N(C(=O)/C(=C\c2cc(C)n(c2C)c3ccncc3)/C1=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P02 compound treatment -0.312 -0.183 -0.26 -0.372 -0.301 -0.59 -0.141 -0.090938564026647 -0.175150146159893 -0.5936 -0.8847 3023728 ChemDiv3_004204 CCc1c(C)[n+]([O-])c2CCCCCc2[n+]1[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P03 compound treatment -1.419 -1.29 -1.83 -1.485 -1.41 -2.79 -1.607 -1.55693856402665 -2.99870599420654 -4.4013 -0.9806 3023729 ChemDiv3_004205 COC(=O)c1ccc(OCC(O)Cn2c(C)[n+](C)c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P04 compound treatment -1.016 -0.887 -1.26 -0.235 -0.164 -0.32 -0.076 -0.025938564026647 -0.0499583793638278 -0.9431 -0.7242 3120039 ChemDiv3_004206 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P05 compound treatment -0.125 0.00441 0.01 0.583 0.654 1.29 0.521 0.571061435973353 1.0998798479785 1.3847 0.816 3023733 ChemDiv3_004207 O=C(ON1C(=O)c2ccccc2C1=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P06 compound treatment -0.127 0.00241 0.0 -0.278 -0.207 -0.41 -0.4 -0.349938564026647 -0.673991186162678 -0.6226 -0.7903 1192417 ChemDiv3_004208 COc1cc(cc(OC)c1OC)C2C3=C(CCCC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P07 compound treatment -0.667 -0.538 -0.76 -0.369 -0.298 -0.59 -0.434 -0.383938564026647 -0.739476110332927 -1.2074 -0.9938 3120040 ChemDiv3_004209 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C2NCN(CCOC(=O)c3ccccc3)CN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P08 compound treatment 0.024 0.153 0.22 0.216 0.287 0.57 0.515 0.565061435973353 1.08832368488963 1.0819 0.8679 3023735 ChemDiv3_004210 COC(=O)c1c(C)nn(c1NC(=O)C(C)Oc2ccc(Cl)cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P09 compound treatment 0.382 0.511 0.73 -0.59 -0.519 -1.02 -0.577 -0.526938564026647 -1.01489799728427 -0.7573 -0.469 1521251 ChemDiv3_004211 Cc1cc2nnn(c3nc(C)nc4sc5CCCCc5c34)c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P10 compound treatment -0.627 -0.498 -0.71 -0.261 -0.19 -0.37 0.067 0.117061435973353 0.225463507587516 -0.4944 -0.5945 3023737 ChemDiv3_004212 CSc1nc(C)cc(NC(=O)N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P11 compound treatment -0.105 0.0244 0.03 -1.014 -0.943 -1.86 -0.228 -0.177938564026647 -0.342714510948473 -1.2523 -0.6617 1165643 ChemDiv3_004213 CC(C)(C)c1ccc(cc1)c2cc3ccccn3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P12 compound treatment -0.426 -0.297 -0.42 -0.803 -0.732 -1.44 -1.088 -1.03793856402665 -1.9990978870195 -2.2316 -0.8919 1379043 ChemDiv3_004214 Fc1ccccc1Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P13 compound treatment 0.462 0.591 0.84 0.5 0.571 1.13 0.734 0.784061435973353 1.5101236376333 2.0088 0.9732 3120041 ChemDiv3_004215 Cc1cc(C(=O)CSc2ncnc3sc4CCCCc4c23)c(C)n1Cc5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P14 compound treatment -0.827 -0.698 -0.99 -0.574 -0.503 -0.99 -0.667 -0.616938564026647 -1.18824044361729 -1.8316 -0.9962 3024070 ChemDiv3_004216 CN1C(=O)/C(=C/Nc2cccc(Cl)c2)/c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P15 compound treatment -0.594 -0.465 -0.66 -1.479 -1.41 -2.78 -1.273 -1.22293856402665 -2.35541291559291 -3.3459 -0.9037 1257595 ChemDiv3_004217 OC(=O)CSc1nnc-2c(OC3(CCCC3)Nc4ccccc42)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P16 compound treatment -1.109 -0.98 -1.39 -1.031 -0.96 -1.89 -0.419 -0.368938564026647 -0.710585702610758 -2.3083 -0.9396 3024074 ChemDiv3_004218 CN1C(=O)/C(=C\Nc2cccc(CO)c2)/c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P17 compound treatment -0.879 -0.75 -1.07 -0.34 -0.269 -0.53 -0.212 -0.161938564026647 -0.311898076044827 -1.1015 -0.8951 3120042 ChemDiv3_004219 Cc1ccc(Oc2ncnc3sccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P18 compound treatment 0.023 0.152 0.22 -2.058 -1.99 -3.92 -2.338 -2.28793856402665 -4.40663186386691 -4.6837 -0.7934 3024079 ChemDiv3_004220 CC1=N/C(=C/c2cc3ccccc3nc2Sc4ccc(C)cc4)/C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P19 compound treatment -0.594 -0.465 -0.66 -0.267 -0.196 -0.39 -0.423 -0.372938564026647 -0.71828981133667 -1.019 -0.971 1244804 ChemDiv3_004221 COc1ccc(cc1OC)C(=O)Nn2c(C)nnc2n3nc(C)cc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P20 compound treatment -2.059 -1.93 -2.74 -1.46 -1.39 -2.74 -0.924 -0.873938564026647 -1.68322942925711 -4.1387 -0.9789 3120043 ChemDiv3_004222 CC(C)CN(CC(C)C)CN1CC(COc2ccccc2C)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P21 compound treatment 0.696 0.825 1.17 0.23 0.301 0.6 -0.109 -0.058938564026647 -0.1135172763526 0.9556 0.7236 3023284 ChemDiv3_004223 COC(=O)C1=CN(C=C(C1c2cccc(OC)c2)C(=O)OC)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P22 compound treatment -0.659 -0.53 -0.75 0.288 0.359 0.71 0.298 0.348061435973353 0.670375786508919 0.3621 0.2937 1820755 ChemDiv3_004224 O=C(CSc1nnnn1c2ccccc2)N3c4ccccc4CCc5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P23 mock treatment -0.051 0.0784 0.11 0.257 0.328 0.65 -0.01 0.040061435973353 0.0771594146137157 0.4833 0.7295 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2012 P24 mock treatment -0.567 -0.438 -0.62 -0.406 -0.335 -0.66 -0.597 -0.546938564026647 -1.05341854091383 -1.3488 -0.9701 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A01 compound treatment -1.043 -0.914 -1.3 0.038 0.109 0.22 -0.155 -0.104938564026647 -0.202114526700584 -0.7419 -0.5569 3027680 ChemDiv3_007041 FC(F)(F)c1cc(nc(SCCCC(=O)NC2CCCC2)n1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A02 compound treatment -0.5 -0.371 -0.53 -0.543 -0.472 -0.93 -0.411 -0.360938564026647 -0.695177485158935 -1.2431 -0.9743 3118293 ChemDiv3_007042 CC(C)CCNC(=O)c1c(C)oc2C(=O)c3ccccc3C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A03 compound treatment -0.92 -0.791 -1.12 -0.46 -0.389 -0.77 -0.253 -0.202938564026647 -0.390865190485422 -1.3176 -0.9305 1788862 ChemDiv3_007043 O=C(Nc1cccnc1)c2nc3ncccn3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A04 compound treatment -0.455 -0.326 -0.46 -0.634 -0.563 -1.11 -0.351 -0.300938564026647 -0.579615854270259 -1.2432 -0.9308 1875739 ChemDiv3_007044 OC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)NC(=O)c4cccc(c2)c43)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A05 compound treatment -0.931 -0.802 -1.14 -0.295 -0.224 -0.44 -1.744 -1.69393856402665 -3.26257171806902 -2.7965 -0.8027 3027681 ChemDiv3_007045 COC(=O)CSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A06 compound treatment -0.729 -0.6 -0.85 -0.064 0.00744 0.01 -0.371 -0.320938564026647 -0.618136397899818 -0.8406 -0.7982 3118294 ChemDiv3_007046 COc1ccc2[nH]c(SCc3cnc(C)nc3N)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A07 compound treatment -0.379 -0.25 -0.35 -0.18 -0.109 -0.21 -0.446 -0.395938564026647 -0.762588436510663 -0.7689 -0.8859 3027682 ChemDiv3_007047 CCSC1=C(C#N)C(=O)NC(CO)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A08 compound treatment -0.432 -0.303 -0.43 -0.368 -0.297 -0.59 -0.408 -0.357938564026647 -0.689399403614501 -0.9845 -0.9829 3118295 ChemDiv3_007048 Clc1ccc(cc1)C2C3=C(Nc4ccccc4S2(=O)=O)c5ccccc5C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A09 compound treatment -0.306 -0.177 -0.25 0.475 0.546 1.08 0.16 0.210061435973353 0.404584035464964 0.7116 0.6034 3118296 ChemDiv3_007049 CC1(C)OC[C@H](O1)[C@H](O)P(=O)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A10 compound treatment -0.664 -0.535 -0.76 -0.609 -0.538 -1.06 -0.28 -0.229938564026647 -0.442867924385326 -1.3073 -0.9483 3027683 ChemDiv3_007050 CC(C)N1CNC(=NC1)Nc2nc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A11 compound treatment -0.692 -0.563 -0.8 -0.714 -0.643 -1.27 -0.959 -0.908938564026647 -1.75064038060884 -2.2051 -0.9565 3118297 ChemDiv3_007051 CCOc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)N4C(C)CCCC4C)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A12 compound treatment -0.586 -0.457 -0.65 -1.088 -1.02 -2.01 -0.244 -0.193938564026647 -0.37353094585212 -1.7493 -0.8165 3027684 ChemDiv3_007052 CC(C)CCN1C(=O)c2ccc(cc2C1=O)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A13 compound treatment 0.215 0.344 0.49 -0.365 -0.294 -0.58 -0.838 -0.787938564026647 -1.51759109165001 -0.9281 -0.547 3118298 ChemDiv3_007053 CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A14 compound treatment -0.689 -0.56 -0.8 -0.691 -0.62 -1.22 -0.667 -0.616938564026647 -1.18824044361729 -1.8517 -0.9839 1748461 ChemDiv3_007054 CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc23)nc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A15 compound treatment -1.286 -1.16 -1.64 -0.774 -0.703 -1.39 -0.696 -0.645938564026647 -1.24409523188015 -2.4686 -0.9933 3027685 ChemDiv3_007055 COc1ccc(cc1)N2CCc3c2n4c5ccccc5nc4c(C#N)c3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A16 compound treatment -1.41 -1.28 -1.82 -0.735 -0.664 -1.31 -0.163 -0.112938564026647 -0.217522744152408 -1.9332 -0.8578 3118299 ChemDiv3_007056 O=C(CSc1nc2ccccc2nc1N3CCOCC3)NCc4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A17 compound treatment -0.667 -0.538 -0.76 -0.119 -0.0476 -0.09 -0.868 -0.817938564026647 -1.57537190709435 -1.4051 -0.8013 3027686 ChemDiv3_007057 Cn1c(=O)[nH]c(=O)c2n(CC=C)cnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A18 compound treatment -0.934 -0.805 -1.14 0.087 0.158 0.31 0.183 0.233061435973353 0.448882660638956 -0.2207 -0.174 3118300 ChemDiv3_007058 Oc1ccc2c(CSc3cccc4cccnc34)cc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A19 compound treatment -0.045 0.0844 0.12 0.1 0.171 0.34 0.24 0.290061435973353 0.558666209983199 0.5873 0.8842 1612422 ChemDiv3_007059 Cc1cc(O)nc(SCc2cn3c(C)cc(C)nc3n2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A20 compound treatment -0.081 0.0484 0.07 -0.393 -0.322 -0.63 -0.495 -0.444938564026647 -0.856963768403081 -0.8216 -0.7687 3027740 ChemDiv3_007060 CN(C)C1=NC(N=C(O1)c2ccccc2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A21 compound treatment -0.427 -0.298 -0.42 0.0 0.0714 0.14 -0.049 0.00106143597335299 0.00204435453607635 -0.1617 -0.3625 3118301 ChemDiv3_007061 S1C(C(=Nc2ccccc12)c3ccccc3)c4nc5ccccc5[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A22 compound treatment -0.459 -0.33 -0.47 -0.292 -0.221 -0.44 -0.132 -0.081938564026647 -0.157815901526592 -0.6131 -0.9305 3027741 ChemDiv3_007062 CN(C)C1=NC(c2c(C)nn(c2O1)c3ccccc3)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A23 mock treatment -1.659 -1.53 -2.17 -0.123 -0.0516 -0.1 0.28 0.330061435973353 0.635707297242316 -0.9473 -0.4177 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 A24 mock treatment -1.675 -1.55 -2.2 0.017 0.0884 0.17 0.026 0.076061435973353 0.146496393146921 -1.0833 -0.4904 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B01 compound treatment 0.742 0.871 1.24 1.424 1.5 2.46 0.824 0.874061435973353 1.68346608396631 3.1055 0.9628 1198210 ChemDiv3_007063 Oc1c(ccc2cccnc12)C(N3CCCC3)c4ccncc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B02 compound treatment -1.24 -1.11 -1.58 -0.377 -0.306 -0.6 -0.528 -0.477938564026647 -0.920522665391853 -1.7914 -0.9307 1284982 ChemDiv3_007064 OCCNC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B03 compound treatment -1.554 -1.42 -2.03 -0.868 -0.797 -1.57 -0.794 -0.743938564026647 -1.43284589566498 -2.9047 -0.9888 1247906 ChemDiv3_007065 CC(C)C(c1c(C)[nH]c2ccccc12)c3c(C)[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B04 compound treatment -1.985 -1.86 -2.64 -1.82 -1.75 -3.45 -2.928 -2.87793856402665 -5.54298790093889 -6.7168 -0.9537 3027742 ChemDiv3_007066 Cc1ccc(NC(=O)CSC(=N)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B05 compound treatment -0.918 -0.789 -1.12 -0.491 -0.42 -0.83 -0.561 -0.510938564026647 -0.984081562380625 -1.6938 -0.9926 3118302 ChemDiv3_007067 COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B06 compound treatment -0.481 -0.352 -0.5 -0.174 -0.103 -0.2 -0.304 -0.253938564026647 -0.489092576740796 -0.6879 -0.9448 1627380 ChemDiv3_007068 CCN(CC)Cn1cnc2c(SC)ncnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B07 compound treatment -0.747 -0.618 -0.88 -0.191 -0.12 -0.24 -0.603 -0.552938564026647 -1.0649747040027 -1.2581 -0.8984 3118303 ChemDiv3_007069 CC1(C)C2(C)CCC1(C(=O)O)c3nc4ccc5ncccc5c4nc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B08 compound treatment -1.667 -1.54 -2.19 -0.892 -0.821 -1.62 -0.92 -0.869938564026647 -1.6755253205312 -3.1649 -0.9904 3027743 ChemDiv3_007070 Clc1ccc(CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B09 compound treatment -1.506 -1.38 -1.96 -0.278 -0.207 -0.41 -0.646 -0.595938564026647 -1.14779387280625 -2.0282 -0.8798 3118304 ChemDiv3_007071 Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N3CCc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B10 compound treatment -0.664 -0.535 -0.76 -0.391 -0.32 -0.63 -0.017 0.033061435973353 0.0636772243433702 -0.7664 -0.7742 1618272 ChemDiv3_007072 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3OC(C)(C)Oc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B11 compound treatment 0.345 0.474 0.67 0.085 0.156 0.31 0.0 0.050061435973353 0.096419686428495 0.6234 0.8333 3027744 ChemDiv3_007073 Cc1ccc(cc1)S(=O)(=O)c2nc(c(NCc3ccco3)s2)S(=O)(=O)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B12 compound treatment -1.254 -1.12 -1.6 2.146 2.22 2.84 0.769 0.819061435973353 1.57753458898502 1.6283 0.4495 3118305 ChemDiv3_007074 COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B13 compound treatment -1.096 -0.967 -1.37 -0.726 -0.655 -1.29 -0.676 -0.625938564026647 -1.20557468825059 -2.2357 -0.9986 3118306 ChemDiv3_007075 COc1ccc(cc1)C2C(=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B14 compound treatment -1.086 -0.957 -1.36 -0.083 -0.0116 -0.02 -0.736 -0.685938564026647 -1.32113631913926 -1.5612 -0.8233 1516177 ChemDiv3_007076 O=C(NCc1ccc2OCOc2c1)c3ccc4c(=O)n(Cc5ccccc5)c(=S)[nH]c4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B15 compound treatment 0.139 0.268 0.38 0.311 0.382 0.76 0.324 0.374061435973353 0.720452493227345 1.0723 0.9649 3118307 ChemDiv3_007077 CN(C)CCn1c(C)cc2OC(=C(C#N)C(c3ccncc3)c2c1=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B16 compound treatment -0.293 -0.164 -0.23 0.414 0.485 0.96 -0.194 -0.143938564026647 -0.277229586778224 0.259 0.2528 3027745 ChemDiv3_007078 CCOc1ccc(NC(=O)CCNC(=O)c2cn(c3cccc(OC)c3)c(=O)c4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B17 compound treatment -1.35 -1.22 -1.74 -0.577 -0.506 -1.0 -0.912 -0.861938564026647 -1.66011710307938 -2.5367 -0.9754 3118308 ChemDiv3_007079 Fc1ccc(NP2(=O)COc3ccccc3OC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B18 compound treatment -0.364 -0.235 -0.33 -0.196 -0.125 -0.25 0.709 0.759061435973353 1.46197295809635 0.5095 0.3353 3118309 ChemDiv3_007080 CC1(C)CC(=O)C2=C(C1)N(CCN3CCOCC3)C4=C(C2c5cccc(Cl)c5)C(=O)CC(C)(C)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B19 compound treatment 3.81 3.94 2.43 1.149 1.22 2.25 1.7 1.75006143597335 2.53024737436619 4.162 0.9988 3027746 ChemDiv3_007081 CC[n+]1c(/C=C/2\SC=CN2C)cc(C)c3cc(OC)c4ccccc4c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B20 compound treatment 0.324 0.453 0.64 0.897 0.968 1.91 0.778 0.828061435973353 1.59486883361833 2.397 0.9319 3118310 ChemDiv3_007082 CCOC(=O)c1cnc2c(OC)cccc2c1N3CC(C)CC(C)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B21 compound treatment -0.96 -0.831 -1.18 -0.536 -0.465 -0.92 -0.634 -0.583938564026647 -1.12468154662851 -1.8607 -0.9945 3027747 ChemDiv3_007083 S(c1ccc(/C=N/c2cccc3ccccc23)o1)c4nnnn4c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B22 compound treatment -0.464 -0.335 -0.48 0.845 0.916 1.81 -0.375 -0.324938564026647 -0.625840506625729 0.4087 0.2072 3118432 ChemDiv3_007084 CCOc1ccc2n(CC)/c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B23 mock treatment 0.074 0.203 0.29 0.017 0.0884 0.17 0.0 0.050061435973353 0.096419686428495 0.3235 0.9207 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 B24 mock treatment -0.031 0.0984 0.14 0.766 0.837 1.65 0.057 0.107061435973353 0.206203235772737 1.1545 0.6904 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C01 compound treatment -0.113 0.0164 0.02 -0.091 -0.0196 -0.04 -0.478 -0.427938564026647 -0.824221306317956 -0.4847 -0.5872 3027748 ChemDiv3_007085 FC(F)(F)c1cc(nc(OCC(=O)NCC=C)n1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C02 compound treatment -0.507 -0.378 -0.54 -0.406 -0.335 -0.66 -0.069 -0.018938564026647 -0.0364761890934823 -0.7124 -0.8361 3118433 ChemDiv3_007086 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C03 compound treatment 1.31 1.44 1.78 -0.6 -0.529 -1.04 -0.444 -0.393938564026647 -0.758736382147707 -0.0113 -0.0052 1788886 ChemDiv3_007087 CCOC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc4CC(CC)CCc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C04 compound treatment -0.944 -0.815 -1.16 -0.6 -0.529 -1.04 -0.091 -0.040938564026647 -0.0788487870859968 -1.3167 -0.8435 3027749 ChemDiv3_007088 OC(=O)CCC(=O)N(Cc1cn(nc1c2cccnc2)c3ccccc3)Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C05 compound treatment -0.921 -0.792 -1.13 -0.49 -0.419 -0.83 -0.029 0.021061435973353 0.040564898165635 -1.1035 -0.79 3118434 ChemDiv3_007089 COC(=O)CSC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C06 compound treatment -0.654 -0.525 -0.75 -0.641 -0.57 -1.12 -0.747 -0.696938564026647 -1.34232261813552 -1.8549 -0.9745 3027750 ChemDiv3_007090 Cc1ccc(cc1)n2sc3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C07 compound treatment -1.683 -1.55 -2.21 -0.234 -0.163 -0.32 -0.758 -0.707938564026647 -1.36350891713178 -2.2478 -0.8594 3118435 ChemDiv3_007091 Oc1ccccc1C2NC(=O)C(=C(SCc3ccccc3)S2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C08 compound treatment -0.443 -0.314 -0.45 0.169 0.24 0.47 -0.059 -0.008938564026647 -0.017215917278703 0.0067 0.0103 3027751 ChemDiv3_007092 Cn1c2NCN(Cc2c(=O)n(C)c1=O)C3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C09 compound treatment -0.797 -0.668 -0.95 0.476 0.547 1.08 -0.29 -0.239938564026647 -0.462128196200105 -0.1907 -0.1262 1528851 ChemDiv3_007093 CCOc1cccc2cc(c3nc4ccccc4s3)c(=O)oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C10 compound treatment -0.404 -0.275 -0.39 -0.39 -0.319 -0.63 0.085 0.135061435973353 0.260131996854119 -0.4384 -0.5587 3118436 ChemDiv3_007094 C1NC(=NCN1C2CCCCCC2)Nc3nc4ccccc4s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C11 compound treatment -0.402 -0.273 -0.39 -0.085 -0.0136 -0.03 0.307 0.357061435973353 0.68771003114222 0.1578 0.1998 3027752 ChemDiv3_007095 CCN(CC)C(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C12 compound treatment -1.072 -0.943 -1.34 -1.079 -1.01 -1.99 -0.36 -0.309938564026647 -0.59695009890356 -2.267 -0.9171 3118437 ChemDiv3_007096 CCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C13 compound treatment -0.797 -0.668 -0.95 -0.625 -0.554 -1.09 -0.597 -0.546938564026647 -1.05341854091383 -1.7872 -0.9983 3118438 ChemDiv3_007097 COc1ccc(cc1)N2C(=O)CC(C2=O)c3cn(Cc4ccccc4)c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C14 compound treatment -1.125 -0.996 -1.42 -1.143 -1.07 -2.12 -1.236 -1.18593856402665 -2.28414990987823 -3.3576 -0.9817 3027753 ChemDiv3_007098 Nc1c(C#N)cnc2c(c(COc3ccccc3)nn12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C15 compound treatment -0.324 -0.195 -0.28 0.067 0.138 0.27 -0.475 -0.424938564026647 -0.818443224773522 -0.4744 -0.5236 3027754 ChemDiv3_007099 CC1=NNC(=O)C1CCc2ccncc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C16 compound treatment -0.286 -0.157 -0.22 -0.06 0.0114 0.02 0.03 0.080061435973353 0.154200501872833 -0.0265 -0.0974 3118439 ChemDiv3_007100 O=C(CSc1nc2ccccc2nc1N3CCOCC3)N4CCC5(CC4)OCCO5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C17 compound treatment -0.803 -0.674 -0.96 -0.231 -0.16 -0.32 -0.001 0.049061435973353 0.0944936592470171 -0.6803 -0.6718 3027755 ChemDiv3_007101 CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C18 compound treatment -2.4 -2.27 -3.23 -3.354 -3.28 -6.48 -3.418 -3.36793856402665 -6.48674121986308 -9.351 -0.9619 3118440 ChemDiv3_007102 CCCOc1ccc(cc1)/C(=N\O)/C(C)(C)NO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C19 compound treatment -1.097 -0.968 -1.38 -0.081 -0.00956 -0.02 -0.508 -0.457938564026647 -0.882002121762294 -1.3144 -0.8043 3118441 ChemDiv3_007103 CCS(=O)(=O)Nc1cccc(c1)C(=O)CC2(O)C(=O)Nc3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C20 compound treatment -1.797 -1.67 -2.37 -1.116 -1.04 -2.06 -1.069 -1.01893856402665 -1.96250337057141 -3.6927 -0.9967 3026802 ChemDiv3_007104 CC1=CC2=NC(NC(=O)N2C=C1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C21 compound treatment -0.469 -0.34 -0.48 0.408 0.479 0.95 -0.211 -0.160938564026647 -0.309972048863349 0.0888 0.0802 3026803 ChemDiv3_007105 CCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C22 compound treatment -0.39 -0.261 -0.37 -1.663 -1.59 -3.14 -0.188 -0.137938564026647 -0.265673423689356 -2.1817 -0.687 3118442 ChemDiv3_007106 CCC1=NC(C2=C(CC(C)(C)CC2=O)N1Cc3ccccc3)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C23 mock treatment 0.319 0.448 0.64 0.343 0.414 0.82 0.286 0.336061435973353 0.647263460331183 1.2142 0.9931 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 C24 mock treatment -1.194 -1.06 -1.51 -0.515 -0.444 -0.88 0.026 0.076061435973353 0.146496393146921 -1.295 -0.7379 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D01 compound treatment -1.052 -0.923 -1.31 -0.58 -0.509 -1.0 -0.646 -0.595938564026647 -1.14779387280625 -1.9998 -0.9941 1621903 ChemDiv3_007107 CN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D02 compound treatment -1.458 -1.33 -1.89 -1.91 -1.84 -3.63 -1.283 -1.23293856402665 -2.37467318740769 -4.5575 -0.9633 3026804 ChemDiv3_007108 Cc1ccsc1/C=N/c2ccc(Cl)cc2C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D03 compound treatment -0.439 -0.31 -0.44 0.119 0.19 0.38 0.164 0.214061435973353 0.412288144190876 0.201 0.2828 1681432 ChemDiv3_007109 Cc1ccc(cc1)C(=O)OC(c2ccccc2)c3nccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D04 compound treatment 0.214 0.343 0.49 0.456 0.527 1.04 0.746 0.796061435973353 1.53323596381103 1.7684 0.9226 1346036 ChemDiv3_007110 CCOc1nc(NC2CCCC2)nc(n1)N3CCC(C)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D05 compound treatment 0.272 0.401 0.57 0.803 0.874 1.73 0.671 0.721061435973353 1.38878392520019 2.1282 0.9301 3118443 ChemDiv3_007111 Cc1sc2N(CN(Cc2c1C)C(C)(C)C)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D06 compound treatment -2.368 -2.24 -3.18 0.038 0.109 0.22 -0.101 -0.050938564026647 -0.0981090589007761 -1.7695 -0.5544 1643537 ChemDiv3_007112 CCOC(=O)N1N=C(C)CC1(O)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D07 compound treatment -0.53 -0.401 -0.57 -0.28 -0.209 -0.41 -0.114 -0.063938564026647 -0.123147412259989 -0.6377 -0.8937 3118444 ChemDiv3_007113 O(c1ccc2nccnc2c1)c3ccc4nccnc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D08 compound treatment 0.43 0.559 0.8 0.43 0.501 0.99 0.321 0.371061435973353 0.714674411682911 1.4434 0.9905 3026805 ChemDiv3_007114 CN(C)c1ccc(cc1)c2nc(S)[nH]c(=O)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D09 compound treatment 0.328 0.457 0.65 -0.352 -0.281 -0.55 -0.309 -0.258938564026647 -0.498722712648186 -0.2323 -0.2348 3118445 ChemDiv3_007115 CN1CCN(CC1)C(=O)c2oc3CC(C)(C)CC(=O)c3c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D10 compound treatment -0.812 -0.683 -0.97 -0.886 -0.815 -1.61 0.306 0.356061435973353 0.685784003960742 -1.093 -0.5466 1345726 ChemDiv3_007116 CC(C)(C)N1NC2(CCCCC2)NC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D11 compound treatment -0.617 -0.488 -0.69 -1.525 -1.45 -2.87 -0.247 -0.196938564026647 -0.379309027396554 -2.2763 -0.7647 1384630 ChemDiv3_007117 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCOCC2)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D12 compound treatment -0.041 0.0884 0.13 -0.648 -0.577 -1.14 -0.871 -0.820938564026647 -1.58114998863878 -1.4976 -0.767 3118446 ChemDiv3_007118 Cc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D13 compound treatment -0.379 -0.25 -0.35 0.0 0.0714 0.14 0.078 0.128061435973353 0.246649806583774 0.019 0.0417 1444379 ChemDiv3_007119 COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D14 compound treatment -0.622 -0.493 -0.7 -0.685 -0.614 -1.21 -0.404 -0.353938564026647 -0.681695294888589 -1.4974 -0.962 1441733 ChemDiv3_007120 COc1ccc(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D15 compound treatment -0.429 -0.3 -0.43 0.456 0.527 1.04 0.132 0.182061435973353 0.350655274383582 0.5578 0.4733 3026806 ChemDiv3_007121 COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c4ccncc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D16 compound treatment -0.164 -0.0346 -0.05 -0.074 -0.00256 -0.01 0.089 0.139061435973353 0.267836105580031 0.1233 0.4528 3118447 ChemDiv3_007122 COc1ccccc1n2cc(C(=O)NCC(=O)NCC3COc4ccccc4O3)c5ccccc5c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D17 compound treatment -1.117 -0.988 -1.4 0.462 0.533 1.05 -0.286 -0.235938564026647 -0.454424087474193 -0.4649 -0.2564 3026807 ChemDiv3_007123 Clc1ccc(cc1)N2CCN(CC2)P3(=O)COc4ccccc4OC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D18 compound treatment -0.246 -0.117 -0.17 -0.795 -0.724 -1.43 -0.656 -0.605938564026647 -1.16705414462103 -1.5944 -0.8608 3118448 ChemDiv3_007124 Nc1cc(OC(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D19 compound treatment -0.567 -0.438 -0.62 -0.064 0.00744 0.01 -0.087 -0.036938564026647 -0.071144678360085 -0.3918 -0.6255 3026808 ChemDiv3_007125 COc1ccc2N(C)/C(=C/c3sc4ccccc4[n+]3C)/C=Cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D20 compound treatment -1.25 -1.12 -1.59 -0.015 0.0564 0.11 0.29 0.340061435973353 0.654967569057095 -0.4774 -0.2765 3118449 ChemDiv3_007126 CCOC(=O)c1cnc2ccc(OCC)cc2c1NC(C)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D21 compound treatment 0.081 0.21 0.3 -0.145 -0.0736 -0.15 -0.203 -0.152938564026647 -0.294563831411525 -0.0812 -0.1828 1344877 ChemDiv3_007127 O=C(C1CN(C(=O)C1)c2ccccc2)N(Cc3ccccc3)Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D22 compound treatment -0.69 -0.561 -0.8 -0.309 -0.238 -0.47 -0.059 -0.008938564026647 -0.017215917278703 -0.7409 -0.801 3026809 ChemDiv3_007128 CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)/sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D23 mock treatment -0.075 0.0544 0.08 0.146 0.217 0.43 0.088 0.138061435973353 0.265910078398553 0.4461 0.8731 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 D24 mock treatment -0.515 -0.386 -0.55 0.077 0.148 0.29 0.209 0.259061435973353 0.498959367357383 0.1408 0.1766 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E01 compound treatment -0.394 -0.265 -0.38 0.167 0.238 0.47 0.025 0.075061435973353 0.144570365965443 0.1381 0.2228 3118450 ChemDiv3_007129 CC1CCN(C(C)C1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E02 compound treatment -0.113 0.0164 0.02 0.032 0.103 0.2 -0.08 -0.029938564026647 -0.0576624880897395 0.0981 0.4595 3026810 ChemDiv3_007130 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NC4CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E03 compound treatment -0.987 -0.858 -1.22 -0.493 -0.422 -0.83 -0.646 -0.595938564026647 -1.14779387280625 -1.8472 -0.9878 3118451 ChemDiv3_007131 CN(C1CCCCC1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E04 compound treatment -0.716 -0.587 -0.83 -0.207 -0.136 -0.27 -0.11 -0.059938564026647 -0.115443303534077 -0.7027 -0.7954 3118452 ChemDiv3_007132 CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E05 compound treatment -0.544 -0.415 -0.59 -0.463 -0.392 -0.77 -0.769 -0.718938564026647 -1.38469521612803 -1.5862 -0.9375 3026811 ChemDiv3_007133 CCSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E06 compound treatment -1.485 -1.36 -1.93 -1.174 -1.1 -2.18 -1.243 -1.19293856402665 -2.29763210014857 -3.6962 -0.9974 3118573 ChemDiv3_007134 OC(=O)c1ccn(Cn2cnc3ccccc23)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E07 compound treatment -1.062 -0.933 -1.33 -0.28 -0.209 -0.41 -0.808 -0.757938564026647 -1.45981027620567 -1.8461 -0.9164 3026812 ChemDiv3_007135 CC1NC(=O)C(=C(SCc2ccccc2)S1)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E08 compound treatment -0.106 0.0234 0.03 -0.754 -0.683 -1.35 -1.31 -1.25993856402665 -2.4266759213076 -2.1599 -0.7781 3118574 ChemDiv3_007136 Clc1cccc(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E09 compound treatment -0.111 0.0184 0.03 0.075 0.146 0.29 0.15 0.200061435973353 0.385323763650185 0.4045 0.8385 3118575 ChemDiv3_007137 COc1ccc(cc1Cl)C2Nn3c(C)nnc3SC2C(=O)NCc4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E10 compound treatment -0.753 -0.624 -0.89 -0.436 -0.365 -0.72 -0.29 -0.239938564026647 -0.462128196200105 -1.1943 -0.9694 3026813 ChemDiv3_007138 Clc1ccc(SCc2cc(=O)[nH]c(n2)N3CCN(Cc4ccc5OCOc5c4)CC3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E11 compound treatment 0.123 0.252 0.36 -0.527 -0.456 -0.9 -0.764 -0.713938564026647 -1.37506508022064 -1.106 -0.6576 3118576 ChemDiv3_007139 Cc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCC4CCCO4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E12 compound treatment 0.029 0.158 0.23 -0.684 -0.613 -1.21 -0.411 -0.360938564026647 -0.695177485158935 -0.9696 -0.6862 3026814 ChemDiv3_007140 CCOC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E13 compound treatment -0.809 -0.68 -0.97 -0.754 -0.683 -1.35 -0.792 -0.741938564026647 -1.42899384130203 -2.161 -0.9872 3118577 ChemDiv3_007141 CC(C)CN1CC(CC1=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E14 compound treatment -0.086 0.0434 0.06 -0.125 -0.0536 -0.11 -0.099 -0.048938564026647 -0.0942570045378202 -0.0798 -0.5167 3026815 ChemDiv3_007142 Clc1ccc2OCC(=O)N(CC(=O)N3CCCC3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E15 compound treatment 0.243 0.372 0.53 -0.279 -0.208 -0.41 -0.305 -0.254938564026647 -0.491018603922274 -0.2144 -0.2582 1116771 ChemDiv3_007143 OC(=O)Cc1nc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E16 compound treatment -1.074 -0.945 -1.34 -0.895 -0.824 -1.63 0.098 0.148061435973353 0.285170350213332 -1.5496 -0.7281 3118578 ChemDiv3_007144 Clc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E17 compound treatment -0.09 0.0394 0.06 0.397 0.468 0.92 1.075 1.12506143597335 2.09170755735723 1.774 0.7754 1549546 ChemDiv3_007145 Cn1c(NCc2ccco2)nc3n(C)c(=O)n(C)c(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E18 compound treatment -0.329 -0.2 -0.28 -0.261 -0.19 -0.37 -0.377 -0.326938564026647 -0.629692560988685 -0.7435 -0.9464 3118579 ChemDiv3_007146 Cc1ccc2c(C)nc(NC(=N)NS(=O)(=O)c3ccccc3)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E19 compound treatment -0.774 -0.645 -0.92 0.022 0.0934 0.18 -0.551 -0.500938564026647 -0.964821290565845 -0.9796 -0.7292 3026816 ChemDiv3_007147 COc1ccc(NC(=O)C(C)C2SC(=O)NC2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E20 compound treatment -0.255 -0.126 -0.18 -0.62 -0.549 -1.08 -0.484 -0.433938564026647 -0.835777469406824 -1.211 -0.8777 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E21 compound treatment 0.506 0.635 0.9 -0.019 0.0524 0.1 -0.036 0.014061435973353 0.0270827078952895 0.597 0.6562 3026817 ChemDiv3_007149 CCC1=C(C(c2ccc(Br)cc2)n3ncnc3N1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E22 compound treatment -1.126 -0.997 -1.42 -1.873 -1.8 -3.56 -1.374 -1.32393856402665 -2.54994166092218 -4.344 -0.9443 3118581 ChemDiv3_007150 CC1(C)CC(=O)C2=C(C1)N(Cc3ccco3)C(=O)NC2(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E23 mock treatment -1.294 -1.16 -1.66 0.145 0.216 0.43 -0.014 0.036061435973353 0.069455305887804 -0.6691 -0.391 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 E24 mock treatment -0.94 -0.811 -1.15 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 -0.5283 -0.4534 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F01 compound treatment -1.125 -0.996 -1.42 -0.661 -0.59 -1.16 -0.676 -0.625938564026647 -1.20557468825059 -2.1854 -0.9962 1293985 ChemDiv3_007151 Oc1c(ccc2cccnc12)C(Nc3cccc(Cl)c3)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F02 compound treatment -2.192 -2.06 -2.93 -2.238 -2.17 -4.28 -2.043 -1.99293856402665 -3.83845384533092 -6.3791 -0.9886 3118582 ChemDiv3_007152 CC(NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F03 compound treatment -0.926 -0.797 -1.13 -0.374 -0.303 -0.6 -0.667 -0.616938564026647 -1.18824044361729 -1.6848 -0.9645 1225945 ChemDiv3_007153 OC1(CCN(CC1C(=O)c2ccccc2)C3CCS(=O)(=O)C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F04 compound treatment -0.266 -0.137 -0.19 -0.203 -0.132 -0.26 -0.217 -0.166938564026647 -0.321528211952216 -0.4477 -0.9804 3118583 ChemDiv3_007154 O=C(CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F05 compound treatment -0.226 -0.0966 -0.14 0.13 0.201 0.4 -0.123 -0.072938564026647 -0.140481656893291 0.0692 0.1561 3026871 ChemDiv3_007155 CCN(CC)CCN1CN(C(=O)c2ccccc2)c3sc(C)c(C)c3C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F06 compound treatment -0.386 -0.257 -0.36 0.361 0.432 0.85 0.299 0.349061435973353 0.672301813690397 0.6705 0.5849 3118584 ChemDiv3_007156 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cccs3)/C(=O)N(C2=S)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F07 compound treatment -0.738 -0.609 -0.87 -0.846 -0.775 -1.53 -1.4 -1.34993856402665 -2.60001836764061 -2.8837 -0.9189 1868012 ChemDiv3_007157 CNC(=O)Cc1coc2ccc3ccccc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F08 compound treatment -0.35 -0.221 -0.31 -0.121 -0.0496 -0.1 -0.37 -0.319938564026647 -0.61621037071834 -0.5933 -0.8497 3118585 ChemDiv3_007158 O=C(CSc1ncccn1)Nc2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F09 compound treatment 0.788 0.917 1.3 1.458 1.53 2.48 1.143 1.19306143597335 2.15065075762258 3.4261 0.9701 3026872 ChemDiv3_007159 Cc1ccc2cc3CCN(Cc4ccco4)c3nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F10 compound treatment -0.454 -0.325 -0.46 0.091 0.162 0.32 -0.613 -0.562938564026647 -1.08423497581748 -0.7073 -0.5791 3118586 ChemDiv3_007160 CCOc1cccc(NC(=O)C2CC(=O)N(/N=C(\C)/c3ccc(Br)s3)C(=N)S2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F11 compound treatment 0.257 0.386 0.55 -0.383 -0.312 -0.62 -0.139 -0.088938564026647 -0.171298091796938 -0.1369 -0.1625 3118587 ChemDiv3_007161 CCOC(=O)c1ccc2nc(nc(NCCCc3ccccc3)c2c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F12 compound treatment -0.231 -0.102 -0.14 -1.127 -1.06 -2.08 -0.468 -0.417938564026647 -0.804961034503177 -1.7515 -0.7823 1635368 ChemDiv3_007162 O=C(NCc1ccccc1)c2ccc3c(=O)n(CCc4ccccc4)c(SCC#N)nc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F13 compound treatment -0.433 -0.304 -0.43 -0.033 0.0384 0.08 -0.1 -0.049938564026647 -0.0961830317192982 -0.2609 -0.5815 3118588 ChemDiv3_007163 Cc1cc2OC(=C(C#N)C(c3cccc(F)c3)c2c(=O)n1CCN4CCOCC4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F14 compound treatment -1.481 -1.35 -1.92 -0.328 -0.257 -0.51 -0.571 -0.520938564026647 -1.0033418341954 -1.9812 -0.8899 1650732 ChemDiv3_007164 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NCc4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F15 compound treatment -0.155 -0.0256 -0.04 0.33 0.401 0.79 -0.5 -0.449938564026647 -0.866593904310471 -0.0637 -0.0542 3026873 ChemDiv3_007165 CC(C)c1ccc(cc1)C2C(=C(N)Oc3cc(C)[nH]c(=O)c23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F16 compound treatment 0.73 0.859 1.22 0.59 0.661 1.31 0.727 0.777061435973353 1.49664144736295 2.3236 0.9963 1236286 ChemDiv3_007166 O=C(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)c4ccccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F17 compound treatment -0.508 -0.379 -0.54 -0.431 -0.36 -0.71 -0.794 -0.743938564026647 -1.43284589566498 -1.5479 -0.9174 3026874 ChemDiv3_007167 O=P1(COc2ccccc2OC1)Nc3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F18 compound treatment -0.519 -0.39 -0.55 -0.456 -0.385 -0.76 -0.697 -0.646938564026647 -1.24602125906162 -1.4776 -0.9467 3026875 ChemDiv3_007168 COc1ccc(cc1)S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F19 compound treatment -0.041 0.0884 0.13 -0.115 -0.0436 -0.09 -0.071 -0.020938564026647 -0.0403282434564381 -4.0E-4 -0.0024 3118589 ChemDiv3_007169 COc1cccc(c1)C(=O)NC(NCC2CCCO2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F20 compound treatment 0.026 0.155 0.22 0.698 0.769 1.52 0.402 0.452061435973353 0.870682613382624 1.5074 0.8541 1723594 ChemDiv3_007170 CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F21 compound treatment -0.495 -0.366 -0.52 -0.65 -0.579 -1.14 -1.139 -1.08893856402665 -2.09732527327487 -2.1705 -0.888 1579177 ChemDiv3_007171 OP(=O)(CN1CCCCC1)CN2CCCCCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F22 compound treatment 0.011 0.14 0.2 -0.138 -0.0666 -0.13 -0.354 -0.303938564026647 -0.585393935814693 -0.2986 -0.4722 3118590 ChemDiv3_007172 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)/N=c\3/sc4cccc(Cl)c4n3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F23 mock treatment 0.322 0.451 0.64 0.186 0.257 0.51 0.136 0.186061435973353 0.358359383109494 0.8709 0.9745 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 F24 mock treatment 0.047 0.176 0.25 0.032 0.103 0.2 -0.041 0.009061435973353 0.0174525719878998 0.2728 0.8422 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G01 compound treatment -0.75 -0.621 -0.88 -0.169 -0.0976 -0.19 -0.227 -0.176938564026647 -0.340788483766996 -0.8174 -0.8468 3026876 ChemDiv3_007173 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCCCCC3)n2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G02 compound treatment -0.804 -0.675 -0.96 -0.295 -0.224 -0.44 -0.338 -0.287938564026647 -0.554577500911046 -1.1288 -0.9465 3118591 ChemDiv3_007174 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G03 compound treatment -0.183 -0.0536 -0.08 0.155 0.226 0.45 0.051 0.101061435973353 0.19464707268387 0.3265 0.6616 3026877 ChemDiv3_007175 CSc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G04 compound treatment 0.0 0.129 0.18 0.19 0.261 0.52 -0.207 -0.156938564026647 -0.302267940137437 0.2297 0.3671 3118592 ChemDiv3_007176 CC1(C)CC(CCO1)N(Cc2cccs2)C(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G05 compound treatment 0.171 0.3 0.43 1.057 1.13 2.17 0.022 0.072061435973353 0.138792284421009 1.5789 0.7129 3118593 ChemDiv3_007177 CCSC1=C(C#N)C(=O)NC(S1)c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G06 compound treatment -0.113 0.0164 0.02 0.091 0.162 0.32 -0.247 -0.196938564026647 -0.379309027396554 -0.0203 -0.0409 3026878 ChemDiv3_007178 OC(=O)/C=C/c1ccc2c(onc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G07 compound treatment -0.758 -0.629 -0.89 -0.129 -0.0576 -0.11 -0.412 -0.361938564026647 -0.697103512340413 -0.9841 -0.8639 3118594 ChemDiv3_007179 Cc1csc2nc(=O)c(nn12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G08 compound treatment -0.661 -0.532 -0.76 -0.388 -0.317 -0.63 -0.534 -0.483938564026647 -0.932078828480721 -1.3354 -0.9869 3026879 ChemDiv3_007180 CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G09 compound treatment 0.045 0.174 0.25 0.268 0.339 0.67 -0.123 -0.072938564026647 -0.140481656893291 0.449 0.6165 3118595 ChemDiv3_007181 Cc1cccc(NC(=O)C2Sc3nnc(c4ccccc4)n3NC2c5ccccc5)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G10 compound treatment -0.457 -0.328 -0.47 -1.207 -1.14 -2.24 -0.033 0.017061435973353 0.0328607894397233 -1.5445 -0.6744 3118596 ChemDiv3_007182 CCC(=O)N1CCNC(=O)C1CC(=O)Nc2ccc(C)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G11 compound treatment -0.314 -0.185 -0.26 -0.494 -0.423 -0.83 -0.364 -0.313938564026647 -0.604654207629472 -0.9823 -0.9238 1170868 ChemDiv3_007183 Cn1c(=O)c(Nc2ccccc2)c3-c4ccccc4C(=O)c5cccc1c53 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G12 compound treatment -0.681 -0.552 -0.78 -1.265 -1.19 -2.36 -0.382 -0.331938564026647 -0.639322696896075 -2.1825 -0.851 3026880 ChemDiv3_007184 CCc1nnc2sc(nn12)c3ccc(N)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G13 compound treatment -1.148 -1.02 -1.45 -0.567 -0.496 -0.98 -0.791 -0.740938564026647 -1.42706781412055 -2.225 -0.9861 3118721 ChemDiv3_007185 CC(C)(CO)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G14 compound treatment -0.6 -0.471 -0.67 -0.641 -0.57 -1.12 -0.625 -0.574938564026647 -1.10734730199521 -1.6749 -0.9771 3118722 ChemDiv3_007186 Cn1cccc1CNCCc2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G15 compound treatment -0.264 -0.135 -0.19 -0.577 -0.506 -1.0 -0.279 -0.228938564026647 -0.440941897203848 -0.9414 -0.8497 3026881 ChemDiv3_007187 Oc1cccnc1NC(=O)CCC2COc3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G16 compound treatment -0.169 -0.0396 -0.06 0.194 0.265 0.52 0.221 0.271061435973353 0.522071693535118 0.5715 0.7703 3118723 ChemDiv3_007188 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCc4ccccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G17 compound treatment -1.623 -1.49 -2.12 -1.448 -1.38 -2.72 -0.135 -0.084938564026647 -0.163593983071026 -2.8898 -0.8369 3118724 ChemDiv3_007189 Cc1ccc(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G18 compound treatment -0.424 -0.295 -0.42 -0.298 -0.227 -0.45 -0.086 -0.035938564026647 -0.0692186511786071 -0.5401 -0.8757 3026882 ChemDiv3_007190 CCOC(=O)c1cnc(Nc2nc3ccccc3s2)nc1CSc4ncccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G19 compound treatment -0.329 -0.2 -0.28 -0.289 -0.218 -0.43 -0.324 -0.273938564026647 -0.527613120370355 -0.7165 -0.9719 3118725 ChemDiv3_007191 CC(C1SC(=O)NC1=O)C(=O)Nc2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G20 compound treatment -0.516 -0.387 -0.55 -0.5 -0.429 -0.85 -0.37 -0.319938564026647 -0.61621037071834 -1.1617 -0.9825 3026883 ChemDiv3_007192 FC(F)(F)C1(N=C(NC(=N1)c2ccccc2)c3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G21 compound treatment -0.091 0.0384 0.05 -0.061 0.0104 0.02 -0.657 -0.606938564026647 -1.16898017180251 -0.6315 -0.5395 3026933 ChemDiv3_007193 NC(=O)c1cc(C(=O)Nc2ccccc2)c(N)nc1SCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G22 compound treatment 0.089 0.218 0.31 0.22 0.291 0.58 0.06 0.110061435973353 0.211981317317171 0.6339 0.9222 3118726 ChemDiv3_007194 CC1=C(C#N)C(N=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G23 mock treatment 0.225 0.354 0.5 0.149 0.22 0.44 0.041 0.091061435973353 0.17538680086909 0.6435 0.9345 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 G24 mock treatment -0.919 -0.79 -1.12 -0.217 -0.146 -0.29 0.151 0.201061435973353 0.387249790831663 -0.5905 -0.4833 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H01 compound treatment -1.216 -1.09 -1.54 -0.833 -0.762 -1.5 -0.828 -0.777938564026647 -1.49833081983523 -2.6252 -0.9999 1322971 ChemDiv3_007195 CC(C)c1ccc(cc1)C(Nc2nccs2)c3c(C)[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H02 compound treatment -1.447 -1.32 -1.87 -1.522 -1.45 -2.86 -1.105 -1.05493856402665 -2.03184034910462 -3.9083 -0.982 3118727 ChemDiv3_007196 Cc1ccc(cc1)N(CC(=O)NCc2ccco2)S(=O)(=O)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H03 compound treatment -0.674 -0.545 -0.77 -0.485 -0.414 -0.82 -0.382 -0.331938564026647 -0.639322696896075 -1.2876 -0.9949 1679882 ChemDiv3_007197 Cc1[nH]c2ccccc2c1C(O)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H04 compound treatment -0.292 -0.163 -0.23 -0.06 0.0114 0.02 0.241 0.291061435973353 0.560592237164677 0.2032 0.3349 3118728 ChemDiv3_007198 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)NC3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H05 compound treatment -0.069 0.0604 0.09 0.521 0.592 1.17 -0.029 0.021061435973353 0.040564898165635 0.7484 0.6377 3118729 ChemDiv3_007199 Cc1sc2N(CN(Cc3ccco3)Cc2c1C)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H06 compound treatment -0.683 -0.554 -0.79 -0.633 -0.562 -1.11 -0.223 -0.172938564026647 -0.333084375041084 -1.2869 -0.9192 3026934 ChemDiv3_007200 CCN1C(=O)/C(=C\C=C\2/Sc3ccc(Cl)cc3N2C)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H07 compound treatment -0.216 -0.0866 -0.12 -0.024 0.0474 0.09 -0.118 -0.067938564026647 -0.130851520985901 -0.0925 -0.4568 3118730 ChemDiv3_007201 Cc1ccc2cc3CCN(c3nc2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H08 compound treatment -0.841 -0.712 -1.01 -0.529 -0.458 -0.9 0.338 0.388061435973353 0.747416873768036 -0.6742 -0.4353 1574479 ChemDiv3_007202 O=C(CCSc1ccccc1)NC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H09 compound treatment 0.418 0.547 0.78 -0.01 0.0614 0.12 0.463 0.513061435973353 0.988170271452777 1.0899 0.8625 3118731 ChemDiv3_007203 Cc1ccc2cc3CCN(c3nc2c1)c4ccc(cc4)C(=O)NCc5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H10 compound treatment -0.745 -0.616 -0.88 0.044 0.115 0.23 -0.25 -0.199938564026647 -0.385087108940988 -0.596 -0.6064 1738369 ChemDiv3_007204 CCC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H11 compound treatment -0.481 -0.352 -0.5 -0.506 -0.435 -0.86 0.031 0.081061435973353 0.156126529054311 -0.6939 -0.6902 3026935 ChemDiv3_007205 CCOC(=O)c1ccc2nc(nc(N3CC(C)OC(C)C3)c2c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H12 compound treatment -0.099 0.0304 0.04 -1.056 -0.985 -1.94 -1.0 -0.949938564026647 -1.82960749504944 -2.1538 -0.8067 1558178 ChemDiv3_007206 CCCCn1c(SCC(=O)OCC)nc2n(CCc3ccccc3)c(=S)sc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H13 compound treatment -0.255 -0.126 -0.18 0.122 0.193 0.38 0.719 0.769061435973353 1.48123322991113 0.9726 0.6315 3118732 ChemDiv3_007207 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1CCCn4ccnc4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H14 compound treatment -1.174 -1.04 -1.49 -0.689 -0.618 -1.22 -0.368 -0.317938564026647 -0.612358316355384 -1.915 -0.9495 1230528 ChemDiv3_007208 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)Nc4ccc(C)c(Cl)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H15 compound treatment -0.574 -0.445 -0.63 -0.614 -0.543 -1.07 -0.875 -0.824938564026647 -1.5888540973647 -1.9008 -0.942 3118733 ChemDiv3_007209 N(c1ccccc1)c2ccc(nn2)n3ccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H16 compound treatment -0.816 -0.687 -0.98 -0.354 -0.283 -0.56 -0.018 0.032061435973353 0.0617511971618922 -0.8501 -0.7549 3026936 ChemDiv3_007210 CC(C)c1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H17 compound treatment 0.295 0.424 0.6 0.661 0.732 1.45 -0.231 -0.180938564026647 -0.348492592492907 0.9821 0.6118 3118734 ChemDiv3_007211 CC(C)c1ccc(C)c(OP2(=O)COc3ccccc3OC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H18 compound treatment -1.143 -1.01 -1.44 -0.313 -0.242 -0.48 -0.167 -0.116938564026647 -0.22522685287832 -1.2374 -0.8064 3026937 ChemDiv3_007212 CCOC(=O)c1cnc2cc(ccc2c1N(C)Cc3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H19 compound treatment 0.247 0.376 0.54 -0.221 -0.15 -0.3 0.255 0.305061435973353 0.587556617705368 0.4777 0.5634 3118735 ChemDiv3_007213 Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H20 compound treatment -1.0 -0.871 -1.24 0.238 0.309 0.61 0.065 0.115061435973353 0.221611453224561 -0.2339 -0.1673 3118736 ChemDiv3_007214 CCOC(=O)c1cnc2ccc(OCC)cc2c1N3CCN(CC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H21 compound treatment 0.711 0.84 1.19 -1.239 -1.17 -2.31 -0.371 -0.320938564026647 -0.618136397899818 -0.998 -0.3739 3026938 ChemDiv3_007215 Cc1ccccc1/N=C/c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H22 compound treatment -0.5 -0.371 -0.53 -0.351 -0.28 -0.55 0.625 0.675061435973353 1.3001866748522 0.1278 0.0847 3118737 ChemDiv3_007216 CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)/sc4c1ccc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H23 mock treatment 0.63 0.759 1.08 0.25 0.321 0.63 0.062 0.112061435973353 0.215833371680127 1.1144 0.8769 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 H24 mock treatment -1.0 -0.871 -1.24 0.2 0.271 0.54 0.206 0.256061435973353 0.493181285812949 -0.1205 -0.0839 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I01 compound treatment -0.636 -0.507 -0.72 -0.788 -0.717 -1.41 -0.627 -0.576938564026647 -1.11119935635817 -1.8743 -0.9672 3026939 ChemDiv3_007217 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCc4ccccc34)n2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I02 compound treatment 0.482 0.611 0.87 0.288 0.359 0.71 -0.037 0.013061435973353 0.0251566807138115 0.9262 0.8251 3118738 ChemDiv3_007218 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCCn4ccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I03 compound treatment -0.873 -0.744 -1.06 -1.262 -1.19 -2.35 -1.173 -1.12293856402665 -2.16281019744512 -3.2163 -0.9559 3026940 ChemDiv3_007219 Cc1cc(nc(SCc2ccc(o2)C(=O)O)n1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I04 compound treatment 0.041 0.17 0.24 0.131 0.202 0.4 -0.033 0.017061435973353 0.0328607894397233 0.3896 0.8315 3118739 ChemDiv3_007220 COc1ccc(Br)cc1C(=O)N2Cc3cc(OC)c(OC)cc3C4(CCCC4)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I05 compound treatment -0.01 0.119 0.17 -0.306 -0.235 -0.46 -1.222 -1.17193856402665 -2.25718552933754 -1.4726 -0.6373 3026941 ChemDiv3_007221 CCSC1=C(C#N)C(=O)NC(S1)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I06 compound treatment -1.4 -1.27 -1.81 -1.545 -1.47 -2.91 -1.722 -1.67193856402665 -3.2201991200765 -4.582 -0.9747 3118740 ChemDiv3_007222 Clc1ccc(cc1)c2onc3cc(ccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I07 compound treatment 2.133 2.26 2.1 1.444 1.52 2.47 1.768 1.81806143597335 2.56703473461907 4.1182 0.9964 3026942 ChemDiv3_007223 O=C/1Nc2ccccc2\C1=C\C=C\c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I08 compound treatment -0.207 -0.0776 -0.11 -0.196 -0.125 -0.25 -0.533 -0.482938564026647 -0.930152801299243 -0.7427 -0.7669 3118741 ChemDiv3_007224 CCCn1c2ccc(C)cc2c3nnc(SCCN4CCOCC4)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I09 compound treatment -0.309 -0.18 -0.26 -0.116 -0.0446 -0.09 0.233 0.283061435973353 0.545184019712853 0.1165 0.1916 3118742 ChemDiv3_007225 O=C(C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4)N5CCCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I10 compound treatment -0.29 -0.161 -0.23 -0.636 -0.565 -1.11 -0.646 -0.595938564026647 -1.14779387280625 -1.4381 -0.8898 3026943 ChemDiv3_007226 CCC(=O)N1C(CC(=O)Nc2ccc(F)cc2)C(=O)NC3CCCCC31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I11 compound treatment -1.165 -1.04 -1.47 -0.962 -0.891 -1.76 -0.569 -0.518938564026647 -0.999489779832448 -2.4424 -0.9762 1866671 ChemDiv3_007227 O=C1c2ccccc2-c3c(NCCc4ccccc4)c(=O)[nH]c5cccc1c35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I12 compound treatment 0.147 0.276 0.39 -1.948 -1.88 -3.71 -0.962 -0.911938564026647 -1.75641846215328 -2.9264 -0.7104 3118743 ChemDiv3_007228 COC(=O)C1=C(C)OC(=C(C#N)C1c2cc(C)cc(Cn3ccc(n3)C(F)(F)F)c2C)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I13 compound treatment 3.559 3.69 2.39 3.406 3.48 3.24 3.265 3.31506143597335 3.1039355855085 5.0423 0.992 3026944 ChemDiv3_007229 Nc1cccc(c1)c2ccc(CO)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I14 compound treatment -0.957 -0.828 -1.18 -0.344 -0.273 -0.54 -0.671 -0.620938564026647 -1.1959445523432 -1.6805 -0.9538 3118744 ChemDiv3_007230 COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I15 compound treatment -0.947 -0.818 -1.16 -0.277 -0.206 -0.41 -0.861 -0.810938564026647 -1.561889716824 -1.8072 -0.9087 3026945 ChemDiv3_007231 NS(=O)(=O)c1ccc(NC(=O)CCC2COc3ccccc3O2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I16 compound treatment -0.524 -0.395 -0.56 -0.187 -0.116 -0.23 -0.044 0.006061435973353 0.011674490443466 -0.4489 -0.7411 1398603 ChemDiv3_007232 Nc1nonc1N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I17 compound treatment -1.36 -1.23 -1.75 -0.727 -0.656 -1.29 -0.974 -0.923938564026647 -1.77953078833101 -2.7849 -0.9906 3118745 ChemDiv3_007233 COc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I18 compound treatment -0.368 -0.239 -0.34 -0.114 -0.0426 -0.08 -0.563 -0.512938564026647 -0.98793361674358 -0.8148 -0.7775 3026838 ChemDiv3_007234 CC1CC(=O)c2cnc(nc2C1)N3CCc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I19 compound treatment -0.767 -0.638 -0.91 -0.152 -0.0806 -0.16 -0.552 -0.501938564026647 -0.966747317747323 -1.1734 -0.8791 3118881 ChemDiv3_007235 COC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)c3cccs3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I20 compound treatment 0.047 0.176 0.25 -0.019 0.0524 0.1 -0.618 -0.567938564026647 -1.09386511172487 -0.427 -0.3788 3026840 ChemDiv3_007236 NC1=C(C#N)C(N=C2SCCN21)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I21 compound treatment 0.0 0.129 0.18 -0.116 -0.0446 -0.09 0.193 0.243061435973353 0.468142932453736 0.3257 0.6378 3118882 ChemDiv3_007237 CCc1cc(C(N2CCN(CCO)CC2)c3ccc(Cl)cc3)c(NC(=O)c4ccccc4)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I22 compound treatment -0.776 -0.647 -0.92 -0.19 -0.119 -0.23 -0.482 -0.431938564026647 -0.831925415043868 -1.1462 -0.9084 3026842 ChemDiv3_007238 CCCCN1C(=NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I23 mock treatment -1.382 -1.25 -1.78 0.073 0.144 0.29 -0.029 0.021061435973353 0.040564898165635 -0.8401 -0.4657 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 I24 mock treatment -1.824 -1.69 -2.41 0.05 0.121 0.24 0.23 0.280061435973353 0.539405938168419 -0.9412 -0.3794 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J01 compound treatment 0.788 0.917 1.3 0.984 1.06 2.08 0.93 0.980061435973353 1.88762496520297 3.0461 0.9827 3026843 ChemDiv3_007239 Oc1ccc(CNc2cccc(c2)C(F)(F)F)c3cccnc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J02 compound treatment 1.048 1.18 1.64 0.311 0.382 0.76 -0.341 -0.290938564026647 -0.56035558245548 1.0572 0.5602 3118883 ChemDiv3_007240 Oc1ccc(Cl)cc1/C=N/c2ccc3nc(SCC=C)sc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J03 compound treatment -0.052 0.0774 0.11 0.206 0.277 0.55 0.068 0.118061435973353 0.227389534768994 0.5111 0.8472 1273454 ChemDiv3_007241 COc1ccc(cc1)C(N2CCOCC2)c3ccc4cccnc4c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J04 compound treatment -0.089 0.0404 0.06 0.31 0.381 0.75 -0.25 -0.199938564026647 -0.385087108940988 0.2457 0.2898 3026846 ChemDiv3_007242 O=C1CCCC(=O)C1=CNc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J05 compound treatment -0.613 -0.484 -0.69 -0.385 -0.314 -0.62 -0.591 -0.540938564026647 -1.04186237782496 -1.3559 -0.9731 3118884 ChemDiv3_007243 Cc1cccc(C)c1OCc2nnc(CCc3ccccc3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J06 compound treatment -0.613 -0.484 -0.69 -0.348 -0.277 -0.55 -0.564 -0.513938564026647 -0.989859643925058 -1.2837 -0.9702 1651075 ChemDiv3_007244 O=C1N(N=C2CCCCCC2)C(Nc3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J07 compound treatment -0.221 -0.0916 -0.13 -0.073 -0.00156 0.0 -0.28 -0.229938564026647 -0.442867924385326 -0.3327 -0.7206 3118885 ChemDiv3_007245 FC(F)(F)c1c(C#N)c(SCc2ccccc2Cl)nc3-c4ccoc4CCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J08 compound treatment 3.265 3.39 2.35 1.6 1.67 2.57 1.686 1.73606143597335 2.52246546069055 4.2936 0.9993 1275637 ChemDiv3_007246 Fc1ccccc1C(=O)NCC(=O)NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J09 compound treatment -0.507 -0.378 -0.54 -0.018 0.0534 0.11 -0.113 -0.062938564026647 -0.121221385078511 -0.319 -0.5693 3026850 ChemDiv3_007247 CC12CNC3(CO)CC2CCC13C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J10 compound treatment -0.391 -0.262 -0.37 -0.523 -0.452 -0.89 -0.737 -0.686938564026647 -1.32306234632074 -1.4934 -0.9116 3118886 ChemDiv3_007248 O=C(CSc1nnc(c2cccnc2)n1c3ccccc3)NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J11 compound treatment -0.26 -0.131 -0.19 -0.246 -0.175 -0.34 -0.151 -0.100938564026647 -0.194410417974673 -0.4184 -0.9573 3026852 ChemDiv3_007249 CCOC(=O)c1ccc2nc(nc(N3CCCCC3)c2c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J12 compound treatment -0.317 -0.188 -0.27 -0.226 -0.155 -0.31 -0.056 -0.005938564026647 -0.0114378357342692 -0.3368 -0.8306 1632505 ChemDiv3_007250 COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J13 compound treatment -0.778 -0.649 -0.92 -0.082 -0.0106 -0.02 -0.027 0.023061435973353 0.0444169525285909 -0.5188 -0.5618 3118887 ChemDiv3_007251 Cc1cc2OC(=C(C#N)C(c3cccs3)c2c(=O)n1CC4CCCO4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J14 compound treatment -1.261 -1.13 -1.61 -0.867 -0.796 -1.57 -0.989 -0.938938564026647 -1.80842119605318 -2.8799 -0.998 1147245 ChemDiv3_007252 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCC(CC4)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J15 compound treatment -1.019 -0.89 -1.26 0.736 0.807 1.59 -0.519 -0.468938564026647 -0.903188420758552 -0.3312 -0.1488 3026904 ChemDiv3_007253 Oc1ccc(Nc2nc(N3CCOCC3)c4ccccc4n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J16 compound treatment 0.034 0.163 0.23 -0.052 0.0194 0.04 0.303 0.353061435973353 0.680005922416308 0.5489 0.7628 3118888 ChemDiv3_007254 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCNC(=O)Cn3cnc4sc5CCCCc5c4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J17 compound treatment -1.333 -1.2 -1.71 -0.808 -0.737 -1.45 -0.108 -0.057938564026647 -0.111591249171122 -1.8921 -0.8415 3026906 ChemDiv3_007255 COC(=O)c1ccc(OP2(=O)COc3ccccc3OC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J18 compound treatment -0.679 -0.55 -0.78 -0.522 -0.451 -0.89 -0.419 -0.368938564026647 -0.710585702610758 -1.375 -0.9957 3026908 ChemDiv3_007256 CCOC(=O)c1cnc2cc(ccc2c1N3CCCCCC3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J19 compound treatment -0.955 -0.826 -1.17 -0.306 -0.235 -0.46 -1.104 -1.05393856402665 -2.02991432192314 -2.1171 -0.8857 3118889 ChemDiv3_007257 Oc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J20 compound treatment -0.419 -0.29 -0.41 -0.051 0.0204 0.04 -0.434 -0.383938564026647 -0.739476110332927 -0.6414 -0.7569 1384020 ChemDiv3_007258 O=C(N(C1CCCCC1)c2ccccc2)c3cnc4SCCn4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J21 compound treatment -0.778 -0.649 -0.92 -0.456 -0.385 -0.76 -0.292 -0.241938564026647 -0.465980250563061 -1.2398 -0.9669 3026911 ChemDiv3_007259 CSc1nc(=O)c(Cc2ccccc2)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J22 compound treatment -0.326 -0.197 -0.28 0.088 0.159 0.31 -0.08 -0.029938564026647 -0.0576624880897395 -0.0129 -0.0304 1518725 ChemDiv3_007260 COc1ccc(cc1)C(=O)NCCn2cc(SC(C)c3ccccc3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J23 mock treatment -0.372 -0.243 -0.34 0.063 0.134 0.27 0.158 0.208061435973353 0.400731981102008 0.1855 0.3135 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 J24 mock treatment 0.079 0.208 0.3 -0.033 0.0384 0.08 0.155 0.205061435973353 0.394953899557574 0.4429 0.8866 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K01 compound treatment -0.574 -0.445 -0.63 -0.585 -0.514 -1.01 -0.388 -0.337938564026647 -0.650878859984943 -1.3262 -0.9746 1788828 ChemDiv3_007261 O=C(N1CCc2ccccc2C1)c3nc4ncccn4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K02 compound treatment -0.547 -0.418 -0.59 -0.079 -0.00756 -0.01 0.0 0.050061435973353 0.096419686428495 -0.2957 -0.4915 3118890 ChemDiv3_007262 CC(=O)Oc1cc2c(C(=O)N3CCCC3)c(C)oc2c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K03 compound treatment -0.594 -0.465 -0.66 -0.952 -0.881 -1.74 -0.81 -0.759938564026647 -1.46366233056863 -2.2302 -0.9423 3026914 ChemDiv3_007263 CCOC(=O)c1cnn2c(cc(C)nc12)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K04 compound treatment -0.491 -0.362 -0.51 -0.661 -0.59 -1.16 -0.13 -0.079938564026647 -0.153963847163636 -1.0578 -0.8252 3118891 ChemDiv3_007264 Nc1ccc2[nH]c(CCC(=O)O)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K05 compound treatment -1.781 -1.65 -2.35 -1.612 -1.54 -3.04 -1.646 -1.59593856402665 -3.07382105428418 -4.8866 -0.993 1026774 ChemDiv3_007265 COc1ccc(cc1)[n+]2cc(O)on2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K06 compound treatment -1.07 -0.941 -1.34 -1.293 -1.22 -2.41 -1.284 -1.23393856402665 -2.37659921458917 -3.5368 -0.9715 3118892 ChemDiv3_007266 Cc1cc2C(=O)C(=C(C(=O)c2cc1C)c3ccccc3)NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K07 compound treatment -0.772 -0.643 -0.91 -0.185 -0.114 -0.22 -0.507 -0.456938564026647 -0.880076094580816 -1.1651 -0.9044 3026917 ChemDiv3_007267 CCc1cccc2c(c[nH]c12)C(C(=O)c3ccccc3)c4c[nH]c5c(CC)cccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K08 compound treatment -0.446 -0.317 -0.45 -0.692 -0.621 -1.23 -0.597 -0.546938564026647 -1.05341854091383 -1.5755 -0.9393 3118893 ChemDiv3_007268 OCC1CCCN1CC2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K09 compound treatment 0.0 0.129 0.18 0.0 0.0714 0.14 0.074 0.124061435973353 0.238945697857862 0.3256 0.978 3118894 ChemDiv3_007269 CC(C)CNC(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K10 compound treatment -0.165 -0.0356 -0.05 -0.394 -0.323 -0.64 -0.062 -0.011938564026647 -0.0229939988231368 -0.4102 -0.6416 3026967 ChemDiv3_007270 Cn1c(=O)n(C)c2nc(ncc2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K11 compound treatment -0.048 0.0814 0.12 -0.493 -0.422 -0.83 -0.455 -0.404938564026647 -0.779922681143964 -0.864 -0.7536 1131768 ChemDiv3_007271 CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c5cccc([nH]c2=O)c53)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K12 compound treatment 0.289 0.418 0.59 -1.623 -1.55 -3.06 -0.387 -0.336938564026647 -0.648952832803465 -1.8 -0.5647 3026969 ChemDiv3_007272 CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)NC1c3cc(C)ccc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K13 compound treatment -0.684 -0.555 -0.79 -0.455 -0.384 -0.76 -0.412 -0.361938564026647 -0.697103512340413 -1.295 -0.9987 3118895 ChemDiv3_007273 O=C1/C(=C/Nc2ccccc2c3nc4ccccc4c(=O)o3)/Sc5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K14 compound treatment -1.302 -1.17 -1.67 -1.113 -1.04 -2.06 -1.091 -1.04093856402665 -2.00487596856393 -3.3074 -0.9959 3026972 ChemDiv3_007274 O=C(CSc1nc2ccccc2nc1N3CCCC3)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K15 compound treatment -0.836 -0.707 -1.0 -0.687 -0.616 -1.22 -0.592 -0.541938564026647 -1.04378840500644 -1.8844 -0.9965 3118896 ChemDiv3_007275 NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K16 compound treatment -1.13 -1.0 -1.42 -1.182 -1.11 -2.19 -0.353 -0.302938564026647 -0.583467908633215 -2.4242 -0.9052 3118897 ChemDiv3_007276 CCN(CC)CCn1c(=N)n(Cc2ccc(cc2)C(C)(C)C)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K17 compound treatment -0.984 -0.855 -1.22 -0.014 0.0574 0.11 -0.683 -0.632938564026647 -1.21905687852093 -1.3398 -0.7768 1582818 ChemDiv3_007277 CCC(=O)Nc1nonc1c2nc3ccccc3n2CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K18 compound treatment -0.034 0.0954 0.14 0.017 0.0884 0.17 -0.079 -0.028938564026647 -0.0557364609082616 0.147 0.6444 3118898 ChemDiv3_007278 Cc1ccc(cc1)S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K19 compound treatment -0.612 -0.483 -0.69 -0.472 -0.401 -0.79 -0.385 -0.334938564026647 -0.645100778440509 -1.2252 -0.9963 3026975 ChemDiv3_007279 Cc1ccc(o1)C(O)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K20 compound treatment -0.515 -0.386 -0.55 -0.548 -0.477 -0.94 -0.522 -0.471938564026647 -0.908966502302985 -1.3846 -0.9761 3118899 ChemDiv3_007280 Cc1ccc(cc1)C2=NC(N=C3SCCN32)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K21 compound treatment 0.0 0.129 0.18 0.414 0.485 0.96 0.429 0.479061435973353 0.922685347282528 1.1923 0.8877 3026978 ChemDiv3_007281 CCOC(=O)C1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4cccc(Cl)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K22 compound treatment -0.337 -0.208 -0.3 -0.519 -0.448 -0.88 -0.037 0.013061435973353 0.0251566807138115 -0.6661 -0.7147 3118900 ChemDiv3_007282 CCCCN1C(=O)NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K23 mock treatment -0.016 0.113 0.16 0.092 0.163 0.32 0.169 0.219061435973353 0.421918280098265 0.523 0.9422 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 K24 mock treatment -0.787 -0.658 -0.93 0.056 0.127 0.25 0.132 0.182061435973353 0.350655274383582 -0.1921 -0.1865 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L01 compound treatment -0.891 -0.762 -1.08 -0.696 -0.625 -1.23 -0.65 -0.599938564026647 -1.15549798153216 -2.0043 -0.9986 1446827 ChemDiv3_007283 COc1ccc(cc1)C(N2CCOCC2)c3c(C)[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L02 compound treatment -1.304 -1.17 -1.67 -0.74 -0.669 -1.32 -0.625 -0.574938564026647 -1.10734730199521 -2.3657 -0.9859 3026980 ChemDiv3_007284 COc1ccc(/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L03 compound treatment -1.295 -1.17 -1.66 -1.343 -1.27 -2.51 -1.018 -0.967938564026647 -1.86427598431604 -3.4827 -0.984 3119027 ChemDiv3_007285 CC(=O)Nc1cccc(c1)C2=Nc3ccccc3SC(C2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L04 compound treatment -0.959 -0.83 -1.18 -0.434 -0.363 -0.72 -0.627 -0.576938564026647 -1.11119935635817 -1.7358 -0.9798 1408100 ChemDiv3_007286 Clc1ccc(cc1)C(=O)c2ccc(cc2)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L05 compound treatment -0.077 0.0524 0.07 0.618 0.689 1.36 -0.235 -0.184938564026647 -0.356196701218819 0.6233 0.4424 3027023 ChemDiv3_007287 COC(=O)CC1N(CCNC1=O)C(=O)OC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L06 compound treatment -0.63 -0.501 -0.71 0.423 0.494 0.98 -0.43 -0.379938564026647 -0.731772001607016 -0.2698 -0.191 3119028 ChemDiv3_007288 COc1ccc(cc1)/C(=N/N2C(Nc3ccccc3C2=O)c4ccccc4O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L07 compound treatment -0.056 0.0734 0.1 -0.234 -0.163 -0.32 -0.052 -0.001938564026647 -0.00373372700835743 -0.1272 -0.3769 3119029 ChemDiv3_007289 COC(=O)c1ccccc1NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L08 compound treatment -0.836 -0.707 -1.0 -0.111 -0.0396 -0.08 0.061 0.111061435973353 0.213907344498649 -0.5016 -0.487 3027025 ChemDiv3_007290 Cc1cc2nc3s/c(=C/4\C(=O)N(CC(=O)O)c5ccccc45)/c(=O)n3c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L09 compound treatment 1.009 1.14 1.61 -1.245 -1.17 -2.32 -0.949 -0.898938564026647 -1.73138010879406 -1.407 -0.4249 3119030 ChemDiv3_007291 Cc1ccc(NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L10 compound treatment -1.019 -0.89 -1.26 -0.023 0.0484 0.1 0.277 0.327061435973353 0.629929215697882 -0.3113 -0.2198 3027027 ChemDiv3_007292 COC(=O)Nc1ccc(cc1)C(=O)NCC2CCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L11 compound treatment -0.491 -0.362 -0.51 -0.759 -0.688 -1.36 -0.09 -0.039938564026647 -0.0769227599045188 -1.125 -0.7739 3119031 ChemDiv3_007293 CCOC(=O)c1ccc2nc(nc(NCc3ccc(Cl)cc3)c2c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L12 compound treatment 0.493 0.622 0.88 -0.261 -0.19 -0.37 -0.159 -0.108938564026647 -0.209818635426496 0.1737 0.1766 1631642 ChemDiv3_007294 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L13 compound treatment -0.091 0.0384 0.05 0.025 0.0964 0.19 0.143 0.193061435973353 0.371841573379839 0.3561 0.8453 3119032 ChemDiv3_007295 Cc1cc(O)cc(=O)n1Cc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L14 compound treatment -1.978 -1.85 -2.63 -0.586 -0.515 -1.02 -0.339 -0.288938564026647 -0.556503528092524 -2.4253 -0.8444 1665168 ChemDiv3_007296 COc1ccc(c(OC)c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NC4CCCC(C)C4C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L15 compound treatment -1.048 -0.919 -1.31 -1.103 -1.03 -2.04 -1.273 -1.22293856402665 -2.35541291559291 -3.2899 -0.9743 3027031 ChemDiv3_007297 C1CCN(CC1)c2ncnc3c4ccccc4oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L16 compound treatment 0.34 0.469 0.67 0.45 0.521 1.03 0.667 0.717061435973353 1.38107981647428 1.7771 0.962 1122672 ChemDiv3_007298 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)N(C)C4=C2C(=O)CC(C)(C)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L17 compound treatment -2.359 -2.23 -3.17 -1.815 -1.74 -3.44 -1.103 -1.05293856402665 -2.02798829474166 -4.9887 -0.9781 3027033 ChemDiv3_007299 Clc1ccc2nc(NP3(=O)COc4ccccc4O3)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L18 compound treatment 0.161 0.29 0.41 0.198 0.269 0.53 0.0 0.050061435973353 0.096419686428495 0.6012 0.8837 3119033 ChemDiv3_007300 CCOC(=O)c1cnc2cc(ccc2c1N3CC(C)CC(C)C3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L19 compound treatment 0.47 0.599 0.85 0.174 0.245 0.48 -0.418 -0.367938564026647 -0.70865967542928 0.3627 0.2998 3027035 ChemDiv3_007301 CCC1(CC)C(=O)N(CC(=O)OC)C(=O)N(C)C1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L20 compound treatment -0.745 -0.616 -0.88 -0.268 -0.197 -0.39 -0.203 -0.152938564026647 -0.294563831411525 -0.8995 -0.8979 1630796 ChemDiv3_007302 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L21 compound treatment -0.262 -0.133 -0.19 -2.205 -2.13 -4.21 -1.224 -1.17393856402665 -2.26103758370049 -3.8465 -0.8039 3119034 ChemDiv3_007303 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4ccc(C)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L22 compound treatment -0.83 -0.701 -1.0 -0.905 -0.834 -1.65 -0.075 -0.024938564026647 -0.0480323521823499 -1.5531 -0.807 1710843 ChemDiv3_007304 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L23 mock treatment -0.158 -0.0286 -0.04 -0.125 -0.0536 -0.11 -0.121 -0.070938564026647 -0.136629602530335 -0.1634 -0.9207 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 L24 mock treatment -0.485 -0.356 -0.51 -0.044 0.0274 0.05 0.508 0.558061435973353 1.07484149461928 0.3599 0.3027 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M01 compound treatment -0.35 -0.221 -0.31 -0.317 -0.246 -0.48 0.121 0.171061435973353 0.329468975387325 -0.2708 -0.4073 1183622 ChemDiv3_007305 O=C(NCc1ccccc1)c2nc3ncccn3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M02 compound treatment -0.739 -0.61 -0.87 -0.383 -0.312 -0.62 -0.461 -0.410938564026647 -0.791478844232832 -1.3125 -0.9905 3119035 ChemDiv3_007306 COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(=O)C)c4ccccc34)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M03 compound treatment -1.085 -0.956 -1.36 -0.452 -0.381 -0.75 -0.356 -0.305938564026647 -0.589245990177649 -1.5584 -0.9385 3027121 ChemDiv3_007307 COc1cccc(c1)C2CC(n3ncc(C(=O)O)c3N2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M04 compound treatment -0.957 -0.828 -1.18 -0.492 -0.421 -0.83 0.366 0.416061435973353 0.801345634849418 -0.6961 -0.4224 3119036 ChemDiv3_007308 Cc1ccc2[nH]c(CCCC(=O)O)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M05 compound treatment -0.448 -0.319 -0.45 -0.433 -0.362 -0.71 -0.955 -0.904938564026647 -1.74293627188293 -1.68 -0.8672 3027123 ChemDiv3_007309 CCSC1=C(C#N)C(=O)NC(S1)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M06 compound treatment -0.016 0.113 0.16 0.378 0.449 0.89 1.0 1.05006143597335 2.02244686790643 1.7731 0.8007 3119037 ChemDiv3_007310 O=C(Nc1ccccc1)C2CC(=O)n3ncnc3N2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M07 compound treatment 1.534 1.66 1.89 0.778 0.849 1.68 1.167 1.21706143597335 2.17064464727422 3.3104 0.9944 1057220 ChemDiv3_007311 OC(COc1ccccc1)Cn2ccccc2=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M08 compound treatment -0.049 0.0804 0.11 -0.212 -0.141 -0.28 -0.867 -0.816938564026647 -1.57344587991287 -1.0027 -0.626 3027125 ChemDiv3_007312 CC(=O)Nc1cccc(c1)c2nn3c(C)nnc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M09 compound treatment -0.21 -0.0806 -0.11 -0.111 -0.0396 -0.08 -0.24 -0.189938564026647 -0.365826837126209 -0.3225 -0.8242 3119038 ChemDiv3_007313 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCc4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M10 compound treatment -1.415 -1.29 -1.83 -0.179 -0.108 -0.21 -0.563 -0.512938564026647 -0.98793361674358 -1.7483 -0.8371 3027127 ChemDiv3_007314 COC(=O)c1c(C)ncc2COC(C)OCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M11 compound treatment 0.086 0.215 0.31 -0.621 -0.55 -1.09 -1.0 -0.949938564026647 -1.82960749504944 -1.506 -0.7007 3119039 ChemDiv3_007315 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c4ccc(Cl)cc4)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M12 compound treatment 0.157 0.286 0.41 -0.171 -0.0996 -0.2 -0.68 -0.629938564026647 -1.2132787969765 -0.5789 -0.4471 3027129 ChemDiv3_007316 O=C(CSc1ccccn1)N2CCN(C2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M13 compound treatment 0.974 1.1 1.57 1.172 1.24 2.27 1.472 1.52206143597335 2.39366273668899 3.5975 0.9851 3119040 ChemDiv3_007317 CN(C)CCNC(=O)c1cc2ccccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M14 compound treatment -1.671 -1.54 -2.19 -0.508 -0.437 -0.86 -0.44 -0.389938564026647 -0.751032273421795 -2.1967 -0.8886 3119041 ChemDiv3_007318 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M15 compound treatment -1.348 -1.22 -1.73 -0.361 -0.29 -0.57 -0.243 -0.192938564026647 -0.371604918670642 -1.5449 -0.8298 3027131 ChemDiv3_007319 COCCn1c(nc(=S)c2COC(C)(C)Cc21)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M16 compound treatment -0.111 0.0184 0.03 -0.113 -0.0416 -0.08 -0.195 -0.144938564026647 -0.279155613959702 -0.1934 -0.6621 3027133 ChemDiv3_007320 Cn1c(=N)n(CCCOc2ccc(F)cc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M17 compound treatment -0.318 -0.189 -0.27 0.044 0.115 0.23 -0.326 -0.275938564026647 -0.531465174733311 -0.3301 -0.5178 3119042 ChemDiv3_007321 Cc1ccn2cc(cc2c1)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M18 compound treatment -0.246 -0.117 -0.17 -0.196 -0.125 -0.25 -0.597 -0.546938564026647 -1.05341854091383 -0.8459 -0.7729 3119043 ChemDiv3_007322 Cc1ccc2C(=O)NC(Nc2c1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M19 compound treatment 0.554 0.683 0.97 0.933 1.0 1.98 1.068 1.11806143597335 2.0854384685065 2.9101 0.958 3027207 ChemDiv3_007323 CCOC(=O)c1ccc(Nc2nnc3n(CC=C)c(=O)c4c(C)c(C)sc4n23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M20 compound treatment 0.16 0.289 0.41 -0.396 -0.325 -0.64 -0.877 -0.826938564026647 -1.59270615172765 -1.052 -0.5959 3119044 ChemDiv3_007324 CC1=C(C#N)C(N=C(N1)c2ccncc2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M21 compound treatment -0.194 -0.0646 -0.09 0.054 0.125 0.25 -0.04 0.010061435973353 0.0193785991693777 0.1012 0.3819 3027209 ChemDiv3_007325 CC1CCN(CC1)C(=O)c2c(C)oc3C(=O)c4ccccc4C(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M22 compound treatment -1.755 -1.63 -2.31 -0.297 -0.226 -0.45 -0.976 -0.925938564026647 -1.78338284269397 -2.6212 -0.8876 3119045 ChemDiv3_007326 CC1=C(C#N)C(N=C(Cc2ccccc2)N1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M23 mock treatment -0.831 -0.702 -1.0 0.0 0.0714 0.14 0.155 0.205061435973353 0.394953899557574 -0.2664 -0.2462 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 M24 mock treatment -0.278 -0.149 -0.21 1.261 1.33 2.34 0.284 0.334061435973353 0.643411405968228 1.6001 0.657 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N01 compound treatment -0.017 0.112 0.16 0.344 0.415 0.82 0.191 0.241061435973353 0.46429087809078 0.8339 0.8723 1651520 ChemDiv3_007327 COc1ccc(cc1)C(OC(=O)c2ccccc2)c3nccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N02 compound treatment -0.522 -0.393 -0.56 -0.917 -0.846 -1.67 -0.431 -0.380938564026647 -0.733698028788494 -1.7098 -0.8965 1505116 ChemDiv3_007328 Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N03 compound treatment 0.33 0.459 0.65 0.177 0.248 0.49 0.587 0.637061435973353 1.22699764195604 1.3687 0.9286 3119046 ChemDiv3_007329 CC(=O)N1CN(Cc2c3CCCCc3sc12)C4CCS(=O)(=O)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N04 compound treatment -0.473 -0.344 -0.49 0.088 0.159 0.31 0.219 0.269061435973353 0.518219639172162 0.1989 0.2555 1135097 ChemDiv3_007330 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2ccc(C)c(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N05 compound treatment -0.621 -0.492 -0.7 -0.294 -0.223 -0.44 -0.523 -0.472938564026647 -0.910892529484463 -1.1832 -0.9624 3119047 ChemDiv3_007331 Oc1ccc(NC(=O)CN2CC(=O)Oc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N06 compound treatment -0.753 -0.624 -0.89 -0.562 -0.491 -0.97 -0.276 -0.225938564026647 -0.435163815659414 -1.3224 -0.9559 3027214 ChemDiv3_007332 CCOC(=O)C1=C(NC(=S)NC1CC)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N07 compound treatment -0.222 -0.0926 -0.13 0.234 0.305 0.6 0.106 0.156061435973353 0.300578567665156 0.4457 0.6492 3119048 ChemDiv3_007333 CC(C)(C)NC(=O)c1ccc(cc1)n2nc(c3CCc4occc4-c32)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N08 compound treatment -0.25 -0.121 -0.17 -0.344 -0.273 -0.54 -0.282 -0.231938564026647 -0.446719978748282 -0.6676 -0.9271 3119179 ChemDiv3_007334 CCc1nnc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N09 compound treatment 1.227 1.36 1.74 0.919 0.99 1.96 1.365 1.41506143597335 2.32138999346887 3.4738 0.9929 3027218 ChemDiv3_007335 OC(=O)c1nn(c-2c1CCc3occc32)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N10 compound treatment -0.31 -0.181 -0.26 -0.355 -0.284 -0.56 0.195 0.245061435973353 0.471994986816692 -0.199 -0.2564 3119180 ChemDiv3_007336 COc1ccc(NC(=C2C(=O)CC(C)(C)CC2=O)CCCN3C(=O)c4ccccc4C3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N11 compound treatment 0.027 0.156 0.22 -0.418 -0.347 -0.68 -0.267 -0.216938564026647 -0.417829571026113 -0.5079 -0.6105 3027294 ChemDiv3_007337 CCOC(=O)c1ccc2nc(nc(NCCc3ccc(OC)cc3)c2c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N12 compound treatment -0.484 -0.355 -0.5 -0.254 -0.183 -0.36 -0.086 -0.035938564026647 -0.0692186511786071 -0.5392 -0.8646 1740813 ChemDiv3_007338 COc1ccc(cc1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCN(CC4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N13 compound treatment -0.373 -0.244 -0.35 -0.033 0.0384 0.08 0.0 0.050061435973353 0.096419686428495 -0.1005 -0.2734 3027297 ChemDiv3_007339 COc1ccc(Cn2c(C)cc(O)cc2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N14 compound treatment -1.548 -1.42 -2.02 -1.554 -1.48 -2.93 -0.507 -0.456938564026647 -0.880076094580816 -3.3627 -0.9182 1296230 ChemDiv3_007340 Cc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N15 compound treatment -0.402 -0.273 -0.39 -0.421 -0.35 -0.69 -0.358 -0.307938564026647 -0.593098044540605 -0.9647 -0.9753 3027299 ChemDiv3_007341 OCn1c2CCCCc2c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N16 compound treatment 0.259 0.388 0.55 0.534 0.605 1.2 0.188 0.238061435973353 0.458512796546346 1.2737 0.9135 3119181 ChemDiv3_007342 Cc1ccc(cc1C)N2C3=C(C(C4=C2CC(C)(C)CC4=O)c5cccs5)C(=O)CC(C)(C)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N17 compound treatment -0.375 -0.246 -0.35 -0.179 -0.108 -0.21 -0.394 -0.343938564026647 -0.66243502307381 -0.7067 -0.9079 3027303 ChemDiv3_007343 Brc1ccc(cc1)C(=O)C(C(=O)N2CCCCC2)n3ccccc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N18 compound treatment 0.406 0.535 0.76 -0.107 -0.0356 -0.07 -0.1 -0.049938564026647 -0.0961830317192982 0.3434 0.4457 3119182 ChemDiv3_007344 CCOC(=O)c1cnc2c(OC)cccc2c1NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N19 compound treatment -0.768 -0.639 -0.91 -1.519 -1.45 -2.86 -0.895 -0.844938564026647 -1.62737464099425 -3.114 -0.9126 3027305 ChemDiv3_007345 CCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N20 compound treatment -0.157 -0.0276 -0.04 0.618 0.689 1.36 0.398 0.448061435973353 0.862978504656712 1.2615 0.7825 1741518 ChemDiv3_007346 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC(C)C4)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N21 compound treatment -0.091 0.0384 0.05 -0.271 -0.2 -0.39 -0.554 -0.503938564026647 -0.970599372110279 -0.7563 -0.721 3027307 ChemDiv3_007347 COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N22 compound treatment -0.122 0.00741 0.01 0.125 0.196 0.39 -0.333 -0.282938564026647 -0.544947365003656 -0.0846 -0.1265 1286138 ChemDiv3_007348 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N23 mock treatment 0.038 0.167 0.24 -0.075 -0.00356 -0.01 0.227 0.277061435973353 0.533627856623985 0.4414 0.7555 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 N24 mock treatment -0.031 0.0984 0.14 -0.031 0.0404 0.08 0.029 0.079061435973353 0.152274474691355 0.2148 0.969 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O01 compound treatment -0.772 -0.643 -0.91 -0.618 -0.547 -1.08 -0.441 -0.390938564026647 -0.752958300603273 -1.5853 -0.9896 1788832 ChemDiv3_007349 O=C(N(Cc1ccccc1)Cc2ccccc2)c3nc4ncccn4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O02 compound treatment -0.459 -0.33 -0.47 -0.344 -0.273 -0.54 0.059 0.109061435973353 0.210055290135693 -0.46 -0.6184 3119183 ChemDiv3_007350 COc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccc4cccnc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O03 compound treatment -0.667 -0.538 -0.76 -0.312 -0.241 -0.47 -0.099 -0.048938564026647 -0.0942570045378202 -0.7699 -0.8509 3027446 ChemDiv3_007351 COc1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O04 compound treatment -0.638 -0.509 -0.72 -0.514 -0.443 -0.87 -0.484 -0.433938564026647 -0.835777469406824 -1.4045 -0.9969 3119184 ChemDiv3_007352 OC(=O)c1ccc2[nH]c(CCc3nc4cc(ccc4[nH]3)C(=O)O)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O05 compound treatment -0.912 -0.783 -1.11 -0.338 -0.267 -0.53 -0.542 -0.491938564026647 -0.947487045932544 -1.4933 -0.9614 3027447 ChemDiv3_007353 CCSC1=C(C#N)C(=O)NCS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O06 compound treatment -0.705 -0.576 -0.82 -0.048 0.0234 0.05 -0.516 -0.465938564026647 -0.897410339214118 -0.9639 -0.7931 3119185 ChemDiv3_007354 Clc1ccccc1C2N=C(Nc3nc4ccccc4s3)NC5=C2C(=O)CCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O07 compound treatment -1.574 -1.44 -2.05 -0.189 -0.118 -0.23 -0.515 -0.464938564026647 -0.89548431203264 -1.8368 -0.8154 3027478 ChemDiv3_007355 COc1ccc(cc1)C2=Cc3ccccc3C(C)(C)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O08 compound treatment -0.382 -0.253 -0.36 -0.689 -0.618 -1.22 -0.653 -0.602938564026647 -1.16127606307659 -1.5818 -0.9187 3119186 ChemDiv3_007356 CC1(C)CC(=O)C2=C(C1)NCN(Cc3ccc4OCOc4c3)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O09 compound treatment -0.211 -0.0816 -0.12 -0.03 0.0414 0.08 0.014 0.064061435973353 0.123384066969186 0.0515 0.2738 3119187 ChemDiv3_007357 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)Nc4ccccc4C(F)(F)F)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O10 compound treatment -0.025 0.104 0.15 -0.953 -0.882 -1.74 -0.271 -0.220938564026647 -0.425533679752025 -1.1649 -0.6479 3027482 ChemDiv3_007358 CCCC[N+]1(C)C2CCC1CC(O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O11 compound treatment -0.246 -0.117 -0.17 -0.585 -0.514 -1.01 -0.12 -0.069938564026647 -0.134703575348857 -0.7589 -0.7324 3027483 ChemDiv3_007359 OCCNS(=O)(=O)c1cccc2cccnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O12 compound treatment 0.481 0.61 0.87 -1.301 -1.23 -2.43 -0.479 -0.428938564026647 -0.826147333499434 -1.3776 -0.5088 3119188 ChemDiv3_007360 Cc1ccc2oc(c(CN3CCOCC3)c(=O)c2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O13 compound treatment -0.696 -0.567 -0.81 -0.186 -0.115 -0.23 0.075 0.125061435973353 0.24087172503934 -0.4566 -0.5244 3027487 ChemDiv3_007361 CCCN1CC2CCCC3(C1)C(=O)NC4(CCCCC4)N=C23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O14 compound treatment -0.758 -0.629 -0.89 0.172 0.243 0.48 0.121 0.171061435973353 0.329468975387325 -0.0483 -0.0452 3119189 ChemDiv3_007362 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O15 compound treatment -1.589 -1.46 -2.08 -0.415 -0.344 -0.68 -0.215 -0.164938564026647 -0.31767615758926 -1.7732 -0.8037 3119190 ChemDiv3_007363 Sc1ncnc2c1sc3nc(N4CCOCC4)c5CCCCc5c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O16 compound treatment 0.255 0.384 0.55 -0.083 -0.0116 -0.02 0.226 0.276061435973353 0.531701829442508 0.6093 0.7988 3027489 ChemDiv3_007364 CCn1c(=N)n(CCCOc2ccc(Br)cc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O17 compound treatment -0.521 -0.392 -0.56 -0.323 -0.252 -0.5 -0.407 -0.356938564026647 -0.687473376433023 -1.0051 -0.9907 3119191 ChemDiv3_007365 COc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O18 compound treatment -0.194 -0.0646 -0.09 -0.283 -0.212 -0.42 -0.257 -0.206938564026647 -0.398569299211333 -0.5243 -0.8968 3027491 ChemDiv3_007366 CN(C)C1=NC(N=C(C)O1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O19 compound treatment -0.776 -0.647 -0.92 -0.399 -0.328 -0.65 -0.814 -0.763938564026647 -1.47136643929454 -1.7537 -0.9471 3119192 ChemDiv3_007367 CN(CCO)C(=O)c1ccc-2c(c1)C(=O)c3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O20 compound treatment -0.169 -0.0396 -0.06 -0.312 -0.241 -0.47 -0.378 -0.327938564026647 -0.631618588170163 -0.6714 -0.8474 3027493 ChemDiv3_007368 FC(F)(F)C1(C2CC(C=C2)N1C(=O)c3ccncc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O21 compound treatment -0.143 -0.0136 -0.02 -0.391 -0.32 -0.63 -0.527 -0.476938564026647 -0.918596638210375 -0.9058 -0.8127 3119193 ChemDiv3_007369 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)N4CCc5ccccc5C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O22 compound treatment -0.014 0.115 0.16 0.506 0.577 1.14 -0.012 0.038061435973353 0.0733073602507598 0.7953 0.6891 1582951 ChemDiv3_007370 CCN1CCN(CC1)C(c2cccnc2)c3ccc4cccnc4c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O23 mock treatment 0.103 0.232 0.33 -0.342 -0.271 -0.53 0.0 0.050061435973353 0.096419686428495 -0.062 -0.0975 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 O24 mock treatment -0.33 -0.201 -0.29 -0.296 -0.225 -0.44 0.029 0.079061435973353 0.152274474691355 -0.3327 -0.6064 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P01 compound treatment 0.058 0.187 0.27 0.22 0.291 0.58 -0.097 -0.046938564026647 -0.0904049501748644 0.4339 0.6773 1619302 ChemDiv3_007371 Cc1[nH]c2ccccc2c1C(Nc3cc(C)ccn3)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P02 compound treatment -2.244 -2.11 -3.01 -4.933 -4.86 -9.6 -2.947 -2.89693856402665 -5.57958241738697 -10.4993 -0.9128 3119194 ChemDiv3_007372 Cc1ccc2NC(C3CC=CC3c2c1)c4ccc(/N=C/c5ccccc5)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P03 compound treatment 0.659 0.788 1.12 0.614 0.685 1.35 0.906 0.956061435973353 1.8414003128475 2.4917 0.9789 3027529 ChemDiv3_007373 CC(=O)N1CN(CCCn2ccnc2)Cc3c4CCCCc4sc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P04 compound treatment -0.574 -0.445 -0.63 -0.114 -0.0426 -0.08 -0.107 -0.056938564026647 -0.109665221989644 -0.4768 -0.7369 3027531 ChemDiv3_007374 O=S(=O)(Nc1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P05 compound treatment -0.983 -0.854 -1.21 0.5 0.571 1.13 -0.642 -0.591938564026647 -1.14008976408034 -0.7075 -0.3517 3119195 ChemDiv3_007375 Fc1ccc(cc1)N2CCN(CC2)C(=O)CN3CC(=O)Oc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P06 compound treatment -0.099 0.0304 0.04 -1.511 -1.44 -2.84 -0.57 -0.519938564026647 -1.00141580701393 -2.1943 -0.728 1922912 ChemDiv3_007376 OC(CC(=O)/C=C/c1ccccc1)(c2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P07 compound treatment -0.01 0.119 0.17 0.17 0.241 0.48 -0.193 -0.142938564026647 -0.275303559596746 0.2143 0.372 3027533 ChemDiv3_007377 COC(=O)c1oc2CC(C)(C)c3nc4ccccc4nc3-c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P08 compound treatment 0.635 0.764 1.09 -0.244 -0.173 -0.34 0.361 0.411061435973353 0.791715498942028 0.8879 0.6401 1600357 ChemDiv3_007378 CCc1ccc(cc1)N2NC(=O)C(=C(C)C)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P09 compound treatment 0.976 1.11 1.57 0.14 0.211 0.42 -0.779 -0.728938564026647 -1.40395548794281 0.3379 0.1573 3119196 ChemDiv3_007379 Cc1ccc(Sc2sc(=O)n(C)c2S(=O)(=O)c3ccc(C)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P10 compound treatment 0.357 0.486 0.69 0.215 0.286 0.57 -0.347 -0.296938564026647 -0.571911745544347 0.3956 0.373 1389317 ChemDiv3_007380 S=C(NCCc1ccccc1)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P11 compound treatment -0.586 -0.457 -0.65 -0.424 -0.353 -0.7 -0.118 -0.067938564026647 -0.130851520985901 -0.8523 -0.887 3119197 ChemDiv3_007381 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1Cc4ccccn4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P12 compound treatment 0.41 0.539 0.77 -0.414 -0.343 -0.68 -0.415 -0.364938564026647 -0.702881593884847 -0.3535 -0.2849 1520017 ChemDiv3_007382 O=C(NCC1CCCO1)c2ccc3c(=O)n(c4ccccc4)c(=S)[nH]c3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P13 compound treatment -0.125 0.00441 0.01 0.44 0.511 1.01 0.263 0.313061435973353 0.602964835157191 0.9348 0.7948 3027536 ChemDiv3_007383 COc1ccc(CCn2c(C)cc(O)cc2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P14 compound treatment -0.942 -0.813 -1.16 -2.126 -2.05 -4.06 -0.898 -0.847938564026647 -1.63315272253869 -3.9521 -0.8737 1672880 ChemDiv3_007384 COc1ccc(CCNC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P15 compound treatment -0.733 -0.604 -0.86 -0.652 -0.581 -1.15 -0.604 -0.553938564026647 -1.06690073118418 -1.7733 -0.993 3027538 ChemDiv3_007385 O=C1CCC(=O)N1CCOP2(=O)COc3ccccc3OC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P16 compound treatment -0.912 -0.783 -1.11 -0.96 -0.889 -1.75 -0.375 -0.324938564026647 -0.625840506625729 -2.0167 -0.9294 3119321 ChemDiv3_007386 CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4cccc(F)c4)C(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P17 compound treatment -2.508 -2.38 -3.38 -1.227 -1.16 -2.28 -2.813 -2.76293856402665 -5.32149477506893 -6.3422 -0.9458 3027592 ChemDiv3_007387 Oc1ccccc1CNCc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P18 compound treatment 0.462 0.591 0.84 -0.264 -0.193 -0.38 0.114 0.164061435973353 0.315986785116979 0.4484 0.4597 3119322 ChemDiv3_007388 CCOC(=O)c1cnc2c(OC)cccc2c1N3CCC4(CC3)OCCO4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P19 compound treatment 0.67 0.799 1.14 -0.212 -0.141 -0.28 0.044 0.094061435973353 0.181164882413524 0.6006 0.5073 1582507 ChemDiv3_007389 CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P20 compound treatment -1.13 -1.0 -1.42 -0.281 -0.21 -0.41 -0.311 -0.260938564026647 -0.502574767011142 -1.3504 -0.8632 3119323 ChemDiv3_007390 COC(=O)c1ccc2n(C)/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P21 compound treatment 0.415 0.544 0.77 0.012 0.0834 0.16 -0.212 -0.161938564026647 -0.311898076044827 0.3619 0.4255 1257313 ChemDiv3_007391 O=C1N(CCSC(=S)N2CCSCC2)Cc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P22 compound treatment -1.036 -0.907 -1.29 -0.105 -0.0336 -0.07 0.207 0.257061435973353 0.495107312994427 -0.4966 -0.3592 1190401 ChemDiv3_007392 Cc1cccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c4ccccc24)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P23 mock treatment 0.536 0.665 0.95 0.229 0.3 0.59 0.087 0.137061435973353 0.263984051217075 1.0411 0.9073 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2021 P24 mock treatment -0.066 0.0634 0.09 0.225 0.296 0.59 0.121 0.171061435973353 0.329468975387325 0.5802 0.8561 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A01 compound treatment 0.288 0.417 0.59 1.359 1.43 2.41 1.195 1.24506143597335 2.19346521731324 3.0013 0.9058 3063199 Maybridge4_000353 O=C1CCc2cc(ccc2N1)C3=CSC4=NCCN34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A02 compound treatment -3.423 -3.29 -4.68 -5.0 -4.93 -9.73 -3.926 -3.87593856402665 -7.46516302805387 -12.6321 -0.9622 3178435 Maybridge4_000354 CC1(C)OC(=O)C(C2C3CC4CC(C3)CC2C4)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A03 compound treatment -0.485 -0.356 -0.51 0.746 0.817 1.61 0.549 0.599061435973353 1.15380860905988 1.3061 0.6379 3178436 Maybridge4_000355 Cc1nc(cs1)c2cc(C#N)c(SCCNC(=O)c3ccc(Cl)cc3Cl)nc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A04 compound treatment -0.346 -0.217 -0.31 0.323 0.394 0.78 -0.023 0.027061435973353 0.0521210612545026 0.302 0.3598 1602887 Maybridge4_000356 CC1(C)Oc2c(C=C1)c3c(=O)cc(oc3c4ccoc24)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A05 compound treatment 0.429 0.558 0.79 -1.014 -0.943 -1.86 -1.103 -1.05293856402665 -2.02798829474166 -1.787 -0.6238 3063200 Maybridge4_000357 COc1cc(OC)nc(/N=C/N(C)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A06 compound treatment -0.203 -0.0736 -0.1 -0.07 0.00144 0.0 -0.304 -0.253938564026647 -0.489092576740796 -0.3411 -0.6821 3178437 Maybridge4_000358 CC1(C)CN=C(NC2CCCCC2)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A07 compound treatment -0.135 -0.00559 -0.01 0.043 0.114 0.23 -0.058 -0.00793856402664701 -0.015289890097225 0.117 0.5165 3178438 Maybridge4_000359 COc1ccc(CCC(=O)CCc2ccc(OC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A08 compound treatment 0.128 0.257 0.37 -0.098 -0.0266 -0.05 -0.167 -0.116938564026647 -0.22522685287832 0.051 0.1178 3063201 Maybridge4_000360 COc1ccccc1OC(=O)NC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A09 compound treatment -0.106 0.0234 0.03 0.172 0.243 0.48 0.054 0.104061435973353 0.200425154228303 0.4124 0.7904 3178439 Maybridge4_000361 CCOC(=O)c1ccc(cc1)C(=S)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A10 compound treatment -0.369 -0.24 -0.34 -0.138 -0.0666 -0.13 0.152 0.202061435973353 0.389175818013141 -0.0479 -0.0897 1174208 Maybridge4_000362 CCC1(CCCCN(C)C1=O)c2cccc(OC(=O)C3CCCCC3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A11 compound treatment 0.487 0.616 0.88 -1.228 -1.16 -2.28 -1.63 -1.57993856402665 -3.04300461938053 -2.5694 -0.6581 3063202 Maybridge4_000363 CN(C)Cc1c(C)cc(C)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A12 compound treatment 0.4 0.529 0.75 -1.597 -1.53 -3.01 -0.934 -0.883938564026647 -1.70248970107189 -2.2875 -0.646 1469863 Maybridge4_000364 O=C(Nc1nc(cs1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A13 compound treatment -0.141 -0.0116 -0.02 0.453 0.524 1.04 0.247 0.297061435973353 0.572148400253544 0.9187 0.7764 1002608 Maybridge4_000365 CCOC(=O)c1cnc(S)nc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A14 compound treatment 1.986 2.12 2.05 0.284 0.355 0.7 0.048 0.098061435973353 0.188868991139436 1.6986 0.7805 1583969 Maybridge4_000366 Clc1cccc(c1)C(=O)NC2CN3CCC2CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A15 compound treatment -0.118 0.0114 0.02 0.083 0.154 0.3 0.055 0.105061435973353 0.202351181409781 0.3022 0.8251 3063203 Maybridge4_000367 COc1cc(C#N)c2ccc3ccccc3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A16 compound treatment 0.921 1.05 1.49 0.314 0.385 0.76 -0.091 -0.040938564026647 -0.0788487870859968 1.2561 0.7486 3178440 Maybridge4_000368 CCNC(=Nc1ccc(Cl)cc1)NCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A17 compound treatment 0.429 0.558 0.79 0.281 0.352 0.7 0.346 0.396061435973353 0.762825091219859 1.3006 0.9985 1368926 Maybridge4_000369 CC(=O)OCc1ccccc1Sc2ccccc2C(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A18 compound treatment -0.197 -0.0676 -0.1 -0.125 -0.0536 -0.11 -0.125 -0.074938564026647 -0.144333711256246 -0.1999 -0.9841 1219932 Maybridge4_000370 C1C=C(Nc2nnnn12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A19 compound treatment -0.2 -0.0706 -0.1 0.244 0.315 0.62 0.015 0.065061435973353 0.125310094150664 0.374 0.5815 1528436 Maybridge4_000371 Cn1c(nc2ccccc12)N3C(=O)c4cccc5cccc(C3=O)c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A20 compound treatment -0.685 -0.556 -0.79 -1.172 -1.1 -2.17 -1.184 -1.13393856402665 -2.18399649644138 -2.9716 -0.9343 1375750 Maybridge4_000372 CC1(CC2CC3(C)C1)CC(C2)(C3)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A21 compound treatment 0.035 0.164 0.23 0.035 0.106 0.21 0.053 0.103061435973353 0.198499127046825 0.3709 0.9977 1405005 Maybridge4_000373 O=c1nc2sc3ccccc3n2c(=O)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A22 compound treatment -0.391 -0.262 -0.37 -0.379 -0.308 -0.61 -0.241 -0.190938564026647 -0.367752864307687 -0.7777 -0.9703 3063251 Maybridge4_000374 C/S(=N\S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A23 mock treatment -0.57 -0.441 -0.63 0.051 0.122 0.24 -0.1 -0.049938564026647 -0.0961830317192982 -0.2776 -0.4093 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 A24 mock treatment -0.494 -0.365 -0.52 0.048 0.119 0.24 0.32 0.370061435973353 0.712748384501433 0.2484 0.2723 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B01 compound treatment -2.017 -1.89 -2.68 -1.951 -1.88 -3.71 -1.8 -1.74993856402665 -3.37042924023178 -5.6381 -0.9915 3063252 Maybridge4_000375 C1CN(C1)C(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B02 compound treatment -1.789 -1.66 -2.36 -1.794 -1.72 -3.4 -1.278 -1.22793856402665 -2.3650430515003 -4.6915 -0.984 3063253 Maybridge4_000376 CC1CCC(C)N1c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B03 compound treatment -0.411 -0.282 -0.4 -0.225 -0.154 -0.3 -0.62 -0.569938564026647 -1.09771716608782 -1.04 -0.8615 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B04 compound treatment -1.034 -0.905 -1.29 -0.844 -0.773 -1.53 -0.706 -0.655938564026647 -1.26335550369492 -2.3527 -0.9962 3063255 Maybridge4_000378 C/C(=N\O)/c1cc(Cl)cc(Cl)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B05 compound treatment -0.508 -0.379 -0.54 -0.42 -0.349 -0.69 -1.0 -0.949938564026647 -1.82960749504944 -1.7645 -0.8702 3063256 Maybridge4_000379 CCN(CC)Cc1c(C)c(C)c(C)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B06 compound treatment 0.447 0.576 0.82 0.35 0.421 0.83 0.453 0.503061435973353 0.968909999637998 1.513 0.997 3178441 Maybridge4_000380 Oc1c(Cl)cc(Cl)cc1C2Nc3cc(ccc3-n4cccc24)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B07 compound treatment 0.324 0.453 0.64 0.796 0.867 1.71 0.537 0.587061435973353 1.13069628288214 2.0139 0.9362 1227211 Maybridge4_000381 CCC(C)(C)NC(=S)Nc1cccc(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B08 compound treatment 0.058 0.187 0.27 0.649 0.72 1.42 0.422 0.472061435973353 0.909203157012182 1.5001 0.8777 3178442 Maybridge4_000382 Cc1c(C)c(C)c2[nH]c(SCc3nc(no3)c4ccc(Cl)cc4)nc2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B09 compound treatment -0.216 -0.0866 -0.12 -0.689 -0.618 -1.22 -1.082 -1.03193856402665 -1.98754172393063 -1.9226 -0.8234 3063257 Maybridge4_000383 CSC1=C(C#N)C(=O)NC(S1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B10 compound treatment -1.325 -1.2 -1.7 -2.49 -2.42 -4.78 -1.908 -1.85793856402665 -3.5784401758314 -5.8046 -0.9355 3178443 Maybridge4_000384 C/C(=N\Cc1ccccc1)/c2c(C)cc(C)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B11 compound treatment 0.173 0.302 0.43 -1.016 -0.945 -1.87 -1.087 -1.03693856402665 -1.99717185983802 -1.9816 -0.7164 1417340 Maybridge4_000385 COc1cc(cc(OC)c1OC)C2Nc3ccccc3S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B12 compound treatment -0.846 -0.717 -1.02 -0.231 -0.16 -0.32 -0.058 -0.00793856402664701 -0.015289890097225 -0.779 -0.7303 1464378 Maybridge4_000386 N#CC1CN(CCc2ccccc2)CN(CCc3ccccc3)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B13 compound treatment -1.708 -1.58 -2.24 -1.065 -0.994 -1.96 -1.0 -0.949938564026647 -1.82960749504944 -3.4848 -0.9963 1213608 Maybridge4_000387 COc1cc(CO)c(CC(=O)NN)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B14 compound treatment -0.877 -0.748 -1.06 0.016 0.0874 0.17 -0.254 -0.203938564026647 -0.3927912176669 -0.7408 -0.6463 1103050 Maybridge4_000388 CC1(C)OC(=O)C(=Cc2ccc[nH]2)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B15 compound treatment -0.974 -0.845 -1.2 -0.121 -0.0496 -0.1 -0.606 -0.555938564026647 -1.07075278554713 -1.368 -0.8487 1559616 Maybridge4_000389 COc1cc(OC)cc(c1)c2nc(N)c3c(C)c(sc3n2)c4ccc(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B16 compound treatment -0.339 -0.21 -0.3 -0.29 -0.219 -0.43 -0.333 -0.282938564026647 -0.544947365003656 -0.7358 -0.9729 1513039 Maybridge4_000390 Cc1onc(c1NC(=O)N2CCCC2=O)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B17 compound treatment 0.358 0.487 0.69 0.592 0.663 1.31 0.462 0.512061435973353 0.9862442442713 1.7258 0.9695 1918178 Maybridge4_000391 Cc1ccc(NC(=O)C2C(C3CC2C=C3)C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B18 compound treatment 0.044 0.173 0.25 0.206 0.277 0.55 -0.344 -0.293938564026647 -0.566133663999913 0.1318 0.1596 3178444 Maybridge4_000392 CS/C(=N\c1ccccc1C(F)(F)F)/N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B19 compound treatment 0.113 0.242 0.34 0.208 0.279 0.55 -0.358 -0.307938564026647 -0.593098044540605 0.1751 0.1989 3178445 Maybridge4_000393 CCOC(=O)c1nc2ccccc2c(=O)n1/N=C/c3cc(Cl)cc(Cl)c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B20 compound treatment -0.097 0.0324 0.05 -0.19 -0.119 -0.23 -0.423 -0.372938564026647 -0.71828981133667 -0.5233 -0.6913 3063259 Maybridge4_000394 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B21 compound treatment 0.124 0.253 0.36 -0.443 -0.372 -0.73 -0.425 -0.374938564026647 -0.722141865699626 -0.6325 -0.5799 3063260 Maybridge4_000395 CSC(=NS(=O)(=O)c1ccccc1)SC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B22 compound treatment 0.159 0.288 0.41 0.244 0.315 0.62 0.118 0.168061435973353 0.323690893842891 0.7832 0.9635 1232359 Maybridge4_000396 Cc1onc(c1C(=O)ON2C(=O)CCC2=O)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B23 mock treatment 0.258 0.387 0.55 0.125 0.196 0.39 0.294 0.344061435973353 0.662671677783007 0.9245 0.9784 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 B24 mock treatment 0.269 0.398 0.57 0.062 0.133 0.26 0.208 0.258061435973353 0.497033340175905 0.7661 0.9597 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C01 compound treatment -0.6 -0.471 -0.67 -0.449 -0.378 -0.75 -0.229 -0.178938564026647 -0.344640538129951 -1.0157 -0.9588 3063261 Maybridge4_000397 CN(C(=O)COc1cc(n(C)n1)C(F)(F)F)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C02 compound treatment -0.451 -0.322 -0.46 -0.29 -0.219 -0.43 -0.176 -0.125938564026647 -0.242561097511621 -0.6532 -0.9693 1015362 Maybridge4_000398 CCOC(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C03 compound treatment -1.0 -0.871 -1.24 0.284 0.355 0.7 0.0 0.050061435973353 0.096419686428495 -0.2538 -0.1779 1410184 Maybridge4_000399 Cc1ccc(Oc2ncccc2NC(=O)c3ccc(Cl)cc3Cl)c4CCCc41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C04 compound treatment -1.078 -0.949 -1.35 -0.955 -0.884 -1.74 -0.469 -0.418938564026647 -0.806887061684655 -2.2518 -0.959 1430911 Maybridge4_000400 OC(=O)CCC(=O)c1ccc2OCCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C05 compound treatment -0.293 -0.164 -0.23 -0.127 -0.0556 -0.11 -0.274 -0.223938564026647 -0.431311761296458 -0.4466 -0.8894 3063262 Maybridge4_000401 COc1cc(OC)nc(N/C=N/O)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C06 compound treatment -0.06 0.0694 0.1 -0.057 0.0144 0.03 -0.434 -0.383938564026647 -0.739476110332927 -0.3535 -0.4735 1594886 Maybridge4_000402 Cn1c(=O)cc(Nc2ccccc2)c3c(=O)n(c4ccccc4)c(=O)n(c5ccccc5)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C07 compound treatment -1.878 -1.75 -2.49 -0.734 -0.663 -1.31 -1.691 -1.64093856402665 -3.16049227745069 -4.0154 -0.9496 3063263 Maybridge4_000403 OC(=O)c1cc(=O)c2c(O)cccc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C08 compound treatment -0.342 -0.213 -0.3 -0.453 -0.382 -0.75 -0.108 -0.057938564026647 -0.111591249171122 -0.6739 -0.8224 3063264 Maybridge4_000404 CC(C)NC(=O)Oc1cccc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C09 compound treatment -0.12 0.00941 0.01 -0.919 -0.848 -1.67 -1.592 -1.54193856402665 -2.96981558648437 -2.6731 -0.7842 3178446 Maybridge4_000405 COC(=O)c1ccc(cc1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C10 compound treatment -0.026 0.103 0.15 -0.954 -0.883 -1.74 -0.23 -0.179938564026647 -0.346566565311429 -1.1213 -0.629 1676301 Maybridge4_000406 COC(=O)C1C(NC(C(C(=O)OC)S1(=O)=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C11 compound treatment -0.083 0.0464 0.07 -1.213 -1.14 -2.25 -0.364 -0.313938564026647 -0.604654207629472 -1.6124 -0.6906 3063265 Maybridge4_000407 O=C1CC(=NN1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C12 compound treatment 0.364 0.493 0.7 -0.241 -0.17 -0.33 -0.333 -0.282938564026647 -0.544947365003656 -0.1029 -0.1084 1343081 Maybridge4_000408 CC(C1CC1)N(C(=O)c2cc(C)c(Cl)cc2Cl)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C13 compound treatment -0.804 -0.675 -0.96 -0.333 -0.262 -0.52 -0.2 -0.149938564026647 -0.288785749867091 -1.0187 -0.9039 1138226 Maybridge4_000409 COc1ccc2c(c1)nnc3n[nH]c(=O)n32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C14 compound treatment -1.155 -1.03 -1.46 -1.549 -1.48 -2.92 -2.275 -2.22493856402665 -4.2852921514338 -5.0004 -0.9285 1419670 Maybridge4_000410 OC(=O)CNC(=O)CSc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C15 compound treatment -0.877 -0.748 -1.06 -0.531 -0.46 -0.91 -0.277 -0.226938564026647 -0.437089842840892 -1.3899 -0.9492 3063266 Maybridge4_000411 CC1=C(C#N)C(C(=C(C)N1)C#N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C16 compound treatment 0.109 0.238 0.34 0.524 0.595 1.18 0.574 0.624061435973353 1.20195928859683 1.5684 0.9144 3178530 Maybridge4_000412 CCC1(CCCCN(C)C1=O)c2cccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C17 compound treatment -0.886 -0.757 -1.08 -0.303 -0.232 -0.46 -0.186 -0.135938564026647 -0.2618213693264 -1.0362 -0.8651 1346230 Maybridge4_000413 N#Cc1cccc2cccc(Sc3ccccc3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C18 compound treatment -0.046 0.0834 0.12 -0.414 -0.343 -0.68 -0.338 -0.287938564026647 -0.554577500911046 -0.6422 -0.7276 1555561 Maybridge4_000414 COc1ccc(OC)c(CCCc2cc(OC)ccc2OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C19 compound treatment 0.042 0.171 0.24 0.23 0.301 0.6 0.471 0.521061435973353 1.0035784889046 1.0638 0.8924 3063267 Maybridge4_000415 CCN(CC)C(=O)Nc1ccc(OC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C20 compound treatment 0.068 0.197 0.28 0.043 0.114 0.23 0.105 0.155061435973353 0.298652540483678 0.4649 0.9934 1920088 Maybridge4_000416 S=c1nc(c2ccco2)n(Cc3ccccc3)c(=S)n1/C(=N/Cc4ccccc4)/c5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C21 compound treatment 0.222 0.351 0.5 -0.293 -0.222 -0.44 -0.716 -0.665938564026647 -1.2826157755097 -0.7046 -0.4879 3178531 Maybridge4_000417 FC(F)(F)c1cccc(c1)c2nc3ccccn3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C22 compound treatment -0.137 -0.00759 -0.01 -0.395 -0.324 -0.64 -0.119 -0.068938564026647 -0.132777548167379 -0.4517 -0.6922 3178532 Maybridge4_000418 O=C(/C=C\1/NN=C(NC1=O)c2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C23 mock treatment -0.095 0.0344 0.05 -0.014 0.0574 0.11 0.274 0.324061435973353 0.624151134153448 0.4541 0.7137 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 C24 mock treatment -0.137 -0.00759 -0.01 -0.092 -0.0206 -0.04 -0.109 -0.058938564026647 -0.1135172763526 -0.0952 -0.7866 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D01 compound treatment -1.364 -1.23 -1.76 -0.827 -0.756 -1.49 -0.931 -0.880938564026647 -1.69671161952746 -2.8544 -0.9977 3178533 Maybridge4_000419 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3NC(=O)[C@H]([C@@H]3c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D02 compound treatment -0.734 -0.605 -0.86 -0.47 -0.399 -0.79 -0.345 -0.294938564026647 -0.568059691181391 -1.2786 -0.9862 3063268 Maybridge4_000420 FC(F)(F)c1cc(c(Br)c(c1Br)n2cccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D03 compound treatment -0.449 -0.32 -0.45 -0.667 -0.596 -1.18 -1.074 -1.02393856402665 -1.9721335064788 -2.0799 -0.8886 1316662 Maybridge4_000421 Clc1ccc(NC(=S)NC(Cn2ccnc2)c3ccccc3)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D04 compound treatment -0.784 -0.655 -0.93 0.113 0.184 0.36 0.361 0.411061435973353 0.791715498942028 0.13 0.102 1725083 Maybridge4_000422 Cc1c(N)c2c(cc1N3CCCC3)C(C)(C)CC2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D05 compound treatment -2.823 -2.69 -3.83 -3.056 -2.98 -5.89 -2.418 -2.36793856402665 -4.56071403838514 -8.2466 -0.9843 1718122 Maybridge4_000423 C1c2sc(Nc3ccccc3)nc2-c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D06 compound treatment 0.203 0.332 0.47 0.128 0.199 0.39 -0.167 -0.116938564026647 -0.22522685287832 0.3702 0.5651 3178534 Maybridge4_000424 FC(F)(F)c1cc(cc(c1)S(=O)(=O)N=C2NCCCN2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D07 compound treatment 0.115 0.244 0.35 -0.253 -0.182 -0.36 0.0 0.050061435973353 0.096419686428495 0.0493 0.097 1138900 Maybridge4_000425 CC(C)(C)NC(=O)NCc1ccncc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D08 compound treatment -0.843 -0.714 -1.01 -0.484 -0.413 -0.81 -0.235 -0.184938564026647 -0.356196701218819 -1.2617 -0.9353 3178535 Maybridge4_000426 FC(F)(F)c1cc(NCN2C(=O)CCC2=O)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D09 compound treatment 0.159 0.288 0.41 -0.162 -0.0906 -0.18 -0.329 -0.278938564026647 -0.537243256277745 -0.1767 -0.2527 3178536 Maybridge4_000427 COc1cccc(NC2=C(C#N)C(=O)NC(S2)c3cccc(OC)c3O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D10 compound treatment -1.034 -0.905 -1.29 -0.595 -0.524 -1.03 -0.161 -0.110938564026647 -0.213670689789452 -1.4628 -0.8791 3063269 Maybridge4_000428 Clc1ccc(cc1)S(=O)(=O)CS(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D11 compound treatment -0.127 0.00241 0.0 -1.176 -1.1 -2.18 -0.129 -0.078938564026647 -0.152037819982158 -1.345 -0.6152 1023491 Maybridge4_000429 Oc1ccc(Br)cc1C2Nc3ccccc3S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D12 compound treatment 0.246 0.375 0.53 -2.042 -1.97 -3.89 -1.921 -1.87093856402665 -3.60347852919061 -4.0187 -0.754 3178537 Maybridge4_000430 C/C(=N\O)/c1nnn(c1C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D13 compound treatment -0.419 -0.29 -0.41 0.17 0.241 0.48 -0.34 -0.289938564026647 -0.558429555274002 -0.2849 -0.3384 1381610 Maybridge4_000431 CC1(C)C2CCC(C2)C1(C)NC(=S)NCC3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D14 compound treatment -0.016 0.113 0.16 0.06 0.131 0.26 0.036 0.086061435973353 0.165756664961701 0.3386 0.9742 3178538 Maybridge4_000432 FC(F)(F)c1cccc(CS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D15 compound treatment -0.429 -0.3 -0.43 -0.271 -0.2 -0.39 -0.407 -0.356938564026647 -0.687473376433023 -0.8703 -0.9674 1650135 Maybridge4_000433 Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NCc3cccnc3)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D16 compound treatment -0.218 -0.0886 -0.13 -0.079 -0.00756 -0.01 -0.296 -0.245938564026647 -0.473684359288973 -0.3548 -0.7236 1002759 Maybridge4_000434 OC(C(O)C(O)c1nc2ccccc2[nH]1)C(O)c3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D17 compound treatment -1.745 -1.62 -2.3 -0.78 -0.709 -1.4 -1.037 -0.986938564026647 -1.90087050076412 -3.2314 -0.9812 1658002 Maybridge4_000435 Cc1c(C)c(C)c(CSC2CC(=O)N(C2=O)c3ccccc3)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D18 compound treatment -0.127 0.00241 0.0 -0.341 -0.27 -0.53 -0.217 -0.166938564026647 -0.321528211952216 -0.491 -0.7895 3062531 Maybridge4_000436 Clc1ccc(cc1Cl)S(=O)(=O)NC(=N)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D19 compound treatment 0.046 0.175 0.25 -0.009 0.0624 0.12 -0.28 -0.229938564026647 -0.442867924385326 -0.0405 -0.0775 2117992 Maybridge4_000437 COc1cccc(/C=N/O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D20 compound treatment -1.12 -0.991 -1.41 -0.316 -0.245 -0.48 -0.09 -0.039938564026647 -0.0769227599045188 -1.1364 -0.7622 1204180 Maybridge4_000438 Clc1ccc(cc1Cl)S(=O)(=O)NCCc2c[nH]c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D21 compound treatment 0.471 0.6 0.85 0.126 0.197 0.39 -0.764 -0.713938564026647 -1.37506508022064 -0.076 -0.0456 3062533 Maybridge4_000439 CS/C(=N\S(=O)(=O)c1ccccc1)/N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D22 compound treatment -0.677 -0.548 -0.78 -0.075 -0.00356 -0.01 0.705 0.755061435973353 1.45426884937044 0.3861 0.234 1417838 Maybridge4_000440 COC(=O)CC1(Oc2ccc(Br)cc2C(=O)N1c3ccc(F)cc3F)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D23 mock treatment 0.185 0.314 0.45 -0.056 0.0154 0.03 0.309 0.359061435973353 0.691562085505176 0.675 0.8191 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 D24 mock treatment -0.697 -0.568 -0.81 -0.027 0.0444 0.09 -0.033 0.017061435973353 0.0328607894397233 -0.3963 -0.4878 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E01 compound treatment -0.823 -0.694 -0.99 -0.047 0.0244 0.05 0.227 0.277061435973353 0.533627856623985 -0.2334 -0.208 3062534 Maybridge4_000441 Cn1nc(OC(C)(C)C(=O)Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E02 compound treatment -0.065 0.0644 0.09 0.051 0.122 0.24 0.243 0.293061435973353 0.564444291527632 0.5183 0.8349 1024184 Maybridge4_000442 CCC(=O)c1ccc(OC)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E03 compound treatment -0.492 -0.363 -0.52 -0.167 -0.0956 -0.19 -0.129 -0.078938564026647 -0.152037819982158 -0.4944 -0.8678 1519339 Maybridge4_000443 Cc1ccc(Oc2ncccc2NC(=O)CSc3ccccn3)c4CCCc41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E04 compound treatment 0.129 0.258 0.37 -0.625 -0.554 -1.09 -0.63 -0.579938564026647 -1.1169774379026 -1.0638 -0.6627 3062535 Maybridge4_000444 Cc1cc(=O)n(CCO)c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E05 compound treatment 0.033 0.162 0.23 -0.187 -0.116 -0.23 -1.227 -1.17693856402665 -2.26681566524493 -1.3072 -0.5708 3178539 Maybridge4_000445 OC(=O)CC(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C2=CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E06 compound treatment -0.135 -0.00559 -0.01 0.48 0.551 1.09 0.316 0.366061435973353 0.705044275775521 1.0311 0.7949 1643916 Maybridge4_000446 O=C(N1CCCCC1)c2cccc3Cc4ccccc4-c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E07 compound treatment -0.62 -0.491 -0.7 -1.227 -1.16 -2.28 -1.884 -1.83393856402665 -3.53221552347593 -3.7594 -0.882 3178540 Maybridge4_000447 OC(=O)c1oc(C(=O)O)c(OCc2ccccc2)c1OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E08 compound treatment -0.64 -0.511 -0.73 -0.537 -0.466 -0.92 -0.526 -0.475938564026647 -0.916670611028897 -1.4791 -0.9944 3062536 Maybridge4_000448 O=C(Oc1ccccc1)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E09 compound treatment -0.351 -0.222 -0.32 -0.088 -0.0166 -0.03 -0.139 -0.088938564026647 -0.171298091796938 -0.2997 -0.8322 1039079 Maybridge4_000449 OC(=O)c1cccc(Cl)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E10 compound treatment -0.455 -0.326 -0.46 -0.341 -0.27 -0.53 -1.221 -1.17093856402665 -2.25525950215606 -1.8766 -0.7942 1423015 Maybridge4_000450 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E11 compound treatment 0.074 0.203 0.29 0.097 0.168 0.33 0.456 0.506061435973353 0.974688081182432 0.9217 0.8617 3178542 Maybridge4_000451 OC(Cn1ccccc1=N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E12 compound treatment 0.159 0.288 0.41 -0.508 -0.437 -0.86 -0.056 -0.005938564026647 -0.0114378357342692 -0.2675 -0.2802 3062537 Maybridge4_000452 CC(C1CC1)N(C(=O)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E13 compound treatment -0.619 -0.49 -0.7 -0.169 -0.0976 -0.19 -0.247 -0.196938564026647 -0.379309027396554 -0.7321 -0.8974 1704451 Maybridge4_000453 CN(C)C(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E14 compound treatment 0.108 0.237 0.34 0.716 0.787 1.55 0.573 0.623061435973353 1.20003326141535 1.7854 0.8959 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E15 compound treatment -0.708 -0.579 -0.82 -0.201 -0.13 -0.26 -0.5 -0.449938564026647 -0.866593904310471 -1.123 -0.919 3062540 Maybridge4_000455 COc1ccc2c(OC)ccc3C(=O)C=Cc1c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E16 compound treatment 0.207 0.336 0.48 0.057 0.128 0.25 0.071 0.121061435973353 0.233167616313428 0.5572 0.9453 1289531 Maybridge4_000456 Clc1ccc(cc1)C(=O)OC2CN3CCC2CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E17 compound treatment 0.104 0.233 0.33 0.445 0.516 1.02 -0.377 -0.326938564026647 -0.629692560988685 0.4168 0.3351 1672892 Maybridge4_000457 CNC(=O)c1ccccc1S(=O)c2cccc3cccc(C(=O)O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E18 compound treatment -0.463 -0.334 -0.47 -0.327 -0.256 -0.5 -0.253 -0.202938564026647 -0.390865190485422 -0.7908 -0.9945 3062541 Maybridge4_000458 COc1ccc(OC)c(CCCCc2cc(OC)ccc2OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E19 compound treatment -0.108 0.0214 0.03 -0.477 -0.406 -0.8 -0.543 -0.492938564026647 -0.949413073114022 -0.9929 -0.7992 3178544 Maybridge4_000459 Clc1ccc(S/C=C/C(=O)c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E20 compound treatment -0.152 -0.0226 -0.03 -0.667 -0.596 -1.18 -1.103 -1.05293856402665 -2.02798829474166 -1.8683 -0.7969 3062542 Maybridge4_000460 C/C(=N\O)/C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E21 compound treatment -0.108 0.0214 0.03 0.036 0.107 0.21 0.052 0.102061435973353 0.196573099865347 0.2535 0.8719 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E22 compound treatment -0.939 -0.81 -1.15 -0.089 -0.0176 -0.03 -1.025 -0.974938564026647 -1.87775817458638 -1.7687 -0.803 3062543 Maybridge4_000462 CC1(C)N(O)C(NC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E23 mock treatment -0.165 -0.0356 -0.05 0.159 0.23 0.46 0.06 0.110061435973353 0.211981317317171 0.3559 0.7054 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 E24 mock treatment -0.123 0.00641 0.01 0.141 0.212 0.42 0.1 0.150061435973353 0.289022404576288 0.4143 0.8132 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F01 compound treatment -1.508 -1.38 -1.96 -0.355 -0.284 -0.56 -0.62 -0.569938564026647 -1.09771716608782 -2.0887 -0.9021 3178546 Maybridge4_000463 Fc1ccc2CC(=O)C(Cc2c1)C3=Cc4ccc(F)cc4CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F02 compound treatment -0.507 -0.378 -0.54 -0.318 -0.247 -0.49 -0.214 -0.163938564026647 -0.315750130407782 -0.7733 -0.9783 1526672 Maybridge4_000464 COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)n2n4cccc4)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F03 compound treatment 2.265 2.39 2.13 0.639 0.71 1.4 0.067 0.117061435973353 0.225463507587516 2.1715 0.8473 3062544 Maybridge4_000465 CC(OC(=O)c1cccc(Cl)c1)c2ccc[n+](C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F04 compound treatment -1.125 -0.996 -1.42 -0.443 -0.372 -0.73 -0.536 -0.485938564026647 -0.935930882843676 -1.7812 -0.9635 1352177 Maybridge4_000466 CSc1cccc(NC(=S)Nc2cc3c(c(N)c2C)C(C)(C)CC3(C)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F05 compound treatment -0.071 0.0584 0.08 -0.34 -0.269 -0.53 -0.375 -0.324938564026647 -0.625840506625729 -0.6195 -0.7514 3062545 Maybridge4_000467 CC(C=C1C(=O)NC(=O)NC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F06 compound treatment -0.079 0.0504 0.07 -0.281 -0.21 -0.41 -0.522 -0.471938564026647 -0.908966502302985 -0.7223 -0.7214 3062546 Maybridge4_000468 SC1=NC2(CCCC2)NN1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F07 compound treatment 0.088 0.217 0.31 -1.109 -1.04 -2.05 -1.623 -1.57293856402665 -3.02952242911019 -2.7534 -0.7502 3178547 Maybridge4_000469 C(c1ccc(/N=C/c2ccccn2)cc1)c3ccc(/N=C/c4ccccn4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F08 compound treatment 0.162 0.291 0.41 -0.321 -0.25 -0.49 -0.206 -0.155938564026647 -0.300341912955959 -0.2187 -0.3078 1528873 Maybridge4_000470 O=C1CCC(=O)N1CNc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F09 compound treatment 0.198 0.327 0.47 -0.633 -0.562 -1.11 -0.671 -0.620938564026647 -1.1959445523432 -1.0619 -0.6261 1318293 Maybridge4_000471 CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F10 compound treatment 0.133 0.262 0.37 -0.462 -0.391 -0.77 -0.562 -0.511938564026647 -0.986007589562103 -0.7991 -0.6118 3178548 Maybridge4_000472 Clc1ccc(SCc2ccc(NC(=O)Nc3cccc(Cl)c3)o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F11 compound treatment 0.177 0.306 0.44 -1.635 -1.56 -3.09 -0.844 -0.793938564026647 -1.52914725473888 -2.4138 -0.6951 3062547 Maybridge4_000473 NC(=N)Nc1nc(cs1)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F12 compound treatment -2.134 -2.0 -2.85 -0.859 -0.788 -1.56 -0.857 -0.806938564026647 -1.55418560809809 -3.4406 -0.9558 3178625 Maybridge4_000474 CS/C(=C(/C#N)\C(=O)c1cccs1)/Nc2cccc(Cl)c2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F13 compound treatment -0.739 -0.61 -0.87 -0.197 -0.126 -0.25 -0.288 -0.237938564026647 -0.458276141837149 -0.9081 -0.898 3178626 Maybridge4_000475 OC(Cc1ccccc1)(c2ccccc2)c3ccccc3NC(=S)NC4CC5CC4C=C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F14 compound treatment -1.161 -1.03 -1.47 -0.746 -0.675 -1.33 -0.676 -0.625938564026647 -1.20557468825059 -2.3118 -0.9968 3062548 Maybridge4_000476 Cc1nnsc1C(=O)Nc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F15 compound treatment -1.233 -1.1 -1.57 -0.903 -0.832 -1.64 -0.939 -0.888938564026647 -1.71211983697928 -2.8424 -0.9994 1004988 Maybridge4_000477 ON=C(Cc1ccccc1)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F16 compound treatment -0.953 -0.824 -1.17 -1.063 -0.992 -1.96 -0.533 -0.482938564026647 -0.930152801299243 -2.3434 -0.9512 3178627 Maybridge4_000478 Cc1onc(c1C(=O)NC(=S)N2CCOCC2)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F17 compound treatment -0.325 -0.196 -0.28 -0.471 -0.4 -0.79 -0.435 -0.384938564026647 -0.741402137514405 -1.0441 -0.9341 3062549 Maybridge4_000479 NC(=O)Nc1ccc(cc1)/C(=C/c2ccncc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F18 compound treatment -0.258 -0.129 -0.18 -0.617 -0.546 -1.08 -0.967 -0.916938564026647 -1.76604859806066 -1.7471 -0.8413 3062550 Maybridge4_000480 CN(C)C(=S)SCc1c(C)c(C)c(C)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F19 compound treatment 0.0 0.129 0.18 -0.153 -0.0816 -0.16 -0.277 -0.226938564026647 -0.437089842840892 -0.2391 -0.4774 3178628 Maybridge4_000481 COc1ccc(cc1)n2c(CC#N)nnc2SCc3c(C)c(C)c(C)c(C)c3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F20 compound treatment 0.057 0.186 0.27 -0.333 -0.262 -0.52 -0.284 -0.233938564026647 -0.450572033111238 -0.4053 -0.5515 3178629 Maybridge4_000482 CC1(C)ON(C(=N1)NC(=O)NC(=O)c2ccccc2Cl)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F21 compound treatment 0.198 0.327 0.47 -0.541 -0.47 -0.93 -0.547 -0.496938564026647 -0.957117181839934 -0.8191 -0.5803 3062551 Maybridge4_000483 O=S(=O)(/N=C/1\NCC2CCCC2N1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F22 compound treatment -0.383 -0.254 -0.36 -1.84 -1.77 -3.49 -1.258 -1.20793856402665 -2.32652250787074 -3.5675 -0.8471 3178630 Maybridge4_000484 CC(CO)(CO)NC(=S)Nc1ccc(F)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F23 mock treatment 0.115 0.244 0.35 0.031 0.102 0.2 0.138 0.188061435973353 0.36221143747245 0.5265 0.9729 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 F24 mock treatment -0.03 0.0994 0.14 0.369 0.44 0.87 0.25 0.300061435973353 0.577926481797978 0.9174 0.8706 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G01 compound treatment -2.173 -2.04 -2.91 -2.623 -2.55 -5.04 -0.797 -0.746938564026647 -1.43862397720942 -5.4168 -0.9041 1441207 Maybridge4_000485 CC(C)(C)c1cc2[nH]c(=N)[nH]c(=N)n2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G02 compound treatment -0.446 -0.317 -0.45 -0.269 -0.198 -0.39 -0.5 -0.449938564026647 -0.866593904310471 -0.9854 -0.9371 1390371 Maybridge4_000486 O=c1c(Cc2ccccc2OCc3ccccc3)coc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G03 compound treatment -1.852 -1.72 -2.45 -1.244 -1.17 -2.32 -0.97 -0.919938564026647 -1.7718266796051 -3.7737 -0.9911 3062552 Maybridge4_000487 COc1ccccc1C2OC(=O)C[C@H]2C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G04 compound treatment -0.952 -0.823 -1.17 -0.556 -0.485 -0.96 -0.305 -0.254938564026647 -0.491018603922274 -1.5111 -0.9511 1630105 Maybridge4_000488 Brc1ccc(cc1)C(=O)c2cc3OCCCOc3cc2Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G05 compound treatment -0.136 -0.00659 -0.01 -0.393 -0.322 -0.63 -0.196 -0.145938564026647 -0.28108164114118 -0.5343 -0.7694 1255736 Maybridge4_000489 COc1cc(OC)nc(NCC(NC(=O)c2ccccc2)C(=O)N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G06 compound treatment -0.036 0.0934 0.13 -0.947 -0.876 -1.73 -1.012 -0.961938564026647 -1.85271982122717 -1.9911 -0.7847 1191076 Maybridge4_000490 CNc1cc(=O)n(c2ccccc2)c(=O)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G07 compound treatment -0.304 -0.175 -0.25 -0.292 -0.221 -0.44 -0.221 -0.170938564026647 -0.329232320678128 -0.5848 -0.9752 1024944 Maybridge4_000491 CCOC(=O)c1oc(C(=O)OCC)c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G08 compound treatment -0.277 -0.148 -0.21 -0.687 -0.616 -1.22 -0.23 -0.179938564026647 -0.346566565311429 -1.023 -0.7985 3062592 Maybridge4_000492 CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G09 compound treatment 0.254 0.383 0.55 0.447 0.518 1.02 -0.592 -0.541938564026647 -1.04378840500644 0.3031 0.1943 3062593 Maybridge4_000493 O=C1N(CCCCN2C(=O)c3ccccc3S2(=O)=O)S(=O)(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G10 compound treatment -0.404 -0.275 -0.39 -0.826 -0.755 -1.49 -1.078 -1.02793856402665 -1.97983761520472 -2.2287 -0.8885 3062594 Maybridge4_000494 Cc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c3ccc(F)c(Cl)c3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G11 compound treatment 0.217 0.346 0.49 -0.453 -0.382 -0.75 -0.25 -0.199938564026647 -0.385087108940988 -0.373 -0.3809 1051499 Maybridge4_000495 CC(O)c1ccc2ccccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G12 compound treatment 0.255 0.384 0.55 -0.884 -0.813 -1.6 -0.688 -0.637938564026647 -1.22868701442832 -1.3201 -0.6306 1332464 Maybridge4_000496 OCCOC(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G13 compound treatment -0.509 -0.38 -0.54 -0.174 -0.103 -0.2 -0.214 -0.163938564026647 -0.315750130407782 -0.6108 -0.9293 1397918 Maybridge4_000497 CCCN(CCC)C(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G14 compound treatment -0.403 -0.274 -0.39 0.039 0.11 0.22 -0.139 -0.088938564026647 -0.171298091796938 -0.1976 -0.4136 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G15 compound treatment -1.06 -0.931 -1.32 -0.36 -0.289 -0.57 -0.419 -0.368938564026647 -0.710585702610758 -1.5031 -0.9358 3062595 Maybridge4_000499 O=C(OC1=CC(=O)c2cccc3cccc1c23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G16 compound treatment -0.607 -0.478 -0.68 0.349 0.42 0.83 -0.1 -0.049938564026647 -0.0961830317192982 0.0317 0.0295 1645132 Maybridge4_000500 O=C(NC1CCN(Cc2cccc3ccccc23)CC1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G17 compound treatment -1.169 -1.04 -1.48 -0.26 -0.189 -0.37 -0.763 -0.712938564026647 -1.37313905303917 -1.8611 -0.9072 1430296 Maybridge4_000501 OCc1cccc2cccc(S(=O)c3cccc4cccc(C(=O)O)c34)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G18 compound treatment -0.003 0.126 0.18 -0.371 -0.3 -0.59 -0.725 -0.674938564026647 -1.29995002014301 -0.9883 -0.6866 1284168 Maybridge4_000502 Brc1ccc(Cc2csc3ccccc3c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G19 compound treatment -0.645 -0.516 -0.73 -0.82 -0.749 -1.48 -0.676 -0.625938564026647 -1.20557468825059 -1.9726 -0.9654 3178632 Maybridge4_000503 FC(F)(F)Oc1ccccc1NC(=O)CC(=O)Nc2ccccc2OC(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G20 compound treatment -0.591 -0.462 -0.66 -0.97 -0.899 -1.77 -0.904 -0.853938564026647 -1.64470888562756 -2.3528 -0.9386 1186920 Maybridge4_000504 NNC(=O)C1(CCCC2CCC1)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G21 compound treatment 0.016 0.145 0.21 -0.6 -0.529 -1.04 -0.464 -0.413938564026647 -0.797256925777265 -0.9435 -0.7097 3062596 Maybridge4_000505 FC1(C(=O)Nc2c(Cl)c(Cl)ccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G22 compound treatment -0.711 -0.582 -0.83 -0.054 0.0174 0.03 -0.043 0.007061435973353 0.013600517624944 -0.4497 -0.5433 3178633 Maybridge4_000506 CC(C)(C)OC(=O)Cn1ccc(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G23 mock treatment 0.103 0.232 0.33 -0.027 0.0444 0.09 0.132 0.182061435973353 0.350655274383582 0.4439 0.9064 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 G24 mock treatment -0.494 -0.365 -0.52 0.113 0.184 0.36 0.136 0.186061435973353 0.358359383109494 0.1179 0.162 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H01 compound treatment -2.4 -2.27 -3.23 -0.817 -0.746 -1.47 -2.585 -2.53493856402665 -4.88236057769196 -5.5326 -0.9167 3178634 Maybridge4_000507 O/N=C(/C1CC2CCC1CC2)\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H02 compound treatment -0.045 0.0844 0.12 0.1 0.171 0.34 0.107 0.157061435973353 0.302504594846634 0.4394 0.9357 1138209 Maybridge4_000508 N1C(c2cccn2-c3ccccc13)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H03 compound treatment -0.467 -0.338 -0.48 -0.189 -0.118 -0.23 -0.4 -0.349938564026647 -0.673991186162678 -0.8003 -0.9312 1326325 Maybridge4_000509 Cc1c(C)c(C)c(CN2C(=O)c3ccccc3C2=O)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H04 compound treatment 0.127 0.256 0.36 0.671 0.742 1.47 0.07 0.120061435973353 0.23124158913195 1.1904 0.7789 3062597 Maybridge4_000510 Cc1c(cc2c(c1n3cccc3)C(C)(C)CC2(C)C)N4CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H05 compound treatment -2.056 -1.93 -2.74 -0.655 -0.584 -1.15 -0.225 -0.174938564026647 -0.33693642940404 -2.4413 -0.8163 3178635 Maybridge4_000511 Fc1ccc(cc1)C(=O)CSc2nsc(SCC(=O)c3ccc(F)cc3)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H06 compound treatment -0.221 -0.0916 -0.13 0.215 0.286 0.57 -0.062 -0.011938564026647 -0.0229939988231368 0.2381 0.4099 3178636 Maybridge4_000512 CC(C)C1CCC(C)CC1NC(=S)Nc2cccc(F)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H07 compound treatment 0.101 0.23 0.33 -0.295 -0.224 -0.44 -0.071 -0.020938564026647 -0.0403282434564381 -0.089 -0.1615 1248377 Maybridge4_000513 CC1CCCCN1C(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H08 compound treatment 0.185 0.314 0.45 0.538 0.609 1.2 0.055 0.105061435973353 0.202351181409781 1.0697 0.8231 3178637 Maybridge4_000514 COc1cccc(OC)c1C(=O)Nc2cc(c(Cl)cc2OC)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H09 compound treatment 1.0 1.13 1.61 -1.473 -1.4 -2.77 -0.026 0.024061435973353 0.0463429797100688 -0.6439 -0.2012 1054040 Maybridge4_000515 CC(C)C1=NNC(=O)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H10 compound treatment -0.303 -0.174 -0.25 -0.422 -0.351 -0.69 0.076 0.126061435973353 0.242797752220818 -0.402 -0.5194 1253333 Maybridge4_000516 Nc1nc2c(nnn2c3ccccc13)C(=O)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H11 compound treatment -0.047 0.0824 0.12 -3.363 -3.29 -6.5 -0.692 -0.641938564026647 -1.23639112315423 -4.3985 -0.6647 1700266 Maybridge4_000517 COc1ccc(CCNC(=S)NCCc2ccccc2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H12 compound treatment 0.418 0.547 0.78 0.086 0.157 0.31 -0.45 -0.399938564026647 -0.770292545236574 0.1841 0.1617 3178638 Maybridge4_000518 O/N=C(\C#N)/C(=O)c1ccco1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H13 compound treatment -1.091 -0.962 -1.37 -0.672 -0.601 -1.19 -2.204 -2.15393856402665 -4.14854422154887 -3.8691 -0.8548 1672819 Maybridge4_000519 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H14 compound treatment -0.163 -0.0336 -0.05 -0.395 -0.324 -0.64 -0.302 -0.251938564026647 -0.48524052237784 -0.6766 -0.8419 3178639 Maybridge4_000520 Fc1cc(F)c(NC(=S)N2CCOCC2)c(F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H15 compound treatment -1.821 -1.69 -2.41 -2.827 -2.76 -5.44 -3.218 -3.16793856402665 -6.10153578356749 -8.0526 -0.945 1546700 Maybridge4_000521 Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NN)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H16 compound treatment -0.032 0.0974 0.14 -1.077 -1.01 -1.99 -0.067 -0.016938564026647 -0.0326241347305264 -1.0852 -0.5452 3062598 Maybridge4_000522 Fc1cccc(NCc2cccs2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H17 compound treatment -1.491 -1.36 -1.94 -0.844 -0.773 -1.53 -0.221 -0.170938564026647 -0.329232320678128 -2.1885 -0.8801 3178640 Maybridge4_000523 NC(=O)Nc1ccc(cc1)/C(=C/c2ccc(Cl)c(Cl)c2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H18 compound treatment 0.123 0.252 0.36 -0.046 0.0254 0.05 -0.25 -0.199938564026647 -0.385087108940988 0.0139 0.0262 3062599 Maybridge4_000524 CN(C)C(=S)SCC(=O)c1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H19 compound treatment -0.253 -0.124 -0.18 -1.195 -1.12 -2.22 -0.731 -0.680938564026647 -1.31150618323187 -2.1395 -0.8283 1221296 Maybridge4_000525 Cc1cc(C)c2-c3[nH]c(nc3C(C)(C)Cc2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H20 compound treatment -0.532 -0.403 -0.57 -0.33 -0.259 -0.51 -0.191 -0.140938564026647 -0.27145150523379 -0.782 -0.9611 1556252 Maybridge4_000526 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H21 compound treatment 1.236 1.37 1.74 -0.268 -0.197 -0.39 0.22 0.270061435973353 0.52014566635364 1.0834 0.5821 3062600 Maybridge4_000527 CC1CN/C(=N/S(=O)(=O)c2ccccc2)/N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H22 compound treatment -0.317 -0.188 -0.27 -0.27 -0.199 -0.39 0.315 0.365061435973353 0.703118248594043 0.0256 0.0302 1621149 Maybridge4_000528 CC1CC(C)CN(C1)c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H23 mock treatment -0.202 -0.0726 -0.1 0.276 0.347 0.69 0.289 0.339061435973353 0.653041541875617 0.7135 0.7489 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 H24 mock treatment 0.123 0.252 0.36 0.055 0.126 0.25 0.117 0.167061435973353 0.321764866661413 0.5371 0.9895 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I01 compound treatment -0.6 -0.471 -0.67 -0.293 -0.222 -0.44 -0.535 -0.484938564026647 -0.934004855662198 -1.1781 -0.9583 3062601 Maybridge4_000529 Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)c3CCCc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I02 compound treatment -0.959 -0.83 -1.18 -0.815 -0.744 -1.47 -0.682 -0.631938564026647 -1.21713085133945 -2.2313 -0.9951 3178641 Maybridge4_000530 CCOC(=O)CSc1nnc(S)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I03 compound treatment -0.111 0.0184 0.03 0.49 0.561 1.11 0.577 0.627061435973353 1.20773737014126 1.3524 0.8249 3178642 Maybridge4_000531 Cc1nc(cs1)c2cc(C#N)c(SCCNS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I04 compound treatment -0.989 -0.86 -1.22 -1.171 -1.1 -2.17 -0.043 0.007061435973353 0.013600517624944 -1.9512 -0.7832 1202864 Maybridge4_000532 Cc1ccc(cc1)C(=O)C2C(=O)N(C(=O)N(C2=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I05 compound treatment -0.919 -0.79 -1.12 0.485 0.556 1.1 -0.801 -0.750938564026647 -1.44632808593533 -0.8489 -0.3975 1219965 Maybridge4_000533 Cc1nn(nc1C(=O)ON2C(=O)C3C4OC(C=C4)C3C2=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I06 compound treatment 0.446 0.575 0.82 0.132 0.203 0.4 1.0 1.05006143597335 2.02244686790643 1.8719 0.8438 3062602 Maybridge4_000534 COc1ccc(/C=C\2/C(Oc3ccccc3C2=O)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I07 compound treatment -1.397 -1.27 -1.8 -1.682 -1.61 -3.18 -1.513 -1.46293856402665 -2.81765943914762 -4.5033 -0.9758 1277364 Maybridge4_000535 CCOC(=O)c1c(O)c(O)c(C(=O)OCC)n1c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I08 compound treatment -0.04 0.0894 0.13 -0.082 -0.0106 -0.02 -0.032 0.018061435973353 0.0347868166212012 0.0814 0.6103 1178381 Maybridge4_000536 Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I09 compound treatment 0.226 0.355 0.51 -0.054 0.0174 0.03 -0.098 -0.047938564026647 -0.0923309773563423 0.2583 0.5017 1497959 Maybridge4_000537 CC(C)C1CCC(C)CC1NC(=O)c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I10 compound treatment -0.652 -0.523 -0.74 -0.273 -0.202 -0.4 -0.128 -0.077938564026647 -0.15011179280068 -0.7454 -0.8707 1039563 Maybridge4_000538 Clc1ccc2oc(cc(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I11 compound treatment -0.207 -0.0776 -0.11 0.066 0.137 0.27 -0.145 -0.094938564026647 -0.182854254885805 -0.0126 -0.0364 1035419 Maybridge4_000539 O=C(c1ccccc1)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I12 compound treatment -0.207 -0.0776 -0.11 -1.039 -0.968 -1.91 -1.01 -0.959938564026647 -1.84886776686422 -2.2341 -0.8396 3178724 Maybridge4_000540 Sc1nn(c2ccc(Cl)cc2)c(=S)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I13 compound treatment -0.377 -0.248 -0.35 -0.36 -0.289 -0.57 -0.449 -0.398938564026647 -0.768366518055096 -0.9758 -0.9573 1060199 Maybridge4_000541 CNC(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I14 compound treatment -2.192 -2.06 -2.93 -1.061 -0.99 -1.95 -2.321 -2.27093856402665 -4.37388940178178 -5.3465 -0.9519 3178725 Maybridge4_000542 NNC(=O)c1cc(n[nH]1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I15 compound treatment -1.137 -1.01 -1.43 0.735 0.806 1.59 0.282 0.332061435973353 0.639559351605272 0.4615 0.2064 1005720 Maybridge4_000543 CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I16 compound treatment -0.485 -0.356 -0.51 -0.5 -0.429 -0.85 -0.66 -0.609938564026647 -1.17475825334694 -1.4587 -0.9512 1587057 Maybridge4_000544 COc1ccccc1C2CCN(Cc3cccc4ccccc34)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I17 compound treatment -1.02 -0.891 -1.27 -0.552 -0.481 -0.95 -0.833 -0.782938564026647 -1.50796095574262 -2.1495 -0.9834 2075442 Maybridge4_000545 CN1[S+](c2ccccc2C(=O)O)c3cccc4cccc(C1=O)c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I18 compound treatment -1.5 -1.37 -1.95 -1.196 -1.12 -2.22 -1.645 -1.59493856402665 -3.0718950271027 -4.1806 -0.9809 3178726 Maybridge4_000546 Nc1ccccc1SC(CC(=O)c2ccc(Br)cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I19 compound treatment -1.899 -1.77 -2.52 -0.911 -0.84 -1.66 -1.747 -1.69693856402665 -3.26834979961345 -4.2967 -0.9666 1287387 Maybridge4_000547 OCC(O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I20 compound treatment -0.272 -0.143 -0.2 -0.611 -0.54 -1.07 -0.704 -0.653938564026647 -1.25950344933197 -1.4593 -0.878 1441014 Maybridge4_000548 OC(=O)C1(CCCC2(CCC1)C(=O)O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I21 compound treatment 0.071 0.2 0.28 0.054 0.125 0.25 0.022 0.072061435973353 0.138792284421009 0.3876 0.9637 1343250 Maybridge4_000549 O=C1C(C2c3ccccc3Oc4ccccc24)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I22 compound treatment -1.088 -0.959 -1.36 -0.54 -0.469 -0.93 -1.12 -1.06993856402665 -2.06073075682679 -2.5108 -0.9517 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I23 mock treatment -0.182 -0.0526 -0.07 0.109 0.18 0.36 -0.041 0.009061435973353 0.0174525719878998 0.1726 0.4736 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 I24 mock treatment -0.113 0.0164 0.02 0.092 0.163 0.32 0.085 0.135061435973353 0.260131996854119 0.35 0.843 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J01 compound treatment -0.229 -0.0996 -0.14 -0.387 -0.316 -0.62 -0.435 -0.384938564026647 -0.741402137514405 -0.8695 -0.8884 3062642 Maybridge4_000551 COC(=O)C1CCC(=O)C(C1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J02 compound treatment -0.806 -0.677 -0.96 -0.562 -0.491 -0.97 -0.315 -0.264938564026647 -0.510278875737053 -1.4092 -0.967 1601179 Maybridge4_000552 Oc1ccc2ccccc2c1C3Nc4ccccc4-n5cccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J03 compound treatment -0.385 -0.256 -0.36 -1.213 -1.14 -2.25 -0.944 -0.893938564026647 -1.72174997288667 -2.5052 -0.8761 3062643 Maybridge4_000553 Cc1c(C)c(C)c(CN2CCCCC2)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J04 compound treatment -0.434 -0.305 -0.43 -0.19 -0.119 -0.23 0.138 0.188061435973353 0.36221143747245 -0.1761 -0.2881 3062644 Maybridge4_000554 CC(=O)Nc1s/c(=N\c2ccc(C)c(C)c2)/n(C(=O)C)c1c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J05 compound treatment -0.553 -0.424 -0.6 0.119 0.19 0.38 0.0 0.050061435973353 0.096419686428495 -0.0749 -0.1046 1342204 Maybridge4_000555 O=S(=O)(N1CCCCC1)c2ccc(NC(=S)Nc3ccc4OCOc4c3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J06 compound treatment 0.378 0.507 0.72 -0.77 -0.699 -1.38 -0.842 -0.791938564026647 -1.52529520037592 -1.2605 -0.5784 3062645 Maybridge4_000556 Clc1ccc(Cl)c(NC(=S)NC(=N)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J07 compound treatment -0.949 -0.82 -1.17 -1.325 -1.25 -2.48 -1.379 -1.32893856402665 -2.55957179682957 -3.5796 -0.9555 3178727 Maybridge4_000557 Oc1c(Cl)cc(Cl)cc1/C=N/c2ccc(CC3C(=O)Nc4ccccc34)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J08 compound treatment -1.038 -0.909 -1.29 -0.958 -0.887 -1.75 -1.341 -1.29093856402665 -2.48638276393341 -3.192 -0.9662 3178728 Maybridge4_000558 CN1CCC2(C(C1)N=NN2c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J09 compound treatment 0.156 0.285 0.41 0.62 0.691 1.37 0.882 0.932061435973353 1.79517566049203 2.059 0.8985 3062646 Maybridge4_000559 Cc1cc(C)c(C(=O)Nc2cccc(c2)C(F)(F)F)c3CC(C)(C)C(=O)c31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J10 compound treatment -0.245 -0.116 -0.16 -1.024 -0.953 -1.88 -0.515 -0.464938564026647 -0.89548431203264 -1.6978 -0.8125 1734956 Maybridge4_000560 Nc1nc2c(nnn2c3ccccc13)c4ccc(Br)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J11 compound treatment 0.087 0.216 0.31 -1.016 -0.945 -1.87 -0.57 -0.519938564026647 -1.00141580701393 -1.4773 -0.6906 3178729 Maybridge4_000561 Cc1c(C)c(C)c(C(O)c2ccccc2)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J12 compound treatment -1.031 -0.902 -1.28 -2.014 -1.94 -3.84 -1.298 -1.24793856402665 -2.40356359512986 -4.3423 -0.923 3178730 Maybridge4_000562 COc1ccc(cc1)c2c(C#N)nnn2c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J13 compound treatment -1.451 -1.32 -1.88 -0.517 -0.446 -0.88 -0.549 -0.498938564026647 -0.96096923620289 -2.1476 -0.9392 1646858 Maybridge4_000563 CCN1C(C(CCC1=O)C(=O)O)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J14 compound treatment -0.821 -0.692 -0.98 -0.387 -0.316 -0.62 -0.467 -0.416938564026647 -0.803035007321699 -1.3911 -0.9836 1299644 Maybridge4_000564 Fc1cccc(NCCc2ccccn2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J15 compound treatment -0.487 -0.358 -0.51 -0.535 -0.464 -0.92 -0.429 -0.378938564026647 -0.729845974425538 -1.2434 -0.9742 3062647 Maybridge4_000565 CCOC(=S)SCc1c(C)c(C)c(C)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J16 compound treatment 0.339 0.468 0.67 0.373 0.444 0.88 0.194 0.244061435973353 0.470068959635214 1.1625 0.9706 1536926 Maybridge4_000566 O=C(CC#N)NCc1cccs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J17 compound treatment 0.201 0.33 0.47 0.615 0.686 1.36 0.648 0.698061435973353 1.34448530002619 1.83 0.9308 3178731 Maybridge4_000567 Cc1onc(c1NC(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J18 compound treatment -0.286 -0.157 -0.22 -0.019 0.0524 0.1 0.25 0.300061435973353 0.577926481797978 0.2649 0.4219 1727398 Maybridge4_000568 CCc1cccc(C(C)C)c1NS(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J19 compound treatment -1.403 -1.27 -1.81 -0.404 -0.333 -0.66 -0.847 -0.796938564026647 -1.53492533628331 -2.3108 -0.9382 3062649 Maybridge4_000569 Nn1c(nc2ccccc2c1=O)C(=O)NCc3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J20 compound treatment -0.712 -0.583 -0.83 -0.734 -0.663 -1.31 -0.911 -0.860938564026647 -1.6581910758979 -2.1909 -0.9657 3178732 Maybridge4_000570 CC1CCCCN1CCCNC(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J21 compound treatment -0.983 -0.854 -1.21 -0.296 -0.225 -0.44 -0.263 -0.212938564026647 -0.410125462300201 -1.1935 -0.8804 3062650 Maybridge4_000571 Clc1ccc(SCc2ccc(C#N)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J22 compound treatment -0.902 -0.773 -1.1 -0.203 -0.132 -0.26 -0.383 -0.332938564026647 -0.641248724077553 -1.1544 -0.8892 3178733 Maybridge4_000572 CC1CN(CC(C)O1)c2ccc(NC(=O)c3ccco3)cc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J23 mock treatment -0.359 -0.23 -0.33 0.082 0.153 0.3 0.122 0.172061435973353 0.331395002568803 0.1778 0.3203 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 J24 mock treatment 0.091 0.22 0.31 -0.667 -0.596 -1.18 -0.811 -0.760938564026647 -1.46558835775011 -1.3442 -0.7056 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K01 compound treatment -1.377 -1.25 -1.77 -0.928 -0.857 -1.69 -0.2 -0.149938564026647 -0.288785749867091 -2.1673 -0.8782 1258100 Maybridge4_000573 OC(=O)C1CC1C(=O)Nc2ccc(Oc3ccc(Cl)cc3C4CCCCC4)nc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K02 compound treatment -1.02 -0.891 -1.27 -1.408 -1.34 -2.64 -1.177 -1.12693856402665 -2.17051430617103 -3.5079 -0.9626 3062651 Maybridge4_000574 CCOC(=O)CCSc1nnc(S)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K03 compound treatment -2.338 -2.21 -3.14 -1.393 -1.32 -2.61 -1.954 -1.90393856402665 -3.66703742617938 -5.4367 -0.9907 1465836 Maybridge4_000575 Fc1ccc(COc2ccc(cc2)C(=O)CSc3ccccn3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K04 compound treatment -0.736 -0.607 -0.86 -0.387 -0.316 -0.62 -0.127 -0.076938564026647 -0.148185765619202 -0.9432 -0.878 1182542 Maybridge4_000576 CC1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K05 compound treatment -1.153 -1.02 -1.46 -0.392 -0.321 -0.63 -0.308 -0.257938564026647 -0.496796685466708 -1.4925 -0.8975 3178734 Maybridge4_000577 OC1CCCCCCCCCCC1CCC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K06 compound treatment -0.11 0.0194 0.03 -0.449 -0.378 -0.75 0.074 0.124061435973353 0.238945697857862 -0.2765 -0.353 3062652 Maybridge4_000578 CC(C)CCNC(=O)Oc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K07 compound treatment -1.029 -0.9 -1.28 -1.311 -1.24 -2.45 -0.91 -0.859938564026647 -1.65626504871642 -3.1078 -0.9651 3178735 Maybridge4_000579 COc1ccc(OC)c2c(=O)cc(oc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K08 compound treatment -0.789 -0.66 -0.94 -1.227 -1.16 -2.28 -0.829 -0.778938564026647 -1.50025684701671 -2.7249 -0.9438 1674875 Maybridge4_000580 COc1ccccc1C2CCN(CC2)C(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K09 compound treatment 0.014 0.143 0.2 0.812 0.883 1.74 -0.271 -0.220938564026647 -0.425533679752025 0.8791 0.4865 3178736 Maybridge4_000581 CC1(C)C2CCC1(C)C(C2)NC(=O)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K10 compound treatment 0.097 0.226 0.32 -0.18 -0.109 -0.21 -0.162 -0.111938564026647 -0.21559671697093 -0.0624 -0.1409 1672849 Maybridge4_000582 Cc1onc(c1C(=O)N2CC(C2)Oc3ccc(Cl)cc3)c4c(F)cccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K11 compound treatment 0.234 0.363 0.52 -0.338 -0.267 -0.53 -0.027 0.023061435973353 0.0444169525285909 0.0201 0.0272 3062653 Maybridge4_000583 Cc1cc(n[nH]c1=O)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K12 compound treatment -0.136 -0.00659 -0.01 -0.857 -0.786 -1.55 -0.464 -0.413938564026647 -0.797256925777265 -1.3612 -0.7805 3062654 Maybridge4_000584 Sc1nc(c2ccccc2)n(n1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K13 compound treatment -0.369 -0.24 -0.34 -0.234 -0.163 -0.32 -0.314 -0.263938564026647 -0.508352848555576 -0.6755 -0.9775 1267527 Maybridge4_000585 CC(C)CCNC(=O)c1cccc2C(=O)c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K14 compound treatment -0.687 -0.558 -0.79 -0.485 -0.414 -0.82 -0.023 0.027061435973353 0.0521210612545026 -0.8991 -0.7891 3062655 Maybridge4_000586 O=C1C(CCCC1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K15 compound treatment -0.21 -0.0806 -0.11 0.238 0.309 0.61 -0.091 -0.040938564026647 -0.0788487870859968 0.2411 0.3847 3178737 Maybridge4_000587 Cc1c(cnc2ccccc12)c3nnnn3c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K16 compound treatment 0.103 0.232 0.33 -0.047 0.0244 0.05 0.062 0.112061435973353 0.215833371680127 0.3432 0.8633 1175626 Maybridge4_000588 Cc1ccc(cc1)C(=O)OC2CN3CCC2CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K17 compound treatment -0.987 -0.858 -1.22 -0.358 -0.287 -0.57 -0.82 -0.769938564026647 -1.48292260238341 -1.8868 -0.9427 3178738 Maybridge4_000589 CN1[S+](c2ccccc2C1=O)c3cccc4cccc(C(=O)O)c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K18 compound treatment -0.54 -0.411 -0.58 -0.613 -0.542 -1.07 -1.043 -0.992938564026647 -1.91242666385299 -2.0586 -0.9078 3178739 Maybridge4_000590 CC1(C)C2CCC1(C)c3nn(c(c23)C(F)(F)F)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K19 compound treatment -0.742 -0.613 -0.87 -0.481 -0.41 -0.81 -0.046 0.004061435973353 0.00782243608051015 -0.9652 -0.8121 1361703 Maybridge4_000591 CCOC(Cn1c2ccccc2c3ccccc13)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K20 compound treatment -1.333 -1.2 -1.71 -1.187 -1.12 -2.2 -0.535 -0.484938564026647 -0.934004855662198 -2.799 -0.9515 1031191 Maybridge4_000592 OC(=O)C1C(C2CCC1C2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K21 compound treatment -0.192 -0.0626 -0.09 -0.068 0.00344 0.01 -0.237 -0.186938564026647 -0.360048755581775 -0.2553 -0.6883 1224135 Maybridge4_000593 Cn1c(nc2ccccc12)C(C#N)C(=O)c3ccccc3I 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K22 compound treatment -0.444 -0.315 -0.45 -0.194 -0.123 -0.24 -0.012 0.038061435973353 0.0733073602507598 -0.3556 -0.6922 1062658 Maybridge4_000594 CCOC(=O)C1C(C2c3ccccc3C1c4ccccc24)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K23 mock treatment 0.058 0.187 0.27 0.101 0.172 0.34 0.365 0.415061435973353 0.79941960766794 0.812 0.8934 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 K24 mock treatment 0.552 0.681 0.97 0.192 0.263 0.52 0.071 0.121061435973353 0.233167616313428 0.9943 0.8845 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L01 compound treatment 0.238 0.367 0.52 0.16 0.231 0.46 -0.392 -0.341938564026647 -0.658582968710854 0.1852 0.1936 3062656 Maybridge4_000595 CCCCN(C(C)C)S(=O)(=O)c1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L02 compound treatment -0.318 -0.189 -0.27 -3.207 -3.14 -6.19 -2.27 -2.21993856402665 -4.27566201552641 -6.1979 -0.8232 3178740 Maybridge4_000596 FC(F)(F)c1cccc(c1)/C(=C/C=C/c2ccccc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L03 compound treatment 0.907 1.04 1.47 0.593 0.664 1.31 1.579 1.62906143597335 2.46047918489691 3.0288 0.9604 3062657 Maybridge4_000597 O=C1NC(=O)C(=CC2CCC=CC2)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L04 compound treatment -0.698 -0.569 -0.81 0.081 0.152 0.3 -0.246 -0.195938564026647 -0.377383000215076 -0.5108 -0.5425 1174872 Maybridge4_000598 Fc1cccc(F)c1C(=O)Nc2cccc(NC(=O)c3c(F)cccc3F)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L05 compound treatment -1.245 -1.12 -1.59 -0.854 -0.783 -1.55 -1.528 -1.47793856402665 -2.84654984686979 -3.4513 -0.957 3178741 Maybridge4_000599 COc1ccc(CC/N=C/c2ccc3OCOc3c2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L06 compound treatment -0.321 -0.192 -0.27 -0.198 -0.127 -0.25 -0.739 -0.688938564026647 -1.3269144006837 -1.0676 -0.7751 3062658 Maybridge4_000600 FC(F)(F)c1cc(C#CCN2CCCCC2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L07 compound treatment 1.037 1.17 1.63 -0.111 -0.0396 -0.08 0.56 0.610061435973353 1.17499490805614 1.5741 0.7829 3178820 Maybridge4_000601 CC(C)NC(=S)N1CCCN2C1c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L08 compound treatment -0.661 -0.532 -0.76 -0.356 -0.285 -0.56 -0.926 -0.875938564026647 -1.68708148362007 -1.7348 -0.8979 3062659 Maybridge4_000602 FC(F)(F)c1cccc(c1C(=O)OCC(=O)c2ccc(Cl)cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L09 compound treatment 0.059 0.188 0.27 -0.007 0.0644 0.13 -0.317 -0.266938564026647 -0.514130930100009 -0.0687 -0.1158 1236762 Maybridge4_000603 S=C(Nc1ccccc1)Nc2ccccc2n3cccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L10 compound treatment -0.792 -0.663 -0.94 -0.394 -0.323 -0.64 0.054 0.104061435973353 0.200425154228303 -0.7959 -0.6893 3062660 Maybridge4_000604 COc1ccc(OC)c(c1)S(=O)(=O)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L11 compound treatment 0.319 0.448 0.64 -2.218 -2.15 -4.24 -0.482 -0.431938564026647 -0.831925415043868 -2.5593 -0.5862 1138158 Maybridge4_000605 COc1ccc(OCCC(=O)NN)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L12 compound treatment -0.017 0.112 0.16 -0.493 -0.422 -0.83 -0.714 -0.663938564026647 -1.27876372114675 -1.1266 -0.7343 3062661 Maybridge4_000606 CN(C)C(=O)c1c(C)onc1c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L13 compound treatment -2.095 -1.97 -2.79 -1.285 -1.21 -2.4 -2.155 -2.10493856402665 -4.05416888965645 -5.3376 -0.9747 3178821 Maybridge4_000607 OC(Cc1ccccc1)(c2ccccc2)c3ccccc3/N=C/c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L14 compound treatment -0.98 -0.851 -1.21 -0.289 -0.218 -0.43 0.159 0.209061435973353 0.402658008283486 -0.7138 -0.5307 3178822 Maybridge4_000608 Fc1cccc(N(Cc2cccnc2)C(=S)Nc3ccc(Cl)c(Cl)c3)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L15 compound treatment 0.521 0.65 0.92 0.463 0.534 1.06 0.188 0.238061435973353 0.458512796546346 1.4079 0.9538 3062708 Maybridge4_000609 Cc1c(C)c(C)c(CSc2ccccn2)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L16 compound treatment -0.638 -0.509 -0.72 -0.5 -0.429 -0.85 -0.258 -0.207938564026647 -0.400495326392811 -1.1373 -0.9614 3062709 Maybridge4_000610 CC(C)NC(=O)NCc1c(F)cccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L17 compound treatment -1.574 -1.44 -2.05 -1.442 -1.37 -2.71 -2.018 -1.96793856402665 -3.79030316579397 -4.9366 -0.9699 3062710 Maybridge4_000611 Cc1c(C)c(C)c(C(=O)/C=N/N)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L18 compound treatment -0.114 0.0154 0.02 -0.203 -0.132 -0.26 -0.074 -0.023938564026647 -0.0461063250008719 -0.164 -0.6193 3062711 Maybridge4_000612 CCc1cccc(C(C)C)c1NC(=O)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L19 compound treatment -0.676 -0.547 -0.78 -0.682 -0.611 -1.21 -0.708 -0.657938564026647 -1.26720755805788 -1.8763 -0.9804 3062712 Maybridge4_000613 COc1ccc(NC(=S)NCCCC2C=NN=C2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L20 compound treatment 0.0 0.129 0.18 0.236 0.307 0.61 0.364 0.414061435973353 0.797493580486462 0.9171 0.9 3062713 Maybridge4_000614 CC(C)(C)C1=C(C#N)C(C(=C(NC(=O)NC(=O)c2c(F)cccc2Cl)O1)C#N)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L21 compound treatment 0.62 0.749 1.07 -0.526 -0.455 -0.9 -0.444 -0.393938564026647 -0.758736382147707 -0.3411 -0.215 1309274 Maybridge4_000615 Cc1cc(C)c(C(=O)Nc2ccc(C)c(C)c2)c(CC(C)(C)C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L22 compound treatment -1.47 -1.34 -1.91 -1.31 -1.24 -2.45 -0.222 -0.171938564026647 -0.331158347859606 -2.7036 -0.867 3178823 Maybridge4_000616 OCC(CO)(CO)NC(=S)Nc1cc(Cl)cc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L23 mock treatment -0.321 -0.192 -0.27 -0.72 -0.649 -1.28 -0.094 -0.043938564026647 -0.0846268686304306 -0.9455 -0.7207 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 L24 mock treatment 0.576 0.705 1.0 -0.216 -0.145 -0.29 -0.266 -0.215938564026647 -0.415903543844635 0.1741 0.1551 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M01 compound treatment -1.303 -1.17 -1.67 -0.205 -0.134 -0.26 -0.073 -0.022938564026647 -0.044180297819394 -1.1411 -0.6753 1443995 Maybridge4_000617 CCCc1ccc(Oc2ccc(NC(=O)C3CC3C(=O)O)cn2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M02 compound treatment -1.554 -1.42 -2.03 -0.602 -0.531 -1.05 -0.712 -0.661938564026647 -1.27491166678379 -2.5103 -0.9609 2105374 Maybridge4_000618 Oc1ccc(cc1)C(C#N)N2CCN(CC2)C(C#N)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M03 compound treatment -1.023 -0.894 -1.27 -0.591 -0.52 -1.03 -0.487 -0.436938564026647 -0.841555550951258 -1.8117 -0.9862 1235908 Maybridge4_000619 Cc1nc(cs1)c2cc(C#N)c(SCCC(=O)OC(C)(C)C)nc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M04 compound treatment -0.418 -0.289 -0.41 -0.365 -0.294 -0.58 0.101 0.151061435973353 0.290948431757766 -0.4036 -0.5259 1332220 Maybridge4_000620 COc1ccc(cc1)C(=O)NC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M05 compound treatment 2.143 2.27 2.1 1.203 1.27 2.29 1.022 1.07206143597335 2.04325214540611 3.7158 0.9987 3178824 Maybridge4_000621 CN1C2CCC1CC(C2)NC(=O)Cc3ccccc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M06 compound treatment -0.354 -0.225 -0.32 -0.06 0.0114 0.02 -0.15 -0.099938564026647 -0.192484390793195 -0.2825 -0.7562 3062715 Maybridge4_000622 CCNC(=O)Oc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M07 compound treatment 1.268 1.4 1.76 0.692 0.763 1.51 0.156 0.206061435973353 0.396879926739052 2.1164 0.8998 3062716 Maybridge4_000623 CN(C)/C=C/C(=O)c1c(O)cc(C)oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M08 compound treatment 0.108 0.237 0.34 -0.143 -0.0716 -0.14 -0.234 -0.183938564026647 -0.354270674037341 -0.0912 -0.1791 1250275 Maybridge4_000624 COc1ccccc1C2CCN(CC2)C(=O)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M09 compound treatment -0.291 -0.162 -0.23 0.109 0.18 0.36 -0.062 -0.011938564026647 -0.0229939988231368 0.0598 0.1408 1731106 Maybridge4_000625 COc1ccc(Br)cc1COC(=O)C2c3ccccc3Oc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M10 compound treatment -1.97 -1.84 -2.62 -2.283 -2.21 -4.37 -2.484 -2.43393856402665 -4.68783183236269 -6.7385 -0.9737 1917572 Maybridge4_000626 CCOc1ccc2[nH]c(SCc3c(F)c(F)c(F)c(F)c3F)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M11 compound treatment 0.057 0.186 0.27 -0.185 -0.114 -0.22 -0.5 -0.449938564026647 -0.866593904310471 -0.4768 -0.5107 1003070 Maybridge4_000627 Cc1ccc(cc1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M12 compound treatment 0.526 0.655 0.93 -0.424 -0.353 -0.7 -0.5 -0.449938564026647 -0.866593904310471 -0.3642 -0.2511 3062717 Maybridge4_000628 CSc1nc2c(=S)[nH]c(=S)[nH]c2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M13 compound treatment -0.791 -0.662 -0.94 -0.469 -0.398 -0.78 -0.342 -0.291938564026647 -0.562281609636958 -1.3209 -0.9799 3062718 Maybridge4_000629 O/N=C(/C(=N/O)/c1ccccc1)\c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M14 compound treatment -0.451 -0.322 -0.46 -0.145 -0.0736 -0.15 -0.306 -0.255938564026647 -0.492944631103752 -0.6324 -0.9194 1781230 Maybridge4_000630 CCOC(=O)CNc1n[nH]c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M15 compound treatment -0.892 -0.763 -1.08 -0.238 -0.167 -0.33 -0.228 -0.177938564026647 -0.342714510948473 -1.0137 -0.8564 3062719 Maybridge4_000631 Cc1cc(C)nc(S/C=C/C(=O)c2ccc(Cl)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M16 compound treatment -0.437 -0.308 -0.44 -0.224 -0.153 -0.3 -0.217 -0.166938564026647 -0.321528211952216 -0.612 -0.9859 1718236 Maybridge4_000632 Cn1c(=O)cc(N2CCOCC2)c3c(=O)n(c4ccccc4)c(=O)n(c5ccccc5)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M17 compound treatment -0.234 -0.105 -0.15 -0.754 -0.683 -1.35 -0.357 -0.306938564026647 -0.591172017359127 -1.2053 -0.8148 3178825 Maybridge4_000633 CC(=O)NC1=NN(C(N1C(=O)C)c2cccc3ccccc23)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M18 compound treatment -0.603 -0.474 -0.67 -0.125 -0.0536 -0.11 -0.147 -0.096938564026647 -0.186706309248761 -0.5576 -0.789 1286292 Maybridge4_000634 O=C(NC(C(=O)c1ccccc1)n2cnccc2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M19 compound treatment -1.215 -1.09 -1.54 -0.66 -0.589 -1.16 -0.978 -0.927938564026647 -1.78723489705692 -2.5939 -0.9856 1171458 Maybridge4_000635 OC(COCc1ccccc1)Cn2c3ccccc3c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M20 compound treatment -0.221 -0.0916 -0.13 -0.321 -0.25 -0.49 -0.619 -0.568938564026647 -1.09579113890634 -0.9923 -0.8211 3062720 Maybridge4_000636 C/S(=N\S(=O)(=O)c1ccc(C)cc1)/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M21 compound treatment -0.294 -0.165 -0.23 0.105 0.176 0.35 -0.013 0.037061435973353 0.0713813330692819 0.1072 0.2519 1311339 Maybridge4_000637 O=C(C(C#N)c1nc2ccccc2[nH]1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M22 compound treatment -0.542 -0.413 -0.59 -0.371 -0.3 -0.59 -0.375 -0.324938564026647 -0.625840506625729 -1.0415 -0.9996 1645478 Maybridge4_000638 COC(=O)C1C([C@H]2c3ccccc3[C@@H]1c4ccccc24)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M23 mock treatment -0.607 -0.478 -0.68 -0.179 -0.108 -0.21 0.026 0.076061435973353 0.146496393146921 -0.4301 -0.5921 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 M24 mock treatment -0.787 -0.658 -0.93 0.17 0.241 0.48 0.101 0.151061435973353 0.290948431757766 -0.0966 -0.0887 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N01 compound treatment -1.325 -1.2 -1.7 -0.895 -0.824 -1.63 -1.03 -0.979938564026647 -1.88738831049377 -3.01 -0.998 1273203 Maybridge4_000639 CN(C)CC1(CC(=O)O)CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N02 compound treatment -2.621 -2.49 -3.54 -1.746 -1.67 -3.31 -1.606 -1.55593856402665 -2.99677996702506 -5.6844 -0.9977 3178826 Maybridge4_000640 NN/C(=N/S(=O)(=O)c1ccccc1)/N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N03 compound treatment -1.014 -0.885 -1.26 -0.746 -0.675 -1.33 -0.676 -0.625938564026647 -1.20557468825059 -2.1912 -0.9992 3062722 Maybridge4_000641 O=C1NC(=O)C(=C/C=C/c2ccccc2)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N04 compound treatment -0.583 -0.454 -0.64 -0.474 -0.403 -0.79 -0.239 -0.188938564026647 -0.363900809944731 -1.0414 -0.9586 1678177 Maybridge4_000642 COc1cccc(OC)c1C(=O)Nc2ccccc2NC(=O)c3c(OC)cccc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N05 compound treatment -2.092 -1.96 -2.79 -1.062 -0.991 -1.96 -1.061 -1.01093856402665 -1.94709515311959 -3.8644 -0.9847 1073885 Maybridge4_000643 CCOc1ccc(CCC(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N06 compound treatment 0.333 0.462 0.66 0.073 0.144 0.29 -0.027 0.023061435973353 0.0444169525285909 0.5699 0.7937 3178827 Maybridge4_000644 CS/C(=N\S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N07 compound treatment -1.35 -1.22 -1.74 -1.08 -1.01 -1.99 -1.56 -1.50993856402665 -2.90818271667708 -3.8307 -0.9751 3062723 Maybridge4_000645 Oc1noc(O)c1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N08 compound treatment 1.053 1.18 1.64 1.13 1.2 2.23 1.216 1.26606143597335 2.21023466804719 3.512 0.991 3062724 Maybridge4_000646 NC(=S)NC1CC2CC1C=C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N09 compound treatment -1.587 -1.46 -2.07 -0.704 -0.633 -1.25 -0.99 -0.939938564026647 -1.81034722323466 -2.9628 -0.9804 3178828 Maybridge4_000647 CCNc1cc(N)[n+](CC)c2[nH]nc(N)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N10 compound treatment -0.713 -0.584 -0.83 -0.952 -0.881 -1.74 -1.145 -1.09493856402665 -2.10888143636374 -2.7004 -0.9454 1512370 Maybridge4_000648 COc1ccc(cc1CN2CCOCC2)c3cc(c4ccccc4)c(nn3)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N11 compound treatment -0.221 -0.0916 -0.13 1.552 1.62 2.54 0.8 0.850061435973353 1.63724143161084 2.336 0.7725 1288584 Maybridge4_000649 S=C(NC1CC2CC1C=C2)N(CCC#N)Cc3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N12 compound treatment -0.474 -0.345 -0.49 -0.062 0.00944 0.02 -0.123 -0.072938564026647 -0.140481656893291 -0.3532 -0.6925 3178829 Maybridge4_000650 CC(=O)NCc1c(F)cccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N13 compound treatment -1.539 -1.41 -2.0 -0.259 -0.188 -0.37 -0.239 -0.188938564026647 -0.363900809944731 -1.581 -0.7637 1566685 Maybridge4_000651 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(SC)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N14 compound treatment -0.369 -0.24 -0.34 -0.115 -0.0436 -0.09 -0.431 -0.380938564026647 -0.733698028788494 -0.6699 -0.8235 3062725 Maybridge4_000652 Fc1cccc(Cl)c1CSc2ccccc2C3=NCCCN3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N15 compound treatment -1.09 -0.961 -1.37 -0.35 -0.279 -0.55 -0.739 -0.688938564026647 -1.3269144006837 -1.8722 -0.9446 3178830 Maybridge4_000653 Cc1c(C)c(C)c(CSC2=NCCS2)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N16 compound treatment -0.233 -0.104 -0.15 -0.305 -0.234 -0.46 -0.068 -0.017938564026647 -0.0345501619120044 -0.3712 -0.7649 3062726 Maybridge4_000654 Clc1cc(C[n+]2ccccc2)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N17 compound treatment -0.508 -0.379 -0.54 -0.302 -0.231 -0.46 -0.353 -0.302938564026647 -0.583467908633215 -0.9105 -0.9949 3062727 Maybridge4_000655 Cn1c(S)nnc1CC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N18 compound treatment 0.455 0.584 0.83 0.2 0.271 0.54 0.321 0.371061435973353 0.714674411682911 1.2018 0.9851 3178831 Maybridge4_000656 CC1CC(C)CN(C1)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N19 compound treatment -1.532 -1.4 -1.99 -0.673 -0.602 -1.19 -1.158 -1.10793856402665 -2.13391978972295 -3.0691 -0.9734 3178832 Maybridge4_000657 N#Cc1cccc(CSc2nnc(SCc3cccc(C#N)c3)s2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N20 compound treatment -1.184 -1.05 -1.5 -0.934 -0.863 -1.7 -0.516 -0.465938564026647 -0.897410339214118 -2.3671 -0.9701 3062728 Maybridge4_000658 CC1(C)ON(C(=N1)NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N21 compound treatment -1.141 -1.01 -1.44 -0.411 -0.34 -0.67 -0.733 -0.682938564026647 -1.31535823759483 -1.9769 -0.9591 3178833 Maybridge4_000659 CC1N=C(SCC#N)N2C(C)N=C(SCC#N)N12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N22 compound treatment -2.333 -2.2 -3.13 -1.682 -1.61 -3.18 -2.518 -2.46793856402665 -4.75331675653294 -6.3892 -0.9798 1490971 Maybridge4_000660 Nc1ccccc1C(=O)NCc2c(F)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N23 mock treatment 0.316 0.445 0.63 -0.148 -0.0766 -0.15 0.015 0.065061435973353 0.125310094150664 0.3507 0.5289 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 N24 mock treatment 0.061 0.19 0.27 0.19 0.261 0.52 0.12 0.170061435973353 0.327542948205847 0.6434 0.9623 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O01 compound treatment -1.292 -1.16 -1.65 -0.507 -0.436 -0.86 -0.141 -0.090938564026647 -0.175150146159893 -1.552 -0.8293 3178834 Maybridge4_000661 COc1ccccc1C2OC(=O)C[C@H]2C(=O)Oc3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O02 compound treatment -2.989 -2.86 -4.07 -3.573 -3.5 -6.91 -4.286 -4.23593856402665 -8.15853281338592 -11.0494 -0.9658 3178835 Maybridge4_000662 FC(F)(F)c1cc(NC(=S)NCCN2CCNC2=O)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O03 compound treatment 0.27 0.399 0.57 0.563 0.634 1.25 0.507 0.557061435973353 1.07291546743781 1.6706 0.9577 1251917 Maybridge4_000663 Cc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)c4CCCc41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O04 compound treatment -0.725 -0.596 -0.85 -0.891 -0.82 -1.62 -0.541 -0.490938564026647 -0.945561018751066 -1.9691 -0.9574 3178836 Maybridge4_000664 Cc1ccccc1NC2=NCC(C)(C)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O05 compound treatment -0.681 -0.552 -0.78 -0.123 -0.0516 -0.1 -0.369 -0.318938564026647 -0.614284343536862 -0.8662 -0.865 1342095 Maybridge4_000665 NC(=O)C1c2ccccc2Oc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O06 compound treatment -0.774 -0.645 -0.92 -0.554 -0.483 -0.95 -0.969 -0.918938564026647 -1.76990065242362 -2.1011 -0.9511 3178916 Maybridge4_000666 CC(C)(C)NC(=O)Oc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O07 compound treatment -3.613 -3.48 -4.95 -0.578 -0.507 -1.0 -1.379 -1.32893856402665 -2.55957179682957 -4.9148 -0.8677 1101019 Maybridge4_000667 CC(C)(C)c1cc(c2oc(cc(=O)c2c1)C(=O)O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O08 compound treatment -2.049 -1.92 -2.73 -2.197 -2.13 -4.2 -3.276 -3.22593856402665 -6.21324536009321 -7.5861 -0.9507 1485865 Maybridge4_000668 Clc1ccc(OC2CN(C2)C(=O)NCC=C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O09 compound treatment -1.254 -1.12 -1.6 -1.088 -1.02 -2.01 -1.397 -1.34693856402665 -2.59424028609618 -3.5798 -0.981 3178917 Maybridge4_000669 O=C(Oc1ccc2ccccc2c1)C3c4ccccc4Oc5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O10 compound treatment -1.046 -0.917 -1.3 -0.608 -0.537 -1.06 -0.272 -0.221938564026647 -0.427459706933502 -1.6109 -0.9295 1074403 Maybridge4_000670 C1CCC(CC1)Nc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O11 compound treatment -1.872 -1.74 -2.48 -2.5 -2.43 -4.8 -1.535 -1.48493856402665 -2.86003203714013 -5.8502 -0.9577 1171317 Maybridge4_000671 COc1cc(OC)cc(c1)C(C)(C)OC(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O12 compound treatment 0.336 0.465 0.66 -0.47 -0.399 -0.79 -0.464 -0.413938564026647 -0.797256925777265 -0.5326 -0.4094 1302360 Maybridge4_000672 OC(=O)Cc1cncc(Br)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O13 compound treatment -1.138 -1.01 -1.43 -0.864 -0.793 -1.56 -0.838 -0.787938564026647 -1.51759109165001 -2.6076 -0.9994 3063089 Maybridge4_000673 C/C(=N\O)/c1c(O)c2ccccc2n(C)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O14 compound treatment -0.5 -0.371 -0.53 0.224 0.295 0.58 -0.037 0.013061435973353 0.0251566807138115 0.0471 0.0599 1915396 Maybridge4_000674 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(=O)[nH]cnc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O15 compound treatment -0.657 -0.528 -0.75 -0.238 -0.167 -0.33 -0.106 -0.055938564026647 -0.107739194808166 -0.6852 -0.8294 1665055 Maybridge4_000675 CC(=O)OCc1ccccc1Sc2ccccc2C(=O)NCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O16 compound treatment -0.737 -0.608 -0.86 -0.567 -0.496 -0.98 -0.088 -0.037938564026647 -0.073070705541563 -1.1059 -0.8459 3063091 Maybridge4_000676 CN1C(=O)/C(=C\NCc2ccccc2)/C(=O)c3c1n(C)c(=O)n(C)c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O17 compound treatment -0.096 0.0334 0.05 0.033 0.104 0.21 0.371 0.421061435973353 0.810975770756808 0.6147 0.7334 3178918 Maybridge4_000677 COC(=O)c1cc(=O)nc2O[C@@H]3C(O)[C@@H](CO)OC3n21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O18 compound treatment -0.444 -0.315 -0.45 -0.071 4.38E-4 0.0 -0.5 -0.449938564026647 -0.866593904310471 -0.7581 -0.7773 1458724 Maybridge4_000678 OC(=O)CCC1(CC2CC3CC(O)(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O19 compound treatment -0.662 -0.533 -0.76 0.163 0.234 0.46 -0.418 -0.367938564026647 -0.70865967542928 -0.5791 -0.5099 3178919 Maybridge4_000679 CCn1c2ccc(Cl)cc2c3cc(Cl)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O20 compound treatment -0.663 -0.534 -0.76 -0.356 -0.285 -0.56 -0.217 -0.166938564026647 -0.321528211952216 -0.948 -0.9506 1547077 Maybridge4_000680 Cc1ccc(cc1)S(=O)(=O)N=S(Cc2ccccc2)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O21 compound treatment -0.561 -0.432 -0.61 -0.542 -0.471 -0.93 -0.972 -0.921938564026647 -1.77567873396805 -1.9159 -0.9141 3063093 Maybridge4_000681 CC(C)(C)c1ccc(=O)[nH]n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O22 compound treatment -1.776 -1.65 -2.34 -1.671 -1.6 -3.16 -0.744 -0.693938564026647 -1.33654453659109 -3.9468 -0.9505 3178920 Maybridge4_000682 Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c3ccccc3)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O23 mock treatment -0.164 -0.0346 -0.05 0.124 0.195 0.39 0.252 0.302061435973353 0.581778536160934 0.5303 0.7577 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 O24 mock treatment -0.514 -0.385 -0.55 -0.351 -0.28 -0.55 -0.309 -0.258938564026647 -0.498722712648186 -0.9223 -0.999 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P01 compound treatment -0.183 -0.0536 -0.08 0.197 0.268 0.53 0.104 0.154061435973353 0.2967265133022 0.4333 0.7078 3063094 Maybridge4_000683 COC(=O)/C=C/c1cn(C2OCC(CO)C2O)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P02 compound treatment -2.333 -2.2 -3.13 -2.511 -2.44 -4.82 -2.573 -2.52293856402665 -4.85924825151422 -7.3954 -0.9827 3178921 Maybridge4_000684 NNC(=O)CS(=O)Cc1cccc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P03 compound treatment -0.095 0.0344 0.05 -0.644 -0.573 -1.13 -0.474 -0.423938564026647 -0.816517197592045 -1.0959 -0.7853 3063095 Maybridge4_000685 O=C1NC(=O)C(=Cc2cccc3ccccc23)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P04 compound treatment -0.885 -0.756 -1.07 -0.968 -0.897 -1.77 -0.483 -0.432938564026647 -0.833851442225346 -2.1237 -0.9514 3178922 Maybridge4_000686 O/N=C/c1ccc(o1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P05 compound treatment -0.867 -0.738 -1.05 -0.735 -0.664 -1.31 -0.791 -0.740938564026647 -1.42706781412055 -2.1858 -0.9922 1352669 Maybridge4_000687 COc1cccc(NC(=S)NC(Cc2ccccc2)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P06 compound treatment -0.063 0.0664 0.09 -1.391 -1.32 -2.61 -1.0 -0.949938564026647 -1.82960749504944 -2.5061 -0.7868 1145524 Maybridge4_000688 Clc1ccc(Cl)c(NC(=S)Nc2ccc(nc2)N3CCOCC3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P07 compound treatment -0.514 -0.385 -0.55 -0.366 -0.295 -0.58 -0.431 -0.380938564026647 -0.733698028788494 -1.0751 -0.9916 1152510 Maybridge4_000689 COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P08 compound treatment 0.202 0.331 0.47 0.598 0.669 1.32 0.587 0.637061435973353 1.22699764195604 1.7436 0.9354 3063149 Maybridge4_000690 Clc1ccccc1NC(=O)CC2SC(=NC2=O)NC3CC4CC3C=C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P09 compound treatment 0.299 0.428 0.61 0.378 0.449 0.89 0.826 0.876061435973353 1.68731813832927 1.8382 0.9185 3178923 Maybridge4_000691 CCNc1cc(N)[n+](CC)c2[nH]nc(/N=C/c3cc(Cl)cc(Cl)c3O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P10 compound treatment 0.5 0.629 0.89 0.436 0.507 1.0 0.214 0.264061435973353 0.508589503264772 1.3888 0.9668 3063150 Maybridge4_000692 N/C(=N\O)/CN1CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P11 compound treatment 0.611 0.74 1.05 2.513 2.58 2.98 0.646 0.696061435973353 1.34063324566324 3.1037 0.9035 1138088 Maybridge4_000693 S=C(NC1CC2CC1C=C2)N(CCC#N)CC3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P12 compound treatment 0.193 0.322 0.46 -0.514 -0.443 -0.87 -0.619 -0.568938564026647 -1.09579113890634 -0.8725 -0.5917 3063152 Maybridge4_000694 Fc1cccc(Cl)c1CSC2=NCCN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P13 compound treatment -0.736 -0.607 -0.86 -0.073 -0.00156 0.0 -0.1 -0.049938564026647 -0.0961830317192982 -0.5552 -0.6398 1637772 Maybridge4_000695 Cc1onc(c1C(=O)N2CCCN3C2c4ccccc4C3=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P14 compound treatment -1.727 -1.6 -2.27 -2.337 -2.27 -4.47 -2.257 -2.20693856402665 -4.2506236621672 -6.3482 -0.9654 3063153 Maybridge4_000696 Nn1c(nc2ccccc2c1=O)C(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P15 compound treatment -1.04 -0.911 -1.29 -1.155 -1.08 -2.14 -0.893 -0.842938564026647 -1.6235225866313 -2.9201 -0.9794 1322891 Maybridge4_000697 CCOC(=O)CCc1ccc(OCc2c(C)c(C)c(C)c(C)c2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P16 compound treatment -0.551 -0.422 -0.6 -0.917 -0.846 -1.67 -0.814 -0.763938564026647 -1.47136643929454 -2.1595 -0.937 3063154 Maybridge4_000698 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCCN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P17 compound treatment -0.664 -0.535 -0.76 0.152 0.223 0.44 -0.233 -0.182938564026647 -0.352344646855863 -0.3875 -0.4093 1180785 Maybridge4_000699 Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)C3CCC3)c2)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P18 compound treatment -0.285 -0.156 -0.22 -0.581 -0.51 -1.01 -0.129 -0.078938564026647 -0.152037819982158 -0.7964 -0.7648 3063155 Maybridge4_000700 Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NC(=N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P19 compound treatment -0.769 -0.64 -0.91 -0.315 -0.244 -0.48 -1.569 -1.51893856402665 -2.92551696131038 -2.4917 -0.8035 3178924 Maybridge4_000701 N/C(=N\O)/Cc1nc(cs1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P20 compound treatment -0.78 -0.651 -0.92 0.255 0.326 0.64 -0.324 -0.273938564026647 -0.527613120370355 -0.4665 -0.3748 3063157 Maybridge4_000702 Cc1nnsc1C(=O)NC(=O)Nc2cc(Cl)cc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P21 compound treatment 0.591 0.72 1.02 0.106 0.177 0.35 0.473 0.523061435973353 1.00743054326756 1.3753 0.93 3178925 Maybridge4_000703 CC1(C)NN(C(=N1)S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P22 compound treatment -1.071 -0.942 -1.34 -1.109 -1.04 -2.05 -1.035 -0.984938564026647 -1.89701844640116 -3.051 -0.9853 3063158 Maybridge4_000704 CSc1nc(nc(SC)c1Cl)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P23 mock treatment -0.015 0.114 0.16 0.563 0.634 1.25 -0.033 0.017061435973353 0.0328607894397233 0.8361 0.6617 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2050 P24 mock treatment -0.075 0.0544 0.08 0.042 0.113 0.22 -0.015 0.035061435973353 0.067529278706326 0.213 0.8643 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A01 compound treatment -0.373 -0.244 -0.35 0.286 0.357 0.71 0.014 0.064061435973353 0.123384066969186 0.2788 0.3503 3063827 Maybridge4_001761 Cc1noc(C)c1S(=O)(=O)NCC2COc3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A02 compound treatment -1.333 -1.2 -1.71 -0.429 -0.358 -0.71 -0.257 -0.206938564026647 -0.398569299211333 -1.6257 -0.8585 3179242 Maybridge4_001762 COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A03 compound treatment -1.506 -1.38 -1.96 -0.714 -0.643 -1.27 -0.6 -0.549938564026647 -1.05919662245826 -2.474 -0.9658 3063828 Maybridge4_001763 COc1ccc(cc1)c2nnsc2N3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A04 compound treatment -0.481 -0.352 -0.5 -0.172 -0.101 -0.2 -0.289 -0.238938564026647 -0.460202169018627 -0.6689 -0.945 3179243 Maybridge4_001764 CCn1c(Cn2nnc3ccccc23)nnc1SCC(=O)c4ccc(Br)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A05 compound treatment -0.329 -0.2 -0.28 -0.349 -0.278 -0.55 -1.989 -1.93893856402665 -3.73444837753111 -2.6363 -0.6965 3179244 Maybridge4_001765 C1Cc2cc(ccc2O1)C3Nc4ccccc4-c5cccn35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A06 compound treatment -0.212 -0.0826 -0.12 0.646 0.717 1.42 0.577 0.627061435973353 1.20773737014126 1.4474 0.776 3063829 Maybridge4_001766 S=C(Nc1ccccc1)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A07 compound treatment -0.406 -0.277 -0.39 0.1 0.171 0.34 0.231 0.281061435973353 0.541331965349897 0.2809 0.3747 3179245 Maybridge4_001767 O=S(=O)(NCc1ccco1)c2ccc(Oc3c(C#N)cccc3C#N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A08 compound treatment -0.122 0.00741 0.01 -0.333 -0.262 -0.52 -0.456 -0.405938564026647 -0.781848708325442 -0.7435 -0.7934 3063830 Maybridge4_001768 Nc1nc(Sc2nnc(c3ccncc3)n2c4ccccc4)ncc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A09 compound treatment 0.224 0.353 0.5 0.0 0.0714 0.14 -0.013 0.037061435973353 0.0713813330692819 0.4128 0.7836 3179246 Maybridge4_001769 Clc1ccc(COC(=O)c2ccc3ccccc3n2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A10 compound treatment -0.55 -0.421 -0.6 -0.377 -0.306 -0.6 -0.55 -0.499938564026647 -0.962895263384367 -1.2495 -0.9731 3063831 Maybridge4_001770 O=C(CSc1nnc(o1)c2ccncc2)NC(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A11 compound treatment -0.506 -0.377 -0.54 -0.054 0.0174 0.03 0.014 0.064061435973353 0.123384066969186 -0.218 -0.396 1526124 Maybridge4_001771 S=c1[nH]nc(c2ccncc2)n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A12 compound treatment 0.029 0.158 0.23 0.298 0.369 0.73 0.25 0.300061435973353 0.577926481797978 0.8849 0.9241 3179247 Maybridge4_001772 S=c1[nH]c(=S)c2cnc(nc2[nH]1)N3CCc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A13 compound treatment -0.211 -0.0816 -0.12 0.294 0.365 0.72 0.014 0.064061435973353 0.123384066969186 0.4209 0.5678 3063832 Maybridge4_001773 Cc1cc(C)c2c(n1)sc3c(=O)n(/N=C/c4ccccc4)cnc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A14 compound treatment -0.9 -0.771 -1.1 -0.875 -0.804 -1.59 -0.733 -0.682938564026647 -1.31535823759483 -2.308 -0.9888 3179248 Maybridge4_001774 Fc1ccc(Cn2nc3sc4ccccc4n3c(=O)c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A15 compound treatment -0.712 -0.583 -0.83 -0.076 -0.00456 -0.01 -0.177 -0.126938564026647 -0.244487124693099 -0.6246 -0.7232 3063833 Maybridge4_001775 Clc1ccccc1Cn2nnc3c(=S)[nH]cnc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A16 compound treatment -0.312 -0.183 -0.26 0.031 0.102 0.2 0.144 0.194061435973353 0.373767600561317 0.1827 0.3668 3179249 Maybridge4_001776 CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc2cc(C)nn2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A17 compound treatment -0.97 -0.841 -1.2 -0.523 -0.452 -0.89 -1.337 -1.28693856402665 -2.4786786552075 -2.6359 -0.9112 3063834 Maybridge4_001777 CCOC(=O)c1nnn2c1nc(N(CC)CC)c3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A18 compound treatment -0.54 -0.411 -0.58 -0.208 -0.137 -0.27 -0.297 -0.246938564026647 -0.475610386470451 -0.7673 -0.9594 3179250 Maybridge4_001778 Cc1cc(C)c2c(n1)sc3c(=O)n(NC(=O)Nc4ccccc4)c(C)nc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A19 compound treatment -0.343 -0.214 -0.3 -0.02 0.0514 0.1 -0.324 -0.273938564026647 -0.527613120370355 -0.4213 -0.6826 3063835 Maybridge4_001779 CCOC(=O)c1nn(c2ccccc2)c3nc(=O)c(C#N)c(c4ccccc4)n13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A20 compound treatment -0.2 -0.0706 -0.1 -0.094 -0.0226 -0.04 -0.282 -0.231938564026647 -0.446719978748282 -0.3416 -0.7425 3179251 Maybridge4_001780 O=C(Cn1c(=O)n(c2ccccc2)c(=O)c3cc(sc13)c4ccccc4)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A21 compound treatment -0.012 0.117 0.17 -0.019 0.0524 0.1 -0.187 -0.136938564026647 -0.263747396507878 0.0039 0.0118 3179252 Maybridge4_001781 COc1ccc(cc1)n2ncc(NC(=O)NCc3ccccn3)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A22 compound treatment -0.901 -0.772 -1.1 -0.54 -0.469 -0.93 -0.575 -0.524938564026647 -1.01104594292132 -1.7513 -0.9976 3063836 Maybridge4_001782 COc1ccc(/C=C/2\N=C(N(/N=C/c3cccnc3)C2=O)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A23 mock treatment 0.434 0.563 0.8 -0.018 0.0534 0.11 0.139 0.189061435973353 0.364137464653928 0.7336 0.8278 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 A24 mock treatment 0.154 0.283 0.4 -0.067 0.00444 0.01 0.043 0.093061435973353 0.179238855232046 0.3412 0.7735 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B01 compound treatment -1.091 -0.962 -1.37 -0.621 -0.55 -1.09 -0.544 -0.493938564026647 -0.9513391002955 -1.9651 -0.9885 3179253 Maybridge4_001783 OC(=O)CSc1nnc([nH]1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B02 compound treatment -2.19 -2.06 -2.93 -2.3 -2.23 -4.4 -2.676 -2.62593856402665 -5.05762905120645 -7.152 -0.9776 3063837 Maybridge4_001784 O=c1oc2=C(c3ccccc3)S(=O)(=O)C(=c2o1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B03 compound treatment 0.844 0.973 1.38 0.617 0.688 1.36 0.561 0.611061435973353 1.17692093523761 2.2633 0.9975 3179254 Maybridge4_001785 Cc1cc(C)c2c3NC(=O)CN(C(=O)c3sc2n1)c4ccccc4C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B04 compound treatment -0.789 -0.66 -0.94 -0.672 -0.601 -1.19 -0.786 -0.735938564026647 -1.41743767821316 -2.0444 -0.9865 1701942 Maybridge4_001786 COc1ccc(cc1)N2C(=O)Cc3ccc(OC)cc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B05 compound treatment -0.328 -0.199 -0.28 0.161 0.232 0.46 -0.043 0.007061435973353 0.013600517624944 0.1098 0.2037 3179255 Maybridge4_001787 Clc1ccc(cc1)n2c(=N)c3cnc(nc3[nH]c2=O)N4CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B06 compound treatment 0.417 0.546 0.78 -0.019 0.0524 0.1 -0.167 -0.116938564026647 -0.22522685287832 0.3783 0.4639 1588538 Maybridge4_001788 Cc1oc2cc(O)ccc2c(=O)c1Oc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B07 compound treatment -1.13 -1.0 -1.42 -0.312 -0.241 -0.47 -0.833 -0.782938564026647 -1.50796095574262 -1.9662 -0.9245 3179256 Maybridge4_001789 COc1ccc(cc1)n/2c(cs\c2=N/Cc3cccnc3)c4cccc(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B08 compound treatment -0.304 -0.175 -0.25 0.017 0.0884 0.17 0.429 0.479061435973353 0.922685347282528 0.4902 0.5047 3179257 Maybridge4_001790 O=C(c1ccccc1)c2cccc(NC=C3C(=O)NC(=O)NC3=O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B09 compound treatment -0.544 -0.415 -0.59 -0.467 -0.396 -0.78 -0.6 -0.549938564026647 -1.05919662245826 -1.4028 -0.9728 1289329 Maybridge4_001791 O=C1C(=C(c2ccccc2)S(=O)(=O)c3ccccc13)Cc4ccc(cc4)c5nnn[nH]5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B10 compound treatment -0.009 0.12 0.17 0.05 0.121 0.24 0.141 0.191061435973353 0.367989519016883 0.4497 0.954 1270319 Maybridge4_001792 O=C(c1ccccn1)c2ccc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B11 compound treatment -0.852 -0.723 -1.03 0.15 0.221 0.44 -0.029 0.021061435973353 0.040564898165635 -0.3173 -0.284 1356935 Maybridge4_001793 C1C2CC3CC1CC(C2)(C3)c4cn5ccccc5n4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B12 compound treatment 0.0 0.129 0.18 -0.514 -0.443 -0.87 -0.461 -0.410938564026647 -0.791478844232832 -0.8552 -0.7167 1489551 Maybridge4_001794 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N2CCC(CC2)NC(=O)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B13 compound treatment -0.697 -0.568 -0.81 -0.362 -0.291 -0.57 -0.235 -0.184938564026647 -0.356196701218819 -1.0028 -0.953 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B14 compound treatment -0.92 -0.791 -1.12 -0.306 -0.235 -0.46 -0.155 -0.104938564026647 -0.202114526700584 -1.0331 -0.8382 1649672 Maybridge4_001796 COc1cc(C(=O)CCC(=O)O)c(OC)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B15 compound treatment -0.667 -0.538 -0.76 0.058 0.129 0.26 -0.631 -0.580938564026647 -1.11890346508408 -0.9397 -0.6815 1471910 Maybridge4_001797 Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B16 compound treatment -2.42 -2.29 -3.26 -2.286 -2.21 -4.37 -3.3 -3.24993856402665 -6.25947001244868 -8.0187 -0.966 1205899 Maybridge4_001798 CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B17 compound treatment -0.492 -0.363 -0.52 0.0 0.0714 0.14 -0.174 -0.123938564026647 -0.238709043148665 -0.354 -0.6048 3063863 Maybridge4_001799 CC(=O)Nc1ccc2oc(cc(=O)c2c1)c3ccc(C#N)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B18 compound treatment 0.678 0.807 1.15 -0.273 -0.202 -0.4 -0.127 -0.076938564026647 -0.148185765619202 0.3474 0.2839 3179258 Maybridge4_001800 Cc1c(sc2nc(C)cc(C)c12)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B19 compound treatment -0.117 0.0124 0.02 0.245 0.316 0.62 0.54 0.590061435973353 1.13647436442658 1.0271 0.7919 3063864 Maybridge4_001801 CC(O)/C=C\c1cc[n+](C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B20 compound treatment -1.012 -0.883 -1.25 -1.0 -0.929 -1.83 -0.925 -0.874938564026647 -1.68515545643859 -2.756 -0.9883 3179259 Maybridge4_001802 O=C(NC(=S)NC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B21 compound treatment -0.551 -0.422 -0.6 -0.227 -0.156 -0.31 -0.323 -0.272938564026647 -0.525687093188877 -0.8269 -0.9678 1176828 Maybridge4_001803 COC(=O)C1C(C(C(=O)OC)S(=O)(=O)CS1(=O)=O)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B22 compound treatment -0.446 -0.317 -0.45 -0.273 -0.202 -0.4 -0.947 -0.896938564026647 -1.72752805443111 -1.487 -0.813 1288189 Maybridge4_001804 COC(=O)C1=C(C)NC(=C(C1)C(=O)OC)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B23 mock treatment 0.185 0.314 0.45 0.085 0.156 0.31 0.198 0.248061435973353 0.477773068361126 0.7123 0.9844 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 B24 mock treatment -0.046 0.0834 0.12 0.049 0.12 0.24 0.141 0.191061435973353 0.367989519016883 0.4182 0.9214 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C01 compound treatment -0.759 -0.63 -0.9 -0.354 -0.283 -0.56 -0.072 -0.021938564026647 -0.0422542706379161 -0.8633 -0.8178 3179260 Maybridge4_001805 O=S(=O)(NCC1COc2ccccc2O1)c3ccc(s3)S(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C02 compound treatment -1.048 -0.919 -1.31 -0.921 -0.85 -1.68 -1.194 -1.14393856402665 -2.20325676825616 -2.9946 -0.9781 3063865 Maybridge4_001806 Fc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)c5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C03 compound treatment -0.156 -0.0266 -0.04 -0.323 -0.252 -0.5 -0.317 -0.266938564026647 -0.514130930100009 -0.6054 -0.8457 3179353 Maybridge4_001807 COc1ccc(cc1OC)C(=O)NCc2ccc(C#N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C04 compound treatment -0.582 -0.453 -0.64 -0.323 -0.252 -0.5 -0.288 -0.237938564026647 -0.458276141837149 -0.9229 -0.989 3063866 Maybridge4_001808 O=C(Oc1c(c2ccccc2)c(=O)n3CCc4cccc1c43)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C05 compound treatment -0.558 -0.429 -0.61 0.368 0.439 0.87 0.363 0.413061435973353 0.795567553304984 0.6085 0.459 3179354 Maybridge4_001809 FC(F)(F)c1ccc(cc1)c2nnc(SCc3ccncc3)n2Cc4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C06 compound treatment -0.387 -0.258 -0.37 -0.153 -0.0816 -0.16 -0.494 -0.443938564026647 -0.855037741221603 -0.7981 -0.8454 3063867 Maybridge4_001810 CCOC(=O)c1nnn2c1nc(Sc3nc4ccccc4o3)c5ccccc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C07 compound treatment 0.047 0.176 0.25 0.478 0.549 1.08 -0.061 -0.010938564026647 -0.0210679716416588 0.759 0.6815 3179355 Maybridge4_001811 COc1cccc(Cc2nnc(o2)c3c(C)onc3c4ccccc4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C08 compound treatment 0.6 0.729 1.04 1.275 1.35 2.35 1.099 1.14906143597335 2.11291036342266 3.1754 0.9547 3179356 Maybridge4_001812 C=CCn1c(=S)sc2c(Sc3nnc(o3)c4ccco4)ncnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C09 compound treatment -0.364 -0.235 -0.33 0.056 0.127 0.25 -0.12 -0.069938564026647 -0.134703575348857 -0.1251 -0.2849 3063868 Maybridge4_001813 Clc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c4ccccc4c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C10 compound treatment -0.442 -0.313 -0.44 -0.652 -0.581 -1.15 -0.063 -0.012938564026647 -0.0249200260046147 -0.9328 -0.7586 3179357 Maybridge4_001814 Nc1nc(SCC(=O)NC(=O)Nc2ccccc2)ncc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C11 compound treatment 0.189 0.318 0.45 0.186 0.257 0.51 0.205 0.255061435973353 0.491255258631471 0.8385 0.9988 2099392 Maybridge4_001815 Cc1nc2ccc(F)cc2c3N(CCc31)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C12 compound treatment -0.313 -0.184 -0.26 0.197 0.268 0.53 0.147 0.197061435973353 0.379545682105751 0.3744 0.5332 3179358 Maybridge4_001816 C=CCSc1ncc2c(=S)[nH]c(=S)[nH]c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C13 compound treatment -0.34 -0.211 -0.3 -0.076 -0.00456 -0.01 -0.212 -0.161938564026647 -0.311898076044827 -0.3581 -0.8282 3179359 Maybridge4_001817 Cc1cc(C)c2c(n1)sc3c(SCC(=O)c4ccc(Br)cc4)ncnc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C14 compound treatment 0.017 0.146 0.21 -0.049 0.0224 0.04 0.358 0.408061435973353 0.785937417397595 0.5995 0.7363 3063869 Maybridge4_001818 C=CCn1nc2sc3ccccc3n2c(=O)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C15 compound treatment -0.274 -0.145 -0.21 -0.479 -0.408 -0.8 -0.667 -0.616938564026647 -1.18824044361729 -1.2693 -0.8756 3179360 Maybridge4_001819 COc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C16 compound treatment -0.036 0.0934 0.13 0.484 0.555 1.1 0.116 0.166061435973353 0.319838839479935 0.8945 0.7778 3063871 Maybridge4_001820 CCOC(=O)c1c(C)c(C)sc1NC(=S)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C17 compound treatment 0.635 0.764 1.09 1.268 1.34 2.34 0.857 0.907061435973353 1.74702498095508 2.9898 0.9585 3179361 Maybridge4_001821 CCOC(=O)c1nnn2c1nc(N3CCN(CC3)c4ccccc4)c5ccccc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C18 compound treatment 0.014 0.143 0.2 -0.134 -0.0626 -0.12 -0.118 -0.067938564026647 -0.130851520985901 -0.0291 -0.1072 3063872 Maybridge4_001822 Cc1cc(C)c2c(=O)n(sc2n1)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C19 compound treatment 0.279 0.408 0.58 0.263 0.334 0.66 0.386 0.436061435973353 0.839866178478977 1.2014 0.988 3179362 Maybridge4_001823 COc1ccc(cc1)C2C(=C(N)N3CCc4cc(OC)c(OC)cc4C3=C2C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C20 compound treatment -0.463 -0.334 -0.47 -0.191 -0.12 -0.24 -0.186 -0.135938564026647 -0.2618213693264 -0.5613 -0.9498 3063873 Maybridge4_001824 CNC(=O)NC(=O)Cn1cnc2sc(cc2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C21 compound treatment 0.164 0.293 0.42 0.121 0.192 0.38 0.128 0.178061435973353 0.34295116565767 0.6582 0.9968 3179363 Maybridge4_001825 COc1cc2CCN3C(N(N=C3C(=O)c4cccs4)c5ccccc5)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C22 compound treatment 0.4 0.529 0.75 -0.238 -0.167 -0.33 0.442 0.492061435973353 0.947723700641741 0.7919 0.6314 3063874 Maybridge4_001826 Fc1ccc(/C=N/N2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C23 mock treatment 0.027 0.156 0.22 -0.354 -0.283 -0.56 0.0 0.050061435973353 0.096419686428495 -0.1381 -0.227 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 C24 mock treatment -0.044 0.0854 0.12 0.014 0.0854 0.17 -0.088 -0.037938564026647 -0.073070705541563 0.1253 0.5688 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D01 compound treatment -0.39 -0.261 -0.37 -0.312 -0.241 -0.47 -0.258 -0.207938564026647 -0.400495326392811 -0.7194 -0.9945 3179364 Maybridge4_001827 CCOC(=O)CSc1nc(Nc2ccc(OC)cc2)c3cnc(nc3n1)N(CC)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D02 compound treatment -0.565 -0.436 -0.62 -0.139 -0.0676 -0.13 -0.194 -0.143938564026647 -0.277229586778224 -0.5946 -0.8599 1016783 Maybridge4_001828 CSc1ncnc2[nH]cnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D03 compound treatment -0.283 -0.154 -0.22 -0.118 -0.0466 -0.09 0.0 0.050061435973353 0.096419686428495 -0.1235 -0.4828 3179365 Maybridge4_001829 CCOC(=O)CSc1nc(Nc2ccccc2)c3cnc(nc3n1)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D04 compound treatment 0.809 0.938 1.33 0.283 0.354 0.7 0.016 0.066061435973353 0.127236121332142 1.2478 0.8253 3063875 Maybridge4_001830 CCn1c(C)[n+](CC)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D05 compound treatment -0.281 -0.152 -0.22 -0.562 -0.491 -0.97 -0.113 -0.062938564026647 -0.121221385078511 -0.7537 -0.7539 3179366 Maybridge4_001831 Nc1c(C#N)c(cc2c3ccccc3oc(=O)c12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D06 compound treatment 0.055 0.184 0.26 0.49 0.561 1.11 0.119 0.169061435973353 0.325616921024369 0.9794 0.8267 1156367 Maybridge4_001832 CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D07 compound treatment 0.865 0.994 1.41 -0.131 -0.0596 -0.12 0.296 0.346061435973353 0.666523732145963 1.1332 0.7229 3179367 Maybridge4_001833 CC(/C=N/N1C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D08 compound treatment -0.269 -0.14 -0.2 -0.533 -0.462 -0.91 -0.463 -0.412938564026647 -0.795330898595787 -1.0999 -0.8973 3063876 Maybridge4_001834 COC(=O)c1sc(=S)sc1C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D09 compound treatment 0.269 0.398 0.57 0.187 0.258 0.51 -0.058 -0.00793856402664701 -0.015289890097225 0.6128 0.8036 1027030 Maybridge4_001835 Clc1ccc2OC(CC(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D10 compound treatment -0.051 0.0784 0.11 -0.367 -0.296 -0.58 0.202 0.252061435973353 0.485477177087037 0.0077 0.0101 1567173 Maybridge4_001836 C=CCN1C(=O)NC2(CCCCC2)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D11 compound treatment 0.286 0.415 0.59 0.167 0.238 0.47 0.224 0.274061435973353 0.527849775079552 0.9176 0.9958 1014811 Maybridge4_001837 O=C(N(C(=O)c1ccccc1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D12 compound treatment 0.052 0.181 0.26 0.256 0.327 0.65 0.028 0.078061435973353 0.150348447509877 0.609 0.8552 1422860 Maybridge4_001838 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D13 compound treatment -0.122 0.00741 0.01 0.084 0.155 0.31 -0.143 -0.092938564026647 -0.179002200522849 0.0799 0.2249 3063327 Maybridge4_001839 CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Cl)cc3)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D14 compound treatment -1.625 -1.5 -2.13 -2.103 -2.03 -4.01 -1.661 -1.61093856402665 -3.10271146200635 -5.335 -0.9702 1403045 Maybridge4_001840 COc1cc(c(OC)cc1C)c2cc(OC)c(C)cc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D15 compound treatment -0.809 -0.68 -0.97 -0.914 -0.843 -1.66 -0.685 -0.634938564026647 -1.22290893288389 -2.2244 -0.9758 1267535 Maybridge4_001841 OC(=O)C(Sc1ccccc1C(=O)O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D16 compound treatment -1.021 -0.892 -1.27 -0.516 -0.445 -0.88 -0.61 -0.559938564026647 -1.07845689427304 -1.8613 -0.9892 3063328 Maybridge4_001842 CC(C)(C)[C@H]1COC(=N1)CC2=N[C@H](CO2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D17 compound treatment -2.3 -2.17 -3.09 -1.655 -1.58 -3.13 -3.318 -3.26793856402665 -6.29413850171528 -7.2209 -0.9407 1035033 Maybridge4_001843 O=C(C1=NNCC1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D18 compound treatment -0.05 0.0794 0.11 0.353 0.424 0.84 -0.377 -0.326938564026647 -0.629692560988685 0.1855 0.1759 1414609 Maybridge4_001844 CC(=O)Oc1ccc2c(=O)c(c3nc4ccccc4n3C)c(C)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D19 compound treatment -0.155 -0.0256 -0.04 -0.069 0.00244 0.0 0.265 0.315061435973353 0.606816889520147 0.3321 0.5463 3063329 Maybridge4_001845 CC1=CC(=O)OC(C1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D20 compound treatment -0.646 -0.517 -0.73 -0.507 -0.436 -0.86 -0.085 -0.034938564026647 -0.0672926239971292 -0.9594 -0.8468 1054135 Maybridge4_001846 CCc1c(O)nc2ccccn2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D21 compound treatment 0.231 0.36 0.51 0.053 0.124 0.25 0.301 0.351061435973353 0.676153868053352 0.8281 0.9375 1416442 Maybridge4_001847 CCN(CC)CCC1S(=O)(=O)CC(CS1(=O)=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D22 compound treatment -0.593 -0.464 -0.66 -0.806 -0.735 -1.45 -0.275 -0.224938564026647 -0.433237788477936 -1.4681 -0.8892 3179368 Maybridge4_001848 C(/N=C/c1cn(nc1c2ccccc2)c3ccccc3)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D23 mock treatment 0.118 0.247 0.35 -0.037 0.0344 0.07 0.123 0.173061435973353 0.333321029750281 0.4348 0.8885 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 D24 mock treatment 0.317 0.446 0.63 0.202 0.273 0.54 -0.116 -0.065938564026647 -0.126999466622945 0.6048 0.7176 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E01 compound treatment 0.375 0.504 0.72 0.908 0.979 1.93 0.653 0.703061435973353 1.35411543593358 2.3124 0.9372 3063330 Maybridge4_001849 O=C(Nc1cccs1)N2CCN(CC2)C(=O)C3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E02 compound treatment -1.183 -1.05 -1.5 -0.737 -0.666 -1.31 -0.434 -0.383938564026647 -0.739476110332927 -2.0505 -0.9647 3179369 Maybridge4_001850 Clc1ccc(NC(=O)N2N=C3C(CCc4ccccc34)C2c5cccs5)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E03 compound treatment -0.321 -0.192 -0.27 0.573 0.644 1.27 0.85 0.900061435973353 1.73354279068474 1.5782 0.7281 3063331 Maybridge4_001851 CC(C)(C)c1cc(C(=O)NCc2ccc(C#N)cc2)n(Cc3ccccc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E04 compound treatment -0.442 -0.313 -0.44 -0.312 -0.241 -0.47 -1.408 -1.35793856402665 -2.61542658509243 -2.0409 -0.7572 3179370 Maybridge4_001852 C1Cc2ccccc2N1c3nnc(c4ccccc4)c(n3)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E05 compound treatment 0.06 0.189 0.27 -0.132 -0.0606 -0.12 -0.691 -0.640938564026647 -1.23446509597276 -0.6263 -0.4935 3179371 Maybridge4_001853 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E06 compound treatment -0.03 0.0994 0.14 0.0 0.0714 0.14 0.079 0.129061435973353 0.248575833765252 0.3066 0.9615 3063332 Maybridge4_001854 CCOC(=O)c1nnn2c1nc(Sc3nnc(c4ccncc4)n3C)c5ccccc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E07 compound treatment -0.162 -0.0326 -0.05 0.021 0.0924 0.18 0.081 0.131061435973353 0.252427888128207 0.2244 0.7124 3179372 Maybridge4_001855 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E08 compound treatment 0.38 0.509 0.72 -0.093 -0.0216 -0.04 -0.053 -0.002938564026647 -0.00565975418983537 0.3903 0.538 1566406 Maybridge4_001856 CNc1nc(=S)[nH]c2sc3CCCCc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E09 compound treatment -0.098 0.0314 0.04 0.13 0.201 0.4 0.099 0.149061435973353 0.28709637739481 0.4212 0.8551 3179373 Maybridge4_001857 OC[C@@H]1O[C@@H](C[C@H]1O)n2cnc3c(=O)[nH]cnc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E10 compound treatment -0.467 -0.338 -0.48 -0.266 -0.195 -0.38 -0.346 -0.295938564026647 -0.569985718362869 -0.828 -0.9876 3063334 Maybridge4_001858 COc1ccc(Nc2ncc(C#N)c(N)n2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E11 compound treatment 0.322 0.451 0.64 0.745 0.816 1.61 0.667 0.717061435973353 1.38107981647428 2.0986 0.9463 3179374 Maybridge4_001859 CCNc1nc(=S)[nH]c2n(ncc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E12 compound treatment -0.045 0.0844 0.12 0.052 0.123 0.24 0.014 0.064061435973353 0.123384066969186 0.2812 0.9426 3063335 Maybridge4_001860 CCN(CC)c1ncc2c(=S)[nH]c(=S)[nH]c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E13 compound treatment 0.112 0.241 0.34 -0.04 0.0314 0.06 0.014 0.064061435973353 0.123384066969186 0.3052 0.825 3179375 Maybridge4_001861 Cc1cc(C)c2c(n1)sc3c(Sc4nnc(o4)c5ccncc5)ncnc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E14 compound treatment -0.46 -0.331 -0.47 0.339 0.41 0.81 0.303 0.353061435973353 0.680005922416308 0.5891 0.5089 3179376 Maybridge4_001862 CCOC(=O)N1CCc2c(C1)sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E15 compound treatment -1.417 -1.29 -1.83 -0.343 -0.272 -0.54 -0.365 -0.314938564026647 -0.60658023481095 -1.7167 -0.8576 3063336 Maybridge4_001863 Clc1ccccc1C2C3CCc4ccccc4C3=NN2C(=S)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E16 compound treatment -0.581 -0.452 -0.64 -0.507 -0.436 -0.86 0.217 0.267061435973353 0.514367584809206 -0.5703 -0.4791 1616264 Maybridge4_001864 CC1=NN(C(=O)C1)c2ncnc3sc4CCCCc4c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E17 compound treatment 0.25 0.379 0.54 0.77 0.841 1.66 0.93 0.980061435973353 1.88762496520297 2.3605 0.9178 3179377 Maybridge4_001865 CCOC(=O)c1nnn2c1nc(N(Cc3ccccc3)Cc4ccccc4)c5ccccc52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E18 compound treatment -0.941 -0.812 -1.15 -1.091 -1.02 -2.01 -0.962 -0.911938564026647 -1.75641846215328 -2.8426 -0.9768 3063337 Maybridge4_001866 NNC(=O)/C(=C\c1ccccc1)/NC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E19 compound treatment 0.583 0.712 1.01 1.444 1.52 2.47 0.988 1.03806143597335 1.99933454172869 3.1651 0.949 3179378 Maybridge4_001867 Cc1ccc(Cc2nn3c(nn(c4ccc(Cl)cc4)c3nc2=O)C(=O)c5cccs5)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E20 compound treatment 0.552 0.681 0.97 -0.667 -0.596 -1.18 -1.11 -1.05993856402665 -2.04147048501201 -1.2982 -0.5096 3063338 Maybridge4_001868 Fc1ccc(Cn2nc3CSc4ccccc4-n3c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E21 compound treatment -0.025 0.104 0.15 0.091 0.162 0.32 0.228 0.278061435973353 0.535553883805463 0.5801 0.904 3063339 Maybridge4_001869 Cc1ccc2nc(C)c3CCN(c3c2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E22 compound treatment -0.75 -0.621 -0.88 -0.22 -0.149 -0.29 -0.824 -0.773938564026647 -1.49062671110932 -1.5394 -0.8762 3179379 Maybridge4_001870 Fc1ccc(/C=C\2/N=C(N(CC(=O)c3ccco3)C2=O)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E23 mock treatment -0.724 -0.595 -0.85 0.018 0.0894 0.18 0.0 0.050061435973353 0.096419686428495 -0.3305 -0.3803 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 E24 mock treatment -0.015 0.114 0.16 0.083 0.154 0.3 0.129 0.179061435973353 0.344877192839148 0.4691 0.9608 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F01 compound treatment -0.462 -0.333 -0.47 -0.246 -0.175 -0.34 -0.028 0.022061435973353 0.0424909253471129 -0.4475 -0.7627 3179475 Maybridge4_001871 Cc1cc(nc2oc3C(=O)N(CC(=O)Nc3c12)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F02 compound treatment -0.725 -0.596 -0.85 -0.414 -0.343 -0.68 -0.723 -0.672938564026647 -1.29609796578005 -1.6277 -0.9634 1429948 Maybridge4_001872 CC1(C)C(NC(=O)C2CCCCC2)[C@]3(C)CCC1C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F03 compound treatment 0.074 0.203 0.29 -0.34 -0.269 -0.53 -0.299 -0.248938564026647 -0.479462440833407 -0.416 -0.5394 3179476 Maybridge4_001873 CCN(CC)c1ncc2c(NCc3ccccc3)nc(SCc4ccccc4)nc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F04 compound treatment -0.055 0.0744 0.11 0.099 0.17 0.34 0.013 0.063061435973353 0.121458039787708 0.3255 0.8724 1050962 Maybridge4_001874 NC(=O)CCCCC1CCSS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F05 compound treatment -0.25 -0.121 -0.17 -0.151 -0.0796 -0.16 -0.235 -0.184938564026647 -0.356196701218819 -0.3953 -0.9294 3179477 Maybridge4_001875 O=C(CN1CCc2ccccc12)Nc3scc4c3c(=O)oc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F06 compound treatment 0.817 0.946 1.35 0.39 0.461 0.91 0.388 0.438061435973353 0.843718232841933 1.79 0.9776 3063341 Maybridge4_001876 CC1(C)C2CCC1(C)c3noc(c23)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F07 compound treatment -0.873 -0.744 -1.06 -0.904 -0.833 -1.64 -1.759 -1.70893856402665 -3.29146212579119 -3.4598 -0.9038 1040822 Maybridge4_001877 Cc1ccc(NC(=O)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F08 compound treatment -0.321 -0.192 -0.27 -0.177 -0.106 -0.21 -0.13 -0.079938564026647 -0.153963847163636 -0.3665 -0.9748 1502018 Maybridge4_001878 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F09 compound treatment -0.918 -0.789 -1.12 -0.644 -0.573 -1.13 -0.727 -0.676938564026647 -1.30380207450596 -2.0528 -0.9975 3063363 Maybridge4_001879 O=C1/C(=C/c2ccc(cc2)c3nnn[nH]3)/C(Oc4ccccc14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F10 compound treatment -0.196 -0.0666 -0.09 0.172 0.243 0.48 -0.385 -0.334938564026647 -0.645100778440509 -0.1496 -0.1847 3063364 Maybridge4_001880 CC1(C)NC(=O)N(CC=C)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F11 compound treatment -0.181 -0.0516 -0.07 -0.131 -0.0596 -0.12 -0.284 -0.233938564026647 -0.450572033111238 -0.3704 -0.7857 3063365 Maybridge4_001881 Clc1ccccc1CNC(=S)NC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F12 compound treatment 0.156 0.285 0.41 -0.033 0.0384 0.08 0.0 0.050061435973353 0.096419686428495 0.3338 0.7873 3063366 Maybridge4_001882 Fc1ccc(cc1)N(Cc2ccc(Br)cc2)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F13 compound treatment -0.691 -0.562 -0.8 -0.242 -0.171 -0.34 -0.118 -0.067938564026647 -0.130851520985901 -0.731 -0.8341 1687915 Maybridge4_001883 CC1(C)CC(=O)C=C(C1)Sc2nc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F14 compound treatment 0.63 0.759 1.08 0.325 0.396 0.78 0.421 0.471061435973353 0.907277129830704 1.5991 0.9914 3063367 Maybridge4_001884 C[n+]1ccc(CCc2cc[n+](C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F15 compound treatment -0.333 -0.204 -0.29 -0.209 -0.138 -0.27 -0.087 -0.036938564026647 -0.071144678360085 -0.365 -0.9051 1612566 Maybridge4_001885 CCC(=O)N1N(C(=O)CC)c2cc(Cl)ccc2-n3c1nn(C(=O)CC)c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F16 compound treatment -0.086 0.0434 0.06 0.034 0.105 0.21 -0.212 -0.161938564026647 -0.311898076044827 -0.0242 -0.0638 1406161 Maybridge4_001886 CC(=O)Oc1c(I)c(=O)n(C)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F17 compound treatment -0.175 -0.0456 -0.06 -0.222 -0.151 -0.3 -0.058 -0.00793856402664701 -0.015289890097225 -0.2179 -0.7152 3179478 Maybridge4_001887 CCSC(=O)NC1CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F18 compound treatment 0.73 0.859 1.22 0.323 0.394 0.78 0.02 0.070061435973353 0.134940230058054 1.233 0.8473 3179479 Maybridge4_001888 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F19 compound treatment -0.756 -0.627 -0.89 -0.581 -0.51 -1.01 -0.944 -0.893938564026647 -1.72174997288667 -2.0893 -0.9566 1002179 Maybridge4_001889 Clc1ccc(cc1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F20 compound treatment -1.277 -1.15 -1.63 -1.35 -1.28 -2.52 -1.888 -1.83793856402665 -3.53991963220184 -4.4433 -0.9568 3063368 Maybridge4_001890 CCC(C)Sc1nnc(S)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F21 compound treatment -0.392 -0.263 -0.37 -0.556 -0.485 -0.96 -0.514 -0.463938564026647 -0.893558284851162 -1.2838 -0.9431 3179480 Maybridge4_001891 COC(=O)/C(=C/c1ccccc1)/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F22 compound treatment -0.323 -0.194 -0.28 -0.831 -0.76 -1.5 -1.169 -1.11893856402665 -2.15510608871921 -2.2691 -0.8595 1172572 Maybridge4_001892 O=c1[nH]cc(NCc2ccccc2)c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F23 mock treatment 0.554 0.683 0.97 -0.828 -0.757 -1.49 -0.702 -0.651938564026647 -1.25565139496901 -1.0264 -0.4708 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 F24 mock treatment 0.092 0.221 0.31 -0.049 0.0224 0.04 -0.056 -0.005938564026647 -0.0114378357342692 0.2007 0.631 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G01 compound treatment -0.556 -0.427 -0.61 -0.657 -0.586 -1.16 -0.409 -0.358938564026647 -0.691325430795979 -1.4168 -0.959 3179481 Maybridge4_001893 CCOC(=O)N1CCC(CC1)NC(=O)CCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G02 compound treatment -1.069 -0.94 -1.34 -0.653 -0.582 -1.15 -0.073 -0.022938564026647 -0.044180297819394 -1.4598 -0.8284 3179482 Maybridge4_001894 O=C1CSC2=NC3=C(CCc4ccccc34)C(N12)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G03 compound treatment -0.742 -0.613 -0.87 -0.704 -0.633 -1.25 -0.607 -0.556938564026647 -1.07267881272861 -1.8433 -0.9896 3063369 Maybridge4_001895 CCOC(=O)c1ncn(Cc2ccccc2)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G04 compound treatment -0.78 -0.651 -0.92 -0.613 -0.542 -1.07 0.779 0.829061435973353 1.5967948607998 -0.2295 -0.1076 3063370 Maybridge4_001896 S=c1[nH]nc(Cn2nnc3ccccc23)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G05 compound treatment -0.806 -0.677 -0.96 -0.226 -0.155 -0.31 -0.508 -0.457938564026647 -0.882002121762294 -1.2408 -0.9258 3179483 Maybridge4_001897 COc1cccc(Cc2nnc(o2)c3ccc(s3)c4cccs4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G06 compound treatment -0.267 -0.138 -0.2 -0.299 -0.228 -0.45 0.05 0.100061435973353 0.192721045502392 -0.2611 -0.4958 3063371 Maybridge4_001898 Cn1nc2c3ccccc3n(Cc4ccccc4)c2nc1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G07 compound treatment -1.398 -1.27 -1.8 -0.78 -0.709 -1.4 -1.478 -1.42793856402665 -2.75024848779589 -3.437 -0.9616 3179484 Maybridge4_001899 CCOC(=O)c1cnn(C(=O)Cc2cccc(OC)c2)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G08 compound treatment -0.032 0.0974 0.14 -0.219 -0.148 -0.29 -0.329 -0.278938564026647 -0.537243256277745 -0.3984 -0.6358 1696254 Maybridge4_001900 COc1cc(OC)c2nc(C)c3CCSc3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G09 compound treatment 0.061 0.19 0.27 -0.423 -0.352 -0.69 -0.316 -0.265938564026647 -0.512204902918531 -0.5402 -0.5975 3179485 Maybridge4_001901 CC(=O)Nc1ccccc1OCC2CC(=NO2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G10 compound treatment 0.065 0.194 0.28 0.643 0.714 1.41 0.182 0.232061435973353 0.446956633457479 1.2321 0.8185 3179486 Maybridge4_001902 C1Sc2nnc(c3ccccc3)n2N=C1c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G11 compound treatment 0.157 0.286 0.41 0.276 0.347 0.69 0.138 0.188061435973353 0.36221143747245 0.8403 0.9591 3063373 Maybridge4_001903 S=c1nc(Nc2ccccc2)c3cnn(c4ccccc4)c3[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G12 compound treatment 0.824 0.953 1.36 -0.162 -0.0906 -0.18 0.059 0.109061435973353 0.210055290135693 0.8007 0.5788 3179487 Maybridge4_001904 CN1CCN(CC1)c2ncc3c(=S)[nH]c(=S)[nH]c3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G13 compound treatment 0.054 0.183 0.26 -0.119 -0.0476 -0.09 -0.044 0.006061435973353 0.011674490443466 0.1031 0.3716 3063374 Maybridge4_001905 CCn1c(Sc2ncnc3c2sc4nc(C)cc(C)c43)nnc1c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G14 compound treatment -0.393 -0.264 -0.37 -0.08 -0.00856 -0.02 -0.101 -0.050938564026647 -0.0981090589007761 -0.2828 -0.7292 3179488 Maybridge4_001906 CCOC(=O)N1CCc2c(C(=O)OCC)c(NC(=S)N3CCc4ccccc34)sc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G15 compound treatment 0.116 0.245 0.35 1.159 1.23 2.26 0.864 0.914061435973353 1.76050717122543 2.5214 0.8742 3179489 Maybridge4_001907 CCNC(=S)N1N=C2C(CCc3ccccc23)C1c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G16 compound treatment -0.339 -0.21 -0.3 -0.415 -0.344 -0.68 -0.133 -0.082938564026647 -0.15974192870807 -0.6559 -0.8654 1303898 Maybridge4_001908 CC1=NN(C(=O)C1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G17 compound treatment -0.238 -0.109 -0.15 0.108 0.179 0.35 0.242 0.292061435973353 0.562518264346154 0.4402 0.645 3063375 Maybridge4_001909 CCOC(=O)C1=NN(C2N1CCc3cc(OC)c(OC)cc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G18 compound treatment -0.507 -0.378 -0.54 -0.456 -0.385 -0.76 -0.22 -0.169938564026647 -0.32730629349665 -0.9373 -0.9508 3179490 Maybridge4_001910 COc1cc(/C=C\2/N=C(N(C)C2=O)c3ccccc3)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G19 compound treatment -0.79 -0.661 -0.94 -0.318 -0.247 -0.49 -0.718 -0.667938564026647 -1.28646782987266 -1.5661 -0.9403 3063377 Maybridge4_001911 Cc1c(C)c(=O)n(Cc2ccc(Br)cc2)c(=O)n1Cc3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G20 compound treatment -0.344 -0.215 -0.31 -0.714 -0.643 -1.27 -0.111 -0.060938564026647 -0.117369330715555 -0.9764 -0.7453 3179491 Maybridge4_001912 O=C(Cn1nc2CSc3ccccc3-n2c1=O)NC(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G21 compound treatment 0.328 0.457 0.65 -0.102 -0.0306 -0.06 -0.1 -0.049938564026647 -0.0961830317192982 0.2851 0.4319 3179492 Maybridge4_001913 CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G22 compound treatment -0.232 -0.103 -0.15 -0.455 -0.384 -0.76 -0.392 -0.341938564026647 -0.658582968710854 -0.9017 -0.8891 1150256 Maybridge4_001914 N(c1ccccc1)c2ncnc3sc(cc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G23 mock treatment 0.183 0.312 0.44 -0.097 -0.0256 -0.05 -0.104 -0.053938564026647 -0.10388714044521 0.1673 0.3646 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 G24 mock treatment -0.313 -0.184 -0.26 -0.075 -0.00356 -0.01 0.045 0.095061435973353 0.183090909595002 -0.0491 -0.1538 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H01 compound treatment -0.085 0.0444 0.06 0.034 0.105 0.21 0.129 0.179061435973353 0.344877192839148 0.3558 0.8725 3179493 Maybridge4_001915 COc1cc(cc(OC)c1OC)c2nnc(SCC(=O)c3ccco3)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H02 compound treatment -0.761 -0.632 -0.9 0.314 0.385 0.76 0.0 0.050061435973353 0.096419686428495 -0.0234 -0.0198 1202312 Maybridge4_001916 Clc1ccc(OC2CN(C2)C(=O)N3CC(C3)Oc4ccc(Cl)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H03 compound treatment -0.353 -0.224 -0.32 -0.271 -0.2 -0.39 -0.382 -0.331938564026647 -0.639322696896075 -0.7801 -0.9566 3179494 Maybridge4_001917 O=C(CN1CCc2ccccc12)Nc3nnc(s3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H04 compound treatment -0.319 -0.19 -0.27 -0.318 -0.247 -0.49 0.491 0.541061435973353 1.04209903253416 0.1649 0.1396 1178262 Maybridge4_001918 COc1ccc(cc1)c2nc3cc4Nc5ccccc5Oc4cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H05 compound treatment -0.116 0.0134 0.02 -0.592 -0.521 -1.03 -0.095 -0.044938564026647 -0.0865528958119085 -0.6324 -0.613 3063402 Maybridge4_001919 O=C(Nc1scc2c1c(=O)oc3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H06 compound treatment -0.321 -0.192 -0.27 -0.312 -0.241 -0.47 -1.164 -1.11393856402665 -2.14547595281182 -1.6702 -0.7543 3179495 Maybridge4_001920 FC(F)(F)C(NC(=O)c1cccnc1)(N2CCCC2=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H07 compound treatment -0.253 -0.124 -0.18 0.412 0.483 0.95 -0.5 -0.449938564026647 -0.866593904310471 -0.0507 -0.0389 1117011 Maybridge4_001921 COc1cccc(NC(=O)N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H08 compound treatment -0.811 -0.682 -0.97 -0.432 -0.361 -0.71 0.329 0.379061435973353 0.730082629134735 -0.549 -0.3903 3063403 Maybridge4_001922 NC(=O)c1cc(Cl)c(Cl)cc1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H09 compound treatment 0.133 0.262 0.37 0.716 0.787 1.55 0.729 0.779061435973353 1.50049350172591 1.9794 0.9027 3179496 Maybridge4_001923 O[C@H]1[C@@H](Oc2ccccc2C1=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H10 compound treatment -0.407 -0.278 -0.39 -0.679 -0.608 -1.2 0.2 0.250061435973353 0.481625122724081 -0.6424 -0.4753 3063404 Maybridge4_001924 COc1ncnc(OC)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H11 compound treatment 0.061 0.19 0.27 0.207 0.278 0.55 0.015 0.065061435973353 0.125310094150664 0.5461 0.873 1558852 Maybridge4_001925 CC1=C(C(C2=C(N1)c3ccccc3C2=O)c4ccccc4)C(=O)Nc5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H12 compound treatment 0.0 0.129 0.18 -0.039 0.0324 0.06 0.338 0.388061435973353 0.747416873768036 0.5747 0.7441 1698244 Maybridge4_001926 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H13 compound treatment -0.457 -0.328 -0.47 -0.077 -0.00556 -0.01 -0.217 -0.166938564026647 -0.321528211952216 -0.4609 -0.8142 1372400 Maybridge4_001927 O=c1c(c[nH]c2ccccc12)c3nnnn3c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H14 compound treatment -0.698 -0.569 -0.81 -1.187 -1.12 -2.2 -0.596 -0.545938564026647 -1.05149251373235 -2.3455 -0.9122 3179497 Maybridge4_001928 N1[C@H]([C@H](N=C1c2ccccc2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H15 compound treatment -0.462 -0.333 -0.47 0.079 0.15 0.3 0.117 0.167061435973353 0.321764866661413 0.0843 0.1307 3063405 Maybridge4_001929 CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1OC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H16 compound treatment -1.128 -0.999 -1.42 -0.667 -0.596 -1.18 -0.527 -0.476938564026647 -0.918596638210375 -2.029 -0.9851 1081881 Maybridge4_001930 COC(=O)CSc1nc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H17 compound treatment -0.794 -0.665 -0.94 -0.038 0.0334 0.07 -0.371 -0.320938564026647 -0.618136397899818 -0.8643 -0.7642 3063406 Maybridge4_001931 CC(C)N(C(C)C)C(=O)NCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H18 compound treatment -0.046 0.0834 0.12 -0.293 -0.222 -0.44 -0.229 -0.178938564026647 -0.344640538129951 -0.3831 -0.6728 3179498 Maybridge4_001932 Clc1ccc(cc1)c2nc(SCc3ccccc3)[nH]c(=S)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H19 compound treatment -0.035 0.0944 0.13 -0.626 -0.555 -1.09 -0.509 -0.458938564026647 -0.883928148943772 -1.065 -0.7534 3063407 Maybridge4_001933 OC(=O)c1cc(F)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H20 compound treatment -1.685 -1.56 -2.21 -2.1 -2.03 -4.01 -0.536 -0.485938564026647 -0.935930882843676 -4.1298 -0.8843 1198061 Maybridge4_001934 CC(Oc1ccc(Cl)cc1Cl)c2n[nH]c(=S)n2CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H21 compound treatment 0.417 0.546 0.78 -1.543 -1.47 -2.91 -0.742 -0.691938564026647 -1.33269248222813 -1.9985 -0.6075 3179499 Maybridge4_001935 FC(F)(F)C(NC1CCCCC1)(NC(=O)c2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H22 compound treatment -0.98 -0.851 -1.21 -1.16 -1.09 -2.15 -0.436 -0.385938564026647 -0.743328164695883 -2.3683 -0.9194 1345621 Maybridge4_001936 O=c1[nH][nH]c(=O)n1CCCc2cc3cccc4ccc5cccc2c5c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H23 mock treatment 0.02 0.149 0.21 0.075 0.146 0.29 0.121 0.171061435973353 0.329468975387325 0.4798 0.985 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 H24 mock treatment -0.222 -0.0926 -0.13 0.3 0.371 0.73 0.016 0.066061435973353 0.127236121332142 0.4209 0.5568 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I01 compound treatment -1.128 -0.999 -1.42 -1.172 -1.1 -2.17 -1.0 -0.949938564026647 -1.82960749504944 -3.1307 -0.9858 3179500 Maybridge4_001937 NC(=O)c1ccccc1NCC(=O)c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I02 compound treatment -2.012 -1.88 -2.68 -1.951 -1.88 -3.71 -1.513 -1.46293856402665 -2.81765943914762 -5.3148 -0.989 1786031 Maybridge4_001938 S=c1[nH]nc(Cc2ccccc2)n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I03 compound treatment -0.642 -0.513 -0.73 -0.203 -0.132 -0.26 -0.184 -0.133938564026647 -0.257969314963444 -0.7197 -0.8824 1416652 Maybridge4_001939 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I04 compound treatment -0.754 -0.625 -0.89 -0.119 -0.0476 -0.09 -0.388 -0.337938564026647 -0.650878859984943 -0.9427 -0.8531 3179586 Maybridge4_001940 CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I05 compound treatment -2.165 -2.04 -2.89 -0.963 -0.892 -1.76 -3.853 -3.80293856402665 -7.32456304380598 -6.9162 -0.857 3063409 Maybridge4_001941 Cn1cc(cn1)S(=O)(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I06 compound treatment -0.045 0.0844 0.12 -0.047 0.0244 0.05 -0.029 0.021061435973353 0.040564898165635 0.1206 0.8894 3179587 Maybridge4_001942 Clc1ccccc1CC(C(=O)N2CCc3ccccc23)C(=O)N4CCc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I07 compound treatment 1.633 1.76 1.93 2.415 2.49 2.95 1.695 1.74506143597335 2.52747648536128 4.2733 0.9859 3063410 Maybridge4_001943 CCOC(=O)c1cnn(C(=O)c2ccc(cc2)n3c(C)ccc3C)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I08 compound treatment 0.152 0.281 0.4 -0.226 -0.155 -0.31 0.038 0.088061435973353 0.169608719324656 0.1527 0.2876 1500802 Maybridge4_001944 NC(=O)c1nnc2ccc(Cl)cc2c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I09 compound treatment 0.143 0.272 0.39 0.034 0.105 0.21 -0.143 -0.092938564026647 -0.179002200522849 0.2405 0.5065 1103360 Maybridge4_001945 FC(F)(F)c1ccc(cc1)C(=O)CN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I10 compound treatment 0.489 0.618 0.88 0.848 0.919 1.82 0.802 0.852061435973353 1.6410934859738 2.5033 0.9626 3179588 Maybridge4_001946 O=C(CSc1nnc2NCCCn12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I11 compound treatment 0.128 0.257 0.37 -0.569 -0.498 -0.98 -0.929 -0.878938564026647 -1.6928595651645 -1.3333 -0.6696 1721477 Maybridge4_001947 Cc1nn(c2NC3=C(C(c12)c4cccnc4)C(=O)CC(C)(C)C3)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I12 compound treatment -0.03 0.0994 0.14 -0.115 -0.0436 -0.09 0.057 0.107061435973353 0.206203235772737 0.151 0.5711 1444715 Maybridge4_001948 Cc1nc2cc(C)ccn2c1c3nnco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I13 compound treatment -0.439 -0.31 -0.44 -0.158 -0.0866 -0.17 0.015 0.065061435973353 0.125310094150664 -0.2805 -0.5741 3063411 Maybridge4_001949 Cc1cc(C)c(C#N)c(Sc2ncnc3c2sc4nc(C)cc(C)c43)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I14 compound treatment -1.379 -1.25 -1.78 -0.61 -0.539 -1.06 -0.282 -0.231938564026647 -0.446719978748282 -1.8976 -0.8959 3179589 Maybridge4_001950 COc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I15 compound treatment 0.321 0.45 0.64 0.171 0.242 0.48 0.547 0.597061435973353 1.14995655469692 1.31 0.9353 3179590 Maybridge4_001951 CNC(=S)N1N=C2C(CCc3ccccc23)C1c4ccc(OC)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I16 compound treatment -0.82 -0.691 -0.98 0.458 0.529 1.05 0.11 0.160061435973353 0.308282676391067 0.2147 0.1463 3063412 Maybridge4_001952 CCOC(=O)N1CCc2c(C1)sc3[nH]c(=S)n(c4ccccc4)c(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I17 compound treatment -0.819 -0.69 -0.98 -1.082 -1.01 -2.0 -1.011 -0.960938564026647 -1.85079379404569 -2.7866 -0.9633 3179591 Maybridge4_001953 COc1cc2CCn3c(C(=O)c4cccs4)c(c(C#N)c3-c2cc1OC)c5ccc(C)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I18 compound treatment -0.859 -0.73 -1.04 -0.773 -0.702 -1.39 -0.526 -0.475938564026647 -0.916670611028897 -1.9279 -0.9844 3063413 Maybridge4_001954 Fc1ccc(CN2C(=O)/C(=C\c3ccc(F)cc3)/N=C2c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I19 compound treatment 1.158 1.29 1.7 0.378 0.449 0.89 0.329 0.379061435973353 0.730082629134735 1.9164 0.9333 3179592 Maybridge4_001955 CCC(C)[C@H](NC(=O)c1ccco1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I20 compound treatment -0.204 -0.0746 -0.11 -1.226 -1.15 -2.28 -1.282 -1.23193856402665 -2.37274716022621 -2.7473 -0.8345 3179593 Maybridge4_001956 COc1cccc(c1)C(=O)c2sc3nsc(SCc4ccccc4)c3c2N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I21 compound treatment -0.091 0.0384 0.05 -0.035 0.0364 0.07 0.108 0.158061435973353 0.304430622028112 0.2488 0.7836 3063414 Maybridge4_001957 Cc1cc(C)c2c(N)c(sc2n1)c3nnc(SCC(=O)c4ccccc4)n3CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I22 compound treatment 0.594 0.723 1.03 0.809 0.88 1.74 0.468 0.518061435973353 0.997800407360167 2.1736 0.9648 3179594 Maybridge4_001958 C=CCn1nc2CSc3ccccc3-n2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I23 mock treatment -1.452 -1.32 -1.88 -0.086 -0.0146 -0.03 0.029 0.079061435973353 0.152274474691355 -1.0144 -0.5376 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 I24 mock treatment 0.095 0.224 0.32 -0.247 -0.176 -0.35 0.071 0.121061435973353 0.233167616313428 0.1187 0.2258 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J01 compound treatment -1.721 -1.59 -2.26 -0.533 -0.462 -0.91 0.222 0.272061435973353 0.523997720716596 -1.5301 -0.6132 3179595 Maybridge4_001959 CCOC(=O)CSc1nc(CN2c3ccccc3Sc4ccccc24)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J02 compound treatment -1.0 -0.871 -1.24 -0.872 -0.801 -1.58 -0.541 -0.490938564026647 -0.945561018751066 -2.1732 -0.9793 1402836 Maybridge4_001960 NS(=O)(=O)c1ccc(Cl)cc1Sc2ccccc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J03 compound treatment -0.495 -0.366 -0.52 -0.212 -0.141 -0.28 -0.582 -0.531938564026647 -1.02452813319166 -1.0519 -0.89 3179596 Maybridge4_001961 CCOC(=O)Cn1c(nc(c1c2ccccc2)c3ccccc3)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J04 compound treatment -0.719 -0.59 -0.84 -0.189 -0.118 -0.23 -0.206 -0.155938564026647 -0.300341912955959 -0.7914 -0.86 1114912 Maybridge4_001962 NNC(=O)CNC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J05 compound treatment -1.134 -1.0 -1.43 -1.113 -1.04 -2.06 -1.112 -1.06193856402665 -2.04532253937497 -3.1929 -0.9876 3179597 Maybridge4_001963 Fc1ccc(COc2nc(cc(c3ccco3)c2C#N)c4cccs4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J06 compound treatment 0.54 0.669 0.95 0.492 0.563 1.11 0.553 0.603061435973353 1.16151271778579 1.8624 0.9965 3063348 Maybridge4_001964 FC(F)(F)C(NCc1ccccn1)(NC(=O)c2cccnc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J07 compound treatment -0.062 0.0674 0.1 0.492 0.563 1.11 0.679 0.729061435973353 1.40419214265201 1.5084 0.8408 3179598 Maybridge4_001965 COc1ccc(/N=C/c2cn(cc2\C=N\c3ccc(OC)cc3)c4ccc(OC)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J08 compound treatment -0.791 -0.662 -0.94 -0.512 -0.441 -0.87 -0.314 -0.263938564026647 -0.508352848555576 -1.3388 -0.9713 1550362 Maybridge4_001966 OC(=O)c1ccccc1NC(=O)OCC2c3ccccc3-c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J09 compound treatment -0.382 -0.253 -0.36 0.017 0.0884 0.17 -0.135 -0.084938564026647 -0.163593983071026 -0.201 -0.4657 3179599 Maybridge4_001967 CC1(C)CC(=O)C=C(C1)Sc2nc3cc(Cl)ccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J10 compound treatment -0.241 -0.112 -0.16 -0.354 -0.283 -0.56 -0.487 -0.436938564026647 -0.841555550951258 -0.8996 -0.8801 1156147 Maybridge4_001968 COc1ccc2nc3n(C)c(=O)n(C)c(=O)c3cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J11 compound treatment -0.516 -0.387 -0.55 -0.123 -0.0516 -0.1 -0.025 0.025061435973353 0.0482690068915467 -0.3483 -0.6207 3179600 Maybridge4_001969 O=C1C2=C(NC(=S)NC2c3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J12 compound treatment 0.149 0.278 0.4 0.016 0.0874 0.17 -0.083 -0.032938564026647 -0.0634405696341733 0.2916 0.668 1727811 Maybridge4_001970 COc1cc(CCC(C)NC(=O)c2ccco2)ccc1OC(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J13 compound treatment -0.386 -0.257 -0.36 -0.279 -0.208 -0.41 -0.299 -0.248938564026647 -0.479462440833407 -0.7241 -0.9937 3063350 Maybridge4_001971 COc1ccc(C#N)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J14 compound treatment -0.651 -0.522 -0.74 -0.389 -0.318 -0.63 0.063 0.113061435973353 0.217759398861605 -0.6644 -0.6676 1014022 Maybridge4_001972 O=S(=O)(Cc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J15 compound treatment 0.337 0.466 0.66 0.243 0.314 0.62 -0.105 -0.054938564026647 -0.105813167626688 0.6802 0.7438 3179601 Maybridge4_001973 Nc1n/c(=N\c2ccccc2)/n(c3ccccc3)c(=N)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J16 compound treatment -0.236 -0.107 -0.15 -0.233 -0.162 -0.32 -0.284 -0.233938564026647 -0.450572033111238 -0.5318 -0.9289 3063351 Maybridge4_001974 FC(F)(F)c1ccccc1/N=C/2\CCCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J17 compound treatment -0.292 -0.163 -0.23 0.113 0.184 0.36 -0.107 -0.056938564026647 -0.109665221989644 0.0135 0.0303 3179602 Maybridge4_001975 COCOc1ccc(cc1OC)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J18 compound treatment 0.581 0.71 1.01 -0.033 0.0384 0.08 -0.081 -0.030938564026647 -0.0595885152712175 0.5926 0.584 1465673 Maybridge4_001976 CC(Nc1ccccc1)(C#N)c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J19 compound treatment -0.462 -0.333 -0.47 -0.109 -0.0376 -0.07 -0.278 -0.227938564026647 -0.43901587002237 -0.5693 -0.8765 3179603 Maybridge4_001977 c1ccc(cc1)c2nnc(o2)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J20 compound treatment -0.551 -0.422 -0.6 -1.121 -1.05 -2.07 -0.907 -0.856938564026647 -1.65048696717199 -2.4955 -0.9187 1519121 Maybridge4_001978 CC(Oc1ccccc1c2ccccc2)c3n[nH]c(=S)n3c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J21 compound treatment -0.389 -0.26 -0.37 -0.246 -0.175 -0.34 -0.507 -0.456938564026647 -0.880076094580816 -0.9202 -0.9069 3063353 Maybridge4_001979 COC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J22 compound treatment -0.013 0.116 0.17 -0.014 0.0574 0.11 -0.526 -0.475938564026647 -0.916670611028897 -0.3682 -0.3924 1009264 Maybridge4_001980 CC(NC(=O)C)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J23 mock treatment 0.286 0.415 0.59 0.107 0.178 0.35 -0.062 -0.011938564026647 -0.0229939988231368 0.5311 0.7719 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 J24 mock treatment -0.046 0.0834 0.12 0.046 0.117 0.23 0.056 0.106061435973353 0.204277208591259 0.3203 0.9676 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K01 compound treatment -1.706 -1.58 -2.24 -2.167 -2.1 -4.14 -2.015 -1.96493856402665 -3.78452508424954 -5.8681 -0.9717 3179604 Maybridge4_001981 OC(=O)CSCC(=O)N1CCCN(CC1)c2ccc(cn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K02 compound treatment -0.527 -0.398 -0.57 -0.303 -0.232 -0.46 -0.464 -0.413938564026647 -0.797256925777265 -1.0506 -0.9737 3063380 Maybridge4_001982 CCOC(=O)c1nnn2c1nc(SCC(=O)N)c3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K03 compound treatment -0.862 -0.733 -1.04 -0.222 -0.151 -0.3 -0.095 -0.044938564026647 -0.0865528958119085 -0.823 -0.7574 3179605 Maybridge4_001983 COc1ccc(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K04 compound treatment -0.259 -0.13 -0.18 -0.222 -0.151 -0.3 0.027 0.077061435973353 0.148422420328399 -0.1923 -0.5062 3063381 Maybridge4_001984 CNC(=O)NC(=O)CSc1nnc(c2ccncc2)n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K05 compound treatment -1.746 -1.62 -2.3 -0.594 -0.523 -1.03 -0.525 -0.474938564026647 -0.914744583847419 -2.4508 -0.9144 3179606 Maybridge4_001985 S=C(NCC1CC(=NO1)c2ccccc2)NCc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K06 compound treatment -0.526 -0.397 -0.56 -0.631 -0.56 -1.1 -0.279 -0.228938564026647 -0.440941897203848 -1.218 -0.9252 3179607 Maybridge4_001986 CCOc1nc-2c(Cc3ccccc32)c(c4ccco4)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K07 compound treatment -0.46 -0.331 -0.47 0.192 0.263 0.52 -0.212 -0.161938564026647 -0.311898076044827 -0.1511 -0.197 3063383 Maybridge4_001987 Sc1nnc(Cc2ccsc2)n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K08 compound treatment -0.113 0.0164 0.02 -0.383 -0.312 -0.62 0.0 0.050061435973353 0.096419686428495 -0.286 -0.459 3179608 Maybridge4_001988 O=c1[nH]c-2c(CCc3ccccc32)c(c1C#N)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K09 compound treatment -0.096 0.0334 0.05 0.234 0.305 0.6 -0.114 -0.063938564026647 -0.123147412259989 0.3045 0.4933 3063384 Maybridge4_001989 C=CCSc1c2CCCc2c(C#N)c3nc4ccccc4n13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K10 compound treatment 0.164 0.293 0.42 -0.549 -0.478 -0.94 -0.108 -0.057938564026647 -0.111591249171122 -0.368 -0.3548 3179609 Maybridge4_001990 O=C(N1CCCn2c(SCc3ccccc3)nnc12)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K11 compound treatment 0.161 0.29 0.41 0.338 0.409 0.81 0.055 0.105061435973353 0.202351181409781 0.822 0.8838 3063386 Maybridge4_001991 CCNC(=S)Nc1sc2CC(C)CCc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K12 compound treatment 0.824 0.953 1.36 -0.366 -0.295 -0.58 -0.197 -0.146938564026647 -0.283007668322658 0.2834 0.1887 3179610 Maybridge4_001992 Cc1sc2nc3SCC(=Nn3c(=O)c2c1C)c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K13 compound treatment 2.892 3.02 2.28 1.957 2.03 2.76 0.463 0.513061435973353 0.988170271452777 3.4776 0.9372 3063387 Maybridge4_001993 CCOC(=O)c1oc2nc(cc(c3ccco3)c2c1N)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K14 compound treatment -0.484 -0.355 -0.5 -0.333 -0.262 -0.52 -0.229 -0.178938564026647 -0.344640538129951 -0.7882 -0.9855 3179611 Maybridge4_001994 C1Sc2ccccc2-n3c(nnc13)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K15 compound treatment -0.536 -0.407 -0.58 -0.492 -0.421 -0.83 -0.329 -0.278938564026647 -0.537243256277745 -1.1234 -0.9806 3179694 Maybridge4_001995 CCOC(=O)c1nnn2c1n(C)c(=O)c3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K16 compound treatment -0.934 -0.805 -1.14 -0.631 -0.56 -1.1 -0.567 -0.516938564026647 -0.995637725469492 -1.8732 -0.9983 3063389 Maybridge4_001996 O=c1c(nnc2sc3ccccc3n12)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K17 compound treatment -0.705 -0.576 -0.82 -0.156 -0.0846 -0.17 -0.034 0.016061435973353 0.0309347622582453 -0.551 -0.6593 3179695 Maybridge4_001997 CCOC(=O)C1=NN(C2C1c3cccc4cccc2c34)c5ccc(C)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K18 compound treatment 0.636 0.765 1.09 0.2 0.271 0.54 0.652 0.702061435973353 1.35218940875211 1.7184 0.946 3063390 Maybridge4_001998 Clc1ccccc1/C=C\2/N=C(N(CC=C)C2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K19 compound treatment -0.968 -0.839 -1.19 -0.431 -0.36 -0.71 -0.47 -0.419938564026647 -0.808813088866133 -1.5652 -0.9745 3179696 Maybridge4_001999 O=C(NCC1COc2ccccc2O1)Nc3csc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K20 compound treatment -0.6 -0.471 -0.67 -0.177 -0.106 -0.21 -0.324 -0.273938564026647 -0.527613120370355 -0.8112 -0.9248 3179697 Maybridge4_002000 CNC(=O)NC(=O)CSc1ncnc2sc(cc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K21 compound treatment -0.278 -0.149 -0.21 -0.329 -0.258 -0.51 -0.563 -0.512938564026647 -0.98793361674358 -0.986 -0.8717 3063391 Maybridge4_002001 Cc1cc(C)c2c(N)c(sc2n1)c3nnc(SCc4ccc(Cl)cc4)n3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K22 compound treatment -0.109 0.0204 0.03 -0.361 -0.29 -0.57 -0.364 -0.313938564026647 -0.604654207629472 -0.6624 -0.7956 3179698 Maybridge4_002002 S=c1[nH]nc(CSc2nc(cn2c3ccccc3)c4ccccc4)n1c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K23 mock treatment 0.123 0.252 0.36 -0.292 -0.221 -0.44 0.053 0.103061435973353 0.198499127046825 0.0704 0.1176 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 K24 mock treatment 0.011 0.14 0.2 0.083 0.154 0.3 0.03 0.080061435973353 0.154200501872833 0.3803 0.9611 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L01 compound treatment 2.22 2.35 2.12 0.824 0.895 1.77 0.928 0.978061435973353 1.88377291084002 3.3327 0.9971 3063422 Maybridge4_002003 CCOC(=O)CSc1nc(SCC(=O)OCC)c2c3CCCc3sc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L02 compound treatment -1.628 -1.5 -2.13 -0.329 -0.258 -0.51 -0.625 -0.574938564026647 -1.10734730199521 -2.1631 -0.8813 1536081 Maybridge4_002004 OC(=O)c1ccccc1Sc2ccccc2S(=O)(=O)NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L03 compound treatment -0.841 -0.712 -1.01 -1.411 -1.34 -2.64 -1.103 -1.05293856402665 -2.02798829474166 -3.2821 -0.9423 3179699 Maybridge4_002005 C=CCn1c(nc(c1c2ccccc2)c3ccccc3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L04 compound treatment -0.48 -0.351 -0.5 -0.103 -0.0316 -0.06 -0.071 -0.020938564026647 -0.0403282434564381 -0.3471 -0.6886 1430538 Maybridge4_002006 COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L05 compound treatment 1.651 1.78 1.93 0.111 0.182 0.36 0.698 0.748061435973353 1.44078665910009 2.1562 0.8844 3179700 Maybridge4_002007 N=c1n(Nc2ccccc2)cnc3sc4CCCc4c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L06 compound treatment -0.045 0.0844 0.12 -0.831 -0.76 -1.5 -0.276 -0.225938564026647 -0.435163815659414 -1.0478 -0.669 3063426 Maybridge4_002008 Cc1ccc(cc1)C(=O)NC(NCc2ccco2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L07 compound treatment -0.135 -0.00559 -0.01 -0.08 -0.00856 -0.02 -0.39 -0.339938564026647 -0.654730914347898 -0.3924 -0.599 3179701 Maybridge4_002009 Brc1ccc(s1)c2ccc(Br)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L08 compound treatment -0.648 -0.519 -0.74 0.197 0.268 0.53 0.073 0.123061435973353 0.237019670676384 0.0172 0.0183 1371799 Maybridge4_002010 CCOC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L09 compound treatment 0.889 1.02 1.45 -1.591 -1.52 -3.0 -0.075 -0.024938564026647 -0.0480323521823499 -0.924 -0.2773 1134767 Maybridge4_002011 C1C(=Cc2ccccc12)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L10 compound treatment 0.039 0.168 0.24 0.163 0.234 0.46 0.462 0.512061435973353 0.9862442442713 0.9749 0.874 1364288 Maybridge4_002012 O=C(NC1CCN(CC1)C(=O)C2CCC2)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L11 compound treatment 0.135 0.264 0.38 0.113 0.184 0.36 -0.031 0.019061435973353 0.0367128438026791 0.4485 0.8548 1570440 Maybridge4_002013 Oc1cc(Cc2ccccc2)cnc1CN3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L12 compound treatment -0.075 0.0544 0.08 0.0 0.0714 0.14 0.129 0.179061435973353 0.344877192839148 0.3252 0.8546 1227426 Maybridge4_002014 CC(C)C1CCC(C)CC1N(Cc2ccccc2)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L13 compound treatment -0.357 -0.228 -0.32 -0.461 -0.39 -0.77 0.065 0.115061435973353 0.221611453224561 -0.503 -0.5825 1583701 Maybridge4_002015 N[C@@H](CO)CSCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L14 compound treatment -1.133 -1.0 -1.43 -0.761 -0.69 -1.36 -0.407 -0.356938564026647 -0.687473376433023 -2.0068 -0.9608 1368346 Maybridge4_002016 COc1cc(CCc2cc(OC)c(C)cc2OC)c(OC)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L15 compound treatment -0.628 -0.499 -0.71 -0.171 -0.0996 -0.2 -0.143 -0.092938564026647 -0.179002200522849 -0.6261 -0.827 3063428 Maybridge4_002017 FC(F)(F)C(NC(=O)c1ccccc1)(Nc2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L16 compound treatment -0.3 -0.171 -0.24 -0.275 -0.204 -0.4 -0.298 -0.247938564026647 -0.477536413651929 -0.6478 -0.9674 1023708 Maybridge4_002018 COc1ccc(cc1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L17 compound treatment 0.429 0.558 0.79 0.471 0.542 1.07 0.787 0.837061435973353 1.61220307825163 2.0076 0.9596 1344186 Maybridge4_002019 CC(=O)N1C(C(=O)NC1=S)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L18 compound treatment 0.371 0.5 0.71 -0.305 -0.234 -0.46 -0.183 -0.132938564026647 -0.256043287781967 -0.0033 -0.0037 3179703 Maybridge4_002020 CC(C)C(C)(Nc1ccccc1)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L19 compound treatment -0.478 -0.349 -0.5 -0.321 -0.25 -0.49 -0.455 -0.404938564026647 -0.779922681143964 -1.0209 -0.9749 1047316 Maybridge4_002021 OC(=O)c1ccc(s1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L20 compound treatment -0.712 -0.583 -0.83 -0.421 -0.35 -0.69 -0.575 -0.524938564026647 -1.01104594292132 -1.4605 -0.9881 3179704 Maybridge4_002022 Brc1ccccc1C(=O)c2ccc-3c(c2)C(=O)c4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L21 compound treatment 0.537 0.666 0.95 0.278 0.349 0.69 0.064 0.114061435973353 0.219685426043083 1.0722 0.8991 3063451 Maybridge4_002023 FC(F)(F)C(NC(=O)c1ccccc1)(OCc2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L22 compound treatment 0.038 0.167 0.24 0.306 0.377 0.75 0.014 0.064061435973353 0.123384066969186 0.6389 0.8067 3179705 Maybridge4_002024 CCOC(=O)CSc1nncc(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L23 mock treatment -0.077 0.0524 0.07 -0.024 0.0474 0.09 -0.03 0.020061435973353 0.0386388709841571 0.1194 0.9494 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 L24 mock treatment -0.203 -0.0736 -0.1 -0.056 0.0154 0.03 0.172 0.222061435973353 0.427696361642699 0.2041 0.4625 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M01 compound treatment -0.01 0.119 0.17 1.1 1.17 2.21 1.061 1.11106143597335 2.07913033615545 2.5728 0.8471 3063453 Maybridge4_002025 Cc1ccc(CNC(=O)Nc2ccccc2)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M02 compound treatment -0.329 -0.2 -0.28 -0.102 -0.0306 -0.06 -0.368 -0.317938564026647 -0.612358316355384 -0.5522 -0.815 3179706 Maybridge4_002026 CCOC(=O)c1nnn2c1nc(SCc3ccc(F)cc3)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M03 compound treatment -2.63 -2.5 -3.56 -1.015 -0.944 -1.86 -1.222 -1.17193856402665 -2.25718552933754 -4.4315 -0.9623 3179707 Maybridge4_002027 O=C(Nc1ccc(OCc2ccccc2)cc1)OCC3CN(Cc4ccccc4)CCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M04 compound treatment -0.512 -0.383 -0.54 -0.39 -0.319 -0.63 -0.535 -0.484938564026647 -0.934004855662198 -1.2165 -0.9727 3063456 Maybridge4_002028 O=C(CC(C(=O)N1CCc2ccccc12)C(=O)N3CCc4ccccc34)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M05 compound treatment -0.684 -0.555 -0.79 0.145 0.216 0.43 -0.024 0.026061435973353 0.0501950340730246 -0.1795 -0.1999 3179708 Maybridge4_002029 O=C(OCC1CC(=NO1)c2ccccc2)c3cccc(n3)C(=O)OCC4CC(=NO4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M06 compound treatment -0.266 -0.137 -0.19 -0.068 0.00344 0.01 -0.056 -0.005938564026647 -0.0114378357342692 -0.1148 -0.5898 3063457 Maybridge4_002030 CC1=Nn2c(Cn3nnc4ccccc34)nnc2SC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M07 compound treatment -0.214 -0.0846 -0.12 0.34 0.411 0.81 0.831 0.881061435973353 1.69694827423666 1.3793 0.7317 3179709 Maybridge4_002031 C/C(=N\O)/C(C)(C)Nc1ccc(cc1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M08 compound treatment 0.141 0.27 0.38 -0.358 -0.287 -0.57 -0.444 -0.393938564026647 -0.758736382147707 -0.5428 -0.5313 3063458 Maybridge4_002032 O=C(Oc1cc(=O)oc2c3cccc4CCn(c(=O)c12)c43)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M09 compound treatment 0.088 0.217 0.31 -0.298 -0.227 -0.45 -0.205 -0.154938564026647 -0.298415885774481 -0.2521 -0.4065 2096080 Maybridge4_002033 CCOC(=O)c1sc2n(c3ccccc3)c(=S)n(c4ccccc4)c(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M10 compound treatment -0.578 -0.449 -0.64 0.523 0.594 1.17 -0.105 -0.054938564026647 -0.105813167626688 0.2483 0.1853 3179710 Maybridge4_002034 CCOC(=O)N1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc34)sc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M11 compound treatment 0.505 0.634 0.9 -0.737 -0.666 -1.31 -0.568 -0.517938564026647 -0.99756375265097 -0.8139 -0.4328 3063459 Maybridge4_002035 O=C(COc1nc(cc(c2cccs2)c1C#N)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M12 compound treatment 0.029 0.158 0.23 0.241 0.312 0.62 0.192 0.242061435973353 0.466216905272258 0.7554 0.9379 3063460 Maybridge4_002036 O=c1n(CN2CCOCC2)nc3sc4ccccc4n3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M13 compound treatment -0.243 -0.114 -0.16 -0.063 0.00844 0.02 -0.149 -0.098938564026647 -0.190558363611717 -0.1936 -0.7735 3179711 Maybridge4_002037 Nc1c(oc2nc(cc(c3cccs3)c12)c4ccco4)C(=O)c5ccc(Cl)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M14 compound treatment -0.563 -0.434 -0.62 -0.383 -0.312 -0.62 0.013 0.063061435973353 0.121458039787708 -0.641 -0.7289 3063486 Maybridge4_002038 Cc1nc2n(ncc2c(=O)n1NC(=O)Nc3ccc(Cl)c(Cl)c3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M15 compound treatment -0.493 -0.364 -0.52 0.115 0.186 0.37 0.221 0.271061435973353 0.522071693535118 0.2155 0.2622 3179712 Maybridge4_002039 CCOC(=O)c1nnn2c1n(CC=C)c(=O)c3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M16 compound treatment -0.181 -0.0516 -0.07 -0.111 -0.0396 -0.08 0.295 0.345061435973353 0.664597704964485 0.2963 0.4401 3063487 Maybridge4_002040 COC(=O)C1=C(C)N=C2SC(=C(N)N2C1c3cccs3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M17 compound treatment -0.48 -0.351 -0.5 -0.905 -0.834 -1.65 -0.126 -0.075938564026647 -0.146259738437724 -1.3225 -0.7662 3179713 Maybridge4_002041 O=C/1NN=C(\C1=C\2/OC(=CS2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M18 compound treatment -1.113 -0.984 -1.4 -0.918 -0.847 -1.67 -0.986 -0.935938564026647 -1.80264311450875 -2.8132 -0.9947 3179714 Maybridge4_002042 Clc1ccc(CN2C(=O)/C(=C\c3cccs3)/N=C2c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M19 compound treatment -0.34 -0.211 -0.3 -0.295 -0.224 -0.44 -0.375 -0.324938564026647 -0.625840506625729 -0.7891 -0.9596 3063489 Maybridge4_002043 COc1ccc(cc1)n2ncc(NC(=O)N3CCOCC3)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M20 compound treatment 0.273 0.402 0.57 -0.459 -0.388 -0.77 -0.238 -0.187938564026647 -0.361974782763253 -0.3205 -0.3137 3179715 Maybridge4_002044 O=c1c(nc(nn1CN2CCOCC2)c3ccccc3)C(CN4CCOCC4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M21 compound treatment 0.15 0.279 0.4 0.067 0.138 0.27 -0.122 -0.071938564026647 -0.138555629711813 0.3072 0.6122 3063490 Maybridge4_002045 Clc1ccccc1C2C3CCc4ccccc4C3=NN2C(=O)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M22 compound treatment -0.43 -0.301 -0.43 -0.338 -0.267 -0.53 -0.48 -0.429938564026647 -0.828073360680912 -1.0287 -0.9612 3179716 Maybridge4_002046 CCOC(=O)c1cnc(nc1N)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M23 mock treatment -0.868 -0.739 -1.05 -0.035 0.0364 0.07 0.222 0.272061435973353 0.523997720716596 -0.2622 -0.223 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 M24 mock treatment 0.486 0.615 0.87 0.172 0.243 0.48 0.027 0.077061435973353 0.148422420328399 0.8684 0.8604 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N01 compound treatment -0.41 -0.281 -0.4 -0.361 -0.29 -0.57 -0.275 -0.224938564026647 -0.433237788477936 -0.8106 -0.9875 3063492 Maybridge4_002047 O=C1CSc2nnc(c3ccccc3)n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N02 compound treatment -0.892 -0.763 -1.08 -0.94 -0.869 -1.71 -0.5 -0.449938564026647 -0.866593904310471 -2.1165 -0.9593 1229835 Maybridge4_002048 OC(=O)c1ccccc1Sc2ccccc2S(=O)(=O)NC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N03 compound treatment -1.0 -0.871 -1.24 -0.581 -0.51 -1.01 -0.61 -0.559938564026647 -1.07845689427304 -1.9182 -0.9962 1256899 Maybridge4_002049 c1csc(c1)c2nc(c([nH]2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N04 compound treatment 0.627 0.756 1.08 -0.052 0.0194 0.04 0.091 0.141061435973353 0.271688159942987 0.7999 0.7207 3178130 Maybridge4_002050 CCCc1cc(O)nc(SC/C=C/c2ccccc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N05 compound treatment 0.041 0.17 0.24 0.965 1.04 2.05 0.824 0.874061435973353 1.68346608396631 2.2934 0.8619 3178131 Maybridge4_002051 CCNc1nc(SCC(=O)NC(=O)NCc2ccccc2)nc3sc4CN(C)CCc4c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N06 compound treatment 0.257 0.386 0.55 0.151 0.222 0.44 0.162 0.212061435973353 0.40843608982792 0.8066 0.9917 3063494 Maybridge4_002052 CC1CN=C(S1)N(C2CCCCC2)C(=O)Nc3cccc(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N07 compound treatment 0.232 0.361 0.51 0.021 0.0924 0.18 -0.131 -0.080938564026647 -0.155889874345114 0.312 0.5502 3178132 Maybridge4_002053 Cc1ccc(OC(=O)OCSc2nnn[nH]2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N08 compound treatment -0.649 -0.52 -0.74 -0.729 -0.658 -1.3 -0.79 -0.739938564026647 -1.42514178693907 -1.9989 -0.9682 1423044 Maybridge4_002054 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N09 compound treatment 0.052 0.181 0.26 -0.328 -0.257 -0.51 -0.382 -0.331938564026647 -0.639322696896075 -0.5127 -0.5993 1177114 Maybridge4_002055 Brc1ccc(cc1)N2C(=O)C3=C(C2=O)C(=NCCN3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N10 compound treatment 0.16 0.289 0.41 -0.182 -0.111 -0.22 0.162 0.212061435973353 0.40843608982792 0.3473 0.5607 1659522 Maybridge4_002056 Clc1cccc(Cl)c1C(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N11 compound treatment -0.092 0.0374 0.05 0.211 0.282 0.56 -0.063 -0.012938564026647 -0.0249200260046147 0.3383 0.6033 1381385 Maybridge4_002057 CN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N12 compound treatment 0.045 0.174 0.25 0.06 0.131 0.26 0.086 0.136061435973353 0.262058024035597 0.4443 0.9997 1409714 Maybridge4_002058 COc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N13 compound treatment 0.163 0.292 0.42 0.061 0.132 0.26 -0.254 -0.203938564026647 -0.3927912176669 0.1642 0.2611 1704266 Maybridge4_002059 CC(C)(C)C(=O)Nc1ccccc1Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N14 compound treatment -0.569 -0.44 -0.63 0.169 0.24 0.47 -0.095 -0.044938564026647 -0.0865528958119085 -0.1367 -0.1731 3178133 Maybridge4_002060 NNC(=O)c1cc(S)ncn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N15 compound treatment -0.367 -0.238 -0.34 0.035 0.106 0.21 -0.292 -0.241938564026647 -0.465980250563061 -0.3427 -0.5594 3063524 Maybridge4_002061 CC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N16 compound treatment 0.048 0.177 0.25 0.276 0.347 0.69 -0.078 -0.027938564026647 -0.0538104337267837 0.5106 0.6967 3178134 Maybridge4_002062 C/C(=N\c1ccccc1C(F)(F)F)/c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N17 compound treatment -0.529 -0.4 -0.57 -0.167 -0.0956 -0.19 0.0 0.050061435973353 0.096419686428495 -0.3813 -0.6288 1020871 Maybridge4_002063 O=C1NC(C(=O)N1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N18 compound treatment 0.16 0.289 0.41 -0.619 -0.548 -1.08 -0.242 -0.191938564026647 -0.369678891489164 -0.6001 -0.4941 1667495 Maybridge4_002064 Clc1ccc2[nH]c(=O)c3nc(oc3c2c1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N19 compound treatment -0.97 -0.841 -1.2 -0.509 -0.438 -0.86 -0.818 -0.767938564026647 -1.47907054802045 -2.0428 -0.978 1670169 Maybridge4_002065 CC(C)c1ccc(cc1)S(=O)(=O)CC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N20 compound treatment -0.416 -0.287 -0.41 -0.07 0.00144 0.0 -0.507 -0.456938564026647 -0.880076094580816 -0.7417 -0.7648 1596128 Maybridge4_002066 CCOC(=O)C1CCN(C1=O)S(=O)(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N21 compound treatment -0.047 0.0824 0.12 -0.449 -0.378 -0.75 -0.689 -0.638938564026647 -1.2306130416098 -1.0733 -0.7435 1008385 Maybridge4_002067 O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N22 compound treatment 1.061 1.19 1.64 1.465 1.54 2.48 1.543 1.59306143597335 2.43856705351432 3.7913 0.9848 1546853 Maybridge4_002068 Cn1c(=O)n(C)c2ncn(CC(O)CN(CC=C)CC=C)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N23 mock treatment 0.293 0.422 0.6 0.077 0.148 0.29 0.162 0.212061435973353 0.40843608982792 0.7518 0.9599 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 N24 mock treatment 0.134 0.263 0.37 -0.125 -0.0536 -0.11 0.043 0.093061435973353 0.179238855232046 0.2586 0.6037 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O01 compound treatment -0.182 -0.0526 -0.07 0.247 0.318 0.63 0.015 0.065061435973353 0.125310094150664 0.3922 0.6076 3063527 Maybridge4_002069 O=C(Nc1sccc1c2nc3ccccc3s2)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O02 compound treatment 0.273 0.402 0.57 0.194 0.265 0.52 -0.159 -0.108938564026647 -0.209818635426496 0.5118 0.6367 3178135 Maybridge4_002070 CCOC(=O)CSc1nnc(Cn2nnc3ccccc23)n1c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O03 compound treatment -0.316 -0.187 -0.27 -0.238 -0.167 -0.33 -0.254 -0.203938564026647 -0.3927912176669 -0.5698 -0.9877 3063528 Maybridge4_002071 Cc1ccc(cc1)S(=O)(=O)NC(=O)OCC2CN(Cc3ccccc3)CCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O04 compound treatment -0.104 0.0254 0.04 0.134 0.205 0.41 -0.276 -0.225938564026647 -0.435163815659414 0.0038 0.0064 3178136 Maybridge4_002072 Cn1nc2c3ccccc3n(CC=C)c2nc1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O05 compound treatment -1.0 -0.871 -1.24 -0.952 -0.881 -1.74 -0.817 -0.766938564026647 -1.47714452083898 -2.5713 -0.9906 3178137 Maybridge4_002073 Clc1ccc(cc1)n2ncc(n2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O06 compound treatment -0.395 -0.266 -0.38 -0.477 -0.406 -0.8 -0.014 0.036061435973353 0.069455305887804 -0.6402 -0.7209 3178138 Maybridge4_002074 Brc1ccc(cc1)C2=Nn3c(Cn4nnc5ccccc45)nnc3SC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O07 compound treatment -0.258 -0.129 -0.18 -0.174 -0.103 -0.2 -0.217 -0.166938564026647 -0.321528211952216 -0.4081 -0.9678 1760428 Maybridge4_002075 O=C(Nc1ccc2OCCOc2c1)c3ccc4nccnc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O08 compound treatment 0.13 0.259 0.37 -0.079 -0.00756 -0.01 -0.053 -0.002938564026647 -0.00565975418983537 0.2011 0.5446 3178139 Maybridge4_002076 CNC(=O)NC(=O)CSc1nnc(o1)c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O09 compound treatment 0.147 0.276 0.39 0.109 0.18 0.36 -0.054 -0.003938564026647 -0.0075857813713133 0.4282 0.8072 3178140 Maybridge4_002077 CCOC(=O)COc1c(C#N)sc2n(c3ccccc3)c(=S)n(c4ccccc4)c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O10 compound treatment -0.275 -0.146 -0.21 0.114 0.185 0.37 -0.59 -0.539938564026647 -1.03993635064348 -0.5085 -0.4533 3063548 Maybridge4_002078 S=c1[nH]c(=S)c2cnc(nc2[nH]1)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O11 compound treatment 0.138 0.267 0.38 0.395 0.466 0.92 -0.081 -0.030938564026647 -0.0595885152712175 0.7168 0.7182 1200067 Maybridge4_002079 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O12 compound treatment -0.277 -0.148 -0.21 0.07 0.141 0.28 0.062 0.112061435973353 0.215833371680127 0.1647 0.4011 2102976 Maybridge4_002080 COc1ccc(cc1)C2=Nn3c(SC2)nc4sc5CCCCc5c4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O13 compound treatment -0.407 -0.278 -0.39 0.014 0.0854 0.17 0.029 0.079061435973353 0.152274474691355 -0.0426 -0.0934 3063550 Maybridge4_002081 Cc1cc(C)c(C#N)c(Sc2ncnc3n(Cc4ccccc4)nnc23)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O14 compound treatment 0.066 0.195 0.28 -0.097 -0.0256 -0.05 0.191 0.241061435973353 0.46429087809078 0.3993 0.7348 3178141 Maybridge4_002082 O=c1n(/N=C/c2cccs2)cnc3sc(cc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O15 compound treatment -1.069 -0.94 -1.34 0.265 0.336 0.66 0.25 0.300061435973353 0.577926481797978 -0.0541 -0.0338 3178142 Maybridge4_002083 CCOC(=O)c1nnn2c1n(Cc3ccc(Cl)cc3)c(=O)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O16 compound treatment -0.403 -0.274 -0.39 0.032 0.103 0.2 -0.105 -0.054938564026647 -0.105813167626688 -0.1678 -0.3712 3063551 Maybridge4_002084 COc1cc(/C=N/n2c(C)nc3n(cnc3c2=O)c4ccccc4)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O17 compound treatment -0.738 -0.609 -0.87 -0.049 0.0224 0.04 -0.29 -0.239938564026647 -0.462128196200105 -0.7408 -0.7544 3178143 Maybridge4_002085 O=c1nc2n(nc(c3ccccc3)n2c(c1C#N)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O18 compound treatment -0.142 -0.0126 -0.02 -0.426 -0.355 -0.7 -0.377 -0.326938564026647 -0.629692560988685 -0.7781 -0.8262 3063552 Maybridge4_002086 C1Cc2ccccc2N1c3ncnc4sc(cc34)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O19 compound treatment -0.254 -0.125 -0.18 -0.304 -0.233 -0.46 -0.319 -0.268938564026647 -0.517982984462965 -0.6664 -0.9327 3178144 Maybridge4_002087 COc1ccc(cc1)n2ncc(NC(=O)Nc3ccc4OCCCOc4c3)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O20 compound treatment -0.053 0.0764 0.11 -0.354 -0.283 -0.56 -0.418 -0.367938564026647 -0.70865967542928 -0.6685 -0.7359 3063553 Maybridge4_002088 Nc1ncnc2nc(ncc12)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O21 compound treatment 0.0 0.129 0.18 0.2 0.271 0.54 0.184 0.234061435973353 0.450808687820434 0.6759 0.9335 3178145 Maybridge4_002089 CC(=O)N1N=C2C(CCc3ccccc23)C1c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O22 compound treatment -0.042 0.0874 0.12 -0.472 -0.401 -0.79 -0.388 -0.337938564026647 -0.650878859984943 -0.7607 -0.7372 3063554 Maybridge4_002090 Cc1cc(=O)n2ncnc2n1CC(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O23 mock treatment 0.101 0.23 0.33 -0.053 0.0184 0.04 -0.014 0.036061435973353 0.069455305887804 0.2503 0.7429 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 O24 mock treatment 0.1 0.229 0.33 -0.033 0.0384 0.08 -0.173 -0.122938564026647 -0.236783015967187 0.0954 0.2327 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P01 compound treatment -0.239 -0.11 -0.16 -0.31 -0.239 -0.47 -0.175 -0.124938564026647 -0.240635070330143 -0.5008 -0.9083 1504248 Maybridge4_002091 C1Cc2ccccc2N1c3ncnc4n(ncc34)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P02 compound treatment -1.408 -1.28 -1.82 -1.473 -1.4 -2.77 -1.145 -1.09493856402665 -2.10888143636374 -3.8649 -0.9845 1485949 Maybridge4_002092 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c3ccc(cc3)C(C)(C)C)c4ccccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P03 compound treatment -0.289 -0.16 -0.23 -0.618 -0.547 -1.08 -0.426 -0.375938564026647 -0.724067892881104 -1.1721 -0.8885 3063615 Maybridge4_002093 O=C/1NNC(=N\C1=C/c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P04 compound treatment 2.158 2.29 2.1 -0.371 -0.3 -0.59 0.051 0.101061435973353 0.19464707268387 0.9852 0.4491 3178146 Maybridge4_002094 Cn1cnnc1Sc2cc(C#N)c(C#N)cc2Sc3nncn3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P05 compound treatment -0.323 -0.194 -0.28 0.664 0.735 1.45 0.468 0.518061435973353 0.997800407360167 1.2556 0.7041 3063618 Maybridge4_002095 CCNc1nc(SCc2ccc(Cl)cc2)nc3sc4CN(C)CCc4c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P06 compound treatment 0.246 0.375 0.53 -0.106 -0.0346 -0.07 -0.038 0.012061435973353 0.0232306535323336 0.2822 0.5239 3178147 Maybridge4_002096 Cn1cnc(c1C#N)n2oo2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P07 compound treatment -0.1 0.0294 0.04 -0.234 -0.163 -0.32 0.035 0.085061435973353 0.163830637780223 -0.0666 -0.1835 1405262 Maybridge4_002097 O=C(NCc1ccccc1)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P08 compound treatment -0.057 0.0724 0.1 -0.737 -0.666 -1.31 -0.412 -0.361938564026647 -0.697103512340413 -1.1018 -0.7389 1585718 Maybridge4_002098 CCOC(=O)C(C)Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P09 compound treatment 0.576 0.705 1.0 -0.8 -0.729 -1.44 -0.282 -0.231938564026647 -0.446719978748282 -0.5094 -0.2815 3178148 Maybridge4_002099 COC(=O)/C(=C/C(=O)c1c(F)c(F)c(OC)c(F)c1F)/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P10 compound treatment 0.638 0.767 1.09 -0.337 -0.266 -0.52 0.167 0.217061435973353 0.41806622573531 0.5686 0.444 1497616 Maybridge4_002100 O=C(Cc1ccccc1)NC2CCN(CC2)C(=O)C3CCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P11 compound treatment 0.585 0.714 1.02 0.229 0.3 0.59 0.269 0.319061435973353 0.614520998246059 1.2837 0.9673 3178149 Maybridge4_002101 O=c1ccc2CCCCc2n1CCC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P12 compound treatment 0.414 0.543 0.77 0.028 0.0994 0.2 0.106 0.156061435973353 0.300578567665156 0.733 0.8603 1054556 Maybridge4_002102 Cc1ccc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P13 compound treatment 0.256 0.385 0.55 0.232 0.303 0.6 0.155 0.205061435973353 0.394953899557574 0.8903 0.9861 1043550 Maybridge4_002103 OC1CCN(Cc2ccccc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P14 compound treatment -0.565 -0.436 -0.62 -0.462 -0.391 -0.77 -0.415 -0.364938564026647 -0.702881593884847 -1.2086 -0.9961 1240290 Maybridge4_002104 CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P15 compound treatment 0.208 0.337 0.48 -0.649 -0.578 -1.14 -0.093 -0.042938564026647 -0.0827008414489526 -0.4292 -0.3461 3063648 Maybridge4_002105 CC(=O)NC(NCc1ccccc1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P16 compound treatment -0.269 -0.14 -0.2 -0.113 -0.0416 -0.08 -0.295 -0.244938564026647 -0.471758332107495 -0.4343 -0.8379 3178234 Maybridge4_002106 CC(C)[C@H]1COC(=N1)c2cccc(n2)C3=N[C@H](CO3)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P17 compound treatment 0.667 0.796 1.13 0.612 0.683 1.35 0.957 1.00706143597335 1.93962769910288 2.5527 0.9742 3063650 Maybridge4_002107 CC(O)/C=C/c1cccc[n+]1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P18 compound treatment 0.048 0.177 0.25 -0.286 -0.215 -0.42 -0.234 -0.183938564026647 -0.354270674037341 -0.3035 -0.4999 3178235 Maybridge4_002108 CCOC(=O)C1=C(C)N(C(=O)Oc2ccccc2)C(=NC1c3ccccc3)SC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P19 compound treatment 0.619 0.748 1.06 0.098 0.169 0.33 0.341 0.391061435973353 0.75319495531247 1.2424 0.9231 3063651 Maybridge4_002109 CN1C(=O)/C(=C\Nc2ccc(Cl)cc2)/C(=O)c3c1n(C)c(=O)n(C)c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P20 compound treatment -0.717 -0.588 -0.84 -0.386 -0.315 -0.62 -0.556 -0.505938564026647 -0.974451426473235 -1.4035 -0.9843 1466385 Maybridge4_002110 COC(=O)C1=C(C)NC(=C(C1C)C(=O)OC)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P21 compound treatment 0.321 0.45 0.64 -1.067 -0.996 -1.97 -0.012 0.038061435973353 0.0733073602507598 -0.7229 -0.3494 1646281 Maybridge4_002111 COc1cccc(c1)c2ncc(o2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P22 compound treatment -0.687 -0.558 -0.79 -0.202 -0.131 -0.26 -0.351 -0.300938564026647 -0.579615854270259 -0.9412 -0.927 1592521 Maybridge4_002112 O=C(Nc1ccccc1)N(Cc2ccccc2)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P23 mock treatment 0.641 0.77 1.1 0.179 0.25 0.49 0.087 0.137061435973353 0.263984051217075 1.0703 0.8699 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2054 P24 mock treatment 0.359 0.488 0.69 0.056 0.127 0.25 0.095 0.145061435973353 0.279392268668899 0.7075 0.8959 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A01 compound treatment -1.419 -1.29 -1.83 -0.79 -0.719 -1.42 -0.857 -0.806938564026647 -1.55418560809809 -2.775 -0.9942 3178236 Maybridge4_002113 CCOC(=O)c1c(C)n[nH]c1/N=C/c2ccc(OC)c(OC)c2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A02 compound treatment -0.605 -0.476 -0.68 -0.525 -0.454 -0.9 -0.128 -0.077938564026647 -0.15011179280068 -0.9941 -0.8781 3178237 Maybridge4_002114 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A03 compound treatment -0.313 -0.184 -0.26 0.024 0.0954 0.19 -0.176 -0.125938564026647 -0.242561097511621 -0.1819 -0.4514 1739670 Maybridge4_002115 O=C(C(C(=O)N1CCCCC1)C2(CC3CC4CC(C3)C2)C4)N5CCCCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A04 compound treatment -0.287 -0.158 -0.22 0.075 0.146 0.29 -0.386 -0.335938564026647 -0.647026805621987 -0.336 -0.452 3178238 Maybridge4_002116 CSc1c(C#N)c(nn1C)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A05 compound treatment -0.46 -0.331 -0.47 -0.017 0.0544 0.11 -0.028 0.022061435973353 0.0424909253471129 -0.1848 -0.3818 3063681 Maybridge4_002117 CN(C)c1nc(O)nc(n1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A06 compound treatment -0.483 -0.354 -0.5 -0.102 -0.0306 -0.06 -0.155 -0.104938564026647 -0.202114526700584 -0.4418 -0.8103 3178239 Maybridge4_002118 CN1c2ccccc2C(=O)/C(=C\Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)/S1(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A07 compound treatment 0.786 0.915 1.3 0.773 0.844 1.67 0.623 0.673061435973353 1.29633462048925 2.4625 0.9926 1532269 Maybridge4_002119 COc1cc2CCN=C(c3ccccc3NC(=O)c4cccc(Cl)c4)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A08 compound treatment -0.2 -0.0706 -0.1 -0.394 -0.323 -0.64 -0.25 -0.199938564026647 -0.385087108940988 -0.648 -0.8628 1424615 Maybridge4_002120 CCCS(=O)(=O)C1=C(N)OC(=C(C#N)C1c2ccc(Cl)cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A09 compound treatment -0.05 0.0794 0.11 -0.367 -0.296 -0.58 -0.156 -0.105938564026647 -0.204040553882062 -0.3896 -0.6199 1227957 Maybridge4_002121 Cc1cc(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3)n(C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A10 compound treatment -0.695 -0.566 -0.8 -0.203 -0.132 -0.26 -0.641 -0.590938564026647 -1.13816373689886 -1.2714 -0.8969 3063685 Maybridge4_002122 CS/C(=C(/C#N)\C(=O)c1ccc(Cl)cc1)/NCC2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A11 compound treatment 0.322 0.451 0.64 -0.759 -0.688 -1.36 -0.562 -0.511938564026647 -0.986007589562103 -0.9825 -0.5469 1505422 Maybridge4_002123 O=C(Nc1cc(nn1c2ccccc2)C3CC3)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A12 compound treatment 0.205 0.334 0.48 -0.565 -0.494 -0.97 -0.549 -0.498938564026647 -0.96096923620289 -0.843 -0.5818 3063686 Maybridge4_002124 CC(C)S(=O)(=O)/C(=C/Nc1ncccn1)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A13 compound treatment -1.671 -1.54 -2.19 -1.031 -0.96 -1.89 -0.837 -0.786938564026647 -1.51566506446853 -3.2344 -0.9892 1730851 Maybridge4_002125 Cc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A14 compound treatment -0.435 -0.306 -0.43 -0.25 -0.179 -0.35 0.156 0.206061435973353 0.396879926739052 -0.2253 -0.3284 3063688 Maybridge4_002126 Cn1ccnc1S(=O)(=O)/C(=C/c2ccc3OCOc3c2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A15 compound treatment 0.239 0.368 0.52 0.516 0.587 1.16 0.274 0.324061435973353 0.624151134153448 1.3324 0.94 1337308 Maybridge4_002127 CCOC(=O)c1cnc2n(C)nc(C3CC3)c2c1N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A16 compound treatment -1.25 -1.12 -1.59 -1.469 -1.4 -2.76 -0.143 -0.092938564026647 -0.179002200522849 -2.6164 -0.8198 3063690 Maybridge4_002128 Cc1cc(nc2c(Br)c(nn12)C(C)(C)C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A17 compound treatment -0.212 -0.0826 -0.12 -0.118 -0.0466 -0.09 -1.0 -0.949938564026647 -1.82960749504944 -1.1772 -0.6413 1574781 Maybridge4_002129 COc1c(Cl)scc1NC(=O)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A18 compound treatment -0.441 -0.312 -0.44 -0.298 -0.227 -0.45 -0.41 -0.359938564026647 -0.693251457977457 -0.9143 -0.9763 3063692 Maybridge4_002130 CSC(=C(C#N)C(=O)c1cccc(c1)C(F)(F)F)SC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A19 compound treatment -0.119 0.0104 0.01 -0.267 -0.196 -0.39 -0.072 -0.021938564026647 -0.0422542706379161 -0.2388 -0.6143 3178240 Maybridge4_002131 Clc1ccccc1C(=O)C(=C2SCCCS2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A20 compound treatment 0.033 0.162 0.23 -0.606 -0.535 -1.06 -0.141 -0.090938564026647 -0.175150146159893 -0.5772 -0.5273 1150123 Maybridge4_002132 CC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A21 compound treatment 0.275 0.404 0.57 0.053 0.124 0.25 0.038 0.088061435973353 0.169608719324656 0.5717 0.8825 3063728 Maybridge4_002133 COc1cccc(c1)c2nc(N)nc(SC)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A22 compound treatment -0.509 -0.38 -0.54 -0.652 -0.581 -1.15 -1.5 -1.44993856402665 -2.7926210857884 -2.5857 -0.8432 3178241 Maybridge4_002134 Fc1ccc(N/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A23 mock treatment -0.613 -0.484 -0.69 0.067 0.138 0.27 0.324 0.374061435973353 0.720452493227345 0.1768 0.1712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 A24 mock treatment 0.173 0.302 0.43 -0.35 -0.279 -0.55 0.205 0.255061435973353 0.491255258631471 0.2143 0.251 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B01 compound treatment -2.452 -2.32 -3.3 -3.087 -3.02 -5.95 -1.739 -1.68893856402665 -3.25294158216163 -7.2223 -0.9571 3178242 Maybridge4_002135 FC(F)(F)c1cc(CN/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B02 compound treatment -0.771 -0.642 -0.91 -0.306 -0.235 -0.46 -0.114 -0.063938564026647 -0.123147412259989 -0.8652 -0.8396 3063731 Maybridge4_002136 COC(=O)c1ccc2C(=O)/C(=C/Nc3ccc(Cl)cc3)/S(=O)(=O)N(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B03 compound treatment -1.113 -0.984 -1.4 -0.542 -0.471 -0.93 -0.141 -0.090938564026647 -0.175150146159893 -1.445 -0.856 3178243 Maybridge4_002137 CSc1sc(/C(=N\O)/C)c2CC(C)(C)C/C(=N/O)/c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B04 compound treatment -0.215 -0.0856 -0.12 -0.25 -0.179 -0.35 -0.161 -0.110938564026647 -0.213670689789452 -0.3972 -0.924 3063732 Maybridge4_002138 COC(=O)c1sc(SC)c(c1C)c2ccon2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B05 compound treatment -1.016 -0.887 -1.26 -0.717 -0.646 -1.27 -0.697 -0.646938564026647 -1.24602125906162 -2.1831 -1.0 3178244 Maybridge4_002139 Clc1ccc(Sc2ccccc2CN/C(=C(\N=C\c3cccs3)/C#N)/C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B06 compound treatment -0.2 -0.0706 -0.1 -1.408 -1.34 -2.64 -2.097 -2.04693856402665 -3.94245931313073 -3.8578 -0.813 3063733 Maybridge4_002140 CN(C)/C=C/C(=O)c1ccc2OC(C)(C)CCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B07 compound treatment -0.39 -0.261 -0.37 0.155 0.226 0.45 0.091 0.141061435973353 0.271688159942987 0.2011 0.3137 1330787 Maybridge4_002141 Clc1ccc(cc1)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B08 compound treatment 0.2 0.329 0.47 -0.07 0.00144 0.0 0.221 0.271061435973353 0.522071693535118 0.5735 0.8176 3063734 Maybridge4_002142 Clc1ccc(cc1)S(=O)(=O)C(=C2SCCCCS2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B09 compound treatment 0.492 0.621 0.88 -0.167 -0.0956 -0.19 -0.274 -0.223938564026647 -0.431311761296458 0.1521 0.152 1191188 Maybridge4_002143 CSc1scc2CCc3cn(nc3-c12)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B10 compound treatment -0.155 -0.0256 -0.04 -0.143 -0.0716 -0.14 -0.512 -0.461938564026647 -0.889706230488206 -0.6163 -0.6835 1483249 Maybridge4_002144 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B11 compound treatment -0.174 -0.0446 -0.06 -1.078 -1.01 -1.99 -1.443 -1.39293856402665 -2.68283753644416 -2.733 -0.8184 3178245 Maybridge4_002145 Cc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B12 compound treatment -1.092 -0.963 -1.37 0.079 0.15 0.3 0.181 0.231061435973353 0.445030606276001 -0.3617 -0.2462 3063735 Maybridge4_002146 FC(F)(F)c1cc(n2ncc(C(=O)NC(=S)Nc3ccccc3Cl)c2n1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B13 compound treatment -0.75 -0.621 -0.88 0.061 0.132 0.26 0.198 0.248061435973353 0.477773068361126 -0.0826 -0.0797 1629969 Maybridge4_002147 CCOC(=O)c1sc(SC)c-2c1CCc3cnc(SC)nc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B14 compound treatment -1.342 -1.21 -1.72 -0.197 -0.126 -0.25 -0.268 -0.217938564026647 -0.419755598207591 -1.3809 -0.7707 3178246 Maybridge4_002148 CC(C)CSc1nnc(CSCc2nc(cs2)c3ccc(Cl)cc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B15 compound treatment -1.392 -1.26 -1.8 -1.262 -1.19 -2.35 -1.141 -1.09093856402665 -2.10117732763783 -3.6068 -0.9941 1122221 Maybridge4_002149 Clc1ccc(cc1)C2CC(=CC(=S)S2)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B16 compound treatment -0.681 -0.552 -0.78 -1.905 -1.83 -3.62 -0.466 -0.415938564026647 -0.801108980140221 -3.0055 -0.793 3063769 Maybridge4_002150 NNC(=O)c1ccc(CSc2ccc(cn2)C(F)(F)F)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B17 compound treatment -0.564 -0.435 -0.62 -1.922 -1.85 -3.65 -1.5 -1.44993856402665 -2.7926210857884 -4.0787 -0.879 3178247 Maybridge4_002151 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B18 compound treatment -0.04 0.0894 0.13 0.478 0.549 1.08 0.363 0.413061435973353 0.795567553304984 1.1591 0.8577 3063773 Maybridge4_002152 CC(C)(C)SC(=O)c1cccnc1SCCS(=O)(=O)c2cccc(c2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B19 compound treatment 0.0 0.129 0.18 -0.926 -0.855 -1.69 -0.877 -0.826938564026647 -1.59270615172765 -1.7875 -0.768 3178248 Maybridge4_002153 Cc1csc2sc(/C=N/Cc3cccs3)c(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B20 compound treatment -0.057 0.0724 0.1 -0.246 -0.175 -0.34 -0.343 -0.292938564026647 -0.564207636818436 -0.4653 -0.6954 1206852 Maybridge4_002154 CCOC(=O)c1cnc2n(C)nc(C)c2c1Sc3nnc(SC)s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B21 compound treatment 0.207 0.336 0.48 -0.391 -0.32 -0.63 -0.803 -0.752938564026647 -1.45018014029828 -0.9254 -0.5601 3178249 Maybridge4_002155 CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c3CCC=Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B22 compound treatment 0.157 0.286 0.41 -0.042 0.0294 0.06 0.202 0.252061435973353 0.485477177087037 0.549 0.8627 3178341 Maybridge4_002156 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B23 mock treatment 0.381 0.51 0.73 -0.031 0.0404 0.08 0.147 0.197061435973353 0.379545682105751 0.6842 0.8315 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 B24 mock treatment 0.293 0.422 0.6 0.125 0.196 0.39 -0.014 0.036061435973353 0.069455305887804 0.6108 0.8503 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C01 compound treatment -0.679 -0.55 -0.78 -1.208 -1.14 -2.24 -0.203 -0.152938564026647 -0.294563831411525 -1.9169 -0.8005 3063777 Maybridge4_002157 CCN(CC)C(=S)NC(=S)c1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C02 compound treatment -0.218 -0.0886 -0.13 -0.225 -0.154 -0.3 0.029 0.079061435973353 0.152274474691355 -0.1599 -0.4417 3178342 Maybridge4_002158 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(C)cc(C)n2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C03 compound treatment -0.661 -0.532 -0.76 0.071 0.142 0.28 0.015 0.065061435973353 0.125310094150664 -0.2016 -0.2471 1199477 Maybridge4_002159 CN(C1CCS(=O)(=O)C1)C(=O)COc2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C04 compound treatment -1.109 -0.98 -1.39 -0.048 0.0234 0.05 -0.316 -0.265938564026647 -0.512204902918531 -1.0731 -0.7228 3178343 Maybridge4_002160 CSc1c(C#N)c(nn1C(=O)C(C)(C)C)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C05 compound treatment -0.638 -0.509 -0.72 -0.246 -0.175 -0.34 -0.406 -0.355938564026647 -0.685547349251545 -1.0123 -0.9601 3063778 Maybridge4_002161 CS/C(=N/C(=N)Nc1ccc(Cl)cc1)/N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C06 compound treatment -0.082 0.0474 0.07 0.238 0.309 0.61 0.365 0.415061435973353 0.79941960766794 0.8532 0.8461 3178344 Maybridge4_002162 Cc1c(csc1C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C07 compound treatment 0.156 0.285 0.41 0.092 0.163 0.32 -0.093 -0.042938564026647 -0.0827008414489526 0.3729 0.7102 1368486 Maybridge4_002163 OC(=O)c1ccccc1SCC(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C08 compound treatment -0.512 -0.383 -0.54 -0.945 -0.874 -1.72 -0.489 -0.438938564026647 -0.845407605314214 -1.798 -0.9006 3178345 Maybridge4_002164 CNC(=S)Nc1cscc1S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C09 compound treatment -0.304 -0.175 -0.25 -2.112 -2.04 -4.03 -1.881 -1.83093856402665 -3.52643744193149 -4.5055 -0.8406 3063810 Maybridge4_002165 Clc1cccc(NC(=S)NC(C#N)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C10 compound treatment 0.844 0.973 1.38 1.035 1.11 2.15 0.514 0.564061435973353 1.08639765770815 2.6668 0.9603 3178346 Maybridge4_002166 CN(C)/C=C/C(=O)c1cnc2cc(C)nn2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C11 compound treatment -0.458 -0.329 -0.47 -0.526 -0.455 -0.9 -0.458 -0.407938564026647 -0.785700762688398 -1.2415 -0.9691 1175106 Maybridge4_002167 Cc1c(nnc2cc(nn12)c3ccccc3)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C12 compound treatment 0.016 0.145 0.21 0.473 0.544 1.08 1.055 1.10506143597335 2.07369199715178 1.9373 0.8262 3178347 Maybridge4_002168 COC(=O)c1scc(c1n2cccc2)S(=O)(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C13 compound treatment -1.692 -1.56 -2.22 -1.319 -1.25 -2.46 -0.551 -0.500938564026647 -0.964821290565845 -3.2619 -0.9442 1474680 Maybridge4_002169 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C14 compound treatment -0.404 -0.275 -0.39 0.082 0.153 0.3 0.074 0.124061435973353 0.238945697857862 0.0875 0.1594 1123050 Maybridge4_002170 CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C15 compound treatment 0.293 0.422 0.6 0.227 0.298 0.59 0.397 0.447061435973353 0.861052477475234 1.1841 0.9836 1443948 Maybridge4_002171 O=c1c2CSCc2[nH]c3cc(nn13)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C16 compound treatment 0.094 0.223 0.32 0.891 0.962 1.9 1.172 1.22206143597335 2.17475917091051 2.5362 0.8729 3063812 Maybridge4_002172 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C17 compound treatment -0.5 -0.371 -0.53 0.22 0.291 0.58 0.033 0.083061435973353 0.159978583417267 0.1204 0.1512 1153510 Maybridge4_002173 COc1c(Cl)scc1NC(=O)N2CC(C)OC(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C18 compound treatment -0.085 0.0444 0.06 -0.5 -0.429 -0.85 -0.269 -0.218938564026647 -0.421681625389069 -0.6956 -0.7341 3063813 Maybridge4_002174 CS(=O)(=O)c1scc(c1C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C19 compound treatment -0.373 -0.244 -0.35 0.292 0.363 0.72 0.417 0.467061435973353 0.899573021104793 0.7337 0.6106 3178348 Maybridge4_002175 CC(C)(C)c1ccc(cc1)c2n[nH]c(c2C#N)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C20 compound treatment -0.095 0.0344 0.05 -0.228 -0.157 -0.31 -0.017 0.033061435973353 0.0636772243433702 -0.1135 -0.3553 3178349 Maybridge4_002176 Cn1nc(cc1C(F)(F)F)c2ccc(s2)C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C21 compound treatment -0.582 -0.453 -0.64 -0.653 -0.582 -1.15 -0.589 -0.538938564026647 -1.03801032346201 -1.6338 -0.9746 3063814 Maybridge4_002177 COC(=O)c1sc(SC)c(C#N)c1c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C22 compound treatment 0.519 0.648 0.92 0.714 0.785 1.55 0.382 0.432061435973353 0.832162069753065 1.9081 0.9604 3178350 Maybridge4_002178 CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C23 mock treatment 0.227 0.356 0.51 -0.227 -0.156 -0.31 -0.209 -0.158938564026647 -0.306119994500393 -0.0615 -0.0922 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 C24 mock treatment 0.733 0.862 1.23 -0.16 -0.0886 -0.17 -0.141 -0.090938564026647 -0.175150146159893 0.5058 0.4044 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D01 compound treatment -0.098 0.0314 0.04 0.115 0.186 0.37 0.036 0.086061435973353 0.165756664961701 0.334 0.8223 3063815 Maybridge4_002179 Nc1nc(ncc1S(=O)(=O)Cc2ccco2)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D02 compound treatment -0.469 -0.34 -0.48 -0.112 -0.0406 -0.08 -0.018 0.032061435973353 0.0617511971618922 -0.2893 -0.5866 3063818 Maybridge4_002180 CC(C)(C)S(=O)(=O)c1cnc(nc1N)c2cnccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D03 compound treatment -0.857 -0.728 -1.03 -1.103 -1.03 -2.04 -0.982 -0.931938564026647 -1.79493900578283 -2.8095 -0.967 3178351 Maybridge4_002181 Cc1csc2sc(COC(=O)Nc3ccccc3)c(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D04 compound treatment -1.66 -1.53 -2.18 -2.054 -1.98 -3.91 -1.516 -1.46593856402665 -2.82343752069205 -5.1466 -0.9721 3178352 Maybridge4_002182 CSc1sc(C(=O)NN)c2CCCC3(SCCS3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D05 compound treatment -0.421 -0.292 -0.41 0.451 0.522 1.03 -0.37 -0.319938564026647 -0.61621037071834 4.0E-4 4.0E-4 3063851 Maybridge4_002183 CCOC(=O)c1sc(c2/C(=N\O)/CC(C)(C)Cc12)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D06 compound treatment 0.341 0.47 0.67 0.752 0.823 1.63 0.338 0.388061435973353 0.747416873768036 1.7564 0.9194 3178353 Maybridge4_002184 Cc1ccc(cc1)S(=O)(=O)CCSc2sc(C#N)c3CC(C)(C)CC(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D07 compound treatment -0.177 -0.0476 -0.07 -0.644 -0.573 -1.13 -0.231 -0.180938564026647 -0.348492592492907 -0.893 -0.7536 1145089 Maybridge4_002185 CSc1sc(C(=O)O)c-2c1S(=O)(=O)N(C)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D08 compound treatment -0.481 -0.352 -0.5 -0.247 -0.176 -0.35 -0.181 -0.130938564026647 -0.252191233419011 -0.6344 -0.9633 3178354 Maybridge4_002186 FC(F)(F)c1cccc(c1)C(=O)C(=C2SCCCCS2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D09 compound treatment 0.673 0.802 1.14 0.14 0.211 0.42 0.028 0.078061435973353 0.150348447509877 0.9865 0.8059 3063853 Maybridge4_002187 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)NCc3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D10 compound treatment -1.08 -0.951 -1.35 -0.758 -0.687 -1.36 -0.231 -0.180938564026647 -0.348492592492907 -1.7642 -0.9067 3178355 Maybridge4_002188 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)S(=O)(=O)c4cccc(c4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D11 compound treatment 0.548 0.677 0.96 -0.725 -0.654 -1.29 -0.333 -0.282938564026647 -0.544947365003656 -0.5036 -0.2963 3063854 Maybridge4_002189 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)Sc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D12 compound treatment 0.108 0.237 0.34 0.23 0.301 0.6 -0.267 -0.216938564026647 -0.417829571026113 0.2973 0.3708 3178356 Maybridge4_002190 CC1(C)CCc2cc(ccc2O1)c3ccnc(S)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D13 compound treatment -0.927 -0.798 -1.13 -0.136 -0.0646 -0.13 -0.327 -0.276938564026647 -0.533391201914789 -1.0363 -0.8227 3063856 Maybridge4_002191 Cc1c(Br)sc2sc(c(C)c12)c3nn(C)cc3Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D14 compound treatment -0.737 -0.608 -0.86 -2.322 -2.25 -4.44 -1.15 -1.09993856402665 -2.11851157227113 -4.2875 -0.8578 3178357 Maybridge4_002192 CSc1sc(Cl)c2CC(C)(C)C/C(=N/O)/c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D15 compound treatment -0.565 -0.436 -0.62 -0.573 -0.502 -0.99 -0.491 -0.440938564026647 -0.849259659677169 -1.4197 -0.983 3178358 Maybridge4_002193 CC(C)NC(=O)CSc1nccc(n1)c2sc3sc(Br)c(C)c3c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D16 compound treatment -1.558 -1.43 -2.03 -0.348 -0.277 -0.55 -0.064 -0.013938564026647 -0.0268460531860926 -1.5035 -0.7148 3063857 Maybridge4_002194 Sc1nccc(n1)c2ccc3OCCc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D17 compound treatment -0.385 -0.256 -0.36 1.234 1.31 2.32 -0.319 -0.268938564026647 -0.517982984462965 0.8296 0.3452 3063858 Maybridge4_002195 COc1ccc(CSc2nnc(CSc3cccs3)n2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D18 compound treatment 0.431 0.56 0.8 0.481 0.552 1.09 -0.338 -0.287938564026647 -0.554577500911046 0.7696 0.527 3178359 Maybridge4_002196 CS(=O)(=NS(=O)(=O)c1cccc2nsnc12)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D19 compound treatment 0.013 0.142 0.2 0.011 0.0824 0.16 -0.108 -0.057938564026647 -0.111591249171122 0.1464 0.518 3178360 Maybridge4_002197 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCCS(=O)(=O)c4ccccc4)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D20 compound treatment -1.6 -1.47 -2.09 -2.805 -2.73 -5.4 -1.831 -1.78093856402665 -3.4301360828576 -6.3038 -0.9369 3063859 Maybridge4_002198 CC(C)C1Oc2c(cccc2N(CC(=O)O)C1=S)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D21 compound treatment 1.31 1.44 1.78 0.048 0.119 0.24 -0.112 -0.061938564026647 -0.119295357897033 1.0965 0.6084 3178361 Maybridge4_002199 CSc1nc(nc(c1C#N)c2ccc(OC(F)(F)F)cc2)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D22 compound treatment -0.862 -0.733 -1.04 -0.776 -0.705 -1.39 -0.233 -0.182938564026647 -0.352344646855863 -1.608 -0.9068 1139728 Maybridge4_002200 CCOC(=O)CC1Sc2ccccc2N=C1SCCS(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D23 mock treatment 0.273 0.402 0.57 0.135 0.206 0.41 0.119 0.169061435973353 0.325616921024369 0.7537 0.9734 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 D24 mock treatment -0.193 -0.0636 -0.09 -0.081 -0.00956 -0.02 -0.283 -0.232938564026647 -0.44864600592976 -0.3221 -0.7032 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E01 compound treatment -1.042 -0.913 -1.3 -0.286 -0.215 -0.42 -0.646 -0.595938564026647 -1.14779387280625 -1.6564 -0.9288 1149948 Maybridge4_002201 Clc1ccc(cc1)N2CCN(CC2)C3=Cc4ccccc4C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E02 compound treatment -0.361 -0.232 -0.33 0.095 0.166 0.33 0.185 0.235061435973353 0.452734715001912 0.261 0.4021 3178362 Maybridge4_002202 COC(=O)c1ccccc1S(=O)(=O)/C(=C/Nc2nc(SC)nc(n2)C3CC3)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E03 compound treatment -1.458 -1.33 -1.89 -0.652 -0.581 -1.15 -1.06 -1.00993856402665 -1.94516912593811 -2.8755 -0.9768 3063320 Maybridge4_002203 CSc1nc(N)n(n1)c2cc(Cl)cc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E04 compound treatment -0.551 -0.422 -0.6 -0.113 -0.0416 -0.08 -0.011 0.039061435973353 0.0752333874322378 -0.35 -0.5741 3178363 Maybridge4_002204 CSc1n[nH]c(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E05 compound treatment 0.51 0.639 0.91 0.101 0.172 0.34 -0.177 -0.126938564026647 -0.244487124693099 0.5803 0.5797 1032087 Maybridge4_002205 Oc1ccnc(SCc2ccc(Cl)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E06 compound treatment -0.233 -0.104 -0.15 0.015 0.0864 0.17 0.024 0.074061435973353 0.142644338783965 0.0959 0.3593 3178364 Maybridge4_002206 CN1c2ccccc2C(=O)/C(=C\Nc3ncccn3)/S1(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E07 compound treatment -0.552 -0.423 -0.6 -0.319 -0.248 -0.49 -0.471 -0.420938564026647 -0.810739116047611 -1.0972 -0.9785 3063324 Maybridge4_002207 CCN(CCC#N)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E08 compound treatment 0.029 0.158 0.23 -0.593 -0.522 -1.03 -0.537 -0.486938564026647 -0.937856910025154 -1.006 -0.713 1520456 Maybridge4_002208 CCOC(=O)NS(=O)(=O)c1ccccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E09 compound treatment -0.074 0.0554 0.08 -0.107 -0.0356 -0.07 -0.101 -0.050938564026647 -0.0981090589007761 -0.0517 -0.3588 1248613 Maybridge4_002209 O=c1cc([nH]c2cc(nn12)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E10 compound treatment 0.02 0.149 0.21 -0.154 -0.0826 -0.16 -0.411 -0.360938564026647 -0.695177485158935 -0.3728 -0.5005 3178365 Maybridge4_002210 Cc1cccc(c1)c2n[nH]c(c2C#N)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E11 compound treatment 0.097 0.226 0.32 -0.197 -0.126 -0.25 -0.306 -0.255938564026647 -0.492944631103752 -0.2419 -0.3787 1374930 Maybridge4_002211 COc1cccc(c1)c2c(nnc3cc(nn23)c4ccccc4)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E12 compound treatment 0.244 0.373 0.53 -0.714 -0.643 -1.27 -1.0 -0.949938564026647 -1.82960749504944 -1.4823 -0.6476 1289071 Maybridge4_002212 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E13 compound treatment -1.971 -1.84 -2.62 -1.167 -1.1 -2.16 -0.707 -0.656938564026647 -1.2652815308764 -3.4911 -0.9632 1391332 Maybridge4_002213 COc1ccc(cc1)C2C(=C(N)OC(=C2C#N)C3CC3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E14 compound treatment -0.507 -0.378 -0.54 -0.062 0.00944 0.02 0.0 0.050061435973353 0.096419686428495 -0.2435 -0.4462 3063326 Maybridge4_002214 Cc1nccc(n1)c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E15 compound treatment -0.494 -0.365 -0.52 0.085 0.156 0.31 -0.291 -0.240938564026647 -0.464054223381583 -0.3889 -0.5108 3178456 Maybridge4_002215 Cn1nc(cc1N)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E16 compound treatment -0.507 -0.378 -0.54 -0.273 -0.202 -0.4 -0.2 -0.149938564026647 -0.288785749867091 -0.7065 -0.9704 1540260 Maybridge4_002216 CC(C)S(=O)(=O)c1csc(NC(=O)N2CCCCC2)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E17 compound treatment -0.384 -0.255 -0.36 -0.439 -0.368 -0.73 -1.094 -1.04393856402665 -2.01065405010836 -1.7889 -0.8251 1698879 Maybridge4_002217 Nc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E18 compound treatment -0.234 -0.105 -0.15 0.069 0.14 0.28 0.405 0.455061435973353 0.876460694927057 0.5803 0.6231 1598720 Maybridge4_002218 Clc1ccc(cc1)c2csc(S(=O)C3CCCCC3)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E19 compound treatment -0.271 -0.142 -0.2 0.021 0.0924 0.18 -0.104 -0.053938564026647 -0.10388714044521 -0.0708 -0.2435 1438402 Maybridge4_002219 O=C(c1ccccc1)c2cnc3ccccn3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E20 compound treatment -0.287 -0.158 -0.22 -0.911 -0.84 -1.66 -0.844 -0.793938564026647 -1.52914725473888 -1.9693 -0.8689 3178457 Maybridge4_002220 CN(C)c1scc(c1C#N)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E21 compound treatment 0.105 0.234 0.33 -0.14 -0.0686 -0.14 -0.024 0.026061435973353 0.0501950340730246 0.1432 0.3944 3178458 Maybridge4_002221 Cc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E22 compound treatment -0.062 0.0674 0.1 0.057 0.128 0.25 -0.936 -0.885938564026647 -1.70634175543485 -0.7834 -0.4534 1367919 Maybridge4_002222 O=S(=O)(Cc1ccco1)Cc2nc(cs2)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E23 mock treatment -0.392 -0.263 -0.37 -0.18 -0.109 -0.21 -0.183 -0.132938564026647 -0.256043287781967 -0.4871 -0.9725 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 E24 mock treatment -0.048 0.0814 0.12 -0.077 -0.00556 -0.01 -0.139 -0.088938564026647 -0.171298091796938 -0.0384 -0.1856 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F01 compound treatment -0.246 -0.117 -0.17 -0.197 -0.126 -0.25 0.062 0.112061435973353 0.215833371680127 -0.1142 -0.3103 3063357 Maybridge4_002223 CNC(=O)c1cc(C#N)c(SC)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F02 compound treatment -0.305 -0.176 -0.25 -0.111 -0.0396 -0.08 -0.153 -0.102938564026647 -0.198262472337629 -0.3037 -0.9253 3178459 Maybridge4_002224 CSc1scc2CCc3cnc(SCC(=O)c4ccc(Cl)cc4)nc3-c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F03 compound treatment -0.258 -0.129 -0.18 -0.133 -0.0616 -0.12 -0.053 -0.002938564026647 -0.00565975418983537 -0.179 -0.8151 3063358 Maybridge4_002225 Cc1csc2sc(C(=O)Oc3ccc(Cl)cc3)c(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F04 compound treatment -0.2 -0.0706 -0.1 -0.079 -0.00756 -0.01 -0.068 -0.017938564026647 -0.0345501619120044 -0.0865 -0.8071 3178460 Maybridge4_002226 Nc1nc(ncc1S(=O)(=O)c2ccc(cn2)C(F)(F)F)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F05 compound treatment -0.239 -0.11 -0.16 -1.804 -1.73 -3.42 -1.164 -1.11393856402665 -2.14547595281182 -3.3037 -0.8175 3063359 Maybridge4_002227 CSc1sc(cc1c2nc(C)cs2)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F06 compound treatment 0.234 0.363 0.52 0.192 0.263 0.52 0.16 0.210061435973353 0.404584035464964 0.8322 0.9938 3178461 Maybridge4_002228 CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccc(s2)c3cc(nn3C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F07 compound treatment 0.352 0.481 0.68 0.035 0.106 0.21 0.323 0.373061435973353 0.718526466045867 0.9314 0.9182 1693988 Maybridge4_002229 CS(=O)(=O)c1sc(C(=O)Nc2ccccc2Cl)c3CCC=Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F08 compound treatment 0.063 0.192 0.27 -0.881 -0.81 -1.6 -0.28 -0.229938564026647 -0.442867924385326 -1.0206 -0.6071 3178462 Maybridge4_002230 CSc1sc(c2ccon2)c(c1C#N)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F09 compound treatment -0.376 -0.247 -0.35 0.413 0.484 0.96 -0.139 -0.088938564026647 -0.171298091796938 0.2509 0.2429 3178463 Maybridge4_002231 CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F10 compound treatment 0.239 0.368 0.52 -0.48 -0.409 -0.81 -0.229 -0.178938564026647 -0.344640538129951 -0.3623 -0.3546 3063360 Maybridge4_002232 FC(F)(F)c1ccc(nc1)S(=O)(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F11 compound treatment 0.085 0.214 0.3 -0.288 -0.217 -0.43 -0.031 0.019061435973353 0.0367128438026791 -0.0497 -0.0944 3178464 Maybridge4_002233 CS(=O)(=NS(=O)(=O)c1ccc(s1)c2ccccn2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F12 compound treatment -0.47 -0.341 -0.48 -1.062 -0.991 -1.96 -1.618 -1.56793856402665 -3.0198922932028 -3.1523 -0.8683 3063362 Maybridge4_002234 C/S(=N\C(=O)Nc1ccc(Cl)cc1)/c2sc(Cl)c3CCCC(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F13 compound treatment -1.369 -1.24 -1.76 -0.968 -0.897 -1.77 -0.609 -0.558938564026647 -1.07653086709157 -2.6611 -0.9783 3178465 Maybridge4_002235 CS(=O)(=NC(=S)NC(=O)Oc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F14 compound treatment -0.113 0.0164 0.02 0.531 0.602 1.19 0.284 0.334061435973353 0.643411405968228 1.0717 0.7923 3063392 Maybridge4_002236 FC(F)(F)c1cnc(N2CCS(=NC(=O)c3ccccc3)CC2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F15 compound treatment -0.655 -0.526 -0.75 0.149 0.22 0.44 -0.232 -0.181938564026647 -0.350418619674385 -0.3825 -0.4099 3178466 Maybridge4_002237 Cc1c(Br)sc2sc(c(C)c12)c3ccnc(SCC(=O)NCC=C)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F16 compound treatment -0.914 -0.785 -1.12 -0.967 -0.896 -1.77 -0.463 -0.412938564026647 -0.795330898595787 -2.1242 -0.9496 1201268 Maybridge4_002238 C(Sc1nccc(n1)c2ccc3OCCc3c2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F17 compound treatment 0.025 0.154 0.22 0.157 0.228 0.45 0.016 0.066061435973353 0.127236121332142 0.4606 0.89 1378146 Maybridge4_002239 CS(=O)(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c3CCC=Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F18 compound treatment 0.185 0.314 0.45 0.21 0.281 0.56 0.348 0.398061435973353 0.766677145582815 1.0216 0.9756 1406686 Maybridge4_002240 Cc1nn(Cc2cccc(c2)C(=O)NC(=O)Nc3ccc(Cl)cc3)c(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F19 compound treatment 0.1 0.229 0.33 -0.308 -0.237 -0.47 0.131 0.181061435973353 0.348729247202104 0.12 0.1796 1721379 Maybridge4_002241 O=S(=O)(N1CCCCC1)c2ccc(s2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F20 compound treatment 0.289 0.418 0.59 0.015 0.0864 0.17 0.224 0.274061435973353 0.527849775079552 0.7467 0.918 3063394 Maybridge4_002242 CN(C)/C=C\1/C(=O)c2sccc2N(C)S1(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F21 compound treatment -0.184 -0.0546 -0.08 0.12 0.191 0.38 -0.383 -0.332938564026647 -0.641248724077553 -0.1968 -0.263 3178467 Maybridge4_002243 CSc1sc(c(C)c1c2ccnc(S)n2)c3nc(C)cs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F22 compound treatment -0.167 -0.0376 -0.05 -0.434 -0.363 -0.72 -0.63 -0.579938564026647 -1.1169774379026 -1.0891 -0.8202 1422989 Maybridge4_002244 Clc1ccc(OC(=O)c2csc(n2)C3COc4ccccc4O3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F23 mock treatment 0.279 0.408 0.58 0.088 0.159 0.31 0.041 0.091061435973353 0.17538680086909 0.6183 0.9047 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 F24 mock treatment 0.161 0.29 0.41 -0.066 0.00544 0.01 0.254 0.304061435973353 0.58563059052389 0.5827 0.8131 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G01 compound treatment -0.808 -0.679 -0.96 0.118 0.189 0.37 0.314 0.364061435973353 0.701192221412566 0.0638 0.051 1651892 Maybridge4_002245 CCCCC1(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G02 compound treatment -0.183 -0.0536 -0.08 0.25 0.321 0.63 0.075 0.125061435973353 0.24087172503934 0.4615 0.6756 3178468 Maybridge4_002246 CSc1nc(N/C=C(\C#N)/S(=O)(=O)c2ccccc2Cl)nc(n1)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G03 compound treatment -1.415 -1.29 -1.83 -1.583 -1.51 -2.98 -0.786 -0.735938564026647 -1.41743767821316 -3.5968 -0.9526 3063398 Maybridge4_002247 CC(=N)NC(=S)Nc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G04 compound treatment -1.541 -1.41 -2.01 -1.381 -1.31 -2.59 -1.217 -1.16693856402665 -2.24755539343015 -3.9492 -0.9946 3178469 Maybridge4_002248 CSc1n[nH]c(NC(=O)Nc2ccccc2)c1S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G05 compound treatment -0.567 -0.438 -0.62 0.481 0.552 1.09 -0.367 -0.316938564026647 -0.610432289173906 -0.0819 -0.0586 3063400 Maybridge4_002249 CN(C)C(=O)Oc1ccnc(SCc2c(F)cccc2Cl)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G06 compound treatment 0.024 0.153 0.22 -0.37 -0.299 -0.59 -0.52 -0.469938564026647 -0.905114447940029 -0.737 -0.6688 3178470 Maybridge4_002250 COc1ccc(cc1)c2n[nH]c(SC)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G07 compound treatment -0.044 0.0854 0.12 -0.403 -0.332 -0.65 -0.494 -0.443938564026647 -0.855037741221603 -0.8015 -0.7396 3063401 Maybridge4_002251 Cc1ccc(COc2ccc(I)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G08 compound treatment -0.063 0.0664 0.09 -0.1 -0.0286 -0.06 0.279 0.329061435973353 0.633781270060838 0.3879 0.603 3178471 Maybridge4_002252 CSc1sc(C(=O)Nc2cccc(Cl)c2)c(c1C#N)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G09 compound treatment -0.032 0.0974 0.14 -0.033 0.0384 0.08 -0.414 -0.363938564026647 -0.700955566703369 -0.2809 -0.391 1687124 Maybridge4_002253 CCN(CCS(=O)(=O)c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G10 compound treatment 0.543 0.672 0.96 -0.462 -0.391 -0.77 -0.409 -0.358938564026647 -0.691325430795979 -0.2924 -0.2075 3178472 Maybridge4_002254 COC(=O)c1scc(c1N)S(=O)(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G11 compound treatment 0.017 0.146 0.21 -0.351 -0.28 -0.55 -0.173 -0.122938564026647 -0.236783015967187 -0.3352 -0.5273 1226475 Maybridge4_002255 NC(=O)c1nnc2cc(nn2c1N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G12 compound treatment 0.011 0.14 0.2 -0.431 -0.36 -0.71 -0.359 -0.308938564026647 -0.595024071722082 -0.6382 -0.6735 1452741 Maybridge4_002256 Clc1ccc(cc1)S(=O)(=O)CCSc2ccccc2NC(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G13 compound treatment -0.444 -0.315 -0.45 0.659 0.73 1.44 0.203 0.253061435973353 0.487403204268515 0.8559 0.5394 3063431 Maybridge4_002257 Fc1cccc(Cl)c1CN/C(=C(\N=C\c2cccs2)/C#N)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G14 compound treatment -0.236 -0.107 -0.15 -0.149 -0.0776 -0.15 0.068 0.118061435973353 0.227389534768994 -0.0446 -0.1425 3178473 Maybridge4_002258 Clc1cccc(Cl)c1CSc2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G15 compound treatment 0.357 0.486 0.69 0.433 0.504 1.0 0.468 0.518061435973353 0.997800407360167 1.5504 0.9873 3178474 Maybridge4_002259 COc1ccc(/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G16 compound treatment -0.667 -0.538 -0.76 -0.317 -0.246 -0.48 -0.323 -0.272938564026647 -0.525687093188877 -1.0247 -0.979 1133071 Maybridge4_002260 CNC(=O)Nc1ccccc1NC2=C(CSC2)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G17 compound treatment -0.261 -0.132 -0.19 0.644 0.715 1.41 -0.125 -0.074938564026647 -0.144333711256246 0.6242 0.4358 3178475 Maybridge4_002261 CC1CN(CC(C)O1)/C=C(\C#N)/S(=O)(=O)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G18 compound treatment -0.017 0.112 0.16 0.0 0.0714 0.14 0.014 0.064061435973353 0.123384066969186 0.2449 0.9945 3063432 Maybridge4_002262 CS(=O)(=NS(=O)(=O)c1ccccc1C(F)(F)F)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G19 compound treatment -0.079 0.0504 0.07 0.238 0.309 0.61 0.054 0.104061435973353 0.200425154228303 0.5098 0.788 1259331 Maybridge4_002263 COCc1cc(O)nc2n(C)nc(c3cccs3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G20 compound treatment -0.238 -0.109 -0.15 -0.253 -0.182 -0.36 -0.053 -0.002938564026647 -0.00565975418983537 -0.2994 -0.7669 3063433 Maybridge4_002264 CS/C(=C(/C#N)\S(=O)(=O)C(C)C)/N1CCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G21 compound treatment 0.089 0.218 0.31 -0.885 -0.814 -1.61 -2.8 -2.74993856402665 -5.29645642170971 -3.8061 -0.6866 3178476 Maybridge4_002265 CSc1c(C#N)c(nn1CC(=O)NN)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G22 compound treatment 0.088 0.217 0.31 -0.845 -0.774 -1.53 -0.09 -0.039938564026647 -0.0769227599045188 -0.7478 -0.4793 3063434 Maybridge4_002266 Cc1onc(c1C(=O)N=S(=O)(C)C)c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G23 mock treatment 0.295 0.424 0.6 0.477 0.548 1.08 0.389 0.439061435973353 0.845644260023411 1.4618 0.9741 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 G24 mock treatment -0.345 -0.216 -0.31 0.139 0.21 0.42 0.03 0.080061435973353 0.154200501872833 0.152 0.282 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H01 compound treatment 0.195 0.324 0.46 0.211 0.282 0.56 0.182 0.232061435973353 0.446956633457479 0.8463 0.995 3178477 Maybridge4_002267 CCOC(=O)c1sc(SCc2ccccc2)c(c1n3cccc3)S(=O)(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H02 compound treatment 0.208 0.337 0.48 1.148 1.22 2.25 0.5 0.550061435973353 1.05943327716746 2.1868 0.8639 1259984 Maybridge4_002268 CSc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3-c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H03 compound treatment -1.073 -0.944 -1.34 -1.258 -1.19 -2.34 -1.107 -1.05693856402665 -2.03569240346758 -3.3025 -0.9767 3063436 Maybridge4_002269 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H04 compound treatment 0.018 0.147 0.21 -0.229 -0.158 -0.31 0.053 0.103061435973353 0.198499127046825 0.056 0.1319 3178558 Maybridge4_002270 COC(=O)c1sc(SCCOC(=O)c2ccccc2Cl)c3C(=O)CC(C)(C)Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H05 compound treatment 0.183 0.312 0.44 0.23 0.301 0.6 -0.227 -0.176938564026647 -0.340788483766996 0.4033 0.4936 3063438 Maybridge4_002271 CSc1sc(C#N)c(C)c1c2ccn(n2)C(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H06 compound treatment 0.0 0.129 0.18 -1.212 -1.14 -2.25 -2.716 -2.66593856402665 -5.13467013846557 -4.1585 -0.7413 3178559 Maybridge4_002272 CSc1sc(C(=O)/C=C/N(C)C)c(c1C#N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H07 compound treatment 0.659 0.788 1.12 -0.457 -0.386 -0.76 -0.383 -0.332938564026647 -0.641248724077553 -0.1626 -0.1085 1222048 Maybridge4_002273 CS(=O)c1sc(C(=O)OCc2ccccc2)c3CC(C)(C)CC(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H08 compound treatment 0.093 0.222 0.32 0.265 0.336 0.66 0.348 0.398061435973353 0.766677145582815 1.0087 0.9493 3178560 Maybridge4_002274 CSc1sc(c2cc[nH]n2)c(c1C#N)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H09 compound treatment 0.783 0.912 1.3 -0.854 -0.783 -1.55 -0.071 -0.020938564026647 -0.0403282434564381 -0.1664 -0.0825 3178561 Maybridge4_002275 CC1(C)CC(=O)C=C(SCc2c(Cl)cccc2Cl)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H10 compound treatment -1.9 -1.77 -2.52 -1.089 -1.02 -2.01 -1.565 -1.51493856402665 -2.91781285258447 -4.298 -0.989 1307156 Maybridge4_002276 CC1(C)CCc2cc(ccc2O1)c3ccn(n3)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H11 compound treatment -0.016 0.113 0.16 -0.463 -0.392 -0.77 -0.397 -0.346938564026647 -0.668213104618244 -0.7391 -0.7144 3063440 Maybridge4_002277 CSc1nnc(c2ccc(s2)S(=O)(=O)n3nc(C)cc3C)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H12 compound treatment -0.121 0.00841 0.01 -0.2 -0.129 -0.25 -0.468 -0.417938564026647 -0.804961034503177 -0.6044 -0.716 3178562 Maybridge4_002278 CCSc1nccc(n1)c2ccc3OC(C)(C)CCc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H13 compound treatment -0.268 -0.139 -0.2 -0.022 0.0494 0.1 -0.294 -0.243938564026647 -0.469832304926017 -0.3287 -0.6336 3063442 Maybridge4_002279 Cc1csc2sc(c(C)c12)c3ccnc(SCc4ccccc4)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H14 compound treatment -0.14 -0.0106 -0.02 0.895 0.966 1.91 0.486 0.536061435973353 1.03246889662677 1.6891 0.7785 3178563 Maybridge4_002280 CCOC(=O)c1sc(/S(=N/C(=O)Nc2ccccc2Cl)/C)c3C=CCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H15 compound treatment -0.582 -0.453 -0.64 -0.584 -0.513 -1.01 -0.356 -0.305938564026647 -0.589245990177649 -1.296 -0.9699 1505800 Maybridge4_002281 COC(=O)C(CC(C)C)NS(=O)(=O)c1ccc(s1)c2nnc(SC)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H16 compound treatment -0.569 -0.44 -0.63 0.146 0.217 0.43 -0.046 0.004061435973353 0.00782243608051015 -0.1085 -0.143 3178564 Maybridge4_002282 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCSc2ncccc2C(=O)NCc3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H17 compound treatment -0.583 -0.454 -0.64 -0.122 -0.0506 -0.1 -0.369 -0.318938564026647 -0.614284343536862 -0.7846 -0.8755 3178565 Maybridge4_002283 Clc1ccc(cc1)C2CC(=O)C=C(SCC(=O)c3ccccc3)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H18 compound treatment -0.676 -0.547 -0.78 -0.028 0.0434 0.09 -0.765 -0.714938564026647 -1.37699110740212 -1.1942 -0.7541 3063443 Maybridge4_002284 C/C(=N\O)/c1ccc2OCCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H19 compound treatment -0.385 -0.256 -0.36 -1.367 -1.3 -2.56 -1.464 -1.41393856402665 -2.7232841072552 -3.259 -0.8682 3063445 Maybridge4_002285 CC1(C)CC(=O)c2c(SCC(=O)NN)sc(C#N)c2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H20 compound treatment -0.964 -0.835 -1.19 -0.586 -0.515 -1.02 -0.139 -0.088938564026647 -0.171298091796938 -1.3706 -0.8721 1254429 Maybridge4_002286 Cc1nn(C)c2ncc(C(=O)N)c(Oc3cccnc3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H21 compound treatment 0.4 0.529 0.75 0.1 0.171 0.34 0.053 0.103061435973353 0.198499127046825 0.7446 0.8772 3063446 Maybridge4_002287 CCOC(=O)c1sc(SC)c2c1CCCC32SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H22 compound treatment -0.467 -0.338 -0.48 -0.583 -0.512 -1.01 -0.413 -0.362938564026647 -0.699029539521891 -1.2639 -0.9583 1921420 Maybridge4_002288 OC(=O)/C=C/1\OC(=O)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H23 mock treatment -0.02 0.109 0.16 0.113 0.184 0.36 0.0 0.050061435973353 0.096419686428495 0.3557 0.8728 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 H24 mock treatment -0.34 -0.211 -0.3 -0.041 0.0304 0.06 0.297 0.347061435973353 0.668449759327441 0.2478 0.3371 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I01 compound treatment -1.485 -1.36 -1.93 -0.339 -0.268 -0.53 0.081 0.131061435973353 0.252427888128207 -1.272 -0.6315 3178566 Maybridge4_002289 Cc1ccc(cc1)C(=O)OC[C@H]2O[C@@H](C[C@@H]2OC(=O)c3ccc(C)cc3)c4nnc5ncccn45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I02 compound treatment -0.58 -0.451 -0.64 -0.065 0.00644 0.01 0.013 0.063061435973353 0.121458039787708 -0.2924 -0.4484 3178567 Maybridge4_002290 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)Cc2ccc(Cl)cc2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I03 compound treatment -0.58 -0.451 -0.64 -0.397 -0.326 -0.64 -0.312 -0.261938564026647 -0.50450079419262 -1.0323 -0.9942 3063447 Maybridge4_002291 CCOC(=O)c1c(C)noc1c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I04 compound treatment -0.775 -0.646 -0.92 -0.621 -0.55 -1.09 -0.229 -0.178938564026647 -0.344640538129951 -1.3554 -0.9268 3064096 Maybridge4_002292 CSc1sc(NC(=O)N2CCOCC2)c(c1C#N)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I05 compound treatment -0.426 -0.297 -0.42 -1.015 -0.944 -1.86 -1.29 -1.23993856402665 -2.38815537767804 -2.6979 -0.8822 3064097 Maybridge4_002293 CCOC(=O)/C=C/1\NC(=O)CS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I06 compound treatment -1.41 -1.28 -1.82 -0.907 -0.836 -1.65 -0.638 -0.587938564026647 -1.13238565535443 -2.6575 -0.9823 3064098 Maybridge4_002294 CSc1[nH]nc(c1C#N)c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I07 compound treatment -0.186 -0.0566 -0.08 0.037 0.108 0.21 0.26 0.310061435973353 0.597186753612757 0.4219 0.6598 3064099 Maybridge4_002295 Fc1ccc(NC(=S)N(CCC#N)CC2CCCO2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I08 compound treatment 0.313 0.442 0.63 -0.83 -0.759 -1.5 -1.129 -1.07893856402665 -2.07806500146009 -1.7014 -0.645 3064100 Maybridge4_002296 CSc1sc(C(=O)O)c(C)c1S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I09 compound treatment 0.013 0.142 0.2 0.0 0.0714 0.14 0.273 0.323061435973353 0.62222510697197 0.5576 0.833 1242964 Maybridge4_002297 Cc1nn(c(NC(=O)c2ccccc2)c1C#N)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I10 compound treatment -0.646 -0.517 -0.73 -0.267 -0.196 -0.39 -0.43 -0.379938564026647 -0.731772001607016 -1.0695 -0.9667 3064101 Maybridge4_002298 CC(C)(C)S(=O)(=O)/C(=C/Nc1ccccn1)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I11 compound treatment -0.063 0.0664 0.09 -0.259 -0.188 -0.37 -0.338 -0.287938564026647 -0.554577500911046 -0.4795 -0.7119 1003716 Maybridge4_002299 Cc1ccc(cc1)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I12 compound treatment 0.167 0.296 0.42 -0.255 -0.184 -0.36 -0.379 -0.328938564026647 -0.633544615351641 -0.3317 -0.3936 3064102 Maybridge4_002300 COC(=O)c1scc(c1/N=C/N(C)C)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I13 compound treatment 0.471 0.6 0.85 1.18 1.25 2.28 0.225 0.275061435973353 0.52977580226103 2.1122 0.8493 3178568 Maybridge4_002301 COc1cccc(c1)C(=O)/C=c/2\[nH]c(=O)\c(=C/c3cccs3)\s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I14 compound treatment -1.049 -0.92 -1.31 -0.125 -0.0536 -0.11 -0.164 -0.113938564026647 -0.219448771333886 -0.9426 -0.7088 1621333 Maybridge4_002302 Cc1nccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I15 compound treatment -2.167 -2.04 -2.9 -1.379 -1.31 -2.58 -0.542 -0.491938564026647 -0.947487045932544 -3.7102 -0.9288 1156135 Maybridge4_002303 CC(C)(C)c1ccc(cc1)c2n[nH]c(NS(=O)(=O)c3ccccc3)c2Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I16 compound treatment -1.495 -1.37 -1.94 -0.143 -0.0716 -0.14 0.0 0.050061435973353 0.096419686428495 -1.1469 -0.5884 3064103 Maybridge4_002304 COC(=O)c1sc(SC)c(C#N)c1c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I17 compound treatment -0.048 0.0814 0.12 -2.113 -2.04 -4.03 -0.752 -0.701938564026647 -1.35195275404291 -3.0411 -0.715 1665125 Maybridge4_002305 O=C(Nc1ccccc1)Nc2ccc(cc2)C3SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I18 compound treatment -0.277 -0.148 -0.21 -0.137 -0.0656 -0.13 -0.346 -0.295938564026647 -0.569985718362869 -0.525 -0.8453 3064104 Maybridge4_002306 O=S(=O)(C(=C1SCCCS1)C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I19 compound treatment -0.588 -0.459 -0.65 -0.231 -0.16 -0.32 -0.035 0.015061435973353 0.0290087350767674 -0.5416 -0.7473 3178569 Maybridge4_002307 CSc1nc2cc(C)nn2c(c1C#N)c3ccc(cc3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I20 compound treatment -0.844 -0.715 -1.02 -0.442 -0.371 -0.73 0.221 0.271061435973353 0.522071693535118 -0.7076 -0.5216 3178570 Maybridge4_002308 Cc1ccc(cc1)S(=O)(=NC(=O)NC(=O)c2c(Cl)cccc2Cl)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I21 compound treatment -0.338 -0.209 -0.3 -0.111 -0.0396 -0.08 -0.158 -0.107938564026647 -0.207892608245018 -0.3364 -0.9078 3064105 Maybridge4_002309 CSc1nc(C)nc(N/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I22 compound treatment 0.628 0.757 1.08 0.71 0.781 1.54 0.419 0.469061435973353 0.903425075467748 2.0342 0.9746 1118314 Maybridge4_002310 NNC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I23 mock treatment -0.417 -0.288 -0.41 0.073 0.144 0.29 0.307 0.357061435973353 0.68771003114222 0.3256 0.3834 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 I24 mock treatment -0.836 -0.707 -1.0 -0.036 0.0354 0.07 0.077 0.127061435973353 0.244723779402296 -0.3983 -0.3844 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J01 compound treatment -2.457 -2.33 -3.31 -1.879 -1.81 -3.57 -1.253 -1.20293856402665 -2.31689237196335 -5.3089 -0.9849 3064106 Maybridge4_002311 CSc1sc(c2n[nH]cc2Br)c3CC(C)(C)CC(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J02 compound treatment 1.03 1.16 1.63 1.203 1.27 2.29 0.587 0.637061435973353 1.22699764195604 2.9709 0.9686 3178571 Maybridge4_002312 CSc1scc2CCc3cnc(SCC(=O)NCC=C)nc3-c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J03 compound treatment -0.84 -0.711 -1.01 -0.392 -0.321 -0.63 -0.465 -0.414938564026647 -0.799182952958743 -1.4101 -0.9825 3064107 Maybridge4_002313 CSc1sc(C#N)c2CC(CC(=O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J04 compound treatment -0.349 -0.22 -0.31 0.224 0.295 0.58 0.041 0.091061435973353 0.17538680086909 0.2578 0.3766 3178572 Maybridge4_002314 NC(=S)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J05 compound treatment -0.293 -0.164 -0.23 0.2 0.271 0.54 -0.383 -0.332938564026647 -0.641248724077553 -0.1951 -0.2249 3064108 Maybridge4_002315 COC(=O)c1sccc1N/C=C(\C#N)/S(=O)(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J06 compound treatment -0.158 -0.0286 -0.04 0.056 0.127 0.25 0.058 0.108061435973353 0.208129262954215 0.242 0.7353 3178573 Maybridge4_002316 CCOC(=O)c1sc(SC)c-2c1CCc3conc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J07 compound treatment -0.422 -0.293 -0.42 -0.239 -0.168 -0.33 0.178 0.228061435973353 0.439252524731567 -0.1776 -0.2576 3178574 Maybridge4_002317 Cc1nn(Cc2nnc(o2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J08 compound treatment -1.07 -0.941 -1.34 -0.205 -0.134 -0.26 -0.124 -0.073938564026647 -0.142407684074769 -1.0066 -0.7345 3064109 Maybridge4_002318 CCCS(=O)(=O)/C(=C/c1sccc1Oc2ccccc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J09 compound treatment -1.639 -1.51 -2.15 -0.611 -0.54 -1.07 -0.494 -0.443938564026647 -0.855037741221603 -2.3479 -0.9229 3178575 Maybridge4_002319 Cc1ccc(cc1)S(=O)(=O)CCSC2=CC(=O)CC(C)(C)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J10 compound treatment -1.105 -0.976 -1.39 -0.302 -0.231 -0.46 -0.427 -0.376938564026647 -0.725993920062582 -1.4828 -0.9095 3064110 Maybridge4_002320 Clc1ccc(cc1)c2ccnc(SCCS(=O)(=O)c3ccc(Cl)cc3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J11 compound treatment -0.109 0.0204 0.03 -0.389 -0.318 -0.63 -0.725 -0.674938564026647 -1.29995002014301 -1.0958 -0.7591 3178576 Maybridge4_002321 CSc1sc(C(=O)Sc2ccccc2)c-3c1S(=O)(=O)N(C)c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J12 compound treatment -0.473 -0.344 -0.49 0.049 0.12 0.24 0.026 0.076061435973353 0.146496393146921 -0.0602 -0.1069 1454764 Maybridge4_002322 CCOC(=O)C1=C(Nc2ccc(OC(=O)C)cc2)C(=O)N(C1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J13 compound treatment -0.04 0.0894 0.13 0.439 0.51 1.01 0.36 0.410061435973353 0.78978947176055 1.1113 0.8636 3178577 Maybridge4_002323 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)c4ccccc4)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J14 compound treatment -0.273 -0.144 -0.2 -0.115 -0.0436 -0.09 0.041 0.091061435973353 0.17538680086909 -0.0663 -0.2345 3178578 Maybridge4_002324 CCOC(=O)c1sc(/S(=N/S(=O)(=O)c2cccc(Cl)c2)/C)c3C=CCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J15 compound treatment -0.808 -0.679 -0.96 -0.651 -0.58 -1.14 -0.904 -0.853938564026647 -1.64470888562756 -2.1673 -0.9746 3064111 Maybridge4_002325 COc1cccc(NC(=S)N=S(=O)(C)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J16 compound treatment -0.283 -0.154 -0.22 -0.362 -0.291 -0.57 -0.141 -0.090938564026647 -0.175150146159893 -0.5584 -0.8748 3178579 Maybridge4_002326 CCCCc1ccc(NC(=O)N=S2CCN(CC2)c3ncc(cc3Cl)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J17 compound treatment -0.5 -0.371 -0.53 -0.076 -0.00456 -0.01 -0.114 -0.063938564026647 -0.123147412259989 -0.3805 -0.7031 3064112 Maybridge4_002327 Cc1nn(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)c(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J18 compound treatment -0.244 -0.115 -0.16 -0.377 -0.306 -0.6 -0.247 -0.196938564026647 -0.379309027396554 -0.6614 -0.9047 3178580 Maybridge4_002328 C/S(=N/C(=O)Nc1ccc(Cl)cc1)/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J19 compound treatment -0.613 -0.484 -0.69 -0.122 -0.0506 -0.1 -0.091 -0.040938564026647 -0.0788487870859968 -0.5001 -0.7153 3064113 Maybridge4_002329 CS(=O)(=NS(=O)(=O)c1cc(cs1)S(=O)(=O)c2ccccc2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J20 compound treatment -0.27 -0.141 -0.2 -0.18 -0.109 -0.21 0.233 0.283061435973353 0.545184019712853 0.0756 0.1221 1183286 Maybridge4_002330 CN1c2ccsc2-c3nc(SCc4ccc(Cl)cc4)ncc3S1(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J21 compound treatment -1.0 -0.871 -1.24 0.185 0.256 0.51 0.091 0.141061435973353 0.271688159942987 -0.2654 -0.1945 3064114 Maybridge4_002331 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCSc2ccc(cn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J22 compound treatment -1.842 -1.71 -2.43 -1.311 -1.24 -2.45 -1.059 -1.00893856402665 -1.94324309875663 -3.9408 -0.9947 3178581 Maybridge4_002332 O=C(CCN1CCC(=N1)c2cccs2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J23 mock treatment 0.357 0.486 0.69 -0.034 0.0374 0.07 -0.014 0.036061435973353 0.069455305887804 0.4821 0.6897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 J24 mock treatment 0.091 0.22 0.31 -1.159 -1.09 -2.15 -1.413 -1.36293856402665 -2.62505672099982 -2.5745 -0.7559 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K01 compound treatment -0.814 -0.685 -0.97 -0.839 -0.768 -1.52 -0.606 -0.555938564026647 -1.07075278554713 -2.0552 -0.9808 3064115 Maybridge4_002333 C/C(=C\C#N)/Nc1c(C)n(C)n(c2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K02 compound treatment -0.304 -0.175 -0.25 -0.656 -0.585 -1.15 -0.313 -0.262938564026647 -0.506426821374098 -1.1021 -0.8579 3178657 Maybridge4_002334 CSc1sc(C(=O)O)c(c1C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K03 compound treatment 0.193 0.322 0.46 0.475 0.546 1.08 0.134 0.184061435973353 0.354507328746538 1.0923 0.8918 1629094 Maybridge4_002335 NC(=S)NN1C2CSC1CS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K04 compound treatment -0.828 -0.699 -0.99 -0.803 -0.732 -1.44 -1.0 -0.949938564026647 -1.82960749504944 -2.4637 -0.9723 3178658 Maybridge4_002336 CSc1c(C#N)c(nn1C(=O)c2cccs2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K05 compound treatment -0.3 -0.171 -0.24 -0.431 -0.36 -0.71 0.0 0.050061435973353 0.096419686428495 -0.4943 -0.6534 3178659 Maybridge4_002337 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCCN3C2c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K06 compound treatment -1.631 -1.5 -2.13 -1.404 -1.33 -2.63 -1.507 -1.45693856402665 -2.80610327605875 -4.3718 -0.9937 3064116 Maybridge4_002338 CSc1nc(/N=C/N(C)C)n2nc(cc2n1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K07 compound treatment -0.492 -0.363 -0.52 -0.228 -0.157 -0.31 0.1 0.150061435973353 0.289022404576288 -0.3093 -0.4637 3178660 Maybridge4_002339 CN(CCC#N)C(=S)Nc1ccc(F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K08 compound treatment -0.443 -0.314 -0.45 0.0 0.0714 0.14 -0.013 0.037061435973353 0.0713813330692819 -0.1348 -0.2849 3064117 Maybridge4_002340 COC(=O)c1scc(C#N)c1/N=C/N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K09 compound treatment -0.796 -0.667 -0.95 -0.63 -0.559 -1.1 -0.885 -0.834938564026647 -1.60811436917947 -2.1124 -0.9743 1197958 Maybridge4_002341 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K10 compound treatment -0.676 -0.547 -0.78 -0.423 -0.352 -0.69 -0.074 -0.023938564026647 -0.0461063250008719 -0.8761 -0.8399 1372972 Maybridge4_002342 COc1ncccc1C(=O)Nc2ccc(F)cc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K11 compound treatment -0.836 -0.707 -1.0 -0.449 -0.378 -0.75 -0.539 -0.488938564026647 -0.94170896438811 -1.5541 -0.9925 3178661 Maybridge4_002343 CC(=O)Nc1c(Br)c(nn1c2ccccc2)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K12 compound treatment -1.241 -1.11 -1.58 -0.194 -0.123 -0.24 -0.267 -0.216938564026647 -0.417829571026113 -1.2934 -0.7827 3064118 Maybridge4_002344 O=S(=O)(/C(=C/c1ccc(\C=C(/C#N)\S(=O)(=O)c2ccccc2)cc1)/C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K13 compound treatment -0.182 -0.0526 -0.07 -0.4 -0.329 -0.65 -0.292 -0.241938564026647 -0.465980250563061 -0.6868 -0.856 3178662 Maybridge4_002345 Oc1c2CN(C3CCCCC3)C(=O)c2nc4cc(nn14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K14 compound treatment -0.304 -0.175 -0.25 -0.182 -0.111 -0.22 0.092 0.142061435973353 0.273614187124465 -0.1114 -0.2596 1503351 Maybridge4_002346 CNC(=O)Nc1cccc(c1)c2ccnc(C)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K15 compound treatment -1.0 -0.871 -1.24 -1.127 -1.06 -2.08 -1.0 -0.949938564026647 -1.82960749504944 -2.9743 -0.9793 3178663 Maybridge4_002347 Clc1ccc(cc1)S(=O)(=O)/C(=C/c2ccccc2Cl)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K16 compound treatment -0.65 -0.521 -0.74 -0.522 -0.451 -0.89 -0.448 -0.397938564026647 -0.766440490873618 -1.3835 -0.9967 1326810 Maybridge4_002348 CC(C)S(=O)(=O)c1cnc(nc1N)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K17 compound treatment -0.464 -0.335 -0.48 -0.133 -0.0616 -0.12 -0.083 -0.032938564026647 -0.0634405696341733 -0.3815 -0.7705 3064119 Maybridge4_002349 CNC(=O)Nc1ccc(cc1)C2SCCS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K18 compound treatment -0.213 -0.0836 -0.12 0.87 0.941 1.86 0.478 0.528061435973353 1.01706067917495 1.5918 0.7501 1218060 Maybridge4_002350 CCOC(=O)c1cnc2c(csc2c1Sc3ccc(Cl)cc3)S(=O)(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K19 compound treatment -0.143 -0.0136 -0.02 -0.278 -0.207 -0.41 0.214 0.264061435973353 0.508589503264772 0.047 0.0721 3064120 Maybridge4_002351 CSc1nc2cc(C)nn2c(c3ccco3)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K20 compound treatment -0.457 -0.328 -0.47 -0.027 0.0444 0.09 0.137 0.187061435973353 0.360285410290972 -0.0102 -0.0172 1209169 Maybridge4_002352 CS(=O)N(C(=O)c1scc(c1C)S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K21 compound treatment 0.859 0.988 1.41 0.075 0.146 0.29 0.1 0.150061435973353 0.289022404576288 1.1452 0.7824 1134325 Maybridge4_002353 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(c3cccs3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K22 compound treatment -0.451 -0.322 -0.46 -0.123 -0.0516 -0.1 -0.202 -0.151938564026647 -0.292637804230047 -0.4917 -0.8903 1310626 Maybridge4_002354 CCOC(=O)CSc1sc(C(=O)OCC)c-2c1S(=O)(=O)N(C)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K23 mock treatment 0.024 0.153 0.22 0.191 0.262 0.52 0.182 0.232061435973353 0.446956633457479 0.6832 0.9512 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 K24 mock treatment -0.764 -0.635 -0.9 0.231 0.302 0.6 0.075 0.125061435973353 0.24087172503934 -0.0371 -0.0334 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L01 compound treatment -0.485 -0.356 -0.51 -0.382 -0.311 -0.61 -0.027 0.023061435973353 0.0444169525285909 -0.6203 -0.7793 3064121 Maybridge4_002355 CSc1sc(c2ccn(n2)C(=O)Nc3ccccc3)c4CC(C)(C)CC(=O)c14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L02 compound treatment -0.24 -0.111 -0.16 0.908 0.979 1.93 0.694 0.744061435973353 1.43308255037418 1.8532 0.7683 3178664 Maybridge4_002356 CS(=O)(=N/C=C(\C#N)/S(=O)(=O)c1ccc(cn1)C(F)(F)F)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L03 compound treatment -1.807 -1.68 -2.39 -2.382 -2.31 -4.56 -1.328 -1.27793856402665 -2.4613444105742 -5.4321 -0.952 3064122 Maybridge4_002357 CSc1sc(C#N)c(C)c1C(=O)/C=C/N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L04 compound treatment -0.466 -0.337 -0.48 -0.136 -0.0646 -0.13 -0.318 -0.267938564026647 -0.516056957281487 -0.6478 -0.9058 3178665 Maybridge4_002358 CCOC(=O)c1sc(SCCS(=O)(=O)c2ccc(Cl)cc2)c3C(=O)CCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L05 compound treatment -0.611 -0.482 -0.68 -0.486 -0.415 -0.82 -0.255 -0.204938564026647 -0.394717244848378 -1.0958 -0.9631 1438715 Maybridge4_002359 Cc1c(C=C)c(sc1C(=O)Oc2ccccc2)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L06 compound treatment -0.143 -0.0136 -0.02 -0.063 0.00844 0.02 0.031 0.081061435973353 0.156126529054311 0.0886 0.5601 3178666 Maybridge4_002360 CC1(C)CC(=O)c2c(SCCOC(=O)c3ccccc3Cl)sc(C#N)c2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L07 compound treatment -1.696 -1.57 -2.23 -0.099 -0.0276 -0.05 0.14 0.190061435973353 0.366063491835405 -1.106 -0.4899 3064123 Maybridge4_002361 Cc1nn(Cc2nc(cs2)C(C)(C)C)c(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L08 compound treatment -0.435 -0.306 -0.43 -0.015 0.0564 0.11 -0.027 0.023061435973353 0.0444169525285909 -0.1609 -0.3569 1009905 Maybridge4_002362 CC(=O)Nc1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L09 compound treatment 0.289 0.418 0.59 -0.181 -0.11 -0.22 -0.423 -0.372938564026647 -0.71828981133667 -0.1961 -0.2049 3178667 Maybridge4_002363 CSc1sc(c2CCCC(=O)c12)c3ccnc(SCC(=O)c4ccc(Cl)cc4)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L10 compound treatment 0.394 0.523 0.74 0.265 0.336 0.66 -0.013 0.037061435973353 0.0713813330692819 0.8544 0.8543 3064124 Maybridge4_002364 O=S1(=O)CC=C(C1)Sc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L11 compound treatment -0.013 0.116 0.17 -0.517 -0.446 -0.88 -0.391 -0.340938564026647 -0.656656941529376 -0.7915 -0.7129 3178668 Maybridge4_002365 Cc1cc(C)n(CCS(=O)(=O)c2ccc(Cl)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L12 compound treatment -0.684 -0.555 -0.79 -0.4 -0.329 -0.65 -0.317 -0.266938564026647 -0.514130930100009 -1.1266 -0.9855 3064125 Maybridge4_002366 Clc1ccc(cc1)C(=O)Nc2cc(cs2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L13 compound treatment -0.051 0.0784 0.11 -0.073 -0.00156 0.0 0.088 0.138061435973353 0.265910078398553 0.2161 0.7495 3178669 Maybridge4_002367 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)NCc4ccccc4)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L14 compound treatment -0.26 -0.131 -0.19 0.423 0.494 0.98 0.306 0.356061435973353 0.685784003960742 0.8524 0.706 1344584 Maybridge4_002368 COC(=O)c1c(C)n2CSCc2c1C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L15 compound treatment 0.068 0.197 0.28 -0.058 0.0134 0.03 0.0 0.050061435973353 0.096419686428495 0.233 0.7821 3178670 Maybridge4_002369 CN(C)/C=C/C(=O)c1ccsc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L16 compound treatment 0.389 0.518 0.74 0.515 0.586 1.16 0.246 0.296061435973353 0.570222373072066 1.4233 0.9576 1542795 Maybridge4_002370 CCCCc1ccc(NC(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L17 compound treatment -0.435 -0.306 -0.43 -0.053 0.0184 0.04 -0.531 -0.480938564026647 -0.926300746936287 -0.7646 -0.7469 1463535 Maybridge4_002371 CN1c2sc(C)c(C)c2C(=C(C(=O)Nc3ccc(Cl)cc3)S1(=O)=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L18 compound treatment -0.056 0.0734 0.1 -0.238 -0.167 -0.33 -0.016 0.034061435973353 0.0656032515248481 -0.0917 -0.2612 1537505 Maybridge4_002372 Cc1occc1C(=O)C(=C(NCc2cccnc2)NCc3cccnc3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L19 compound treatment 0.079 0.208 0.3 -0.405 -0.334 -0.66 0.598 0.648061435973353 1.2481839409523 0.5115 0.3547 3064207 Maybridge4_002373 CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L20 compound treatment -2.467 -2.34 -3.32 -1.525 -1.45 -2.87 -1.958 -1.90793856402665 -3.6747415349053 -5.6975 -0.995 3064208 Maybridge4_002374 FC(F)(F)c1ccc(SC(=O)c2csc(n2)C3COc4ccccc4O3)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L21 compound treatment 0.318 0.447 0.64 0.12 0.191 0.38 0.536 0.586061435973353 1.12877025570067 1.2372 0.9167 3064209 Maybridge4_002375 CN(C)/C=N/C(=O)c1sc(c2C=CCCc12)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L22 compound treatment -0.308 -0.179 -0.25 0.044 0.115 0.23 0.538 0.588061435973353 1.13262231006362 0.6389 0.5401 1320320 Maybridge4_002376 O=C(C1Cc2ccccc2C1)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L23 mock treatment -0.157 -0.0276 -0.04 -0.014 0.0574 0.11 0.03 0.080061435973353 0.154200501872833 0.1319 0.6748 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 L24 mock treatment -0.542 -0.413 -0.59 -0.055 0.0164 0.03 0.044 0.094061435973353 0.181164882413524 -0.2153 -0.3503 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M01 compound treatment -1.838 -1.71 -2.43 -0.958 -0.887 -1.75 -0.598 -0.547938564026647 -1.05534456809531 -3.0225 -0.952 3064210 Maybridge4_002377 OC(=O)c1ccc2ccccc2c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M02 compound treatment -0.759 -0.63 -0.9 0.363 0.434 0.86 0.04 0.090061435973353 0.173460773687612 0.0786 0.0628 3064211 Maybridge4_002378 Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc2cccc(Cl)c2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M03 compound treatment -0.284 -0.155 -0.22 -0.344 -0.273 -0.54 -0.048 0.002061435973353 0.00397038171755429 -0.4353 -0.7488 3178671 Maybridge4_002379 COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M04 compound treatment -0.27 -0.141 -0.2 0.024 0.0954 0.19 -0.692 -0.641938564026647 -1.23639112315423 -0.7204 -0.5688 3178672 Maybridge4_002380 CCOC(=O)/C(=C\Nc1ccc(F)c(Cl)c1)/S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M05 compound treatment -0.371 -0.242 -0.34 -0.836 -0.765 -1.51 -0.454 -0.403938564026647 -0.777996653962486 -1.5191 -0.8767 3064212 Maybridge4_002381 Clc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M06 compound treatment -0.516 -0.387 -0.55 -0.224 -0.153 -0.3 -0.173 -0.122938564026647 -0.236783015967187 -0.628 -0.9372 3064213 Maybridge4_002382 NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M07 compound treatment -0.828 -0.699 -0.99 0.404 0.475 0.94 0.202 0.252061435973353 0.485477177087037 0.2488 0.1716 3178673 Maybridge4_002383 Cc1cc(C)cc(NC(=S)Nc2cc(C)cc(C)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M08 compound treatment -0.372 -0.243 -0.34 -0.3 -0.229 -0.45 -0.348 -0.297938564026647 -0.573837772725825 -0.791 -0.9797 3178674 Maybridge4_002384 Clc1ccc(SCC(=O)Nc2cscc2S(=O)(=O)c3ccc(Cl)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M09 compound treatment -0.026 0.103 0.15 -0.055 0.0164 0.03 -0.101 -0.050938564026647 -0.0981090589007761 0.047 0.2614 1165743 Maybridge4_002385 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M10 compound treatment -0.248 -0.119 -0.17 0.169 0.24 0.47 -0.349 -0.298938564026647 -0.575763799907303 -0.1557 -0.2035 3178675 Maybridge4_002386 Clc1ccccc1NC(=S)Nc2cscc2S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M11 compound treatment 0.06 0.189 0.27 -0.413 -0.342 -0.67 -0.333 -0.282938564026647 -0.544947365003656 -0.5485 -0.6041 1302916 Maybridge4_002387 CC(C)(C)n1nc(cc1NC(=O)Nc2ccccc2)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M12 compound treatment -0.158 -0.0286 -0.04 -1.019 -0.948 -1.87 -1.338 -1.28793856402665 -2.48060468238898 -2.5359 -0.8161 3178676 Maybridge4_002388 COC(=O)c1sc(SC)c(c1C)c2ccn(n2)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M13 compound treatment -0.671 -0.542 -0.77 -0.145 -0.0736 -0.15 0.0 0.050061435973353 0.096419686428495 -0.4728 -0.5988 3064215 Maybridge4_002389 COc1c(Cl)scc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M14 compound treatment -1.557 -1.43 -2.03 -0.646 -0.575 -1.13 -0.427 -0.376938564026647 -0.725993920062582 -2.246 -0.922 3178677 Maybridge4_002390 CC(C)S(=O)(=O)c1csc(C(=O)NN)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M15 compound treatment -3.171 -3.04 -4.32 -1.785 -1.71 -3.38 -0.713 -0.662938564026647 -1.27683769396527 -5.1874 -0.9202 1619049 Maybridge4_002391 CC(C)(C)c1ccc(cc1)c2[nH]nc(NC(=O)c3ccccc3Cl)c2Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M16 compound treatment -1.025 -0.896 -1.27 -0.24 -0.169 -0.33 0.158 0.208061435973353 0.400731981102008 -0.696 -0.5059 3178678 Maybridge4_002392 CSc1sc(C(=O)O)c(I)c1S(=O)(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M17 compound treatment -1.043 -0.914 -1.3 -0.115 -0.0436 -0.09 -1.069 -1.01893856402665 -1.96250337057141 -1.9326 -0.8207 3178679 Maybridge4_002393 CC(C)(C)c1ccc(cc1)C(=O)C(=C2SCCCS2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M18 compound treatment -0.523 -0.394 -0.56 -0.224 -0.153 -0.3 0.027 0.077061435973353 0.148422420328399 -0.4113 -0.6302 3064216 Maybridge4_002394 CS(=O)(=NC(=O)Nc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M19 compound treatment -0.75 -0.621 -0.88 -0.353 -0.282 -0.56 -0.093 -0.042938564026647 -0.0827008414489526 -0.8781 -0.8394 3178680 Maybridge4_002395 CSc1nc2cc(C)nn2c(c1C#N)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M20 compound treatment -0.195 -0.0656 -0.09 -0.68 -0.609 -1.2 -0.649 -0.598938564026647 -1.15357195435068 -1.4136 -0.8473 1447748 Maybridge4_002396 Clc1ccccc1c2csc(CS(=O)(=O)c3cccs3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M21 compound treatment -0.203 -0.0736 -0.1 -0.07 0.00144 0.0 -0.175 -0.124938564026647 -0.240635070330143 -0.1977 -0.7534 3178681 Maybridge4_002397 CSc1nc(N)n2nc(cc2n1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M22 compound treatment -3.183 -3.05 -4.34 -3.586 -3.51 -6.94 -5.544 -5.49393856402665 -10.5814750076852 -12.6224 -0.9435 3178753 Maybridge4_002398 CN(C)/C=C/C(=O)c1sc(SCc2ccc(Cl)cc2)c3C(=O)CC(C)(C)Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M23 mock treatment -1.176 -1.05 -1.49 0.275 0.346 0.68 0.173 0.223061435973353 0.429622388824177 -0.2161 -0.1277 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 M24 mock treatment -0.806 -0.677 -0.96 0.345 0.416 0.82 0.203 0.253061435973353 0.487403204268515 0.2007 0.148 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N01 compound treatment -0.721 -0.592 -0.84 -0.052 0.0194 0.04 -0.235 -0.184938564026647 -0.356196701218819 -0.6691 -0.7319 3064217 Maybridge4_002399 CCOC(=O)c1sc2sc(C(=O)OCC)c(c3ccc(Cl)cc3)c2c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N02 compound treatment -2.136 -2.01 -2.85 -1.131 -1.06 -2.09 -0.718 -0.667938564026647 -1.28646782987266 -3.5978 -0.9557 3064244 Maybridge4_002400 CCOC(=O)NS(=O)(=O)c1ccc(s1)c2cc(n(C)n2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N03 compound treatment -0.687 -0.558 -0.79 -0.164 -0.0926 -0.18 -0.029 0.021061435973353 0.040564898165635 -0.5398 -0.6627 3064245 Maybridge4_002401 CSc1scc2CC(C)(C)CC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N04 compound treatment -0.833 -0.704 -1.0 -0.508 -0.437 -0.86 -0.493 -0.442938564026647 -0.853111714040125 -1.5678 -0.9972 3064246 Maybridge4_002402 CC1(C)CCc2cc(ccc2O1)C3SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N05 compound treatment 0.328 0.457 0.65 -0.072 -5.62E-4 0.0 -0.056 -0.005938564026647 -0.0114378357342692 0.3682 0.5661 3064248 Maybridge4_002403 Cc1nn(CC(=S)N)c(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N06 compound treatment -0.238 -0.109 -0.15 -0.057 0.0144 0.03 0.588 0.638061435973353 1.22892366913752 0.6368 0.514 1138975 Maybridge4_002404 CC(C)S(=O)(=O)c1cscc1N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N07 compound treatment -1.328 -1.2 -1.7 0.34 0.411 0.81 -0.442 -0.391938564026647 -0.754884327784751 -0.9507 -0.4676 3064249 Maybridge4_002405 Fc1cccc(NC(=S)N(CCS(=O)(=O)c2ccc(Cl)cc2)Cc3cccs3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N08 compound treatment -0.876 -0.747 -1.06 -1.024 -0.953 -1.88 -0.56 -0.509938564026647 -0.982155535199147 -2.2658 -0.955 3064250 Maybridge4_002406 Clc1ccc(C(=O)C2C(=O)CCC(C2=O)c3ccccc3)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N09 compound treatment 1.602 1.73 1.91 1.536 1.61 2.53 1.464 1.51406143597335 2.38845633415052 3.9443 0.9934 3064251 Maybridge4_002407 CSc1sc(c2CC(C)(C)CC(=O)c12)c3ccnc(SCC(=O)C(C)(C)C)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N10 compound treatment 0.305 0.434 0.62 0.214 0.285 0.56 0.269 0.319061435973353 0.614520998246059 1.0368 0.9991 1318871 Maybridge4_002408 Cn1ccnc1SCCS(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N11 compound treatment -0.186 -0.0566 -0.08 -0.667 -0.596 -1.18 -1.183 -1.13293856402665 -2.1820704692599 -1.9852 -0.8005 1250473 Maybridge4_002409 CCOC(=O)c1sc(SCc2ccccc2)c3c1-c4sccc4N(C)S3(=O)=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N12 compound treatment -0.554 -0.425 -0.6 -0.323 -0.252 -0.5 -0.522 -0.471938564026647 -0.908966502302985 -1.1601 -0.9676 3064253 Maybridge4_002410 FC(F)(F)c1cc(cc(c1)S(=O)(=O)/N=S\2/CCC3(C2)OCCO3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N13 compound treatment -0.353 -0.224 -0.32 -0.293 -0.222 -0.44 0.104 0.154061435973353 0.2967265133022 -0.2648 -0.4293 1662782 Maybridge4_002411 CSc1sc(c2nc(cs2)C(C)(C)C)c3CCCC(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N14 compound treatment -0.464 -0.335 -0.48 0.081 0.152 0.3 -0.125 -0.074938564026647 -0.144333711256246 -0.1842 -0.317 1607185 Maybridge4_002412 Clc1ccc(cc1)C(=O)N=S2CCN(CC2)C(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N15 compound treatment -2.342 -2.21 -3.15 -2.0 -1.93 -3.81 -1.493 -1.44293856402665 -2.77913889551806 -5.6193 -0.9915 3178754 Maybridge4_002413 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)c3cccc(c3)C(F)(F)F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N16 compound treatment -0.101 0.0284 0.04 0.211 0.282 0.56 0.263 0.313061435973353 0.602964835157191 0.6934 0.8432 1495489 Maybridge4_002414 Clc1ccc(OC(=O)c2cccnc2SCCS(=O)(=O)c3ccccc3)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N17 compound treatment -2.371 -2.24 -3.19 -1.618 -1.55 -3.05 -0.785 -0.734938564026647 -1.41551165103168 -4.4204 -0.9536 3178755 Maybridge4_002415 CSc1sc(C(=O)NN)c2CCC=Cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N18 compound treatment 0.474 0.603 0.86 -0.036 0.0354 0.07 -0.103 -0.052938564026647 -0.101961113263732 0.4768 0.5501 3178756 Maybridge4_002416 CS(=O)(=NS(=O)(=O)c1cccs1)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N19 compound treatment -0.5 -0.371 -0.53 0.102 0.173 0.34 0.12 0.170061435973353 0.327542948205847 0.0826 0.1166 3064254 Maybridge4_002417 CS(=O)(=O)/C(=C/Nc1cnccn1)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N20 compound treatment -0.711 -0.582 -0.83 -0.467 -0.396 -0.78 -0.169 -0.118938564026647 -0.229078907241275 -1.0606 -0.9141 1627111 Maybridge4_002418 O=C(SCc1cccs1)c2csc(n2)C3COc4ccccc4O3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N21 compound treatment -1.518 -1.39 -1.97 -1.121 -1.05 -2.07 -0.673 -0.622938564026647 -1.19979660670615 -3.029 -0.976 3064255 Maybridge4_002419 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CCN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N22 compound treatment -1.602 -1.47 -2.09 -1.535 -1.46 -2.89 -2.096 -2.04593856402665 -3.94053328594925 -5.1523 -0.9692 3178757 Maybridge4_002420 Clc1ccc(cc1)c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N23 mock treatment 0.313 0.442 0.63 0.226 0.297 0.59 -0.014 0.036061435973353 0.069455305887804 0.7423 0.8598 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 N24 mock treatment 0.0 0.129 0.18 0.111 0.182 0.36 0.014 0.064061435973353 0.123384066969186 0.3854 0.9114 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O01 compound treatment 0.241 0.37 0.53 0.303 0.374 0.74 0.578 0.628061435973353 1.20966339732274 1.4293 0.9451 1259648 Maybridge4_002421 COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C3(CC4CC5CC(C4)C3)C5)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O02 compound treatment -0.078 0.0514 0.07 0.914 0.985 1.95 0.733 0.783061435973353 1.50819761045182 2.0363 0.8268 3064256 Maybridge4_002422 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)c2ccccn2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O03 compound treatment -1.5 -1.37 -1.95 -2.338 -2.27 -4.48 -1.465 -1.41493856402665 -2.72521013443667 -5.2823 -0.9449 1743228 Maybridge4_002423 Cc1ccc(Nc2cc(O)nn2C)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O04 compound treatment -0.39 -0.261 -0.37 -0.254 -0.183 -0.36 -0.292 -0.241938564026647 -0.465980250563061 -0.6911 -0.993 3064257 Maybridge4_002424 CCn1c(S)nc2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O05 compound treatment -1.699 -1.57 -2.23 -2.23 -2.16 -4.26 -0.644 -0.593938564026647 -1.14394181844329 -4.4096 -0.8917 3178758 Maybridge4_002425 Cc1c(C)c(C)c(CSc2ccccc2N)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O06 compound treatment -0.567 -0.438 -0.62 -0.309 -0.238 -0.47 -0.045 0.005061435973353 0.00974846326198809 -0.6244 -0.8013 3064258 Maybridge4_002426 CS/C(=C(\C#N)/C(=O)C1CC1)/N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O07 compound treatment 0.098 0.227 0.32 0.34 0.411 0.81 0.415 0.465061435973353 0.895720966741837 1.1729 0.937 1286597 Maybridge4_002427 O=S(=O)(CCN1CCSCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O08 compound treatment -0.438 -0.309 -0.44 0.169 0.24 0.47 -0.176 -0.125938564026647 -0.242561097511621 -0.1193 -0.1727 3064259 Maybridge4_002428 Clc1ccccc1C(=O)Nc2cscc2S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O09 compound treatment 0.101 0.23 0.33 -0.197 -0.126 -0.25 -0.178 -0.127938564026647 -0.246413151874577 -0.0963 -0.201 3178759 Maybridge4_002429 O=S(=O)(CCSc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O10 compound treatment -1.406 -1.28 -1.82 -1.066 -0.995 -1.96 -1.086 -1.03593856402665 -1.99524583265654 -3.3337 -0.9992 1558086 Maybridge4_002430 COC(=O)C1=C(CSC1)Nc2ccc(F)cc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O11 compound treatment 0.402 0.531 0.76 0.024 0.0954 0.19 -0.253 -0.202938564026647 -0.390865190485422 0.3193 0.3665 3064260 Maybridge4_002431 Cc1cc(C)n2nc(cc2n1)c3ccc(cc3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O12 compound treatment 0.222 0.351 0.5 -0.812 -0.741 -1.46 -0.642 -0.591938564026647 -1.14008976408034 -1.214 -0.6322 3178760 Maybridge4_002432 CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O13 compound treatment -0.577 -0.448 -0.64 -0.212 -0.141 -0.28 -0.132 -0.081938564026647 -0.157815901526592 -0.6188 -0.8691 3064262 Maybridge4_002433 Clc1ccc(cc1)S(=O)(=O)/C(=C/N2CCCCC2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O14 compound treatment -0.148 -0.0186 -0.03 -0.254 -0.183 -0.36 -0.014 0.036061435973353 0.069455305887804 -0.1833 -0.498 3178761 Maybridge4_002434 Fc1ccc(NC(=O)c2cccnc2Sc3cccs3)c(F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O15 compound treatment -0.386 -0.257 -0.36 0.154 0.225 0.45 0.138 0.188061435973353 0.36221143747245 0.2555 0.3757 3064263 Maybridge4_002435 Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(c1C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O16 compound treatment -1.185 -1.06 -1.5 -0.656 -0.585 -1.15 -0.71 -0.659938564026647 -1.27105961242084 -2.2667 -0.994 3178762 Maybridge4_002436 CSc1scc(c1C#N)c2cc(Cl)cc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O17 compound treatment -0.429 -0.3 -0.43 -0.217 -0.146 -0.29 0.074 0.124061435973353 0.238945697857862 -0.2739 -0.4833 3064280 Maybridge4_002437 O=C(C(=C1SCCCS1)C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O18 compound treatment -0.524 -0.395 -0.56 -0.431 -0.36 -0.71 -0.145 -0.094938564026647 -0.182854254885805 -0.8394 -0.9092 3064281 Maybridge4_002438 CN(/N=C(\C#N)/C(=O)C1CC1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O19 compound treatment -0.238 -0.109 -0.15 0.352 0.423 0.84 0.393 0.443061435973353 0.853348368749322 0.8863 0.7357 1358615 Maybridge4_002439 COCc1cc(OC(=O)N(C)C)nc2n(C)nc(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O20 compound treatment -0.418 -0.289 -0.41 -0.43 -0.359 -0.71 -0.447 -0.396938564026647 -0.76451446369214 -1.087 -0.9707 1379175 Maybridge4_002440 Cn1ccc(n1)c2cccc(NC(=O)Nc3ccccc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O21 compound treatment -0.25 -0.121 -0.17 -0.315 -0.244 -0.48 0.028 0.078061435973353 0.150348447509877 -0.2898 -0.5446 3064282 Maybridge4_002441 CSc1c(C#N)c(nn1CNC(=O)Nc2ccccc2C(F)(F)F)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O22 compound treatment -1.768 -1.64 -2.33 -2.124 -2.05 -4.05 -2.0 -1.94993856402665 -3.75563467652737 -5.8533 -0.9761 3064283 Maybridge4_002442 CCOC(=O)c1sc(SCc2c(Cl)cccc2Cl)c(c1N)S(=O)(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O23 mock treatment 0.343 0.472 0.67 -0.029 0.0424 0.08 -0.012 0.038061435973353 0.0733073602507598 0.4785 0.7028 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 O24 mock treatment -0.613 -0.484 -0.69 0.138 0.209 0.41 0.015 0.065061435973353 0.125310094150664 -0.0859 -0.1057 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P01 compound treatment -0.039 0.0904 0.13 0.269 0.34 0.67 0.111 0.161061435973353 0.310208703572545 0.6414 0.8536 3064285 Maybridge4_002443 Nc1c(C#N)sc2sc(C#N)c(c3ccco3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P02 compound treatment -0.687 -0.558 -0.79 -0.493 -0.422 -0.83 -0.049 0.00106143597335299 0.00204435453607635 -0.9371 -0.8152 3064286 Maybridge4_002444 CC(C)(C)c1ncc(c(N)n1)S(=O)(=O)c2ccc(cn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P03 compound treatment -0.26 -0.131 -0.19 0.141 0.212 0.42 0.161 0.211061435973353 0.406510062646442 0.3697 0.6031 3178763 Maybridge4_002445 CCOC(=O)c1sc(SC)c2C(=O)CC(Cc12)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P04 compound treatment -0.02 0.109 0.16 -0.167 -0.0956 -0.19 -0.017 0.033061435973353 0.0636772243433702 0.0176 0.0698 3178764 Maybridge4_002446 CCOC(=O)c1sc(Sc2ccc(cn2)C(F)(F)F)c3C(=O)CC(C)(C)Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P05 compound treatment 0.518 0.647 0.92 0.567 0.638 1.26 0.423 0.473061435973353 0.91112918419366 1.7853 0.9878 1299033 Maybridge4_002447 CS(=O)(=O)c1sc(C(=O)O)c2CCC=Cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P06 compound treatment 0.348 0.477 0.68 -0.292 -0.221 -0.44 -0.113 -0.062938564026647 -0.121221385078511 0.0705 0.0864 1436320 Maybridge4_002448 Cc1cc(C)n(n1)c2ncc(c(N)n2)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P07 compound treatment -0.258 -0.129 -0.18 -0.914 -0.843 -1.66 0.466 0.516061435973353 0.993948352997211 -0.4922 -0.2529 3178765 Maybridge4_002449 CSc1scc2CCc3cn(nc3-c12)C(=O)c4cccc(c4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P08 compound treatment -0.574 -0.445 -0.63 0.287 0.358 0.71 0.208 0.258061435973353 0.497033340175905 0.3306 0.3086 3178766 Maybridge4_002450 CS(=O)(=NC(=O)NC(=O)c1ccc(Cl)cc1)c2ccc(cn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P09 compound treatment 0.443 0.572 0.81 0.314 0.385 0.76 0.217 0.267061435973353 0.514367584809206 1.2062 0.9829 3064288 Maybridge4_002451 O=S(=O)(N1CCCCC1)c2ccc(s2)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P10 compound treatment -0.516 -0.387 -0.55 -0.184 -0.113 -0.22 -0.062 -0.011938564026647 -0.0229939988231368 -0.4589 -0.7735 3064289 Maybridge4_002452 COC(=O)c1cnc(S)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P11 compound treatment -1.078 -0.949 -1.35 -1.782 -1.71 -3.38 -1.642 -1.59193856402665 -3.06611694555827 -4.4989 -0.9458 3178767 Maybridge4_002453 FC(F)(F)c1cc(NC(=S)NC(=O)Oc2ccccc2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P12 compound treatment 0.304 0.433 0.62 -0.781 -0.71 -1.4 -0.479 -0.428938564026647 -0.826147333499434 -0.9301 -0.5348 3064290 Maybridge4_002454 Cc1ccc(SCC(=O)c2ccc(CC(=O)O)s2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P13 compound treatment -0.368 -0.239 -0.34 0.256 0.327 0.65 0.159 0.209061435973353 0.402658008283486 0.4099 0.4916 3178768 Maybridge4_002455 CS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P14 compound treatment -0.936 -0.807 -1.15 -0.662 -0.591 -1.17 -0.695 -0.644938564026647 -1.24216920469867 -2.0525 -0.9994 3064291 Maybridge4_002456 CN(C)/C=C/C(=O)c1ccc2OCCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P15 compound treatment -0.234 -0.105 -0.15 -0.324 -0.253 -0.5 -0.094 -0.043938564026647 -0.0846268686304306 -0.4226 -0.8016 3178769 Maybridge4_002457 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCc4c(Cl)cccc4Cl)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P16 compound treatment -0.44 -0.311 -0.44 -0.136 -0.0646 -0.13 0.19 0.240061435973353 0.462364850909302 -0.0616 -0.0945 3064292 Maybridge4_002458 CS(=O)(=O)CCSc1ncccc1C(=O)NCc2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P17 compound treatment -0.312 -0.183 -0.26 -0.562 -0.491 -0.97 -0.54 -0.489938564026647 -0.943634991569588 -1.2539 -0.9106 1476633 Maybridge4_002459 CCOC(=O)c1sc(N2CCCCC2)c3C(=O)CC(C)(C)Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P18 compound treatment -0.129 4.09E-4 0.0 0.179 0.25 0.49 -0.286 -0.235938564026647 -0.454424087474193 0.0235 0.0349 3064293 Maybridge4_002460 OC(=O)C1Cc2ccccc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P19 compound treatment 0.193 0.322 0.46 0.244 0.315 0.62 0.096 0.146061435973353 0.281318295850376 0.7867 0.956 3178770 Maybridge4_002461 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/Nc2cnccn2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P20 compound treatment -0.921 -0.792 -1.13 -0.04 0.0314 0.06 0.099 0.149061435973353 0.28709637739481 -0.4482 -0.3853 1356891 Maybridge4_002462 CCOC(=O)CC1Sc2ccccc2N=C1SCC(=O)Nc3ccc(Cl)cc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P21 compound treatment 0.235 0.364 0.52 -0.402 -0.331 -0.65 -0.16 -0.109938564026647 -0.211744662607974 -0.2 -0.2326 3064294 Maybridge4_002463 Clc1ccc(Sc2ccc(s2)c3ccccn3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P22 compound treatment -1.067 -0.938 -1.33 -0.07 0.00144 0.0 -0.3 -0.249938564026647 -0.481388468014885 -1.0459 -0.738 1623679 Maybridge4_002464 Cc1ccc(NC(=O)c2ccc3OCCc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P23 mock treatment 0.4 0.529 0.75 -0.119 -0.0476 -0.09 0.122 0.172061435973353 0.331395002568803 0.5717 0.6906 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2055 P24 mock treatment -0.273 -0.144 -0.2 -0.128 -0.0566 -0.11 -0.119 -0.068938564026647 -0.132777548167379 -0.259 -0.9667 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A01 compound treatment -0.471 -0.342 -0.49 0.071 0.142 0.28 -0.787 -0.736938564026647 -1.41936370539464 -0.9375 -0.6142 3179279 Maybridge4_002817 CCOC(=S)Nc1ccc(I)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A02 compound treatment 1.047 1.18 1.64 1.052 1.12 2.16 0.639 0.689061435973353 1.32715105539289 2.9602 0.9802 3179280 Maybridge4_002818 Cn1c(/C=C/C=C/N2CCCC2)nc3ccccc3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A03 compound treatment -1.607 -1.48 -2.1 -0.26 -0.189 -0.37 -0.071 -0.020938564026647 -0.0403282434564381 -1.4511 -0.68 3063974 Maybridge4_002819 CCCn1c(n[nH]c1=O)c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A04 compound treatment 0.396 0.525 0.75 0.435 0.506 1.0 0.324 0.374061435973353 0.720452493227345 1.4246 0.9885 3179380 Maybridge4_002820 CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(Cl)cc2)nc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A05 compound treatment -1.031 -0.902 -1.28 -0.102 -0.0306 -0.06 -1.1 -1.04993856402665 -2.02221021319723 -1.9424 -0.811 1487054 Maybridge4_002821 Cc1ccccc1S(=O)c2ccccc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A06 compound treatment -0.81 -0.681 -0.97 -0.396 -0.325 -0.64 -0.167 -0.116938564026647 -0.22522685287832 -1.0587 -0.8955 3064003 Maybridge4_002822 N(/C=N/c1ccc2ccccc2c1)c3ccc4ccccc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A07 compound treatment -0.333 -0.204 -0.29 0.16 0.231 0.46 0.173 0.223061435973353 0.429622388824177 0.3448 0.4991 1198685 Maybridge4_002823 CC(C)CC(NC(=O)Nc1cccc2ccccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A08 compound treatment -0.468 -0.339 -0.48 -0.155 -0.0836 -0.16 -0.049 0.00106143597335299 0.00204435453607635 -0.372 -0.731 3064005 Maybridge4_002824 FC(F)(F)c1ncncc1c2nnnn2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A09 compound treatment -0.237 -0.108 -0.15 -0.309 -0.238 -0.47 -0.165 -0.114938564026647 -0.221374798515364 -0.4869 -0.9005 3064006 Maybridge4_002825 CN(C)/C=C(\C(=S)c1ccccc1)/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A10 compound treatment -1.384 -1.25 -1.78 -1.082 -1.01 -2.0 -1.605 -1.55493856402665 -2.99485393984359 -3.911 -0.9737 3064007 Maybridge4_002826 Clc1ccc(O/C=C/C(=O)c2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A11 compound treatment 0.407 0.536 0.76 -0.176 -0.105 -0.21 -0.514 -0.463938564026647 -0.893558284851162 -0.1948 -0.1633 1652788 Maybridge4_002827 CN1C(=O)C(Cc2ccccc2)(Cc3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A12 compound treatment -0.044 0.0854 0.12 -1.949 -1.88 -3.71 -2.088 -2.03793856402665 -3.92512506849743 -4.3365 -0.803 3064008 Maybridge4_002828 O=c1[nH]c2ccccc2c(=O)n1CCNCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A13 compound treatment -0.317 -0.188 -0.27 -0.118 -0.0466 -0.09 0.0 0.050061435973353 0.096419686428495 -0.1514 -0.5078 3064009 Maybridge4_002829 C/C(=N\O)/C(=O)Nc1cccc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A14 compound treatment -1.407 -1.28 -1.82 -2.233 -2.16 -4.27 -0.938 -0.887938564026647 -1.7101938097978 -4.5003 -0.9103 3179381 Maybridge4_002830 Clc1ccc(/C=C(\C#N)/c2c[nH]c3ccccc23)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A15 compound treatment -1.21 -1.08 -1.54 0.049 0.12 0.24 0.025 0.075061435973353 0.144570365965443 -0.6663 -0.4267 3179382 Maybridge4_002831 O=C(/C=C\1/Nc2[nH]c(=S)[nH]c(=O)c2NC1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A16 compound treatment -1.125 -0.996 -1.42 -1.888 -1.82 -3.59 -1.358 -1.30793856402665 -2.51912522601854 -4.3425 -0.9428 3064010 Maybridge4_002832 FC(F)(F)c1ccc(/C=C(\C#N)/c2cn(C(=O)C3CCC3)c4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A17 compound treatment -0.329 -0.2 -0.28 -0.194 -0.123 -0.24 0.133 0.183061435973353 0.35258130156506 -0.1 -0.1948 1477955 Maybridge4_002833 Cc1c(O)c(C(=O)c2nn[nH]n2)c(=O)n(c3ccccc3)c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A18 compound treatment -0.698 -0.569 -0.81 -0.277 -0.206 -0.41 -0.028 0.022061435973353 0.0424909253471129 -0.6765 -0.7471 1152993 Maybridge4_002834 COc1ccc(CC(=O)NN2C(=O)CSCC2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A19 compound treatment -2.043 -1.91 -2.72 -1.278 -1.21 -2.38 -0.752 -0.701938564026647 -1.35195275404291 -3.7268 -0.9653 3179383 Maybridge4_002835 O=C(C/C(=C\1/CCc2ccccc2C1=O)/c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A20 compound treatment -0.827 -0.698 -0.99 -0.18 -0.109 -0.21 -0.466 -0.415938564026647 -0.801108980140221 -1.1589 -0.8964 3179384 Maybridge4_002836 CC1CC(CC(C)(C)C1)NC(=S)NCc2csc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A21 compound treatment -0.382 -0.253 -0.36 -0.127 -0.0556 -0.11 -0.125 -0.074938564026647 -0.144333711256246 -0.354 -0.88 1438428 Maybridge4_002837 CC12CCC3C(CC=C4CC(O)CCC34CO)C2CCC1OC(=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A22 compound treatment -1.412 -1.28 -1.82 -0.463 -0.392 -0.77 -0.63 -0.579938564026647 -1.1169774379026 -2.1441 -0.9429 3179385 Maybridge4_002838 CC(=O)Nc1ccc(cc1)C2=N/C(=C/c3cn(C(=O)C)c4ccccc34)/C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A23 mock treatment -0.636 -0.507 -0.72 0.018 0.0894 0.18 0.233 0.283061435973353 0.545184019712853 9.0E-4 0.001 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 A24 mock treatment -1.308 -1.18 -1.68 -0.033 0.0384 0.08 0.088 0.138061435973353 0.265910078398553 -0.7701 -0.4535 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B01 compound treatment -1.282 -1.15 -1.64 -0.81 -0.739 -1.46 -0.087 -0.036938564026647 -0.071144678360085 -1.8291 -0.8334 1595249 Maybridge4_002839 COc1ccc(cc1)C2C(C(=O)O)c3ccccc3C(=O)N2Cc4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B02 compound treatment -0.629 -0.5 -0.71 -0.386 -0.315 -0.62 -0.321 -0.270938564026647 -0.521835038825921 -1.07 -0.9923 3064011 Maybridge4_002840 FC(F)(F)c1nnc(Nc2cccnc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B03 compound treatment -1.975 -1.85 -2.62 -0.07 0.00144 0.0 -1.174 -1.12393856402665 -2.1647362246266 -2.7632 -0.8123 1011958 Maybridge4_002841 CC(=O)Nc1ccc(Cc2ccc(NC(=O)C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B04 compound treatment -0.618 -0.489 -0.69 -0.266 -0.195 -0.38 -0.054 -0.003938564026647 -0.0075857813713133 -0.6272 -0.7901 3179386 Maybridge4_002842 O=C1N(C2CCCCC2)/C(=N/C3CCCCC3)/SC41CC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B05 compound treatment -0.803 -0.674 -0.96 -0.797 -0.726 -1.43 -0.181 -0.130938564026647 -0.252191233419011 -1.5257 -0.876 3064012 Maybridge4_002843 CS/C(=N\C#N)/N=c\1/nc(SC)n(C)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B06 compound treatment -0.764 -0.635 -0.9 0.105 0.176 0.35 -0.173 -0.122938564026647 -0.236783015967187 -0.4565 -0.4584 3179387 Maybridge4_002844 Cc1cc(S)nc(n1)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B07 compound treatment -1.394 -1.26 -1.8 -1.354 -1.28 -2.53 -0.18 -0.129938564026647 -0.250265206237533 -2.6447 -0.8488 3064013 Maybridge4_002845 Cc1csc(Nc2c(C)cccc2C)[n+]1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B08 compound treatment -0.25 -0.121 -0.17 0.241 0.312 0.62 -0.077 -0.026938564026647 -0.0518844065453057 0.2272 0.3537 3179388 Maybridge4_002846 Cc1nc(nc(NCCNc2cc(ccn2)C(F)(F)F)c1Cl)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B09 compound treatment -0.505 -0.376 -0.53 -0.155 -0.0836 -0.16 -0.135 -0.084938564026647 -0.163593983071026 -0.498 -0.8552 3064014 Maybridge4_002847 Clc1ccc(/C=C(\C#N)/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B10 compound treatment -1.235 -1.11 -1.57 -0.545 -0.474 -0.94 -1.042 -0.991938564026647 -1.91050063667151 -2.5504 -0.9643 1673007 Maybridge4_002848 COc1ccc(CCNC(=O)C(Sc2ccc(Cl)cc2)c3ccccc3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B11 compound treatment 0.289 0.418 0.59 -0.59 -0.519 -1.02 -0.974 -0.923938564026647 -1.77953078833101 -1.2751 -0.5965 1278976 Maybridge4_002849 CSc1nc2ccccc2c(=O)n1CCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B12 compound treatment 0.185 0.314 0.45 -0.45 -0.379 -0.75 -0.514 -0.463938564026647 -0.893558284851162 -0.6894 -0.5525 3179389 Maybridge4_002850 CCOC(=O)/C(=N\O)/C1=CSC2=NNC(C)(C)N12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B13 compound treatment -0.903 -0.774 -1.1 -0.847 -0.776 -1.53 -0.486 -0.435938564026647 -0.83962952376978 -2.0039 -0.9709 1697626 Maybridge4_002851 Oc1ccccc1C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B14 compound treatment 0.148 0.277 0.39 -0.108 -0.0366 -0.07 0.075 0.125061435973353 0.24087172503934 0.3251 0.695 1029066 Maybridge4_002852 OC(Cc1cccnc1)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B15 compound treatment -1.278 -1.15 -1.63 -0.407 -0.336 -0.66 -0.412 -0.361938564026647 -0.697103512340413 -1.7278 -0.9117 3179390 Maybridge4_002853 Cn/1c(cs\c1=N/C(=S)NCCc2ccccc2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B16 compound treatment -0.062 0.0674 0.1 0.016 0.0874 0.17 0.0 0.050061435973353 0.096419686428495 0.2107 0.9587 1414388 Maybridge4_002854 Cc1ccc2onc(OC(=O)NC(C)(C)C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B17 compound treatment -0.909 -0.78 -1.11 -0.681 -0.61 -1.2 -0.067 -0.016938564026647 -0.0326241347305264 -1.3537 -0.8272 3064015 Maybridge4_002855 CS/C(=N\c1ccc(Cl)cc1)/N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B18 compound treatment -0.021 0.108 0.15 0.119 0.19 0.38 -0.051 -9.38564026647E-4 -0.0018076998268795 0.305 0.7506 1450668 Maybridge4_002856 CNC(=O)Nc1cccc(c1)c2cc(no2)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B19 compound treatment -0.213 -0.0836 -0.12 0.611 0.682 1.35 0.295 0.345061435973353 0.664597704964485 1.0931 0.7252 1567287 Maybridge4_002857 COc1cc(CSc2nnnn2c3ccc(C)cc3C)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B20 compound treatment -0.464 -0.335 -0.48 -0.213 -0.142 -0.28 0.104 0.154061435973353 0.2967265133022 -0.2647 -0.4225 1505699 Maybridge4_002858 COC(=O)c1c(NC(=O)N(C)C)onc1c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B21 compound treatment -0.667 -0.538 -0.76 -1.082 -1.01 -2.0 -1.037 -0.986938564026647 -1.90087050076412 -2.6908 -0.9409 1506761 Maybridge4_002859 NCCSC(=S)NC1CCCCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B22 compound treatment 0.022 0.151 0.22 -0.209 -0.138 -0.27 -0.294 -0.243938564026647 -0.469832304926017 -0.3038 -0.5203 3064016 Maybridge4_002860 CN(C)/C=N/C1NC(=O)N(C)C(=N1)C2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B23 mock treatment 0.128 0.257 0.37 0.047 0.118 0.23 0.075 0.125061435973353 0.24087172503934 0.4854 0.9773 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 B24 mock treatment -0.045 0.0844 0.12 -0.016 0.0554 0.11 -0.113 -0.062938564026647 -0.121221385078511 0.0625 0.3084 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C01 compound treatment -0.811 -0.682 -0.97 -0.262 -0.191 -0.38 -0.507 -0.456938564026647 -0.880076094580816 -1.2848 -0.9433 1030385 Maybridge4_002861 S=C(NC1CCCCC1)C(=S)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C02 compound treatment -0.677 -0.548 -0.78 -0.333 -0.262 -0.52 -0.585 -0.534938564026647 -1.0303062147361 -1.3425 -0.9653 3064017 Maybridge4_002862 Clc1ccc(cc1)C(=O)c2[n+]([N-]C#N)ccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C03 compound treatment -0.524 -0.395 -0.56 0.031 0.102 0.2 0.092 0.142061435973353 0.273614187124465 -0.0492 -0.0749 3179391 Maybridge4_002863 CCCn1c(n[nH]c1=O)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C04 compound treatment -0.87 -0.741 -1.05 -0.5 -0.429 -0.85 -0.703 -0.652938564026647 -1.25757742215049 -1.8225 -0.9875 3064018 Maybridge4_002864 O=C(/C=C/Sc1ccccn1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C05 compound treatment -0.692 -0.563 -0.8 -0.067 0.00444 0.01 -0.169 -0.118938564026647 -0.229078907241275 -0.589 -0.7079 3179392 Maybridge4_002865 CCNS(=O)(=O)c1ccc(Cl)cc1I 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C06 compound treatment -0.437 -0.308 -0.44 -0.042 0.0294 0.06 -0.086 -0.035938564026647 -0.0692186511786071 -0.2589 -0.5797 3064054 Maybridge4_002866 CC1C(O/C(=N\S(=O)(=O)c2ccc(Cl)cc2)/N1C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C07 compound treatment 0.045 0.174 0.25 0.143 0.214 0.42 0.032 0.082061435973353 0.158052556235789 0.4789 0.9289 1049317 Maybridge4_002867 OC(=O)CCNC(=O)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C08 compound treatment -0.31 -0.181 -0.26 -0.212 -0.141 -0.28 -0.078 -0.027938564026647 -0.0538104337267837 -0.3395 -0.8891 3064055 Maybridge4_002868 Oc1c([I+]c2ccccc2)c(=O)[nH]c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C09 compound treatment 0.059 0.188 0.27 0.162 0.233 0.46 0.253 0.303061435973353 0.583704563342412 0.7578 0.9586 3064056 Maybridge4_002869 N#CC(Cc1ccccc1)(Cc2ccccc2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C10 compound treatment -0.315 -0.186 -0.26 0.069 0.14 0.28 0.013 0.063061435973353 0.121458039787708 0.0779 0.1939 1357025 Maybridge4_002870 CC1(C)c2cc(Cl)ccc2-n3c1cc(O)c(c4ccccc4)c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C11 compound treatment -1.278 -1.15 -1.63 -0.855 -0.784 -1.55 -1.091 -1.04093856402665 -2.00487596856393 -2.9936 -0.9935 1019915 Maybridge4_002871 Cc1ccc(cc1)C(O)c2nccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C12 compound treatment 0.0 0.129 0.18 0.167 0.238 0.47 0.0 0.050061435973353 0.096419686428495 0.4337 0.8428 3064058 Maybridge4_002872 O/N=C/C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C13 compound treatment -0.075 0.0544 0.08 -0.2 -0.129 -0.25 -0.015 0.035061435973353 0.067529278706326 -0.0629 -0.2297 3064059 Maybridge4_002873 CC(C)/C(=N/O)/c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C14 compound treatment -0.695 -0.566 -0.8 -0.06 0.0114 0.02 -0.447 -0.396938564026647 -0.76451446369214 -0.8926 -0.8043 1733383 Maybridge4_002874 CCCCC1(CO)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C15 compound treatment 1.42 1.55 1.84 -0.662 -0.591 -1.17 -0.317 -0.266938564026647 -0.514130930100009 0.0897 0.0401 1134906 Maybridge4_002875 NC(=O)NC1C(Oc2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C16 compound treatment -1.145 -1.02 -1.44 -0.37 -0.299 -0.59 -0.044 0.006061435973353 0.011674490443466 -1.1673 -0.7484 1708436 Maybridge4_002876 CSc1[nH]nc(NS(=O)(=O)c2ccc(Cl)cc2)c1c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C17 compound treatment -0.97 -0.841 -1.2 -0.695 -0.624 -1.23 -0.517 -0.466938564026647 -0.899336366395596 -1.9201 -0.9911 1325632 Maybridge4_002877 CCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C18 compound treatment 1.922 2.05 2.03 2.0 2.07 2.78 0.428 0.478061435973353 0.92075932010105 3.3076 0.9287 3179393 Maybridge4_002878 O=C1NCCN1CC/N=C/c2ccc(C#N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C19 compound treatment 0.127 0.256 0.36 0.28 0.351 0.69 0.015 0.065061435973353 0.125310094150664 0.6835 0.861 3064061 Maybridge4_002879 c1c2ccccc2c3ccc(oc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C20 compound treatment -0.512 -0.383 -0.54 -0.198 -0.127 -0.25 0.127 0.177061435973353 0.341025138476192 -0.2614 -0.3795 1357662 Maybridge4_002880 CC(C)c1ccc(NN2C(=O)CC(C2=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C21 compound treatment -0.912 -0.783 -1.11 -0.043 0.0284 0.06 -0.63 -0.579938564026647 -1.1169774379026 -1.2549 -0.7954 1704922 Maybridge4_002881 COc1cc(C)c2C3CCC4(C)C(O)CCC4C3CCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C22 compound treatment -0.662 -0.533 -0.76 0.183 0.254 0.5 -0.469 -0.418938564026647 -0.806887061684655 -0.613 -0.5044 1187010 Maybridge4_002882 Fc1ccc(C(=O)OCCn2ncc3ccccc3c2=O)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C23 mock treatment -0.388 -0.259 -0.37 -0.409 -0.338 -0.67 -0.646 -0.595938564026647 -1.14779387280625 -1.2598 -0.9147 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 C24 mock treatment 0.456 0.585 0.83 -0.056 0.0154 0.03 -0.06 -0.009938564026647 -0.0191419444601809 0.4871 0.5847 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D01 compound treatment -1.157 -1.03 -1.46 0.215 0.286 0.57 -0.016 0.034061435973353 0.0656032515248481 -0.4791 -0.3055 1248994 Maybridge4_002883 CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)CSCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D02 compound treatment -0.653 -0.524 -0.74 -0.085 -0.0136 -0.03 0.082 0.132061435973353 0.254353915309685 -0.2984 -0.3791 3064062 Maybridge4_002884 Cc1ccc(/N=C/2\SC3(CC3)C(=O)N2c4ccc(C)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D03 compound treatment -1.04 -0.911 -1.29 -0.714 -0.643 -1.27 -0.259 -0.208938564026647 -0.402421353574289 -1.7123 -0.9222 3179394 Maybridge4_002885 Clc1cccc(c1)/C(=C/C=C/c2ccccc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D04 compound treatment -0.469 -0.34 -0.48 -0.186 -0.115 -0.23 0.129 0.179061435973353 0.344877192839148 -0.2102 -0.3311 3064063 Maybridge4_002886 Clc1cccc(/N=C/2\SC3(CC3)C(=O)N2c4cccc(Cl)c4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D05 compound treatment -0.147 -0.0176 -0.03 -0.086 -0.0146 -0.03 0.079 0.129061435973353 0.248575833765252 0.1125 0.4473 3179395 Maybridge4_002887 CCc1nn(C)c2c(=O)c(=O)c2n(C)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D06 compound treatment -0.067 0.0624 0.09 0.21 0.281 0.56 -0.239 -0.188938564026647 -0.363900809944731 0.162 0.2417 3064064 Maybridge4_002888 CC1=NNC(=O)C1Oc2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D07 compound treatment 0.371 0.5 0.71 -0.221 -0.15 -0.3 0.085 0.135061435973353 0.260131996854119 0.3905 0.4802 3179396 Maybridge4_002889 CSC(=N)Nc1c(Cl)cccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D08 compound treatment -0.221 -0.0916 -0.13 -0.203 -0.132 -0.26 -0.529 -0.478938564026647 -0.922448692573331 -0.7577 -0.7835 3179397 Maybridge4_002890 Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D09 compound treatment 0.362 0.491 0.7 0.149 0.22 0.44 -0.149 -0.098938564026647 -0.190558363611717 0.5447 0.6446 3064065 Maybridge4_002891 Cc1cc(O)nc(SCC(=O)c2ccc(F)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D10 compound treatment 0.035 0.164 0.23 0.402 0.473 0.93 -0.149 -0.098938564026647 -0.190558363611717 0.5647 0.5749 1513804 Maybridge4_002892 CCOC(=O)c1c(C)c(ccc1N(C)C)C2NC(=O)NC=C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D11 compound treatment -0.5 -0.371 -0.53 -1.225 -1.15 -2.28 -0.618 -0.567938564026647 -1.09386511172487 -2.2508 -0.872 3064066 Maybridge4_002893 O=C(CSc1nc2ccccc2c(=O)n1Cc3ccco3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D12 compound treatment -0.167 -0.0376 -0.05 -0.902 -0.831 -1.64 -0.618 -0.567938564026647 -1.09386511172487 -1.6092 -0.816 3179501 Maybridge4_002894 CC(C)(C)c1ccc(cc1)/C(=N/O)/N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D13 compound treatment -0.894 -0.765 -1.09 -0.321 -0.25 -0.49 -0.098 -0.047938564026647 -0.0923309773563423 -0.9654 -0.8065 1669360 Maybridge4_002895 Clc1ccc(cc1)C(=O)Nc2cc(Cl)ccc2C(=O)OCC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D14 compound treatment -0.422 -0.293 -0.42 -0.373 -0.302 -0.6 -0.034 0.016061435973353 0.0309347622582453 -0.5661 -0.7786 3064067 Maybridge4_002896 CC(C)Nc1nc(cc(c1C#N)C(F)(F)F)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D15 compound treatment -0.354 -0.225 -0.32 0.271 0.342 0.68 0.074 0.124061435973353 0.238945697857862 0.344 0.4382 3064068 Maybridge4_002897 S=C(NC1CCCCC1)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D16 compound treatment -0.143 -0.0136 -0.02 -0.212 -0.141 -0.28 0.292 0.342061435973353 0.658819623420051 0.209 0.2922 1715674 Maybridge4_002898 CN(C)c1nc(cc2C(=O)NC(=O)c21)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D17 compound treatment -1.431 -1.3 -1.85 -1.452 -1.38 -2.73 -1.203 -1.15293856402665 -2.22059101288946 -3.9243 -0.9877 3064069 Maybridge4_002899 CN(C)/C(=N/c1cc(C)c(C)cc1C)/NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D18 compound treatment -0.241 -0.112 -0.16 -0.8 -0.729 -1.44 -0.114 -0.063938564026647 -0.123147412259989 -0.9933 -0.6838 3179502 Maybridge4_002900 COc1ccc(/N=c/2\scc(C)n2C(=O)c3ccccc3Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D19 compound treatment 0.417 0.546 0.78 -0.381 -0.31 -0.61 -0.556 -0.505938564026647 -0.974451426473235 -0.467 -0.3364 1153907 Maybridge4_002901 COc1ccc(OCC(O)CNC(C)(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D20 compound treatment -0.183 -0.0536 -0.08 -0.472 -0.401 -0.79 -0.174 -0.123938564026647 -0.238709043148665 -0.6384 -0.7695 3064070 Maybridge4_002902 Clc1cccc(Cl)c1c2cc(on2)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D21 compound treatment 0.25 0.379 0.54 -0.203 -0.132 -0.26 -0.097 -0.046938564026647 -0.0904049501748644 0.1093 0.1805 1636805 Maybridge4_002903 Brc1ccc(OCC2CN(C(=O)O2)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D22 compound treatment -0.314 -0.185 -0.26 -0.239 -0.168 -0.33 -0.5 -0.449938564026647 -0.866593904310471 -0.8429 -0.8743 3064071 Maybridge4_002904 CC(C)c1nc(/N=C/N(C)C)nc(=O)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D23 mock treatment -0.369 -0.24 -0.34 -0.012 0.0594 0.12 0.088 0.138061435973353 0.265910078398553 0.0246 0.055 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 D24 mock treatment -0.863 -0.734 -1.04 -0.277 -0.206 -0.41 -0.125 -0.074938564026647 -0.144333711256246 -0.9198 -0.8151 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E01 compound treatment -0.149 -0.0196 -0.03 0.073 0.144 0.29 0.045 0.095061435973353 0.183090909595002 0.2543 0.7478 3179503 Maybridge4_002905 O=C(CSc1ccccn1)Nc2ccccc2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E02 compound treatment 0.028 0.157 0.22 -0.14 -0.0686 -0.14 -0.108 -0.057938564026647 -0.111591249171122 -0.0134 -0.047 3179504 Maybridge4_002906 N#CC1(N=C2C=CC=CN2N=C1c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E03 compound treatment 1.371 1.5 1.81 1.149 1.22 2.25 -0.071 -0.020938564026647 -0.0403282434564381 2.3219 0.8037 3064072 Maybridge4_002907 O=C1OC2(CCCCC2)OC(=O)C1=Cc3ccoc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E04 compound treatment -0.046 0.0834 0.12 0.355 0.426 0.84 0.193 0.243061435973353 0.468142932453736 0.8249 0.8498 3179505 Maybridge4_002908 FC(F)(F)c1cc(nc(S/C=C/C(=O)c2ccccc2)c1C#N)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E05 compound treatment 0.177 0.306 0.44 0.382 0.453 0.9 -0.188 -0.137938564026647 -0.265673423689356 0.615 0.5968 3064073 Maybridge4_002909 CNS(=O)(=O)c1ccc(Br)cc1I 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E06 compound treatment -0.463 -0.334 -0.47 0.522 0.593 1.17 0.013 0.063061435973353 0.121458039787708 0.4728 0.3723 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E07 compound treatment -0.032 0.0974 0.14 0.213 0.284 0.56 0.084 0.134061435973353 0.258205969672641 0.5533 0.8734 1547193 Maybridge4_002911 CCNS(=O)(=O)c1cccc2c(N)cccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E08 compound treatment -0.427 -0.298 -0.42 -0.185 -0.114 -0.22 0.0 0.050061435973353 0.096419686428495 -0.3181 -0.6512 1448662 Maybridge4_002912 CCc1c(O)c(Cc2ccccc2)c(=O)n(c3nccs3)c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E09 compound treatment -0.099 0.0304 0.04 -0.483 -0.412 -0.81 -0.524 -0.473938564026647 -0.912818556665941 -0.9712 -0.7942 3179507 Maybridge4_002913 CCOC(=O)C(C#N)C1(C(=NN(C1=O)c2ccccc2)C)c3c(C)nn(c3O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E10 compound treatment -0.839 -0.71 -1.01 -0.629 -0.558 -1.1 -1.123 -1.07293856402665 -2.06650883837122 -2.4112 -0.9457 3064074 Maybridge4_002914 Fc1ccc(cc1)C(=O)/C=C/S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E11 compound treatment 0.316 0.445 0.63 -0.596 -0.525 -1.04 -0.472 -0.421938564026647 -0.812665143229089 -0.7016 -0.4802 1495930 Maybridge4_002915 CC(C)C(OC(=O)c1ccccc1)c2nccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E12 compound treatment -0.044 0.0854 0.12 0.0 0.0714 0.14 0.029 0.079061435973353 0.152274474691355 0.2395 0.9958 1260619 Maybridge4_002916 COC(=O)c1sc2c(C)cc(Cl)c(C)c2c1C(=O)Oc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E13 compound treatment -0.811 -0.682 -0.97 -0.444 -0.373 -0.74 -0.075 -0.024938564026647 -0.0480323521823499 -1.0119 -0.8311 1268159 Maybridge4_002917 CCn1c(=O)cc(O)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E14 compound treatment -0.08 0.0494 0.07 0.655 0.726 1.43 0.24 0.290061435973353 0.558666209983199 1.1912 0.7731 1134720 Maybridge4_002918 CCCCC1(COC(=O)c2ccc(OC)cc2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E15 compound treatment -0.204 -0.0746 -0.11 -0.174 -0.103 -0.2 -0.052 -0.001938564026647 -0.00373372700835743 -0.1803 -0.7886 3063981 Maybridge4_002919 Clc1cc(Cl)c2c(=O)cc(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E16 compound treatment -0.59 -0.461 -0.65 -0.068 0.00344 0.01 -0.585 -0.534938564026647 -1.0303062147361 -0.969 -0.7937 3063982 Maybridge4_002920 O=C(CSc1nc(SCC(=O)c2ccccc2)c3ccccc3n1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E17 compound treatment -2.545 -2.42 -3.43 -2.341 -2.27 -4.48 -2.373 -2.32293856402665 -4.47404281521864 -7.1532 -0.993 1617223 Maybridge4_002921 Oc1c(Cc2ccccc2)c(=O)n3c4ccccc4c5cccc1c53 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E18 compound treatment -1.186 -1.06 -1.5 -0.822 -0.751 -1.48 -0.732 -0.681938564026647 -1.31343221041335 -2.4813 -0.9983 3063983 Maybridge4_002922 Clc1ccc(CCN2C(=O)CSC2=S)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E19 compound treatment 0.5 0.629 0.89 0.962 1.03 2.04 0.204 0.254061435973353 0.489329231449993 1.9773 0.8668 3179508 Maybridge4_002923 CCc1c(C)oc2cc3ccccc3c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E20 compound treatment -0.275 -0.146 -0.21 -0.769 -0.698 -1.38 -0.198 -0.147938564026647 -0.284933695504136 -1.0792 -0.7591 1212790 Maybridge4_002924 O=C(CSc1nc2ccccc2c(=O)[nH]1)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E21 compound treatment -0.529 -0.4 -0.57 0.138 0.209 0.41 -0.066 -0.015938564026647 -0.0306981075490485 -0.107 -0.1521 3179509 Maybridge4_002925 CC(OC(=O)C)C1CCC2C3CC[C@H]4CC(=O)CCC4(C)C3CCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E22 compound treatment -0.91 -0.781 -1.11 -0.352 -0.281 -0.55 -0.59 -0.539938564026647 -1.03993635064348 -1.561 -0.9644 1296117 Maybridge4_002926 O=C(OCCn1ncc2ccccc2c1=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E23 mock treatment -1.641 -1.51 -2.15 0.172 0.243 0.48 0.137 0.187061435973353 0.360285410290972 -0.7553 -0.3385 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 E24 mock treatment -0.088 0.0414 0.06 -0.05 0.0214 0.04 0.043 0.093061435973353 0.179238855232046 0.1619 0.8374 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F01 compound treatment -0.597 -0.468 -0.66 -0.368 -0.297 -0.59 -0.07 -0.019938564026647 -0.0384022162749602 -0.7441 -0.8391 1646144 Maybridge4_002927 CCCCC1(CN2CCN(Cc3ccccc3)CC2)C(=O)N(N(C1=O)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F02 compound treatment -0.795 -0.666 -0.95 -0.48 -0.409 -0.81 -0.207 -0.156938564026647 -0.302267940137437 -1.1866 -0.9273 1353488 Maybridge4_002928 OC(COc1ccc(F)cc1)CS(=O)(=O)Cc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F03 compound treatment 0.138 0.267 0.38 -0.406 -0.335 -0.66 -0.299 -0.248938564026647 -0.479462440833407 -0.4387 -0.4872 3064021 Maybridge4_002929 CCc1ccc(cc1)/C(=C/C=C/c2ccccc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F04 compound treatment -1.067 -0.938 -1.33 -0.733 -0.662 -1.31 -0.562 -0.511938564026647 -0.986007589562103 -2.0931 -0.9916 1107774 Maybridge4_002930 Fc1ccc(NC(=S)C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F05 compound treatment -1.077 -0.948 -1.35 -0.879 -0.808 -1.59 -0.397 -0.346938564026647 -0.668213104618244 -2.0842 -0.9509 1733993 Maybridge4_002931 CCc1cccc(CC)c1NC(=S)Nc2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F06 compound treatment 0.387 0.516 0.73 -0.175 -0.104 -0.2 -0.266 -0.215938564026647 -0.415903543844635 0.0657 0.0757 3179510 Maybridge4_002932 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3=NCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F07 compound treatment -1.0 -0.871 -1.24 -1.25 -1.18 -2.33 -0.859 -0.808938564026647 -1.55803766246105 -2.9577 -0.966 3064024 Maybridge4_002933 Cc1cccc(Cl)c1NC(=S)NC(Cc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F08 compound treatment 0.246 0.375 0.53 0.107 0.178 0.35 0.103 0.153061435973353 0.294800486120722 0.6818 0.9681 1491434 Maybridge4_002934 C1CN(CCO1)c2nc(ns2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F09 compound treatment 0.08 0.209 0.3 -0.138 -0.0666 -0.13 0.263 0.313061435973353 0.602964835157191 0.4441 0.6482 1641045 Maybridge4_002935 CC(C)(CO)NC(=S)NCC1CCCO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F10 compound treatment 0.28 0.409 0.58 -0.37 -0.299 -0.59 -0.216 -0.165938564026647 -0.319602184770738 -0.1888 -0.2126 3179511 Maybridge4_002936 O/N=C/c1c(F)cccc1F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F11 compound treatment 0.405 0.534 0.76 -0.836 -0.765 -1.51 -1.383 -1.33293856402665 -2.56727590555548 -1.9151 -0.6231 3179512 Maybridge4_002937 Sc1nc2ccccc2c(=O)n1c3ccc(Cl)c(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F12 compound treatment -0.855 -0.726 -1.03 0.032 0.103 0.2 0.113 0.163061435973353 0.314060757935501 -0.2964 -0.27 3064025 Maybridge4_002938 Cc1cc(nn1c2ccccc2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F13 compound treatment -1.016 -0.887 -1.26 -0.596 -0.525 -1.04 -0.421 -0.370938564026647 -0.714437756973714 -1.7382 -0.976 3064027 Maybridge4_002939 Clc1ccc(cc1)C(=O)COC(=O)c2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F14 compound treatment -0.633 -0.504 -0.72 -0.216 -0.145 -0.29 -0.316 -0.265938564026647 -0.512204902918531 -0.8739 -0.9443 3179513 Maybridge4_002940 CC(C)Sc1nc(cc(c1C#N)C(F)(F)F)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F15 compound treatment -2.725 -2.6 -3.69 -2.578 -2.51 -4.95 -1.667 -1.61693856402665 -3.11426762509522 -6.7861 -0.9814 3179514 Maybridge4_002941 CCOC(=O)c1ccc(NC(=N)SCc2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F16 compound treatment -0.429 -0.3 -0.43 -0.262 -0.191 -0.38 -0.237 -0.186938564026647 -0.360048755581775 -0.671 -0.9974 3064028 Maybridge4_002942 Cc1onc(c1N)c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F17 compound treatment -0.886 -0.757 -1.08 -1.0 -0.929 -1.83 0.058 0.108061435973353 0.208129262954215 -1.5594 -0.7301 3064029 Maybridge4_002943 Cc1cc(C)c(NC(=N)NN)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F18 compound treatment 0.021 0.15 0.21 -0.253 -0.182 -0.36 -0.693 -0.642938564026647 -1.23831715033571 -0.7985 -0.611 3179515 Maybridge4_002944 COC(=O)c1c(noc1C(=O)NN)c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F19 compound treatment -0.402 -0.273 -0.39 -0.187 -0.116 -0.23 0.069 0.119061435973353 0.229315561950472 -0.2231 -0.4419 1249379 Maybridge4_002945 COc1c(Cl)cccc1c2cn3ccc(C)cc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F20 compound treatment 0.234 0.363 0.52 0.123 0.194 0.38 0.16 0.210061435973353 0.404584035464964 0.7536 0.9911 1721352 Maybridge4_002946 Oc1nsc(Nc2ccccc2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F21 compound treatment -0.24 -0.111 -0.16 -0.283 -0.212 -0.42 0.202 0.252061435973353 0.485477177087037 -0.0517 -0.0783 1132779 Maybridge4_002947 COc1ccc(COCC(O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F22 compound treatment 0.124 0.253 0.36 -0.153 -0.0816 -0.16 -0.157 -0.106938564026647 -0.20596658106354 -0.0039 -0.0087 3064075 Maybridge4_002948 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F23 mock treatment 0.186 0.315 0.45 0.0 0.0714 0.14 -0.012 0.038061435973353 0.0733073602507598 0.3827 0.8043 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 F24 mock treatment 0.092 0.221 0.31 0.016 0.0874 0.17 0.123 0.173061435973353 0.333321029750281 0.4739 0.9673 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G01 compound treatment -1.173 -1.04 -1.48 -0.908 -0.837 -1.65 -0.582 -0.531938564026647 -1.02452813319166 -2.4018 -0.9822 1511541 Maybridge4_002949 Fc1ccc(NC(=O)C(=S)NC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G02 compound treatment -0.315 -0.186 -0.26 -0.132 -0.0606 -0.12 -0.11 -0.059938564026647 -0.115443303534077 -0.288 -0.9236 1391130 Maybridge4_002950 Clc1ccc(Nc2nnc3c4ccccc4c5ccccc5c3n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G03 compound treatment -0.614 -0.485 -0.69 -0.365 -0.294 -0.58 -0.213 -0.162938564026647 -0.313824103226304 -0.9136 -0.9582 3179516 Maybridge4_002951 CC1C(=NN(C1=O)c2ccccc2)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G04 compound treatment -0.948 -0.819 -1.16 -0.301 -0.23 -0.45 -0.184 -0.133938564026647 -0.257969314963444 -1.0826 -0.8488 3179517 Maybridge4_002952 Cc1ccc2[nH]c(S/C=C/C(=O)c3ccccc3)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G05 compound treatment -0.862 -0.733 -1.04 -0.15 -0.0786 -0.16 -0.3 -0.249938564026647 -0.481388468014885 -0.9688 -0.8367 1247714 Maybridge4_002953 CNS(=O)(=O)c1c(I)ccc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G06 compound treatment 0.13 0.259 0.37 -0.724 -0.653 -1.29 -0.209 -0.158938564026647 -0.306119994500393 -0.7077 -0.5148 3179612 Maybridge4_002954 CC(=O)N1[C@H](SC(C)(C)[C@@H]1C(=O)O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G07 compound treatment -0.216 -0.0866 -0.12 -0.012 0.0594 0.12 0.044 0.094061435973353 0.181164882413524 0.1013 0.4075 1286617 Maybridge4_002955 COc1cc2OC(C)(C)CC(=O)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G08 compound treatment -0.129 4.09E-4 0.0 -0.281 -0.21 -0.41 0.081 0.131061435973353 0.252427888128207 -0.0928 -0.1915 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G09 compound treatment -0.173 -0.0436 -0.06 -1.145 -1.07 -2.12 0.566 0.616061435973353 1.186551071145 -0.5746 -0.2364 3064077 Maybridge4_002957 OC(=O)CCc1n[nH]c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G10 compound treatment 0.119 0.248 0.35 0.21 0.281 0.56 0.188 0.238061435973353 0.458512796546346 0.7895 0.9839 3064078 Maybridge4_002958 Cc1c(cnn1c2ccccc2)c3nnnn3c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G11 compound treatment -0.219 -0.0896 -0.13 -0.737 -0.666 -1.31 -0.9 -0.849938564026647 -1.63700477690164 -1.7774 -0.8451 3179614 Maybridge4_002959 O=S(CC#N)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G12 compound treatment -0.224 -0.0946 -0.13 -0.333 -0.262 -0.52 -0.343 -0.292938564026647 -0.564207636818436 -0.7016 -0.9034 3179615 Maybridge4_002960 FC(F)(F)c1cccc(OC(=O)c2cc3ccc4ccccc4c3s2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G13 compound treatment -0.774 -0.645 -0.92 -0.176 -0.105 -0.21 -0.231 -0.180938564026647 -0.348492592492907 -0.8495 -0.8478 3064081 Maybridge4_002961 CC(C)CC(C(O)c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G14 compound treatment -0.167 -0.0376 -0.05 0.442 0.513 1.01 0.174 0.224061435973353 0.431548416005655 0.8036 0.7285 1388837 Maybridge4_002962 CCCCC1(COC(=O)Nc2cccc(Cl)c2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G15 compound treatment -0.1 0.0294 0.04 0.0 0.0714 0.14 0.267 0.317061435973353 0.610668943883103 0.4581 0.7294 3064082 Maybridge4_002963 NC1=NC(C(N1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G16 compound treatment -0.544 -0.415 -0.59 -0.19 -0.119 -0.23 -0.667 -0.616938564026647 -1.18824044361729 -1.1615 -0.8624 3179616 Maybridge4_002964 CSc1nc2ccccc2c(=O)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G17 compound treatment -2.2 -2.07 -2.94 -1.508 -1.44 -2.84 -0.877 -0.826938564026647 -1.59270615172765 -4.2569 -0.9703 3179617 Maybridge4_002965 O=c1ss/c(=N/Cc2ccccc2)/n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G18 compound treatment -1.099 -0.97 -1.38 -1.373 -1.3 -2.57 -0.637 -0.586938564026647 -1.13045962817295 -2.9323 -0.9375 3064083 Maybridge4_002966 S=C(NCC1CC1)NCc2csc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G19 compound treatment -1.397 -1.27 -1.8 -1.014 -0.943 -1.86 -0.571 -0.520938564026647 -1.0033418341954 -2.6943 -0.9698 1378931 Maybridge4_002967 C(NC1CCCCC1)C(CNC2CCCCC2)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G20 compound treatment -0.235 -0.106 -0.15 -0.371 -0.3 -0.59 0.359 0.409061435973353 0.787863444579072 0.0267 0.0268 3064084 Maybridge4_002968 CC(C)(C)c1ccc(NC(=O)c2cnccn2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G21 compound treatment -0.408 -0.279 -0.4 -0.612 -0.541 -1.07 -0.212 -0.161938564026647 -0.311898076044827 -1.025 -0.8683 1050158 Maybridge4_002969 COc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G22 compound treatment -0.149 -0.0196 -0.03 -0.547 -0.476 -0.94 -0.329 -0.278938564026647 -0.537243256277745 -0.8684 -0.8024 1218870 Maybridge4_002970 O=C(Nc1cccnc1)c2cc3CCc4ccccc4-c3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G23 mock treatment -0.095 0.0344 0.05 0.202 0.273 0.54 0.145 0.195061435973353 0.375693627742795 0.5569 0.8443 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 G24 mock treatment -0.696 -0.567 -0.81 -0.058 0.0134 0.03 -0.03 0.020061435973353 0.0386388709841571 -0.4275 -0.5297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H01 compound treatment 0.044 0.173 0.25 0.37 0.441 0.87 0.067 0.117061435973353 0.225463507587516 0.7757 0.831 1264780 Maybridge4_002971 COc1ccc(NC(=O)C2CC(=C(C)CC2C(=O)O)C)c(n1)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H02 compound treatment -0.651 -0.522 -0.74 -0.232 -0.161 -0.32 0.035 0.085061435973353 0.163830637780223 -0.5166 -0.6277 1569864 Maybridge4_002972 COc1ccc(COCC(O)CS(=O)(=O)Cc2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H03 compound treatment -0.176 -0.0466 -0.07 0.083 0.154 0.3 0.035 0.085061435973353 0.163830637780223 0.2324 0.6594 1169171 Maybridge4_002973 OCCNN1C(=O)c2cccc3cccc(C1=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H04 compound treatment -0.471 -0.342 -0.49 0.104 0.175 0.35 -0.079 -0.028938564026647 -0.0557364609082616 -0.1126 -0.1879 1600308 Maybridge4_002974 Cc1onc(c1C2=NCCO2)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H05 compound treatment -1.608 -1.48 -2.1 -1.72 -1.65 -3.26 -1.692 -1.64193856402665 -3.16241830463217 -4.9189 -0.9835 3179618 Maybridge4_002975 Cc1cccc(C)c1Nc2nc3c(C)cc(C)c(C)c3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H06 compound treatment 0.0 0.129 0.18 0.107 0.178 0.35 0.261 0.311061435973353 0.599112780794235 0.6555 0.9118 1417835 Maybridge4_002976 OC1CCCCC1S(=O)(=O)Cc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H07 compound treatment -0.214 -0.0846 -0.12 0.577 0.648 1.28 -0.944 -0.893938564026647 -1.72174997288667 -0.3243 -0.1509 3064223 Maybridge4_002977 CCC(CO)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H08 compound treatment -0.472 -0.343 -0.49 -0.485 -0.414 -0.82 -0.584 -0.533938564026647 -1.02838018755462 -1.3464 -0.9613 3179619 Maybridge4_002978 Clc1ccc2oc(=S)n(Cc3ccccc3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H09 compound treatment 0.543 0.672 0.96 0.269 0.34 0.67 -0.404 -0.353938564026647 -0.681695294888589 0.5465 0.4039 3064225 Maybridge4_002979 CNC(=S)NCCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H10 compound treatment -0.302 -0.173 -0.25 0.086 0.157 0.31 0.042 0.092061435973353 0.177312828050568 0.1402 0.323 3179620 Maybridge4_002980 O=C(OCc1ccc2OCOc2c1)OCc3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H11 compound treatment -0.353 -0.224 -0.32 -1.154 -1.08 -2.14 -0.912 -0.861938564026647 -1.66011710307938 -2.3761 -0.8719 3179621 Maybridge4_002981 Cc1cc(C)nc(NC(=S)c2ccc(NC(=O)/C=C/C(=O)O)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H12 compound treatment -0.088 0.0414 0.06 -0.446 -0.375 -0.74 -0.222 -0.171938564026647 -0.331158347859606 -0.5842 -0.719 3064227 Maybridge4_002982 NC(=N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H13 compound treatment -0.306 -0.177 -0.25 -0.06 0.0114 0.02 -0.043 0.007061435973353 0.013600517624944 -0.1241 -0.4914 1447884 Maybridge4_002983 COc1cccc(C(=O)OCC(=O)c2ccccc2)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H14 compound treatment -1.273 -1.14 -1.63 -1.049 -0.978 -1.93 -0.315 -0.264938564026647 -0.510278875737053 -2.3478 -0.9118 3179622 Maybridge4_002984 CCOC(=O)c1cc(nc(S)c1C#N)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H15 compound treatment -0.469 -0.34 -0.48 -0.096 -0.0246 -0.05 -0.017 0.033061435973353 0.0636772243433702 -0.27 -0.5517 2077819 Maybridge4_002985 C[n+]1c(NC2CCCCC2)scc1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H16 compound treatment -0.667 -0.538 -0.76 -0.086 -0.0146 -0.03 -0.052 -0.001938564026647 -0.00373372700835743 -0.46 -0.6015 1009495 Maybridge4_002986 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H17 compound treatment -0.234 -0.105 -0.15 -0.35 -0.279 -0.55 -0.044 0.006061435973353 0.011674490443466 -0.3967 -0.696 3179623 Maybridge4_002987 CCc1ccc(NC(=N)NC(=N)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H18 compound treatment -0.089 0.0404 0.06 -0.291 -0.22 -0.43 0.174 0.224061435973353 0.431548416005655 0.032 0.0521 1395086 Maybridge4_002988 Cc1nc(nc(O)c1Cl)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H19 compound treatment -0.167 -0.0376 -0.05 -0.269 -0.198 -0.39 -0.167 -0.116938564026647 -0.22522685287832 -0.3861 -0.8512 1725570 Maybridge4_002989 CC(C)(C)C(=O)Nc1ccc(cc1)c2cc3cc(Cl)ccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H20 compound treatment -1.526 -1.4 -1.99 -2.015 -1.94 -3.84 -1.353 -1.30293856402665 -2.50949509011115 -4.8109 -0.9628 1661405 Maybridge4_002990 Cc1ccc(NC(=S)C(C#N)C(=O)N)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H21 compound treatment 0.732 0.861 1.22 -0.048 0.0234 0.05 -0.065 -0.014938564026647 -0.0287720803675706 0.7172 0.585 1723738 Maybridge4_002991 Clc1ccc(N2C(CC(=O)NC2=S)c3ccccc3)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H22 compound treatment -0.519 -0.39 -0.55 -0.323 -0.252 -0.5 -0.444 -0.393938564026647 -0.758736382147707 -1.0446 -0.983 3179624 Maybridge4_002992 OCc1noc(n1)c2ccc(Cl)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H23 mock treatment 0.047 0.176 0.25 0.136 0.207 0.41 0.03 0.080061435973353 0.154200501872833 0.4703 0.9324 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 H24 mock treatment -0.639 -0.51 -0.72 -0.229 -0.158 -0.31 -0.118 -0.067938564026647 -0.130851520985901 -0.6735 -0.8426 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I01 compound treatment -0.859 -0.73 -1.04 -0.375 -0.304 -0.6 0.015 0.065061435973353 0.125310094150664 -0.8726 -0.7244 1401560 Maybridge4_002993 Clc1ccc(NC(=O)Nc2ccccc2)c(SCc3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I02 compound treatment -0.676 -0.547 -0.78 -0.133 -0.0616 -0.12 -0.117 -0.066938564026647 -0.128925493804423 -0.5933 -0.7443 1509609 Maybridge4_002994 CCSc1nnc2nc3c4ccccc4c5ccccc5c3nn12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I03 compound treatment -1.067 -0.938 -1.33 0.252 0.323 0.64 0.16 0.210061435973353 0.404584035464964 -0.1673 -0.1092 3179625 Maybridge4_002995 O=C/1N(N=C(Nc2ccccc2)\C1=C\Nc3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I04 compound treatment -0.312 -0.183 -0.26 -0.083 -0.0116 -0.02 0.022 0.072061435973353 0.138792284421009 -0.0829 -0.2809 3064579 Maybridge4_002996 Cn1cnnc1S/C=C/C(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I05 compound treatment -0.439 -0.31 -0.44 -0.246 -0.175 -0.34 0.101 0.151061435973353 0.290948431757766 -0.2852 -0.4524 1063036 Maybridge4_002997 COc1cc(c(OC)cc1C(C)(C)C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I06 compound treatment 1.19 1.32 1.72 0.822 0.893 1.76 0.329 0.379061435973353 0.730082629134735 2.4329 0.9468 3179626 Maybridge4_002998 CSc1ccc(cc1)C2N[C@@H](C(=O)O)C(C)(C)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I07 compound treatment -0.19 -0.0606 -0.09 0.188 0.259 0.51 -0.253 -0.202938564026647 -0.390865190485422 0.0204 0.0313 1248980 Maybridge4_002999 CCNS(=O)(=O)c1ccc(cc1)c2oc3cc(ccc3c2Cl)S(=O)(=O)NCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I08 compound treatment 0.367 0.496 0.71 2.0 2.07 2.78 0.881 0.931061435973353 1.79324963331055 3.0463 0.9012 3064580 Maybridge4_003000 O=C/1N2CCCCSC2=N\C1=C\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I09 compound treatment 0.054 0.183 0.26 -0.107 -0.0356 -0.07 -0.176 -0.125938564026647 -0.242561097511621 -0.03 -0.0827 1326747 Maybridge4_003001 CN(C)c1ccc(cc1)C2Nc3[nH]nc(C)c3C4=C2C(=O)CCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I10 compound treatment -0.962 -0.833 -1.18 -0.607 -0.536 -1.06 -0.797 -0.746938564026647 -1.43862397720942 -2.1246 -0.9918 3179627 Maybridge4_003002 S=c1[nH]nc(c2ccccc2)c(c1C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I11 compound treatment 0.398 0.527 0.75 -0.293 -0.222 -0.44 -0.268 -0.217938564026647 -0.419755598207591 -0.062 -0.0643 3063889 Maybridge4_003003 COc1ccc2CC(=O)CCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I12 compound treatment 0.015 0.144 0.21 -0.226 -0.155 -0.31 -0.845 -0.794938564026647 -1.53107328192036 -0.9416 -0.598 1333404 Maybridge4_003004 CCCC1C2C(ON1c3ccc(Cl)c(Cl)c3)C(=O)N(C2=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I13 compound treatment -0.158 -0.0286 -0.04 -0.086 -0.0146 -0.03 0.078 0.128061435973353 0.246649806583774 0.1023 0.4067 3063891 Maybridge4_003005 CC(C)CC(C(=O)c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I14 compound treatment -1.014 -0.885 -1.26 -0.197 -0.126 -0.25 0.05 0.100061435973353 0.192721045502392 -0.758 -0.5847 1366549 Maybridge4_003006 Clc1cc(Cl)cc(c1)N2C(=O)CC(C2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I15 compound treatment -0.387 -0.258 -0.37 -0.411 -0.34 -0.67 0.024 0.074061435973353 0.142644338783965 -0.5162 -0.6642 1552090 Maybridge4_003007 O=c1c(coc2ccccc12)c3nnn[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I16 compound treatment -0.415 -0.286 -0.41 -0.042 0.0294 0.06 -0.298 -0.247938564026647 -0.477536413651929 -0.4766 -0.7571 1232818 Maybridge4_003008 CSc1nc2ccccc2c(=O)n1CC(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I17 compound treatment -0.25 -0.121 -0.17 0.031 0.102 0.2 0.044 0.094061435973353 0.181164882413524 0.1224 0.3811 3063892 Maybridge4_003009 COc1cc2ccc(=O)oc2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I18 compound treatment -0.115 0.0144 0.02 -0.122 -0.0506 -0.1 -0.091 -0.040938564026647 -0.0788487870859968 -0.0913 -0.7088 3063893 Maybridge4_003010 CN/1\C(=N/C(=O)C)\NC(=O)\C1=C/c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I19 compound treatment -0.473 -0.344 -0.49 -0.01 0.0614 0.12 -0.012 0.038061435973353 0.0733073602507598 -0.1697 -0.3336 1630014 Maybridge4_003011 NC(CCc1ccccc1Cl)c2ccc3OCCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I20 compound treatment 0.296 0.425 0.6 -0.298 -0.227 -0.45 -0.284 -0.233938564026647 -0.450572033111238 -0.1692 -0.193 1530797 Maybridge4_003012 CCC1(CC)COC2(OC1)C(=O)Nc3ccc(F)cc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I21 compound treatment 0.165 0.294 0.42 -0.31 -0.239 -0.47 -0.986 -0.935938564026647 -1.80264311450875 -1.071 -0.5609 3063895 Maybridge4_003013 Cc1cc(oc2cc3ccccc3c12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I22 compound treatment -0.633 -0.504 -0.72 -0.377 -0.306 -0.6 -0.519 -0.468938564026647 -0.903188420758552 -1.2832 -0.9864 3179717 Maybridge4_003014 Cc1cccc(c1)n2ncc3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I23 mock treatment 0.057 0.186 0.27 0.0 0.0714 0.14 -0.014 0.036061435973353 0.069455305887804 0.2746 0.8909 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 I24 mock treatment -0.636 -0.507 -0.72 -0.217 -0.146 -0.29 0.069 0.119061435973353 0.229315561950472 -0.4494 -0.5557 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J01 compound treatment -2.169 -2.04 -2.9 -0.767 -0.696 -1.37 -0.419 -0.368938564026647 -0.710585702610758 -2.8774 -0.8756 1715355 Maybridge4_003015 OC(=O)COCC(=O)Nc1cnccn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J02 compound treatment -1.479 -1.35 -1.92 -0.5 -0.429 -0.85 -0.237 -0.186938564026647 -0.360048755581775 -1.8043 -0.8479 1137874 Maybridge4_003016 Cc1cccc(C)c1n2c(n[nH]c2=S)C3CC4CCC3O4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J03 compound treatment -0.693 -0.564 -0.8 -0.082 -0.0106 -0.02 0.149 0.199061435973353 0.383397736468707 -0.2533 -0.2851 1593696 Maybridge4_003017 CN(C)N1C(=O)c2cccc3cccc(C1=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J04 compound treatment -0.532 -0.403 -0.57 0.667 0.738 1.46 0.312 0.362061435973353 0.69734016704961 0.9139 0.533 3063897 Maybridge4_003018 CC(=O)Nc1ccc(Br)c(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J05 compound treatment -0.65 -0.521 -0.74 -1.522 -1.45 -2.86 -0.327 -0.276938564026647 -0.533391201914789 -2.3889 -0.7947 1249809 Maybridge4_003019 CC(C)c1ccc(Nc2nnns2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J06 compound treatment 0.618 0.747 1.06 0.288 0.359 0.71 0.112 0.162061435973353 0.312134730754023 1.2035 0.9149 1591476 Maybridge4_003020 CCN(CC)c1nc2ccccc2c(=O)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J07 compound treatment -0.175 -0.0456 -0.06 -0.187 -0.116 -0.23 -0.127 -0.076938564026647 -0.148185765619202 -0.2547 -0.9107 1593840 Maybridge4_003021 CCN(CC)C(=S)Oc1ccccc1C(=O)Nc2ccc(Cl)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J08 compound treatment -0.149 -0.0196 -0.03 0.125 0.196 0.39 0.069 0.119061435973353 0.229315561950472 0.3403 0.7537 3063932 Maybridge4_003022 Clc1cc(Cl)cc(Oc2nc(ns2)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J09 compound treatment 0.044 0.173 0.25 -1.086 -1.01 -2.0 -1.145 -1.09493856402665 -2.10888143636374 -2.2318 -0.7645 1389101 Maybridge4_003023 OC(=O)CCC(=O)Nc1cccc(F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J10 compound treatment -0.333 -0.204 -0.29 -0.522 -0.451 -0.89 -0.469 -0.418938564026647 -0.806887061684655 -1.1466 -0.9281 3063933 Maybridge4_003024 Cc1nc(S)c(C#N)c(C)c1CCC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J11 compound treatment 0.126 0.255 0.36 -0.548 -0.477 -0.94 -0.824 -0.773938564026647 -1.49062671110932 -1.1942 -0.6635 3179718 Maybridge4_003025 Cc1nnc(Nc2cccc(Cl)c2C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J12 compound treatment -0.612 -0.483 -0.69 -1.25 -1.18 -2.33 -2.014 -1.96393856402665 -3.78259905706806 -3.9236 -0.8731 3063934 Maybridge4_003026 CNC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J13 compound treatment -2.896 -2.77 -3.93 -2.545 -2.47 -4.88 -0.337 -0.286938564026647 -0.552651473729568 -5.4099 -0.8593 1446584 Maybridge4_003027 Cc1cc(Br)ccc1NC(=S)Nc2cccc(NC(=O)c3ccccc3O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J14 compound treatment 0.014 0.143 0.2 0.101 0.172 0.34 -0.211 -0.160938564026647 -0.309972048863349 0.1353 0.2687 3179719 Maybridge4_003028 CCOC(=O)c1cc(nc(O)c1C#N)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J15 compound treatment -0.644 -0.515 -0.73 -0.145 -0.0736 -0.15 -0.111 -0.060938564026647 -0.117369330715555 -0.574 -0.7602 3063936 Maybridge4_003029 O=c1cc(nc2scc(c3ccccc3)n12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J16 compound treatment -1.569 -1.44 -2.05 -0.066 0.00544 0.01 -0.855 -0.804938564026647 -1.55033355373514 -2.0706 -0.8064 3179720 Maybridge4_003030 CCOC(=O)NC(=S)Nc1ccc(cc1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J17 compound treatment 1.033 1.16 1.63 1.101 1.17 2.21 0.49 0.540061435973353 1.04017300535268 2.8147 0.9595 3063937 Maybridge4_003031 Cc1nc(S)nc(O)c1CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J18 compound treatment 0.727 0.856 1.22 -0.017 0.0544 0.11 -0.193 -0.142938564026647 -0.275303559596746 0.6061 0.4837 3179721 Maybridge4_003032 Sc1nnc([nH]1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J19 compound treatment -0.329 -0.2 -0.28 0.042 0.113 0.22 0.284 0.334061435973353 0.643411405968228 0.337 0.4566 3063939 Maybridge4_003033 COc1ccc(CCn2c(=S)[nH]c3cc(ccc23)C(F)(F)F)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J20 compound treatment -0.414 -0.285 -0.4 -0.115 -0.0436 -0.09 0.037 0.087061435973353 0.167682692143178 -0.1865 -0.4177 3179722 Maybridge4_003034 N#Cc1ccc(cc1)C2SCCCS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J21 compound treatment -0.375 -0.246 -0.35 -0.898 -0.827 -1.63 -0.245 -0.194938564026647 -0.375456973033598 -1.3606 -0.7954 3179723 Maybridge4_003035 FC(F)(F)c1cccc(c1)N2C(CC(=O)NC2=S)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J22 compound treatment -0.178 -0.0486 -0.07 -0.257 -0.186 -0.37 -0.198 -0.147938564026647 -0.284933695504136 -0.4159 -0.8864 3063940 Maybridge4_003036 Oc1nnc(n2cccc12)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J23 mock treatment 0.736 0.865 1.23 -0.222 -0.151 -0.3 -0.253 -0.202938564026647 -0.390865190485422 0.3131 0.2363 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 J24 mock treatment 0.074 0.203 0.29 0.063 0.134 0.27 0.111 0.161061435973353 0.310208703572545 0.4993 0.998 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K01 compound treatment -0.709 -0.58 -0.82 0.042 0.113 0.22 -0.338 -0.287938564026647 -0.554577500911046 -0.6666 -0.6547 1466072 Maybridge4_003037 CC(C)(C)c1ccc(CSCC(=O)Nc2ccccc2C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K02 compound treatment -1.283 -1.15 -1.64 -0.545 -0.474 -0.94 -0.429 -0.378938564026647 -0.729845974425538 -1.9082 -0.9427 1417054 Maybridge4_003038 COc1ccc(Cc2nc(n[nH]c2=S)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K03 compound treatment -0.271 -0.142 -0.2 -0.197 -0.126 -0.25 0.0 0.050061435973353 0.096419686428495 -0.2037 -0.6106 1566854 Maybridge4_003039 Cc1ccc(C(=O)Nc2ccccc2)c(C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K04 compound treatment -0.274 -0.145 -0.21 -0.231 -0.16 -0.32 -0.033 0.017061435973353 0.0328607894397233 -0.2816 -0.7458 1404328 Maybridge4_003040 CCC1(CC)C(=O)c2cc3ccccc3cc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K05 compound treatment -0.54 -0.411 -0.58 -0.141 -0.0696 -0.14 -0.172 -0.121938564026647 -0.234856988785709 -0.5519 -0.857 1489684 Maybridge4_003041 CNC(=O)c1ccccc1Sc2ccccc2C(=O)NC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K06 compound treatment 0.46 0.589 0.84 0.185 0.256 0.51 0.493 0.543061435973353 1.04595108689712 1.38 0.9632 3179724 Maybridge4_003042 NC(=N)/N=C(\N)/Nc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K07 compound treatment -1.769 -1.64 -2.33 -1.302 -1.23 -2.43 -1.349 -1.29893856402665 -2.50179098138523 -4.1931 -0.9996 3063986 Maybridge4_003043 COC(=O)c1c2ccccc2c(C)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K08 compound treatment 0.0 0.129 0.18 0.091 0.162 0.32 -0.415 -0.364938564026647 -0.702881593884847 -0.1144 -0.144 3179725 Maybridge4_003044 COc1ccc(/C=C\2/N=C3SC(C)C(=O)N3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K09 compound treatment 0.027 0.156 0.22 -0.789 -0.718 -1.42 -0.141 -0.090938564026647 -0.175150146159893 -0.7907 -0.5473 3063988 Maybridge4_003045 C/C(=C\c1ccccc1)/C(=N/O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K10 compound treatment -0.25 -0.121 -0.17 -1.671 -1.6 -3.16 -1.975 -1.92493856402665 -3.70748399699042 -4.063 -0.8337 3179726 Maybridge4_003046 N#C/C(=C\C(=C\N1CCOCC1)\c2ccccc2)/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K11 compound treatment -0.129 4.09E-4 0.0 -1.065 -0.994 -1.96 -0.919 -0.868938564026647 -1.67359929334972 -2.0986 -0.8138 1700846 Maybridge4_003047 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2ccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K12 compound treatment 0.151 0.28 0.4 -0.348 -0.277 -0.55 -0.338 -0.287938564026647 -0.554577500911046 -0.4053 -0.4635 1550463 Maybridge4_003048 O=C1CSCC(=O)N1c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K13 compound treatment -0.712 -0.583 -0.83 -0.458 -0.387 -0.76 -0.231 -0.180938564026647 -0.348492592492907 -1.1201 -0.95 1209004 Maybridge4_003049 COC(=O)C1=C(O)C2(CC(=C(O)C(C1)(C2)C(=O)O)C(=O)OC)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K14 compound treatment -0.929 -0.8 -1.14 -0.299 -0.228 -0.45 -0.232 -0.181938564026647 -0.350418619674385 -1.1181 -0.8792 3063990 Maybridge4_003050 FC(F)(F)Oc1ccc(/N=c/2\[nH]c(=O)c3ccccc3o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K15 compound treatment -0.368 -0.239 -0.34 -0.574 -0.503 -0.99 -0.111 -0.060938564026647 -0.117369330715555 -0.8365 -0.7927 3179727 Maybridge4_003051 FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K16 compound treatment -0.788 -0.659 -0.94 -0.422 -0.351 -0.69 -0.483 -0.432938564026647 -0.833851442225346 -1.4217 -0.9926 3063992 Maybridge4_003052 COC(=O)/C=C\1/NCC(CNC1=O)OC(=O)c2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K17 compound treatment -1.661 -1.53 -2.18 -0.937 -0.866 -1.71 -0.412 -0.361938564026647 -0.697103512340413 -2.6464 -0.9271 1628564 Maybridge4_003053 C1Cc2nc(ccc2-c3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K18 compound treatment 0.03 0.159 0.23 0.766 0.837 1.65 0.111 0.161061435973353 0.310208703572545 1.2646 0.745 3179728 Maybridge4_003054 CC1CC(CC(C)(C)C1)NC(=S)Nc2ccc(I)cc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K19 compound treatment -0.284 -0.155 -0.22 -0.53 -0.459 -0.91 0.123 0.173061435973353 0.333321029750281 -0.4572 -0.462 3063993 Maybridge4_003055 Cn1c(=O)n(C)c2ncn(CCCCn3cnc4n(C)c(=O)n(C)c(=O)c34)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K20 compound treatment 0.756 0.885 1.26 0.738 0.809 1.6 -0.12 -0.069938564026647 -0.134703575348857 1.5718 0.7709 3179729 Maybridge4_003056 CSc1cccc(c1)N2C(=O)C3CC=C(C)CC3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K21 compound treatment -0.178 -0.0486 -0.07 -0.864 -0.793 -1.56 -0.037 0.013061435973353 0.0251566807138115 -0.9289 -0.5929 1568172 Maybridge4_003057 OCC(C(O)c1ccccc1)N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K22 compound treatment -0.713 -0.584 -0.83 -3.595 -3.52 -6.96 -4.135 -4.08493856402665 -7.86770270898275 -9.0383 -0.8579 1396421 Maybridge4_003058 NNC(=O)c1cc2CCc3ccccc3-c2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K23 mock treatment 0.07 0.199 0.28 0.356 0.427 0.84 -0.027 0.023061435973353 0.0444169525285909 0.6766 0.759 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 K24 mock treatment -0.684 -0.555 -0.79 0.157 0.228 0.45 -0.015 0.035061435973353 0.067529278706326 -0.1558 -0.1711 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L01 compound treatment -1.023 -0.894 -1.27 -0.644 -0.573 -1.13 -0.127 -0.076938564026647 -0.148185765619202 -1.4718 -0.8622 3179730 Maybridge4_003059 Cc1c(sc2nc(nn12)C(F)(F)F)C(=O)Cc3c(O)c4ccccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L02 compound treatment -0.304 -0.175 -0.25 0.363 0.434 0.86 0.222 0.272061435973353 0.523997720716596 0.6545 0.6321 3063994 Maybridge4_003060 FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)CC3(CCCC3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L03 compound treatment 0.925 1.05 1.5 0.418 0.489 0.97 0.5 0.550061435973353 1.05943327716746 2.0351 0.981 3179731 Maybridge4_003061 CCOc1ccc(Br)cc1/C=N/c2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L04 compound treatment -0.277 -0.148 -0.21 0.291 0.362 0.72 0.355 0.405061435973353 0.780159335853161 0.7424 0.6879 1505741 Maybridge4_003062 CC(C)c1ccc(NS(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L05 compound treatment -0.859 -0.73 -1.04 -0.88 -0.809 -1.6 -0.471 -0.420938564026647 -0.810739116047611 -1.9887 -0.961 3064031 Maybridge4_003063 Nc1ccccc1NC(=S)Nc2ccccc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L06 compound treatment -0.013 0.116 0.17 -0.156 -0.0846 -0.17 0.015 0.065061435973353 0.125310094150664 0.0715 0.2684 3064032 Maybridge4_003064 CN(C)c1nc2ccccc2c(=O)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L07 compound treatment -0.145 -0.0156 -0.02 -0.046 0.0254 0.05 0.11 0.160061435973353 0.308282676391067 0.1942 0.6201 3179732 Maybridge4_003065 CCN(CC)C(=S)Oc1ccc(I)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L08 compound treatment -0.389 -0.26 -0.37 -0.141 -0.0696 -0.14 -0.174 -0.123938564026647 -0.238709043148665 -0.4302 -0.9342 3179733 Maybridge4_003066 FC(F)(F)c1cc(Cl)c2nc(cn2c1)C(=O)NC(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L09 compound treatment 0.922 1.05 1.49 -0.149 -0.0776 -0.15 -0.036 0.014061435973353 0.0270827078952895 0.7903 0.5258 1015049 Maybridge4_003067 CC(=O)Nc1ccc(Cl)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L10 compound treatment -0.763 -0.634 -0.9 -1.044 -0.973 -1.92 -0.471 -0.420938564026647 -0.810739116047611 -2.0969 -0.9234 3064035 Maybridge4_003068 CCOC(=O)/C(=N/O)/C1=NN=C(N)SC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L11 compound treatment 0.132 0.261 0.37 -0.537 -0.466 -0.92 -0.485 -0.434938564026647 -0.837703496588302 -0.7998 -0.6162 3179734 Maybridge4_003069 CC(C)Nc1nnc(C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L12 compound treatment 0.318 0.447 0.64 -1.028 -0.957 -1.89 -0.58 -0.529938564026647 -1.02067607882871 -1.3125 -0.5862 3064037 Maybridge4_003070 CN(C)C(=O)Nc1cc(C)n(n1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L13 compound treatment -0.548 -0.419 -0.6 -0.028 0.0434 0.09 0.0 0.050061435973353 0.096419686428495 -0.2384 -0.3915 3179735 Maybridge4_003071 Cc1cccc(C)c1/N=C/2\NC(C)(CO)CS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L14 compound treatment -0.653 -0.524 -0.74 0.01 0.0814 0.16 -0.113 -0.062938564026647 -0.121221385078511 -0.4069 -0.5277 1316254 Maybridge4_003072 Cc1cc2C(=O)NC(=O)c2c(Sc3ccc(Cl)cc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L15 compound treatment -0.173 -0.0436 -0.06 -0.515 -0.444 -0.88 -0.214 -0.163938564026647 -0.315750130407782 -0.7237 -0.7757 3064038 Maybridge4_003073 Clc1ccc(cc1)c2csc3nc(cc(=O)n23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L16 compound treatment -0.455 -0.326 -0.46 0.278 0.349 0.69 0.4 0.450061435973353 0.866830559019668 0.6316 0.526 1158628 Maybridge4_003074 CNC(=O)Nc1ccc(cc1Br)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L17 compound treatment -0.254 -0.125 -0.18 -0.076 -0.00456 -0.01 -0.216 -0.165938564026647 -0.319602184770738 -0.292 -0.7988 3064039 Maybridge4_003075 FC(F)(F)c1cc(cc(c1)C(F)(F)F)n2c(S)nc3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L18 compound treatment -0.597 -0.468 -0.66 -0.594 -0.523 -1.03 -0.121 -0.070938564026647 -0.136629602530335 -1.0584 -0.857 1188106 Maybridge4_003076 Clc1cccc(Cl)c1c2nscc2NC(=O)NN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L19 compound treatment -0.162 -0.0326 -0.05 -0.099 -0.0276 -0.05 0.011 0.061061435973353 0.117605985424752 0.0097 0.0707 3064040 Maybridge4_003077 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2cn3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L20 compound treatment -1.424 -1.29 -1.84 -1.014 -0.943 -1.86 -0.639 -0.588938564026647 -1.1343116825359 -2.7921 -0.9787 3178150 Maybridge4_003078 CNC(=O)Oc1ccc(cc1)c2nc(CSc3ccc(Cl)cc3)cs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L21 compound treatment 0.076 0.205 0.29 -1.265 -1.19 -2.36 -0.405 -0.354938564026647 -0.683621322070067 -1.5867 -0.6421 1216087 Maybridge4_003079 CC(C)c1ccc(NCC(O)CSc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L22 compound treatment -1.098 -0.969 -1.38 -1.231 -1.16 -2.29 -1.1 -1.04993856402665 -2.02221021319723 -3.2845 -0.9802 3064086 Maybridge4_003080 OCc1nc(cs1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L23 mock treatment -0.038 0.0914 0.13 0.072 0.143 0.28 0.03 0.080061435973353 0.154200501872833 0.3276 0.9422 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 L24 mock treatment -0.302 -0.173 -0.25 0.125 0.196 0.39 -0.031 0.019061435973353 0.0367128438026791 0.1035 0.2247 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M01 compound treatment -0.244 -0.115 -0.16 0.172 0.243 0.48 -0.284 -0.233938564026647 -0.450572033111238 -0.0767 -0.113 1228182 Maybridge4_003081 O=C(Nc1ccc2OCOc2c1)C(=S)NCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M02 compound treatment -0.726 -0.597 -0.85 -0.081 -0.00956 -0.02 0.078 0.128061435973353 0.246649806583774 -0.3582 -0.4054 3064088 Maybridge4_003082 CCOC(=O)CSc1nnc(c2ccccc2)c(=O)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M03 compound treatment 0.565 0.694 0.99 0.025 0.0964 0.19 0.355 0.405061435973353 0.780159335853161 1.1304 0.8882 3178151 Maybridge4_003083 CC1(C)OC(=O)C(=Cc2ccoc2)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M04 compound treatment 0.805 0.934 1.33 1.188 1.26 2.28 0.299 0.349061435973353 0.672301813690397 2.4725 0.9075 3178152 Maybridge4_003084 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)/C(=C/c5ccccc5)/CC4(C)C3CCC21C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M05 compound treatment -0.242 -0.113 -0.16 -0.479 -0.408 -0.8 0.026 0.076061435973353 0.146496393146921 -0.4725 -0.5668 2077623 Maybridge4_003085 CNC(=O)c1ccccc1[S+]2N(C)C(=O)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M06 compound treatment -0.483 -0.354 -0.5 -0.333 -0.262 -0.52 -0.063 -0.012938564026647 -0.0249200260046147 -0.6028 -0.8359 3064090 Maybridge4_003086 Cc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M07 compound treatment -0.309 -0.18 -0.26 -0.143 -0.0716 -0.14 -0.014 0.036061435973353 0.069455305887804 -0.1889 -0.6297 3064091 Maybridge4_003087 FC(F)(F)C(=O)N1CCCc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M08 compound treatment 0.456 0.585 0.83 0.472 0.543 1.07 0.657 0.707061435973353 1.3618195446595 1.8863 0.9808 3178153 Maybridge4_003088 CN(C)/C=C/C=C/1\N=C(OC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M09 compound treatment 0.089 0.218 0.31 -0.559 -0.488 -0.96 -0.067 -0.016938564026647 -0.0326241347305264 -0.3954 -0.3907 1045240 Maybridge4_003089 O(c1ccccc1)c2nc(Oc3ccccc3)nc(Oc4ccccc4)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M10 compound treatment -0.947 -0.818 -1.16 -0.258 -0.187 -0.37 -0.308 -0.257938564026647 -0.496796685466708 -1.1706 -0.8891 1341049 Maybridge4_003090 Oc1c(Cc2ccccc2)c(=O)n(c3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M11 compound treatment 0.213 0.342 0.49 0.673 0.744 1.47 -0.098 -0.047938564026647 -0.0923309773563423 1.0764 0.6939 1250198 Maybridge4_003091 CCN1c2cc(NC(=O)CC)ccc2C(C)CC1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M12 compound treatment -0.06 0.0694 0.1 -0.492 -0.421 -0.83 -0.859 -0.808938564026647 -1.55803766246105 -1.322 -0.7476 1276296 Maybridge4_003092 COC(=O)c1cc(=O)n2CCSc2c1C(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M13 compound treatment 0.531 0.66 0.94 1.329 1.4 2.39 0.892 0.942061435973353 1.81443593230681 2.9695 0.9445 1660543 Maybridge4_003093 CCC(C)c1cc(N)nc2nc3ccccc3n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M14 compound treatment -0.327 -0.198 -0.28 -0.091 -0.0196 -0.04 0.156 0.206061435973353 0.396879926739052 0.0446 0.0915 1341769 Maybridge4_003094 Fc1ccc(cc1)N2C(=O)CC(C2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M15 compound treatment -1.362 -1.23 -1.75 -0.863 -0.792 -1.56 -0.415 -0.364938564026647 -0.702881593884847 -2.32 -0.9465 3178154 Maybridge4_003095 CCOC(=O)CCc1c(CC(=O)OCC)c[nH]c1/C=N/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M16 compound treatment -0.354 -0.225 -0.32 -0.303 -0.232 -0.46 -0.277 -0.226938564026647 -0.437089842840892 -0.7007 -0.9889 3064093 Maybridge4_003096 OC(=O)c1ccccc1SC(CC(=O)c2ccc(F)cc2)c3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M17 compound treatment -0.179 -0.0496 -0.07 -0.011 0.0604 0.12 0.33 0.380061435973353 0.732008656316212 0.4508 0.6051 3178155 Maybridge4_003097 Clc1ccccc1N/C=C\C2=NN=NC2c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M18 compound treatment -1.596 -1.47 -2.09 -0.648 -0.577 -1.14 -0.22 -0.169938564026647 -0.32730629349665 -2.0501 -0.8549 3064095 Maybridge4_003098 CN(C)NC(=S)NCc1ccc(F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M19 compound treatment -0.684 -0.555 -0.79 -0.024 0.0474 0.09 0.0 0.050061435973353 0.096419686428495 -0.3455 -0.4319 3178156 Maybridge4_003099 CC(=O)OC1CCC2C3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)C4(C)C3CCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M20 compound treatment 0.086 0.215 0.31 1.163 1.23 2.26 0.162 0.212061435973353 0.40843608982792 1.7181 0.7412 1273753 Maybridge4_003100 S=C(N1CCN(Cc2ccccc2)CC1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M21 compound treatment -0.265 -0.136 -0.19 -0.048 0.0234 0.05 -0.307 -0.256938564026647 -0.49487065828523 -0.3703 -0.6946 3064162 Maybridge4_003101 CCOC(=O)/N=C(/c1ccc(Cl)cc1)\c2cc3ccccc3cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M22 compound treatment -2.745 -2.62 -3.72 -3.032 -2.96 -5.85 -3.612 -3.56193856402665 -6.86039049306979 -9.4829 -0.9726 1623253 Maybridge4_003102 CCOC(=O)CC(Sc1ccccc1N)c2cc(OC)c(OC)c(OC)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M23 mock treatment 0.108 0.237 0.34 -0.034 0.0374 0.07 0.12 0.170061435973353 0.327542948205847 0.4267 0.8961 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 M24 mock treatment -0.261 -0.132 -0.19 0.113 0.184 0.36 -0.058 -0.00793856402664701 -0.015289890097225 0.0934 0.228 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N01 compound treatment -2.466 -2.34 -3.32 -2.319 -2.25 -4.44 -0.798 -0.747938564026647 -1.44055000439089 -5.3119 -0.9274 3178157 Maybridge4_003103 CN(C)c1ccc(/C=C(\C#N)/c2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N02 compound treatment -3.524 -3.39 -4.83 -4.696 -4.62 -9.13 -1.582 -1.53193856402665 -2.95055531466959 -9.7619 -0.9088 3178158 Maybridge4_003104 FC(F)(F)Oc1ccc(OCc2n[nH]c(=S)o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N03 compound treatment -1.112 -0.983 -1.4 -0.525 -0.454 -0.9 -0.108 -0.057938564026647 -0.111591249171122 -1.3881 -0.8346 1090055 Maybridge4_003105 CC(C)c1ccc(cc1)N2Cc3cc(ccc3N=C2)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N04 compound treatment 0.072 0.201 0.29 -0.112 -0.0406 -0.08 0.045 0.095061435973353 0.183090909595002 0.2248 0.6438 3064190 Maybridge4_003106 FC(F)(F)Oc1ccc(OC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N05 compound treatment -1.427 -1.3 -1.84 -1.343 -1.27 -2.51 -0.149 -0.098938564026647 -0.190558363611717 -2.6247 -0.8409 3178159 Maybridge4_003107 Cc1cc(Cl)ccc1NC(=N)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N06 compound treatment 0.4 0.529 0.75 0.421 0.492 0.97 0.315 0.365061435973353 0.703118248594043 1.4019 0.9897 3178160 Maybridge4_003108 FC(F)(F)c1cnc(NCCNC(=O)C(F)(F)Sc2ccccc2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N07 compound treatment -0.609 -0.48 -0.68 -0.235 -0.164 -0.32 -0.108 -0.057938564026647 -0.111591249171122 -0.6446 -0.8451 3064194 Maybridge4_003109 CCN(CC)C(=S)Oc1ccc(C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N08 compound treatment -0.931 -0.802 -1.14 -1.55 -1.48 -2.92 -0.793 -0.742938564026647 -1.4309198684835 -3.1697 -0.92 3064195 Maybridge4_003110 CC(C)(C)CC(C)(C)NC(=O)c1cccc(/N=C/c2ccccc2O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N09 compound treatment -0.622 -0.493 -0.7 -1.206 -1.13 -2.24 -0.683 -0.632938564026647 -1.21905687852093 -2.4016 -0.908 1463402 Maybridge4_003111 CCc1ccccc1NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N10 compound treatment -0.424 -0.295 -0.42 -0.988 -0.917 -1.81 -0.681 -0.630938564026647 -1.21520482415798 -1.9883 -0.8957 3064198 Maybridge4_003112 Clc1ccc(SC(=S)NC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N11 compound treatment 0.265 0.394 0.56 -0.614 -0.543 -1.07 -0.688 -0.637938564026647 -1.22868701442832 -1.0041 -0.5825 1288025 Maybridge4_003113 Clc1ccc(cc1)C(=O)COC(=O)c2ccccc2NCc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N12 compound treatment -0.406 -0.277 -0.39 -0.141 -0.0696 -0.14 -0.861 -0.810938564026647 -1.561889716824 -1.2081 -0.7474 3064199 Maybridge4_003114 OC(=O)c1cc(O)nc2c(cccc12)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N13 compound treatment 0.636 0.765 1.09 0.042 0.113 0.22 0.286 0.336061435973353 0.647263460331183 1.1313 0.8798 3178161 Maybridge4_003115 CC1CCCC(C)N1C(=S)NCCCN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N14 compound treatment -0.262 -0.133 -0.19 -0.156 -0.0846 -0.17 0.13 0.180061435973353 0.346803220020626 -0.005 -0.0117 3178162 Maybridge4_003116 CCOC(=O)c1cc(nc(OC(=O)N(C)C)c1C#N)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N15 compound treatment -0.262 -0.133 -0.19 0.426 0.497 0.98 -0.13 -0.079938564026647 -0.153963847163636 0.3693 0.365 3064201 Maybridge4_003117 COc1ccc(/N=C/2\SCC(=O)N2CCc3ccc(OC)c(OC)c3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N16 compound treatment -0.404 -0.275 -0.39 -0.071 4.38E-4 0.0 0.082 0.132061435973353 0.254353915309685 -0.0781 -0.1675 3178163 Maybridge4_003118 Clc1cn(CCC#N)cc(Cl)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N17 compound treatment -1.527 -1.4 -1.99 -0.891 -0.82 -1.62 0.041 0.091061435973353 0.17538680086909 -1.9803 -0.7709 3064203 Maybridge4_003119 CC1=NNC(=O)C1Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N18 compound treatment 0.527 0.656 0.93 0.344 0.415 0.82 0.29 0.340061435973353 0.654967569057095 1.3906 0.99 1440599 Maybridge4_003120 CCOC(=O)Cn1c(noc1=O)c2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N19 compound treatment -1.281 -1.15 -1.64 -0.807 -0.736 -1.45 -0.254 -0.203938564026647 -0.3927912176669 -2.0106 -0.9042 3178164 Maybridge4_003121 Cc1cc(C)c(OC(=O)/C=C/c2cccs2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N20 compound treatment -0.767 -0.638 -0.91 -0.661 -0.59 -1.16 -0.012 0.038061435973353 0.0733073602507598 -1.1531 -0.7806 3064205 Maybridge4_003122 CSc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N21 compound treatment -1.104 -0.975 -1.39 -3.155 -3.08 -6.09 -0.766 -0.715938564026647 -1.3789171345836 -5.1113 -0.7993 1468063 Maybridge4_003123 CC(C)c1ccc(NCC(O)COc2ccc(Cl)c(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N22 compound treatment -0.959 -0.83 -1.18 -2.096 -2.02 -4.0 -0.859 -0.808938564026647 -1.55803766246105 -3.8885 -0.8739 3064206 Maybridge4_003124 O=C1CNC(=S)N1CCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N23 mock treatment 0.2 0.329 0.47 0.154 0.225 0.45 0.0 0.050061435973353 0.096419686428495 0.5831 0.8925 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 N24 mock treatment 0.22 0.349 0.5 -0.063 0.00844 0.02 -0.042 0.00806143597335299 0.0155265448064219 0.3054 0.6141 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O01 compound treatment 2.273 2.4 2.14 1.03 1.1 2.14 0.424 0.474061435973353 0.913055211375138 2.9977 0.9485 1118081 Maybridge4_003125 NNC(=O)CNc1ccc2OCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O02 compound treatment 0.531 0.66 0.94 0.125 0.196 0.39 -0.058 -0.00793856402664701 -0.015289890097225 0.7572 0.7453 3178165 Maybridge4_003126 CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(C)cc2)nc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O03 compound treatment -1.5 -1.37 -1.95 -1.239 -1.17 -2.31 -0.169 -0.118938564026647 -0.229078907241275 -2.5883 -0.855 1121873 Maybridge4_003127 OC(=O)c1ccccc1S(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O04 compound treatment -0.94 -0.811 -1.15 -0.794 -0.723 -1.43 -0.828 -0.777938564026647 -1.49833081983523 -2.3542 -0.994 3064232 Maybridge4_003128 Clc1ccc(cc1)C(=O)O/C=C/C(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O05 compound treatment -1.016 -0.887 -1.26 -0.46 -0.389 -0.77 -0.588 -0.537938564026647 -1.03608429628053 -1.7689 -0.9811 3178166 Maybridge4_003129 CNC(=O)c1cccc2cccc(Br)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O06 compound treatment -0.085 0.0444 0.06 -0.333 -0.262 -0.52 -0.151 -0.100938564026647 -0.194410417974673 -0.374 -0.6733 3178167 Maybridge4_003130 COc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O07 compound treatment -0.4 -0.271 -0.38 -0.415 -0.344 -0.68 0.235 0.285061435973353 0.549036074075809 -0.2968 -0.3112 3064235 Maybridge4_003131 N#CN=C(NC1CCCCC1)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O08 compound treatment -0.2 -0.0706 -0.1 -0.277 -0.206 -0.41 0.395 0.445061435973353 0.857200423112278 0.2026 0.2125 3178168 Maybridge4_003132 Fc1ccc(cc1)C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O09 compound treatment 0.136 0.265 0.38 -0.194 -0.123 -0.24 0.23 0.280061435973353 0.539405938168419 0.3896 0.5554 1715504 Maybridge4_003133 CN1C(=O)C(Cc2ccccc2)(c3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O10 compound treatment 0.33 0.459 0.65 -0.573 -0.502 -0.99 -0.18 -0.129938564026647 -0.250265206237533 -0.3392 -0.2797 1565110 Maybridge4_003134 CN(C)C(=O)Oc1cc(C)n(C)c(=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O11 compound treatment -0.171 -0.0416 -0.06 -0.842 -0.771 -1.52 -1.096 -1.04593856402665 -2.01450610447132 -2.0756 -0.822 3064240 Maybridge4_003135 C/C=C(\C(=N\O)\C)/c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O12 compound treatment -0.207 -0.0776 -0.11 -0.494 -0.423 -0.83 0.686 0.736061435973353 1.41767433292236 0.2731 0.1656 1124022 Maybridge4_003136 CC(=O)n1c(cc(c(C#N)c1=O)c2ccc(C)cc2)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O13 compound treatment -0.365 -0.236 -0.33 -0.457 -0.386 -0.76 -0.103 -0.052938564026647 -0.101961113263732 -0.6918 -0.8256 1736617 Maybridge4_003137 COc1ccc(cc1)c2nc([nH]c(=O)c2C#N)N(C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O14 compound treatment -0.944 -0.815 -1.16 -1.6 -1.53 -3.02 -1.074 -1.02393856402665 -1.9721335064788 -3.5498 -0.9374 3178250 Maybridge4_003138 FC(F)(F)c1ccc(/C=C(\C#N)/c2c[nH]c3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O15 compound treatment -2.873 -2.74 -3.9 -2.594 -2.52 -4.98 -0.589 -0.538938564026647 -1.03801032346201 -5.7271 -0.8933 1429244 Maybridge4_003139 CCOC(=O)Cc1c(C)[nH]c(C(=O)OCC)c1CC(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O16 compound treatment -0.75 -0.621 -0.88 -0.031 0.0404 0.08 0.321 0.371061435973353 0.714674411682911 -0.0507 -0.0445 1373405 Maybridge4_003140 CC(=O)SC1CC(=O)N(C1=O)c2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O17 compound treatment -1.705 -1.58 -2.24 -0.969 -0.898 -1.77 -0.681 -0.630938564026647 -1.21520482415798 -3.0182 -0.9723 3178251 Maybridge4_003141 O=C(C/C(=C\1/Cc2ccccc2C1=O)/c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O18 compound treatment -0.152 -0.0226 -0.03 -1.8 -1.73 -3.41 -1.058 -1.00793856402665 -1.94131707157516 -3.1099 -0.792 3064242 Maybridge4_003142 CN(C)NC(=S)NCc1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O19 compound treatment -0.912 -0.783 -1.11 -0.8 -0.729 -1.44 -0.286 -0.235938564026647 -0.454424087474193 -1.7353 -0.9257 3178252 Maybridge4_003143 CCOC(=O)OC1CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O20 compound treatment -0.584 -0.455 -0.65 -0.328 -0.257 -0.51 0.447 0.497061435973353 0.957353836549131 -0.1129 -0.0895 1442612 Maybridge4_003144 Cc1cc(NCn2ncc3ccccc3c2=O)ccc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O21 compound treatment 0.024 0.153 0.22 -0.809 -0.738 -1.46 0.198 0.248061435973353 0.477773068361126 -0.439 -0.2836 3178253 Maybridge4_003145 Brc1ccc(cc1)c2cnc(/C=C/C=C/N3CCOCC3)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O22 compound treatment 0.099 0.228 0.32 -0.966 -0.895 -1.77 -1.132 -1.08193856402665 -2.08384308300452 -2.0354 -0.7399 1286622 Maybridge4_003146 O=C1c2ccccc2-c3c1c4ccccc4c(=O)n3CC5CC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O23 mock treatment -0.364 -0.235 -0.33 0.026 0.0974 0.19 0.069 0.119061435973353 0.229315561950472 0.0509 0.1136 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 O24 mock treatment 0.028 0.157 0.22 -0.011 0.0604 0.12 -0.054 -0.003938564026647 -0.0075857813713133 0.1937 0.7635 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P01 compound treatment -0.366 -0.237 -0.34 -0.176 -0.105 -0.21 0.018 0.068061435973353 0.131088175695098 -0.2377 -0.5716 3178254 Maybridge4_003147 COc1ccc(/C=C(\C#N)/c2ccc(OC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P02 compound treatment -1.228 -1.1 -1.56 -1.037 -0.966 -1.91 0.0 0.050061435973353 0.096419686428495 -1.9469 -0.7893 1202102 Maybridge4_003148 COc1ccc(cc1OC)C2SC(=S)NC(=C2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P03 compound treatment 0.604 0.733 1.04 -0.312 -0.241 -0.47 -0.073 -0.022938564026647 -0.044180297819394 0.3023 0.2636 3178255 Maybridge4_003149 O=C(NC(=S)N1CCCCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P04 compound treatment -0.074 0.0554 0.08 0.508 0.579 1.14 0.458 0.508061435973353 0.978540135545388 1.271 0.8431 3178256 Maybridge4_003150 Cc1cc(Sc2ccc(Cl)cc2)nc(n1)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P05 compound treatment 0.608 0.737 1.05 -0.165 -0.0936 -0.18 -0.306 -0.255938564026647 -0.492944631103752 0.2141 0.1825 3064323 Maybridge4_003151 CCOC(=O)NC(=S)Nc1ccc(F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P06 compound treatment 0.6 0.729 1.04 0.539 0.61 1.21 -0.103 -0.052938564026647 -0.101961113263732 1.2358 0.7756 1496124 Maybridge4_003152 Nc1nc(Cc2ccc(F)cc2F)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P07 compound treatment 0.581 0.71 1.01 0.809 0.88 1.74 -0.041 0.009061435973353 0.0174525719878998 1.5969 0.7942 1646965 Maybridge4_003153 Oc1cc(O)n(Cc2ccco2)c(=S)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P08 compound treatment -0.603 -0.474 -0.67 -0.368 -0.297 -0.59 -0.264 -0.213938564026647 -0.412051489481679 -0.9647 -0.9815 3178257 Maybridge4_003154 COc1cc(NC(=O)C(Sc2nc(C)cc(C)c2C#N)c3ccccc3)c(OC)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P09 compound treatment 0.688 0.817 1.16 0.094 0.165 0.33 -0.042 0.00806143597335299 0.0155265448064219 0.8685 0.7194 1555108 Maybridge4_003155 Sc1nc2ccccc2c(=O)n1CCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P10 compound treatment -1.032 -0.903 -1.28 -0.132 -0.0606 -0.12 -0.851 -0.800938564026647 -1.54262944500922 -1.7006 -0.846 1688911 Maybridge4_003156 CN(C(=O)N(C)C(=O)c1ccccc1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P11 compound treatment -0.765 -0.636 -0.9 -3.5 -3.43 -6.77 -2.559 -2.50893856402665 -4.83228387097353 -7.2202 -0.863 1186033 Maybridge4_003157 CCNC(=S)Nc1ccc(NC(=O)c2ccccc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P12 compound treatment 0.017 0.146 0.21 -0.792 -0.721 -1.42 -0.406 -0.355938564026647 -0.685547349251545 -1.0971 -0.6887 3064360 Maybridge4_003158 CN(C)/C=N/c1nonc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P13 compound treatment -0.071 0.0584 0.08 -0.318 -0.247 -0.49 1.228 1.27806143597335 2.21968758426039 1.0484 0.461 3178258 Maybridge4_003159 COc1ccccc1/C=C(\C#N)/c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P14 compound treatment -0.164 -0.0346 -0.05 -0.291 -0.22 -0.43 0.056 0.106061435973353 0.204277208591259 -0.1608 -0.3337 1641024 Maybridge4_003160 CC(C)NC(=O)Oc1noc2ccc(Cl)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P15 compound treatment -0.439 -0.31 -0.44 -0.222 -0.151 -0.3 -0.125 -0.074938564026647 -0.144333711256246 -0.5091 -0.9249 3178259 Maybridge4_003161 CS/C(=N\c1c(C)cccc1C)/N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P16 compound treatment -0.096 0.0334 0.05 0.868 0.939 1.85 0.393 0.443061435973353 0.853348368749322 1.5911 0.779 1687023 Maybridge4_003162 CC(C)(C)C(=O)Nc1cccc(c1)c2cc(no2)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P17 compound treatment -0.053 0.0764 0.11 -0.067 0.00444 0.01 0.851 0.901061435973353 1.73546881786622 1.0698 0.6152 3064362 Maybridge4_003163 Cc1nc(S)nc(O)c1Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P18 compound treatment 0.044 0.173 0.25 0.345 0.416 0.82 0.069 0.119061435973353 0.229315561950472 0.7495 0.8435 1159384 Maybridge4_003164 COC(=O)c1c(NC(=O)NCc2ccccc2)onc1c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P19 compound treatment -0.164 -0.0346 -0.05 -0.386 -0.315 -0.62 -0.124 -0.073938564026647 -0.142407684074769 -0.4692 -0.7342 1135236 Maybridge4_003165 Clc1ccc(cc1)C(=O)Oc2ccccc2OCC(=O)NCc3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P20 compound treatment -0.925 -0.796 -1.13 -0.525 -0.454 -0.9 -0.848 -0.797938564026647 -1.53685136346479 -2.0574 -0.976 3178260 Maybridge4_003166 CSc1nc(NC(=O)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)nc(n1)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P21 compound treatment 0.1 0.229 0.33 0.505 0.576 1.14 0.217 0.267061435973353 0.514367584809206 1.1424 0.885 1287410 Maybridge4_003167 CSc1nc2ccccc2c(=O)n1c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P22 compound treatment -0.44 -0.311 -0.44 0.121 0.192 0.38 -0.13 -0.079938564026647 -0.153963847163636 -0.1245 -0.2066 3178261 Maybridge4_003168 COC(=O)c1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P23 mock treatment -0.032 0.0974 0.14 0.137 0.208 0.41 0.055 0.105061435973353 0.202351181409781 0.4344 0.9068 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2057 P24 mock treatment -0.14 -0.0106 -0.02 0.123 0.194 0.38 0.167 0.217061435973353 0.41806622573531 0.4543 0.8002 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A01 compound treatment -1.575 -1.45 -2.06 -1.284 -1.21 -2.39 -1.418 -1.36793856402665 -2.63468685690721 -4.0901 -0.995 3064365 Maybridge4_003169 Clc1ccccc1CN2C(=O)CNC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A02 compound treatment -2.327 -2.2 -3.12 -4.894 -4.82 -9.52 -1.021 -0.970938564026647 -1.87005406586047 -8.3813 -0.8221 3178262 Maybridge4_003170 Cc1cc(SCC(=O)NN)c(C)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A03 compound treatment -1.242 -1.11 -1.58 -0.676 -0.605 -1.19 -0.311 -0.260938564026647 -0.502574767011142 -1.8926 -0.9257 1123055 Maybridge4_003171 Clc1ccccc1OCCN2C(=O)CNC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A04 compound treatment -0.677 -0.548 -0.78 -0.068 0.00344 0.01 -0.398 -0.347938564026647 -0.670139131799722 -0.8325 -0.8104 3178263 Maybridge4_003172 CC(=O)N1c2ccccc2C=Cc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A05 compound treatment -1.197 -1.07 -1.52 -0.078 -0.00656 -0.01 -1.165 -1.11493856402665 -2.1474019799933 -2.1236 -0.8075 3178264 Maybridge4_003173 COc1nc(NC(=O)NS(=O)(=O)Nc2cccc3cccnc23)nc(OC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A06 compound treatment -0.174 -0.0446 -0.06 0.494 0.565 1.12 0.381 0.431061435973353 0.830236042571587 1.0873 0.7807 1697760 Maybridge4_003174 S=C(NC1CC2CC1C=C2)Nc3ccc4[nH]ccc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A07 compound treatment -0.241 -0.112 -0.16 -0.262 -0.191 -0.38 0.099 0.149061435973353 0.28709637739481 -0.1431 -0.2866 3064405 Maybridge4_003175 CNc1nc2c(Cl)cc(Cl)cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A08 compound treatment -0.443 -0.314 -0.45 -0.426 -0.355 -0.7 0.135 0.185061435973353 0.356433355928016 -0.4558 -0.5046 3064407 Maybridge4_003176 CC(C)OC(=S)Nc1cccc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A09 compound treatment 0.088 0.217 0.31 -0.097 -0.0256 -0.05 -0.13 -0.079938564026647 -0.153963847163636 0.0604 0.1732 3178265 Maybridge4_003177 CCN(C(=O)c1cnccc1C(F)(F)F)c2c(C)cccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A10 compound treatment -1.24 -1.11 -1.58 -0.662 -0.591 -1.17 -1.07 -1.01993856402665 -1.96442939775289 -2.719 -0.9791 1316937 Maybridge4_003178 Cc1ccc(C)c(COc2ccc(C)nc2NC(=S)NCc3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A11 compound treatment 0.438 0.567 0.81 -0.466 -0.395 -0.78 -0.309 -0.258938564026647 -0.498722712648186 -0.272 -0.2216 3064408 Maybridge4_003179 CC1(C)ONC(=O)N(C1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A12 compound treatment 0.056 0.185 0.26 -0.183 -0.112 -0.22 -0.486 -0.435938564026647 -0.83962952376978 -0.4597 -0.5068 1490878 Maybridge4_003180 COc1ccccc1C2CCN(CC2)C(=O)c3cccnc3Sc4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A13 compound treatment -1.0 -0.871 -1.24 -0.156 -0.0846 -0.17 0.073 0.123061435973353 0.237019670676384 -0.6742 -0.5303 3064412 Maybridge4_003181 FC(F)(F)c1cccc(c1)n2c(noc2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A14 compound treatment -1.81 -1.68 -2.39 -0.656 -0.585 -1.15 0.214 0.264061435973353 0.508589503264772 -1.7523 -0.6485 1158023 Maybridge4_003182 Sc1nnc(CSCc2cccc3ccccc23)n1C4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A15 compound treatment -0.232 -0.103 -0.15 -0.304 -0.233 -0.46 0.073 0.123061435973353 0.237019670676384 -0.2125 -0.3957 3064413 Maybridge4_003183 Brc1ccc(cc1)C(=O)CSc2nc(c3cccs3)c(C#N)c(=O)[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A16 compound treatment -0.615 -0.486 -0.69 -0.574 -0.503 -0.99 -0.395 -0.344938564026647 -0.664361050255288 -1.3551 -0.9824 1059941 Maybridge4_003184 OC(=O)c1cc2cc(Cl)ccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A17 compound treatment -0.25 -0.121 -0.17 -0.119 -0.0476 -0.09 -0.162 -0.111938564026647 -0.21559671697093 -0.2777 -0.9541 3178266 Maybridge4_003185 Cc1cc(C)cc(Sc2ccc3nnc(c4ccccc4)n3n2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A18 compound treatment 0.295 0.424 0.6 0.307 0.378 0.75 0.146 0.196061435973353 0.377619654924273 0.9978 0.9669 3178267 Maybridge4_003186 CC(C)c1ccc(/C=C/2\CSc3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A19 compound treatment -0.21 -0.0806 -0.11 -0.156 -0.0846 -0.17 0.027 0.077061435973353 0.148422420328399 -0.0769 -0.3061 3064415 Maybridge4_003187 Cc1cc(Cc2ccc(Cl)cc2)c(=O)[nH]n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A20 compound treatment -0.233 -0.104 -0.15 -0.479 -0.408 -0.8 -0.063 -0.012938564026647 -0.0249200260046147 -0.564 -0.6891 3178268 Maybridge4_003188 O=C(/C=C\1/Nc2ccccc2OC1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A21 compound treatment 0.25 0.379 0.54 0.069 0.14 0.28 0.114 0.164061435973353 0.315986785116979 0.654 0.9562 3064418 Maybridge4_003189 CCOC(=O)CSc1nc2cccnc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A22 compound treatment -1.513 -1.38 -1.97 -1.058 -0.987 -1.95 -2.151 -2.10093856402665 -4.04646478093054 -4.5966 -0.9375 3178269 Maybridge4_003190 COc1ccc(cc1)C2=Nc3ccccc3SC(C2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A23 mock treatment -0.081 0.0484 0.07 0.25 0.321 0.63 0.143 0.193061435973353 0.371841573379839 0.6209 0.8404 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 A24 mock treatment 0.0 0.129 0.18 -0.016 0.0554 0.11 0.118 0.168061435973353 0.323690893842891 0.3563 0.9181 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B01 compound treatment -0.514 -0.385 -0.55 -1.016 -0.945 -1.87 -0.228 -0.177938564026647 -0.342714510948473 -1.5904 -0.8058 1225177 Maybridge4_003191 CCOC(=O)c1c(C)c(=O)oc2n(nc(O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B02 compound treatment 0.697 0.826 1.17 -0.21 -0.139 -0.27 -0.151 -0.100938564026647 -0.194410417974673 0.4082 0.334 1739696 Maybridge4_003192 O=C1N(Cc2ccccc2)S(=O)(=O)c3ccccc3S(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B03 compound treatment -0.65 -0.521 -0.74 -0.136 -0.0646 -0.13 0.171 0.221061435973353 0.425770334461221 -0.2551 -0.2955 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B04 compound treatment 0.049 0.178 0.25 -0.07 0.00144 0.0 0.09 0.140061435973353 0.269762132761509 0.3038 0.8205 2101805 Maybridge4_003194 CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B05 compound treatment -0.561 -0.432 -0.61 -0.422 -0.351 -0.69 0.61 0.660061435973353 1.27129626713003 -0.0199 -0.0127 1443369 Maybridge4_003195 CCc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B06 compound treatment 0.206 0.335 0.48 0.197 0.268 0.53 0.1 0.150061435973353 0.289022404576288 0.7482 0.9725 1585673 Maybridge4_003196 CCOC(=O)CCc1ccc(OCc2ccccc2)c(I)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B07 compound treatment -0.25 -0.121 -0.17 0.07 0.141 0.28 -0.046 0.004061435973353 0.00782243608051015 0.0668 0.2037 3064452 Maybridge4_003197 CC(=O)OC[C@H]1OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B08 compound treatment -0.143 -0.0136 -0.02 -0.357 -0.286 -0.56 0.239 0.289061435973353 0.556740182801721 -0.0153 -0.0193 3178366 Maybridge4_003198 CC1(C)c2ccccc2N3CC(=O)NC31/C=C/c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B09 compound treatment -0.297 -0.168 -0.24 -1.262 -1.19 -2.35 0.0 0.050061435973353 0.096419686428495 -1.4391 -0.6086 1005564 Maybridge4_003199 CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B10 compound treatment -0.187 -0.0576 -0.08 -1.167 -1.1 -2.16 -0.484 -0.433938564026647 -0.835777469406824 -1.7787 -0.7665 3178367 Maybridge4_003200 Cc1nn(c(O)c1Cc2c(Cl)cccc2Cl)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B11 compound treatment 0.138 0.267 0.38 -0.375 -0.304 -0.6 -0.571 -0.520938564026647 -1.0033418341954 -0.7058 -0.5743 1167085 Maybridge4_003201 COc1ccc(CC2CCc3ncc(C)cc3C2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B12 compound treatment -1.479 -1.35 -1.92 -0.774 -0.703 -1.39 -1.239 -1.18893856402665 -2.28992799142266 -3.2308 -0.9808 3178368 Maybridge4_003202 N/N=C(/Cn1nnc(n1)N2CCCCC2)\c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B13 compound treatment -0.516 -0.387 -0.55 -0.233 -0.162 -0.32 -0.027 0.023061435973353 0.0444169525285909 -0.4759 -0.747 3064453 Maybridge4_003203 S=c1sc2ccccc2n1CCn3c(=S)sc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B14 compound treatment -0.333 -0.204 -0.29 0.032 0.103 0.2 0.013 0.063061435973353 0.121458039787708 0.0209 0.0559 1238987 Maybridge4_003204 CCCc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B15 compound treatment -0.521 -0.392 -0.56 -0.119 -0.0476 -0.09 -0.312 -0.261938564026647 -0.50450079419262 -0.6669 -0.8808 3178369 Maybridge4_003205 CC1CN=C(S1)N(CCc2ccccc2)C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B16 compound treatment -0.186 -0.0566 -0.08 -0.153 -0.0816 -0.16 -0.175 -0.124938564026647 -0.240635070330143 -0.2784 -0.9263 1004236 Maybridge4_003206 Cc1ccccc1NC(=N)NC(=N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B17 compound treatment 0.086 0.215 0.31 -0.354 -0.283 -0.56 0.269 0.319061435973353 0.614520998246059 0.2095 0.2368 1381247 Maybridge4_003207 Sc1nnc(CCCc2nnc(S)o2)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B18 compound treatment -0.046 0.0834 0.12 0.111 0.182 0.36 -0.083 -0.032938564026647 -0.0634405696341733 0.2398 0.6237 1184925 Maybridge4_003208 CN(C)C(=O)Oc1nc(SCC(=O)c2ccc(Cl)cc2)nc(C)c1CC(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B19 compound treatment -0.225 -0.0956 -0.14 -1.107 -1.04 -2.04 -0.569 -0.518938564026647 -0.999489779832448 -1.8361 -0.8053 3064457 Maybridge4_003209 COc1ccccc1C2CCN(CCCOc3ccc(Cl)cc3)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B20 compound treatment 0.067 0.196 0.28 0.068 0.139 0.28 0.274 0.324061435973353 0.624151134153448 0.6805 0.9232 3178370 Maybridge4_003210 CCNC(=S)NCC1CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B21 compound treatment 0.466 0.595 0.85 -0.27 -0.199 -0.39 0.049 0.099061435973353 0.190795018320914 0.3725 0.3912 1489027 Maybridge4_003211 Oc1c(Cl)c(=O)n(Cc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B22 compound treatment 0.14 0.269 0.38 -0.205 -0.134 -0.26 0.048 0.098061435973353 0.188868991139436 0.1779 0.3545 1250091 Maybridge4_003212 O=C(Nc1ccc(cc1)S(=O)(=O)NC2(CC3CC4CC(C3)C2)C4)C5CC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B23 mock treatment 0.2 0.329 0.47 0.047 0.118 0.23 0.2 0.250061435973353 0.481625122724081 0.6835 0.9608 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 B24 mock treatment 0.114 0.243 0.35 0.145 0.216 0.43 0.173 0.223061435973353 0.429622388824177 0.6946 0.9953 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C01 compound treatment -0.692 -0.563 -0.8 -0.643 -0.572 -1.13 -0.147 -0.096938564026647 -0.186706309248761 -1.2212 -0.8749 3064501 Maybridge4_003213 O=C(Nc1ccccc1)Nc2ccc3nnsc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C02 compound treatment -1.275 -1.15 -1.63 -0.745 -0.674 -1.33 -0.804 -0.753938564026647 -1.45210616747976 -2.5466 -0.9965 1507422 Maybridge4_003214 CC(C)(C)c1ccc(OCC(=O)n2ncc(C#N)c2N)c(c1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C03 compound treatment -1.597 -1.47 -2.09 -1.128 -1.06 -2.09 -0.235 -0.184938564026647 -0.356196701218819 -2.6148 -0.8798 1402640 Maybridge4_003215 COc1ccc(OCCN2C(=O)CNC2=S)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C04 compound treatment -0.776 -0.647 -0.92 -0.046 0.0254 0.05 -0.31 -0.259938564026647 -0.500648739829664 -0.7908 -0.7546 1499674 Maybridge4_003216 Cc1ccc2N(CCCc2c1)C(=O)CC(=O)N3CCCc4cc(C)ccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C05 compound treatment -1.815 -1.69 -2.4 -0.6 -0.529 -1.04 -0.817 -0.766938564026647 -1.47714452083898 -2.839 -0.9456 3064504 Maybridge4_003217 CC(C)c1ccc(NC(=S)Sc2ccc(F)cc2F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C06 compound treatment -0.065 0.0644 0.09 -0.301 -0.23 -0.45 -0.688 -0.637938564026647 -1.22868701442832 -0.9182 -0.6994 1213648 Maybridge4_003218 Cc1ccc(CC(=S)N2CCOCC2)cn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C07 compound treatment 0.013 0.142 0.2 0.088 0.159 0.31 0.239 0.289061435973353 0.556740182801721 0.6201 0.9243 3178371 Maybridge4_003219 CCN(C(=O)c1cnccc1C(F)(F)F)c2nc3cc(Cl)ccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C08 compound treatment -0.312 -0.183 -0.26 -1.015 -0.944 -1.86 -0.089 -0.038938564026647 -0.0749967327230409 -1.2688 -0.674 1153252 Maybridge4_003220 COc1cc2cc(OCc3c(F)cccc3Cl)nc(C)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C09 compound treatment 0.238 0.367 0.52 0.44 0.511 1.01 0.047 0.097061435973353 0.186942963957958 0.9926 0.8614 3178372 Maybridge4_003221 CSc1cc(c(cn1)C(=O)Nc2c(C)cccc2C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C10 compound treatment -0.754 -0.625 -0.89 -3.311 -3.24 -6.4 -2.631 -2.58093856402665 -4.97095782803994 -7.0757 -0.8682 3064507 Maybridge4_003222 CCC/N=c/1\ssc(=O)n1CCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C11 compound treatment 0.484 0.613 0.87 -0.447 -0.376 -0.74 -0.535 -0.484938564026647 -0.934004855662198 -0.4639 -0.314 3178373 Maybridge4_003223 COc1nccc(c1C(=O)NC(=O)Nc2c(C)cccc2C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C12 compound treatment -0.215 -0.0856 -0.12 -0.7 -0.629 -1.24 -1.104 -1.05393856402665 -2.02991432192314 -1.9588 -0.8222 3064509 Maybridge4_003224 FC(F)(F)c1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C13 compound treatment -0.412 -0.283 -0.4 -0.37 -0.299 -0.59 -0.176 -0.125938564026647 -0.242561097511621 -0.7124 -0.9454 1304317 Maybridge4_003225 Clc1cccc(c1)c2noc(=O)n2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C14 compound treatment -0.259 -0.13 -0.18 0.489 0.56 1.11 0.333 0.383061435973353 0.737786737860646 0.9585 0.7138 1154699 Maybridge4_003226 CC(C)COC(=O)c1cn(C2CCCCC2)c3ccccc3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C15 compound treatment -0.696 -0.567 -0.81 -0.221 -0.15 -0.3 0.127 0.177061435973353 0.341025138476192 -0.4387 -0.4752 1407275 Maybridge4_003227 COC(=O)C1c2ccccc2Oc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C16 compound treatment -1.131 -1.0 -1.42 -1.825 -1.75 -3.46 -1.197 -1.14693856402665 -2.20903484980059 -4.0966 -0.9424 1661086 Maybridge4_003228 COc1ccc(CC2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C17 compound treatment -0.079 0.0504 0.07 -0.538 -0.467 -0.92 -0.043 0.007061435973353 0.013600517624944 -0.4826 -0.5223 3178374 Maybridge4_003229 CC1=C(Sc2ccccc2N1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C18 compound treatment 0.392 0.521 0.74 -0.014 0.0574 0.11 0.07 0.120061435973353 0.23124158913195 0.627 0.7989 3064548 Maybridge4_003230 O=C1/C(=C/c2c[nH]c3ccccc23)/CSc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C19 compound treatment -0.202 -0.0726 -0.1 -0.2 -0.129 -0.25 -0.213 -0.162938564026647 -0.313824103226304 -0.3873 -0.9297 3178375 Maybridge4_003231 Cc1cc(Cc2cccs2)c(=O)[nH]n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C20 compound treatment 0.153 0.282 0.4 -0.354 -0.283 -0.56 0.356 0.406061435973353 0.782085363034639 0.3612 0.3469 1550561 Maybridge4_003232 OC(COc1ccc(F)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C21 compound treatment 0.333 0.462 0.66 -0.356 -0.285 -0.56 -0.286 -0.235938564026647 -0.454424087474193 -0.2072 -0.2121 1029711 Maybridge4_003233 CCOC(=O)c1cc(=O)c2ccc(OCc3ccccc3)cc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C22 compound treatment -0.4 -0.271 -0.38 -0.433 -0.362 -0.71 -1.224 -1.17393856402665 -2.26103758370049 -1.9397 -0.8075 3178376 Maybridge4_003234 Oc1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C23 mock treatment -0.306 -0.177 -0.25 0.318 0.389 0.77 0.242 0.292061435973353 0.562518264346154 0.6238 0.6331 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 C24 mock treatment -0.259 -0.13 -0.18 0.027 0.0984 0.19 0.121 0.171061435973353 0.329468975387325 0.1961 0.4618 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D01 compound treatment -0.35 -0.221 -0.31 -0.282 -0.211 -0.42 0.109 0.159061435973353 0.30635664920959 -0.2442 -0.4042 1653141 Maybridge4_003235 Nc1cc(=O)[nH]c(=O)n1c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D02 compound treatment -1.203 -1.07 -1.53 -0.786 -0.715 -1.41 -0.033 0.017061435973353 0.0328607894397233 -1.6769 -0.8066 3178377 Maybridge4_003236 CNS(=O)(=O)c1ccc(cc1S(=O)c2ccccc2C(=O)O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D03 compound treatment -0.385 -0.256 -0.36 0.23 0.301 0.6 -0.035 0.015061435973353 0.0290087350767674 0.1506 0.2157 1915933 Maybridge4_003237 COC(=O)Nc1nc2cc(ccc2[nH]1)c3n[nH]c(=O)c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D04 compound treatment -0.353 -0.224 -0.32 0.39 0.461 0.91 0.786 0.836061435973353 1.61027705107015 1.2722 0.6777 1252966 Maybridge4_003238 Oc1c(c2ccccc2)c(=O)[nH]c3ccc(F)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D05 compound treatment -0.98 -0.851 -1.21 -1.211 -1.14 -2.25 -0.13 -0.079938564026647 -0.153963847163636 -2.0862 -0.8152 3178378 Maybridge4_003239 Brc1ccc(cc1)C(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D06 compound treatment -0.46 -0.331 -0.47 -0.126 -0.0546 -0.11 -0.355 -0.304938564026647 -0.587319962996171 -0.6727 -0.8852 3064551 Maybridge4_003240 CCN1C(=O)N(CC)C(=O)C(=Cc2c(O)n(CC)c(=O)n(CC)c2=O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D07 compound treatment 0.11 0.239 0.34 -0.133 -0.0616 -0.12 0.216 0.266061435973353 0.512441557627728 0.4222 0.6733 3178379 Maybridge4_003241 CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D08 compound treatment -0.778 -0.649 -0.92 -1.028 -0.957 -1.89 -0.761 -0.710938564026647 -1.36928699867621 -2.4134 -0.9621 3178380 Maybridge4_003242 CC1(C)c2ccccc2N3CC(=O)NC31/C=C/c4ccc(cc4)N5CCOCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D09 compound treatment 0.537 0.666 0.95 -1.641 -1.57 -3.1 -0.235 -0.184938564026647 -0.356196701218819 -1.4479 -0.4441 1190502 Maybridge4_003243 Clc1ccc2n(CN3CCCCC3)c4ccc(Cl)cc4c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D10 compound treatment -0.621 -0.492 -0.7 0.053 0.124 0.25 -0.658 -0.607938564026647 -1.17090619898398 -0.9377 -0.6767 3064581 Maybridge4_003244 CNC(=S)Nc1cc(Cl)cc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D11 compound treatment -0.09 0.0394 0.06 -1.063 -0.992 -1.96 -1.108 -1.05793856402665 -2.03761843064905 -2.2744 -0.8047 1208488 Maybridge4_003245 OC(=O)CCC1CCCCCCCCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D12 compound treatment 0.016 0.145 0.21 -1.493 -1.42 -2.81 -0.471 -0.420938564026647 -0.810739116047611 -1.9693 -0.6724 3064582 Maybridge4_003246 O/N=C(/Cn1nnc(n1)N2CCCC2)\c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D13 compound treatment 0.026 0.155 0.22 0.079 0.15 0.3 0.164 0.214061435973353 0.412288144190876 0.5371 0.9693 3064584 Maybridge4_003247 C([n+]1ccccc1)[n+]2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D14 compound treatment -0.297 -0.168 -0.24 0.012 0.0834 0.16 -0.172 -0.121938564026647 -0.234856988785709 -0.178 -0.4774 3178381 Maybridge4_003248 Cc1nc(SCC(=O)C(C)(C)C)nc(O)c1Cc2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D15 compound treatment -1.263 -1.13 -1.61 -1.14 -1.07 -2.11 -0.469 -0.418938564026647 -0.806887061684655 -2.6145 -0.9422 3178382 Maybridge4_003249 CC(N(C(=O)Nc1ccc(Cl)cc1)C2=NCC(C)S2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D16 compound treatment -0.404 -0.275 -0.39 -0.882 -0.811 -1.6 0.041 0.091061435973353 0.17538680086909 -1.0482 -0.6327 3064586 Maybridge4_003250 CC(C)(C)c1cs/c(=N\c2ccc(F)cc2F)/o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D17 compound treatment -1.158 -1.03 -1.46 -0.896 -0.825 -1.63 -0.746 -0.695938564026647 -1.34039659095404 -2.5582 -0.9968 3178383 Maybridge4_003251 C(CCc1nnc(SCc2ccccc2)o1)Cc3nnc(SCc4ccccc4)o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D18 compound treatment 0.277 0.406 0.58 -0.185 -0.114 -0.22 -0.071 -0.020938564026647 -0.0403282434564381 0.1809 0.2912 3064589 Maybridge4_003252 FC(F)(F)c1ccc(Cl)c(Nc2ncnc(n2)n3cccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D19 compound treatment 0.205 0.334 0.48 -0.206 -0.135 -0.27 -0.145 -0.094938564026647 -0.182854254885805 0.0155 0.027 1521138 Maybridge4_003253 COc1ccc(CCNC(=O)C2CCCCC2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D20 compound treatment -0.246 -0.117 -0.17 0.57 0.641 1.27 -0.273 -0.222938564026647 -0.42938573411498 0.3876 0.2876 2078178 Maybridge4_003254 CC(C)[n+]1c(C)csc1Nc2ccc(F)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D21 compound treatment 0.279 0.408 0.58 -0.775 -0.704 -1.39 -0.48 -0.429938564026647 -0.828073360680912 -0.9449 -0.5499 1308049 Maybridge4_003255 O=c1cc(NCc2ccccc2)[nH]nc1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D22 compound treatment -2.106 -1.98 -2.81 -0.879 -0.808 -1.59 -3.836 -3.78593856402665 -7.29182058172085 -6.7531 -0.8467 3178478 Maybridge4_003256 CCCC1=NNC(=O)C1Cc2c(Cl)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D23 mock treatment -0.369 -0.24 -0.34 -0.112 -0.0406 -0.08 0.092 0.142061435973353 0.273614187124465 -0.0849 -0.1912 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 D24 mock treatment 0.115 0.244 0.35 -0.027 0.0444 0.09 0.231 0.281061435973353 0.541331965349897 0.5638 0.8685 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E01 compound treatment -1.776 -1.65 -2.34 -1.0 -0.929 -1.83 -0.286 -0.235938564026647 -0.454424087474193 -2.6725 -0.8884 3064592 Maybridge4_003257 CSC1=NCC(=O)N1Cc2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E02 compound treatment -0.824 -0.695 -0.99 -0.359 -0.288 -0.57 0.113 0.163061435973353 0.314060757935501 -0.7167 -0.6065 1522772 Maybridge4_003258 CCCCc1cc(C)c2ncc(C(=O)O)c(O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E03 compound treatment 0.522 0.651 0.93 0.28 0.351 0.69 0.067 0.117061435973353 0.225463507587516 1.0655 0.9037 1340715 Maybridge4_003259 CC(C)NC(=O)N(Cc1cccs1)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E04 compound treatment -0.294 -0.165 -0.23 0.203 0.274 0.54 -0.45 -0.399938564026647 -0.770292545236574 -0.267 -0.2751 1280280 Maybridge4_003260 Oc1c(c2ccccc2)c(=O)n3c4ccccc4c5cccc1c53 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E05 compound treatment -0.126 0.00341 0.0 0.344 0.415 0.82 -1.063 -1.01293856402665 -1.95094720748255 -0.65 -0.3071 3178479 Maybridge4_003261 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)c3CS(=O)(=O)CCc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E06 compound treatment 0.103 0.232 0.33 -0.06 0.0114 0.02 -0.169 -0.118938564026647 -0.229078907241275 0.0716 0.1777 1428973 Maybridge4_003262 COC(=O)C1=C(C)NC(=O)CC1c2ccccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E07 compound treatment -0.1 0.0294 0.04 -0.021 0.0504 0.1 0.091 0.141061435973353 0.271688159942987 0.2385 0.8157 3178480 Maybridge4_003263 CSc1nc(nc(N)c1C#N)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E08 compound treatment -0.069 0.0604 0.09 -0.038 0.0334 0.07 -0.023 0.027061435973353 0.0521210612545026 0.1178 0.9799 1476870 Maybridge4_003264 COc1ccc2n(C3CC3)c(C)c(C(=O)ON4C(=O)CCC4=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E09 compound treatment 0.388 0.517 0.74 -0.069 0.00244 0.0 0.14 0.190061435973353 0.366063491835405 0.6388 0.7775 3178481 Maybridge4_003265 Cc1cccc(C)c1NC(=O)c2cnc(NC3CCCCC3)cc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E10 compound treatment -0.532 -0.403 -0.57 0.343 0.414 0.82 -0.511 -0.460938564026647 -0.887780203306728 -0.3706 -0.2773 3063905 Maybridge4_003266 FC(F)(F)c1cc(Cl)c2ncc(nc2c1)c3ccc(Br)s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E11 compound treatment -0.096 0.0334 0.05 -0.284 -0.213 -0.42 -0.421 -0.370938564026647 -0.714437756973714 -0.6274 -0.7559 3178482 Maybridge4_003267 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/c2ccsc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E12 compound treatment -0.141 -0.0116 -0.02 -1.177 -1.11 -2.18 -1.64 -1.58993856402665 -3.06226489119531 -3.0378 -0.8078 1329285 Maybridge4_003268 CC(C)C1CCC(C)CC1NCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E13 compound treatment -0.794 -0.665 -0.94 -0.211 -0.14 -0.28 -0.67 -0.619938564026647 -1.19401852516172 -1.394 -0.9009 3063910 Maybridge4_003269 COc1ccccc1c2nn(c3cccc(n3)C(F)(F)F)c(=O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E14 compound treatment -1.116 -0.987 -1.4 -0.429 -0.358 -0.71 -0.312 -0.261938564026647 -0.50450079419262 -1.5087 -0.9147 1482860 Maybridge4_003270 COc1ccc(Oc2ncccc2NC(=O)c3ccc(OC)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E15 compound treatment -0.117 0.0124 0.02 -0.104 -0.0326 -0.06 -0.056 -0.005938564026647 -0.0114378357342692 -0.0335 -0.4958 1317058 Maybridge4_003271 COc1ccc(CNc2nc(c3cccs3)c(C#N)c(=O)n2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E16 compound treatment 0.525 0.654 0.93 0.662 0.733 1.45 0.59 0.640061435973353 1.23277572350047 2.085 0.9848 3063941 Maybridge4_003272 Cc1n[nH]c(=S)n1/N=C\c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E17 compound treatment -0.881 -0.752 -1.07 0.176 0.247 0.49 -0.969 -0.918938564026647 -1.76990065242362 -1.3567 -0.6386 1597311 Maybridge4_003273 CCOC(CNc1ccc2nnc(c3ccccc3)n2n1)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E18 compound treatment -0.931 -0.802 -1.14 -0.385 -0.314 -0.62 -0.146 -0.095938564026647 -0.184780282067283 -1.1221 -0.8565 3063945 Maybridge4_003274 O=C1/C(=C\c2c[nH]c3ccccc23)/C(Oc4ccccc14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E19 compound treatment -0.849 -0.72 -1.02 -0.316 -0.245 -0.48 0.095 0.145061435973353 0.279392268668899 -0.7082 -0.6077 3178483 Maybridge4_003275 Cc1cc(Cc2ccc(cc2)C(F)(F)F)c(=O)[nH]n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E20 compound treatment -0.145 -0.0156 -0.02 -0.373 -0.302 -0.6 -0.344 -0.293938564026647 -0.566133663999913 -0.6834 -0.8315 1460994 Maybridge4_003276 CN(C)CCC(O)(CCc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E21 compound treatment 0.052 0.181 0.26 -0.054 0.0174 0.03 0.247 0.297061435973353 0.572148400253544 0.4991 0.7941 3063949 Maybridge4_003277 CN(C)/C=N/c1nnc(Sc2ccnc3cc(Cl)ccc23)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E22 compound treatment -2.284 -2.15 -3.06 -1.893 -1.82 -3.6 -2.38 -2.32993856402665 -4.48752500548898 -6.4361 -0.9877 1708827 Maybridge4_003278 CCOC(=O)COc1ccc(cc1)C2=Nc3ccccc3NC(C2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E23 mock treatment 0.064 0.193 0.27 0.113 0.184 0.36 0.149 0.199061435973353 0.383397736468707 0.5904 0.9905 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 E24 mock treatment -0.171 -0.0416 -0.06 0.018 0.0894 0.18 0.059 0.109061435973353 0.210055290135693 0.1891 0.6736 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F01 compound treatment -0.864 -0.735 -1.04 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 -0.4659 -0.4402 3063951 Maybridge4_003279 Brc1ccc(cc1)C(=O)C2C(=O)OC(=CC2=O)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F02 compound treatment -0.85 -0.721 -1.02 -0.619 -0.548 -1.08 -0.359 -0.308938564026647 -0.595024071722082 -1.5593 -0.9721 1535413 Maybridge4_003280 CN1CCN(CCN2C(=O)c3ccccc3Sc4cc(Cl)ccc4S2(=O)=O)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F03 compound treatment -0.66 -0.531 -0.75 -0.123 -0.0516 -0.1 0.152 0.202061435973353 0.389175818013141 -0.2696 -0.3154 1134402 Maybridge4_003281 O=S(=O)(N(CCC#N)C1CCCCC1)c2cccc3nsnc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F04 compound treatment -0.635 -0.506 -0.72 0.082 0.153 0.3 0.206 0.256061435973353 0.493181285812949 0.0446 0.0484 3178484 Maybridge4_003282 Cc1ccccc1/C=C/c2c[nH]c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F05 compound treatment -0.062 0.0674 0.1 -0.79 -0.719 -1.42 0.031 0.081061435973353 0.156126529054311 -0.6737 -0.4709 3063955 Maybridge4_003283 OC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F06 compound treatment 0.27 0.399 0.57 -0.106 -0.0346 -0.07 -0.042 0.00806143597335299 0.0155265448064219 0.2974 0.5198 1062519 Maybridge4_003284 O=C(C1CCCCC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F07 compound treatment 0.028 0.157 0.22 0.484 0.555 1.1 0.392 0.442061435973353 0.851422341567844 1.254 0.8917 3178485 Maybridge4_003285 O=C(OC[C@H]1O[C@@H](C#N)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F08 compound treatment -0.076 0.0534 0.08 0.0 0.0714 0.14 -0.028 0.022061435973353 0.0424909253471129 0.1498 0.9039 1658235 Maybridge4_003286 CC1(C)c2ccccc2N(CCC(=O)N)C31Oc4ccc5ccccc5c4C=C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F09 compound treatment 0.137 0.266 0.38 -1.864 -1.79 -3.54 -0.365 -0.314938564026647 -0.60658023481095 -2.175 -0.6023 1416171 Maybridge4_003287 OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F10 compound treatment 0.041 0.17 0.24 -0.38 -0.309 -0.61 -0.083 -0.032938564026647 -0.0634405696341733 -0.2485 -0.3772 1438412 Maybridge4_003288 O=C(Cn1nnc(n1)N2CCOCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F11 compound treatment 0.257 0.386 0.55 -0.391 -0.32 -0.63 -0.686 -0.635938564026647 -1.22483496006537 -0.7543 -0.5085 3178486 Maybridge4_003289 COc1cc(COC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1.C1CCC(CC1)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F12 compound treatment -1.471 -1.34 -1.91 -4.304 -4.23 -8.36 -5.225 -5.17493856402665 -9.9670723367937 -11.6808 -0.8885 1614817 Maybridge4_003290 COc1ccc(CCNC(=S)NC2CC2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F13 compound treatment -1.529 -1.4 -1.99 -0.186 -0.115 -0.23 0.013 0.063061435973353 0.121458039787708 -1.2094 -0.6027 3178487 Maybridge4_003291 CCN1/C(=C\C(=S)Nc2ccccc2)/Sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F14 compound treatment -1.214 -1.08 -1.54 -0.375 -0.304 -0.6 -0.211 -0.160938564026647 -0.309972048863349 -1.4153 -0.8408 1593331 Maybridge4_003292 CC(C)(C)C(=O)Cn1nnc(n1)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F15 compound treatment -1.056 -0.927 -1.32 -0.547 -0.476 -0.94 -0.936 -0.885938564026647 -1.70634175543485 -2.2879 -0.973 3063998 Maybridge4_003293 CC1=[N+](C)c2cc(ccc2C1(C)C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F16 compound treatment -3.206 -3.08 -4.37 -2.483 -2.41 -4.76 -0.755 -0.704938564026647 -1.35773083558734 -6.0585 -0.917 3178488 Maybridge4_003294 Fc1ccc(NC(=S)Nc2cc(ccc2N3CCCC3)C(F)(F)F)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F17 compound treatment -0.384 -0.255 -0.36 -0.194 -0.123 -0.24 0.17 0.220061435973353 0.423844307279743 -0.104 -0.1711 1142281 Maybridge4_003295 CN1C(=C(C(NC1=O)c2ccccc2)C(=O)OCc3ccccc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F18 compound treatment -1.123 -0.994 -1.41 -0.339 -0.268 -0.53 -0.568 -0.517938564026647 -0.99756375265097 -1.6966 -0.9382 1704243 Maybridge4_003296 COCc1cc(O)n2nc(Nc3cc(Cl)ccc3C)nc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F19 compound treatment -0.761 -0.632 -0.9 -0.222 -0.151 -0.3 0.067 0.117061435973353 0.225463507587516 -0.5599 -0.5758 1313602 Maybridge4_003297 O=c1cc(NCc2ccccc2)n(c3ccccc3)c(=O)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F20 compound treatment -0.778 -0.649 -0.92 -0.382 -0.311 -0.61 0.37 0.420061435973353 0.80904974357533 -0.4193 -0.3058 1473392 Maybridge4_003298 CCN(CC)C(=O)Sc1nc2ccccc2c(=O)n1CC3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F21 compound treatment -2.03 -1.9 -2.7 -1.444 -1.37 -2.71 -0.674 -0.623938564026647 -1.20172263388763 -3.8186 -0.952 1547311 Maybridge4_003299 OC(=O)C1(C2C3C14)C5C2CCC3C45C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F22 compound treatment -3.416 -3.29 -4.67 -2.778 -2.71 -5.34 -1.126 -1.07593856402665 -2.07228691991566 -6.9797 -0.9438 3064002 Maybridge4_003300 CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F23 mock treatment -0.352 -0.223 -0.32 0.538 0.609 1.2 -0.176 -0.125938564026647 -0.242561097511621 0.372 0.2934 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 F24 mock treatment -0.211 -0.0816 -0.12 -0.623 -0.552 -1.09 -0.513 -0.462938564026647 -0.891632257669684 -1.2105 -0.8571 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G01 compound treatment -0.75 -0.621 -0.88 0.079 0.15 0.3 -0.077 -0.026938564026647 -0.0518844065453057 -0.3679 -0.3945 1507436 Maybridge4_003301 Cc1cc(no1)N(Cc2cccc(Cl)c2Cl)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G02 compound treatment -0.275 -0.146 -0.21 0.0 0.0714 0.14 0.049 0.099061435973353 0.190795018320914 0.0721 0.2289 1593004 Maybridge4_003302 O=c1ccc(n[nH]1)c2ccncc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G03 compound treatment -1.685 -1.56 -2.21 -1.94 -1.87 -3.69 -0.353 -0.302938564026647 -0.583467908633215 -3.7439 -0.8625 3178489 Maybridge4_003303 CSC1=N/C(=C\c2ccccc2Cl)/C(=O)N1N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G04 compound treatment -0.246 -0.117 -0.17 0.145 0.216 0.43 0.4 0.450061435973353 0.866830559019668 0.6515 0.6644 3178490 Maybridge4_003304 COc1ccc(C/N=C(\C)/c2c(O)c3ccccc3n(C)c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G05 compound treatment -0.138 -0.00859 -0.01 -0.43 -0.359 -0.71 0.021 0.071061435973353 0.136866257239532 -0.3368 -0.467 3064042 Maybridge4_003305 CCN(C(=O)c1cnccc1C(F)(F)F)c2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G06 compound treatment -0.148 -0.0186 -0.03 -0.098 -0.0266 -0.05 -0.303 -0.252938564026647 -0.487166549559318 -0.3268 -0.666 1261792 Maybridge4_003306 Cc1ccc(Oc2ncccc2NC(=O)C(=S)NCc3ccccc3)c4CCCc41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G07 compound treatment -0.487 -0.358 -0.51 -0.794 -0.723 -1.43 -0.413 -0.362938564026647 -0.699029539521891 -1.5208 -0.9117 3064045 Maybridge4_003307 Cc1nc(c2nnc(o2)c3ccccc3)c(o1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G08 compound treatment -0.041 0.0884 0.13 -0.939 -0.868 -1.71 -0.312 -0.261938564026647 -0.50450079419262 -1.2077 -0.6746 3178491 Maybridge4_003308 COc1ccc(cc1OC2CCCC2)C3CC(=O)NN3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G09 compound treatment 0.222 0.351 0.5 -0.309 -0.238 -0.47 0.182 0.232061435973353 0.446956633457479 0.2757 0.337 3064046 Maybridge4_003309 CNC(=O)NC(=O)c1cnccc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G10 compound treatment -0.137 -0.00759 -0.01 -0.698 -0.627 -1.24 -0.772 -0.721938564026647 -1.39047329767247 -1.5233 -0.8184 1193128 Maybridge4_003310 Cc1c(OCc2ccc(Cl)cc2Cl)ccc3C(=O)CC(C)(C)Oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G11 compound treatment 0.254 0.383 0.55 -3.604 -3.53 -6.98 -3.095 -3.04493856402665 -5.8646344402457 -7.0983 -0.7775 3064048 Maybridge4_003311 COC(=O)c1cnc(Oc2c(Cl)cc(N)cc2Cl)cc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G12 compound treatment 0.027 0.156 0.22 -0.686 -0.615 -1.21 -0.758 -0.707938564026647 -1.36350891713178 -1.3594 -0.7393 1126959 Maybridge4_003312 COc1ccccc1C2CCN(CC2)C(=O)CSCc3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G13 compound treatment -0.194 -0.0646 -0.09 0.508 0.579 1.14 0.586 0.636061435973353 1.22507161477456 1.3148 0.7832 3064052 Maybridge4_003313 COc1cccc(OC)c1CN(C)C(=O)c2cnc(Oc3ccccc3)cc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G14 compound treatment -2.103 -1.97 -2.81 -2.375 -2.3 -4.55 -1.202 -1.15193856402665 -2.21866498570798 -5.527 -0.9551 1245694 Maybridge4_003314 NNC(=O)Cn1c2ccccc2c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G15 compound treatment -0.519 -0.39 -0.55 -0.131 -0.0596 -0.12 -0.027 0.023061435973353 0.0444169525285909 -0.3621 -0.6374 3064053 Maybridge4_003315 CC1CC(=O)NN=C1c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G16 compound treatment -0.557 -0.428 -0.61 -0.043 0.0284 0.06 -0.5 -0.449938564026647 -0.866593904310471 -0.8189 -0.7725 3178582 Maybridge4_003316 COc1cc(/C=N\n2cn[nH]c2=S)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G17 compound treatment -0.406 -0.277 -0.39 0.288 0.359 0.71 0.119 0.169061435973353 0.325616921024369 0.3707 0.424 1565631 Maybridge4_003317 CSc1nc2cccc(F)c2c(=O)n1c3ccc(C)c(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G18 compound treatment -0.129 4.09E-4 0.0 0.509 0.58 1.15 0.221 0.271061435973353 0.522071693535118 0.9634 0.765 1496711 Maybridge4_003318 Cc1ccccc1NC(=O)COc2ccc3C(=O)CC(C)(C)Oc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G19 compound treatment -0.358 -0.229 -0.33 -0.317 -0.246 -0.48 -0.151 -0.100938564026647 -0.194410417974673 -0.5798 -0.9424 3178583 Maybridge4_003319 CCc1nc(S)[nH]c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G20 compound treatment -1.129 -1.0 -1.42 -0.5 -0.429 -0.85 -0.138 -0.087938564026647 -0.16937206461546 -1.4069 -0.8461 1520911 Maybridge4_003320 O=C1CC(Sc2ccccc2N1)c3coc4ccccc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G21 compound treatment -0.855 -0.726 -1.03 -0.621 -0.55 -1.09 -0.068 -0.017938564026647 -0.0345501619120044 -1.2421 -0.8293 1387364 Maybridge4_003321 CC(=O)N1CCc2cc(NC(=S)Nc3ccccc3Cl)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G22 compound treatment -1.343 -1.21 -1.73 -1.389 -1.32 -2.6 -1.221 -1.17093856402665 -2.25525950215606 -3.8003 -0.9868 1175310 Maybridge4_003322 O=C(COc1ccc(cc1)C2=Nc3ccccc3NC(C2)c4ccccc4)Nc5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G23 mock treatment 0.095 0.224 0.32 -0.03 0.0414 0.08 0.042 0.092061435973353 0.177312828050568 0.3338 0.8924 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 G24 mock treatment 0.064 0.193 0.27 0.0 0.0714 0.14 0.205 0.255061435973353 0.491255258631471 0.5238 0.9026 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H01 compound treatment -1.146 -1.02 -1.45 -0.624 -0.553 -1.09 -0.083 -0.032938564026647 -0.0634405696341733 -1.501 -0.8284 3064847 Maybridge4_003323 N=C(NC(=S)Nc1ccccc1)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H02 compound treatment -0.034 0.0954 0.14 0.013 0.0844 0.17 0.105 0.155061435973353 0.298652540483678 0.347 0.9431 1265943 Maybridge4_003324 Oc1cc(c2ccc(F)cc2)n(c3ccccc3)c(=O)c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H03 compound treatment 1.75 1.88 1.97 2.059 2.13 2.8 0.925 0.975061435973353 1.87799482929558 3.8412 0.9828 1493327 Maybridge4_003325 CC(C)c1c(Br)c(=O)oc2c3CCCN4CCCc(cc12)c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H04 compound treatment -2.038 -1.91 -2.71 -1.398 -1.33 -2.62 -1.014 -0.963938564026647 -1.85657187559013 -4.1509 -0.9874 1020946 Maybridge4_003326 NC(=O)NCCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H05 compound treatment -1.481 -1.35 -1.92 -0.888 -0.817 -1.61 -0.656 -0.605938564026647 -1.16705414462103 -2.7141 -0.981 3064848 Maybridge4_003327 C/C(=N/O)/CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H06 compound treatment -0.414 -0.285 -0.4 -0.248 -0.177 -0.35 -0.162 -0.111938564026647 -0.21559671697093 -0.5594 -0.9712 1378346 Maybridge4_003328 Cn1c(=O)n(C)c2ncn(CC(O)COc3ccccc3)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H07 compound treatment 0.165 0.294 0.42 -0.518 -0.447 -0.88 -0.213 -0.162938564026647 -0.313824103226304 -0.4486 -0.4375 3064849 Maybridge4_003329 CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H08 compound treatment -0.299 -0.17 -0.24 0.082 0.153 0.3 0.704 0.754061435973353 1.45234282218896 0.8742 0.5816 1554777 Maybridge4_003330 CCn1c2C(=O)CCCc2c3cc(OCc4ccccc4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H09 compound treatment 0.621 0.75 1.07 -0.008 0.0634 0.13 -0.209 -0.158938564026647 -0.306119994500393 0.5116 0.458 3064850 Maybridge4_003331 OC1=C(C(=O)c2ccccc12)c3ccc(I)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H10 compound treatment -1.24 -1.11 -1.58 -0.891 -0.82 -1.62 -2.061 -2.01093856402665 -3.87312233459752 -4.0821 -0.9102 3178584 Maybridge4_003332 FC(F)(F)c1cccc(c1)n2c(S)nnc2Cn3nnc(n3)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H11 compound treatment -0.431 -0.302 -0.43 -0.787 -0.716 -1.41 -0.815 -0.764938564026647 -1.47329246647602 -1.9139 -0.9176 1668484 Maybridge4_003333 Fc1ccc(cc1)N(C(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H12 compound treatment 0.018 0.147 0.21 -0.622 -0.551 -1.09 -0.312 -0.261938564026647 -0.50450079419262 -0.7979 -0.6558 3064851 Maybridge4_003334 COc1ccc(CCN/2C(=O)CS\C2=N/C3CC3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H13 compound treatment -0.304 -0.175 -0.25 -0.053 0.0184 0.04 0.2 0.250061435973353 0.481625122724081 0.1558 0.2868 1561039 Maybridge4_003335 O=c1[nH]c2ccccc2c(=O)n1CCSc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H14 compound treatment -1.286 -1.16 -1.64 -1.191 -1.12 -2.21 -0.797 -0.746938564026647 -1.43862397720942 -3.0563 -0.9833 3064852 Maybridge4_003336 CC/N=C(/Nc1ccc(cc1)C(C)(C)C)\SCC2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H15 compound treatment 0.696 0.825 1.17 0.322 0.393 0.78 0.41 0.460061435973353 0.886090830834447 1.6376 0.9847 1155855 Maybridge4_003337 Oc1c(O)c(CN2CCCCC2)c3ccccc3c1CN4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H16 compound treatment -0.317 -0.188 -0.27 -0.063 0.00844 0.02 0.328 0.378061435973353 0.728156601953257 0.276 0.3559 3064853 Maybridge4_003338 COC(=O)c1cccc(NC(=N)NC(=N)N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H17 compound treatment -0.526 -0.397 -0.56 -0.277 -0.206 -0.41 -0.381 -0.330938564026647 -0.637396669714597 -0.9279 -0.9841 3178585 Maybridge4_003339 Clc1ccc(cc1)S(=O)(=O)C2=CC34CCCC4(C2)C=C(C3)S(=O)(=O)c5ccc(Cl)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H18 compound treatment -0.002 0.127 0.18 -0.069 0.00244 0.0 -0.047 0.003061435973353 0.00589640889903222 0.1108 0.6109 3064854 Maybridge4_003340 CC(=C)CC1C(=NNC1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H19 compound treatment -0.924 -0.795 -1.13 -0.293 -0.222 -0.44 -0.195 -0.144938564026647 -0.279155613959702 -1.066 -0.8574 3178586 Maybridge4_003341 CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)n3cnc4c(N)ncnc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H20 compound treatment -1.015 -0.886 -1.26 -0.242 -0.171 -0.34 -0.145 -0.094938564026647 -0.182854254885805 -1.027 -0.7803 3064855 Maybridge4_003342 Clc1ccc(NC(=S)NCC2CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H21 compound treatment -0.03 0.0994 0.14 0.431 0.502 0.99 -0.021 0.029061435973353 0.0559731156174584 0.6867 0.6842 1331091 Maybridge4_003343 CN(C)CCNc1cc(nc2ccccc12)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H22 compound treatment -1.105 -0.976 -1.39 -0.309 -0.238 -0.47 -0.564 -0.513938564026647 -0.989859643925058 -1.6431 -0.9297 1734961 Maybridge4_003344 CCCc1c(Cc2c(F)cccc2Cl)c(=O)oc3cc(O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H23 mock treatment 0.237 0.366 0.52 0.344 0.415 0.82 0.439 0.489061435973353 0.941945619097307 1.3182 0.974 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 H24 mock treatment 0.029 0.158 0.23 0.13 0.201 0.4 0.145 0.195061435973353 0.375693627742795 0.5766 0.9745 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I01 compound treatment -1.394 -1.26 -1.8 -0.327 -0.256 -0.5 -0.291 -0.240938564026647 -0.464054223381583 -1.5973 -0.8301 3178587 Maybridge4_003345 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I02 compound treatment -0.036 0.0934 0.13 0.068 0.139 0.28 -0.065 -0.014938564026647 -0.0287720803675706 0.219 0.7134 1626253 Maybridge4_003346 CSc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I03 compound treatment -0.1 0.0294 0.04 0.0 0.0714 0.14 0.074 0.124061435973353 0.238945697857862 0.2435 0.8679 1244996 Maybridge4_003347 CCNC(=O)N(Cc1ccccc1)Cc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I04 compound treatment -0.16 -0.0306 -0.04 -1.173 -1.1 -2.18 -0.725 -0.674938564026647 -1.29995002014301 -2.0314 -0.8016 1073759 Maybridge4_003348 CSc1ncc(Br)c(n1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I05 compound treatment 2.085 2.21 2.08 1.328 1.4 2.39 0.168 0.218061435973353 0.419992252916788 2.8239 0.8834 3178588 Maybridge4_003349 CC(C)(C)NC(=O)Nc1cnccc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I06 compound treatment -0.641 -0.512 -0.73 -0.2 -0.129 -0.25 -0.025 0.025061435973353 0.0482690068915467 -0.5386 -0.6978 3064856 Maybridge4_003350 CCOC(=O)CC1=Nn2c(nnc2SC1)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I07 compound treatment -0.773 -0.644 -0.92 -0.041 0.0304 0.06 0.738 0.788061435973353 1.51782774635921 0.3827 0.2158 3178589 Maybridge4_003351 Cc1nc(C(=O)NCC(=O)c2ccc(Cl)cc2)c(o1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I08 compound treatment 0.107 0.236 0.34 -0.412 -0.341 -0.67 0.05 0.100061435973353 0.192721045502392 -0.0829 -0.1068 1403866 Maybridge4_003352 O=c1cc([nH]c(=O)[nH]1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I09 compound treatment -0.176 -0.0466 -0.07 0.018 0.0894 0.18 -0.21 -0.159938564026647 -0.308046021681871 -0.1141 -0.316 3178590 Maybridge4_003353 COc1ccc(CN(C)C(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I10 compound treatment -1.323 -1.19 -1.7 -0.236 -0.165 -0.32 -0.022 0.028061435973353 0.0540470884359805 -1.1362 -0.6572 1529338 Maybridge4_003354 CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I11 compound treatment 0.224 0.353 0.5 -0.13 -0.0586 -0.12 -0.181 -0.130938564026647 -0.252191233419011 0.0777 0.1354 3064857 Maybridge4_003355 CN(C(=O)c1cn(C)c(=O)cc1C(F)(F)F)c2ccc(Cl)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I12 compound treatment -0.506 -0.377 -0.54 -0.364 -0.293 -0.58 -0.561 -0.510938564026647 -0.984081562380625 -1.2108 -0.9606 1141964 Maybridge4_003356 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3cccc4nonc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I13 compound treatment -0.353 -0.224 -0.32 0.06 0.131 0.26 -0.129 -0.078938564026647 -0.152037819982158 -0.1215 -0.2776 3064858 Maybridge4_003357 CSc1nc(Nc2cccc(c2)C(F)(F)F)cc(c1C#N)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I14 compound treatment -0.662 -0.533 -0.76 -0.244 -0.173 -0.34 0.013 0.063061435973353 0.121458039787708 -0.5638 -0.6718 1260487 Maybridge4_003358 Cc1ccc(Sc2ncccc2NC(=O)c3cccc4ccccc34)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I15 compound treatment -0.108 0.0214 0.03 0.053 0.124 0.25 0.189 0.239061435973353 0.460438823727824 0.4253 0.8135 1269491 Maybridge4_003359 CCOC(=O)c1cnn2c1nc(Sc3cccc(OC)c3)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I16 compound treatment -0.916 -0.787 -1.12 -0.305 -0.234 -0.46 -1.0 -0.949938564026647 -1.82960749504944 -1.9683 -0.8974 1008109 Maybridge4_003360 S=C(Nc1ccccn1)Nc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I17 compound treatment -0.718 -0.589 -0.84 -0.129 -0.0576 -0.11 -1.2 -1.14993856402665 -2.21481293134502 -1.8275 -0.771 3064859 Maybridge4_003361 O/N=C/Nc1ccc2nnc(c3ccccc3)n2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I18 compound treatment -0.864 -0.735 -1.04 -0.34 -0.269 -0.53 -0.208 -0.157938564026647 -0.304193967318915 -1.0848 -0.8964 1290576 Maybridge4_003362 Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I19 compound treatment -0.422 -0.293 -0.42 -0.18 -0.109 -0.21 -0.024 0.026061435973353 0.0501950340730246 -0.335 -0.7117 3064860 Maybridge4_003363 Cc1ccc(Cc2cc(C)n[nH]c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I20 compound treatment -0.221 -0.0916 -0.13 -0.451 -0.38 -0.75 -0.333 -0.282938564026647 -0.544947365003656 -0.8225 -0.879 1499068 Maybridge4_003364 CC(=O)NC1C(c2ccccc2)S(=O)(=O)c3ccccc3NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I21 compound treatment -0.177 -0.0476 -0.07 -0.125 -0.0536 -0.11 -0.049 0.00106143597335299 0.00204435453607635 -0.0989 -0.788 1721722 Maybridge4_003365 CC(=O)N1CCc2cc(NC(=S)NCc3cccs3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I22 compound treatment -1.175 -1.05 -1.49 -0.643 -0.572 -1.13 -0.873 -0.822938564026647 -1.58500204300174 -2.425 -0.9903 1210152 Maybridge4_003366 CCC(=O)N1C(CC(=Nc2ccccc12)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I23 mock treatment -0.707 -0.578 -0.82 0.306 0.377 0.75 0.113 0.163061435973353 0.314060757935501 0.1375 0.1193 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 I24 mock treatment -0.408 -0.279 -0.4 -0.089 -0.0176 -0.03 0.092 0.142061435973353 0.273614187124465 -0.0907 -0.188 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J01 compound treatment -1.316 -1.19 -1.69 -0.31 -0.239 -0.47 -0.173 -0.122938564026647 -0.236783015967187 -1.3827 -0.7823 1243119 Maybridge4_003367 Cc1c(O)c(c2ccccc2)c(=O)n(c3ccccn3)c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J02 compound treatment -1.231 -1.1 -1.57 0.048 0.119 0.24 -0.347 -0.296938564026647 -0.571911745544347 -1.0983 -0.6522 1140611 Maybridge4_003368 CCCCc1c(O)cc(c2ccccc2)n(Cc3ccccc3)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J03 compound treatment -0.693 -0.564 -0.8 -0.364 -0.293 -0.58 -0.343 -0.292938564026647 -0.564207636818436 -1.1219 -0.9862 3178591 Maybridge4_003369 Cc1ccc(cc1)C(=O)/C=C\2/NCCNC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J04 compound treatment -0.533 -0.404 -0.57 -0.5 -0.429 -0.85 -0.012 0.038061435973353 0.0733073602507598 -0.7775 -0.7585 3178682 Maybridge4_003370 CC(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J05 compound treatment -2.159 -2.03 -2.89 -1.045 -0.974 -1.92 -0.604 -0.553938564026647 -1.06690073118418 -3.3918 -0.935 1447328 Maybridge4_003371 CC(C)(C)C(=O)CC(Nc1ccccc1)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J06 compound treatment -0.177 -0.0476 -0.07 -0.165 -0.0936 -0.18 0.053 0.103061435973353 0.198499127046825 -0.0311 -0.1114 1256088 Maybridge4_003372 C=CCC1(CCCCC1)NCCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J07 compound treatment 0.3 0.429 0.61 0.2 0.271 0.54 0.092 0.142061435973353 0.273614187124465 0.8199 0.9564 1171716 Maybridge4_003373 CN1CCCC(C1)OC(=O)C2=C(C)NC3(O)c4ccccc4C(=O)C23O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J08 compound treatment -1.525 -1.4 -1.98 -1.381 -1.31 -2.59 -0.733 -0.682938564026647 -1.31535823759483 -3.3979 -0.9668 1583880 Maybridge4_003374 CC(C)(C)Oc1ccc(CC(CO)NC(=O)OCC2c3ccccc3-c4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J09 compound treatment -1.405 -1.28 -1.81 -0.537 -0.466 -0.92 -0.145 -0.094938564026647 -0.182854254885805 -1.6834 -0.8246 1604468 Maybridge4_003375 COc1ccccc1C2CCN(CC2)S(=O)(=O)c3ccccc3Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J10 compound treatment 0.903 1.03 1.47 0.594 0.665 1.31 0.677 0.727061435973353 1.40034008828905 2.4145 0.999 3064861 Maybridge4_003376 Cc1cc(OC(=O)c2ccco2)nc(SCc3c(Cl)cccc3Cl)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J11 compound treatment 0.063 0.192 0.27 -0.133 -0.0616 -0.12 -0.757 -0.706938564026647 -1.3615828899503 -0.6983 -0.5009 3178683 Maybridge4_003377 CC(C)C1(C)N2C(=O)c3ccccc3C2=NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J12 compound treatment -0.212 -0.0826 -0.12 -0.062 0.00944 0.02 0.163 0.213061435973353 0.410362117009398 0.1799 0.421 3064862 Maybridge4_003378 O=C1CS/C(=N\C2CC2)/N1Cc3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J13 compound treatment -2.687 -2.56 -3.64 -1.559 -1.49 -2.94 -0.688 -0.637938564026647 -1.22868701442832 -4.5046 -0.932 1167872 Maybridge4_003379 OC(=O)CNC(=O)CSc1ccccn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J14 compound treatment -0.424 -0.295 -0.42 -0.065 0.00644 0.01 0.205 0.255061435973353 0.491255258631471 0.0491 0.0761 1457281 Maybridge4_003380 COCc1cc(OC(=O)N(C)C)nc(n1)c2ccncc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J15 compound treatment 0.451 0.58 0.83 0.607 0.678 1.34 0.118 0.168061435973353 0.323690893842891 1.4367 0.8944 3178684 Maybridge4_003381 CN(C)/C=N/n1cnc2sc3CCCCc3c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J16 compound treatment -0.831 -0.702 -1.0 -0.783 -0.712 -1.4 -0.25 -0.199938564026647 -0.385087108940988 -1.6094 -0.9115 3178685 Maybridge4_003382 NC(=N)NC(=N)Nc1cc(n[nH]1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J17 compound treatment -0.548 -0.419 -0.6 0.015 0.0864 0.17 0.198 0.248061435973353 0.477773068361126 0.0308 0.0394 1294257 Maybridge4_003383 COc1cc(Cc2cc(OC)c(C)cc2OC)c(OC)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J18 compound treatment -0.552 -0.423 -0.6 -0.065 0.00644 0.01 -0.2 -0.149938564026647 -0.288785749867091 -0.5063 -0.7593 3178686 Maybridge4_003384 CCCCc1c(C)nc(nc1O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J19 compound treatment -0.579 -0.45 -0.64 -0.37 -0.299 -0.59 -0.194 -0.143938564026647 -0.277229586778224 -0.8695 -0.9527 3176922 Maybridge4_003385 OC[C@H]1O[C@H](C[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J20 compound treatment -0.526 -0.397 -0.56 -0.514 -0.443 -0.87 -0.043 0.007061435973353 0.013600517624944 -0.8222 -0.7905 3064863 Maybridge4_003386 COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J21 compound treatment -1.038 -0.909 -1.29 -0.444 -0.373 -0.74 0.14 0.190061435973353 0.366063491835405 -0.9592 -0.6265 1169652 Maybridge4_003387 C1CN(CCO1)c2c3CCc4ccccc4-c3nc5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J22 compound treatment -1.935 -1.81 -2.57 -2.278 -2.21 -4.36 -1.424 -1.37393856402665 -2.64624301999608 -5.5254 -0.9681 1608425 Maybridge4_003388 CCCC1=NN(C(=O)C(C)(C)C)C(=O)C1Cc2c(F)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J23 mock treatment -0.287 -0.158 -0.22 0.017 0.0884 0.17 0.028 0.078061435973353 0.150348447509877 0.0583 0.1813 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 J24 mock treatment 0.108 0.237 0.34 -0.694 -0.623 -1.23 -0.9 -0.849938564026647 -1.63700477690164 -1.46 -0.7037 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K01 compound treatment 0.017 0.146 0.21 -0.77 -0.699 -1.38 -0.397 -0.346938564026647 -0.668213104618244 -1.062 -0.6866 3064864 Maybridge4_003389 CSC1=N/C(=C\c2ccccc2O)/C(=O)N1Cc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K02 compound treatment -1.353 -1.22 -1.74 -0.778 -0.707 -1.4 -0.192 -0.141938564026647 -0.273377532415268 -1.9677 -0.8758 1422721 Maybridge4_003390 CCOC(=O)c1cnn(C(=O)COc2ccc(C)c3CCCc32)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K03 compound treatment 0.295 0.424 0.6 0.54 0.611 1.21 0.286 0.336061435973353 0.647263460331183 1.4191 0.9481 3178687 Maybridge4_003391 CSC1=N/C(=C\c2ccc(Cl)cc2)/C(=O)N1CCc3c[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K04 compound treatment -0.222 -0.0926 -0.13 -0.172 -0.101 -0.2 -0.167 -0.116938564026647 -0.22522685287832 -0.3207 -0.9781 1502240 Maybridge4_003392 COC(=O)c1[nH]c(C(=O)OC)c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K05 compound treatment -0.465 -0.336 -0.48 0.038 0.109 0.22 0.147 0.197061435973353 0.379545682105751 0.0684 0.1058 3064865 Maybridge4_003393 COc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K06 compound treatment 0.063 0.192 0.27 0.946 1.02 2.01 0.657 0.707061435973353 1.3618195446595 2.1041 0.8615 3178688 Maybridge4_003394 CCOC(=O)/C=C(\C)/Nc1cccc(N\C(=C\C(=O)OCC)\C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K07 compound treatment -1.284 -1.15 -1.64 -0.795 -0.724 -1.43 -0.573 -0.522938564026647 -1.00719388855836 -2.3541 -0.9817 3064866 Maybridge4_003395 FC(F)(F)c1ccc(cc1)c2nc(NC(=O)Nc3ccccc3)cs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K08 compound treatment -0.408 -0.279 -0.4 -0.092 -0.0206 -0.04 -0.157 -0.106938564026647 -0.20596658106354 -0.371 -0.8277 1570272 Maybridge4_003396 CCC1N(CCc2c1[nH]c3ccccc23)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K09 compound treatment -0.769 -0.64 -0.91 -0.169 -0.0976 -0.19 -0.117 -0.066938564026647 -0.128925493804423 -0.7107 -0.7573 3064867 Maybridge4_003397 FC(F)(F)c1ccncc1C(=O)NC(=O)Nc2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K10 compound treatment -0.681 -0.552 -0.78 -0.096 -0.0246 -0.05 -0.321 -0.270938564026647 -0.521835038825921 -0.7821 -0.8291 1687043 Maybridge4_003398 Cc1cc(C)c(COc2ccc3C(=O)CC(C)(C)Oc3c2C)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K11 compound treatment -0.667 -0.538 -0.76 -0.279 -0.208 -0.41 -0.419 -0.368938564026647 -0.710585702610758 -1.0882 -0.9705 3064868 Maybridge4_003399 FC(F)(F)c1ccc(nc1)n2nc(oc2=O)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K12 compound treatment -0.012 0.117 0.17 -0.239 -0.168 -0.33 -0.457 -0.406938564026647 -0.78377473550692 -0.5472 -0.6311 1713701 Maybridge4_003400 COc1cccc(c1)C2CCN(CC2)C(=O)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K13 compound treatment -0.559 -0.43 -0.61 0.091 0.162 0.32 0.197 0.247061435973353 0.475847041179648 0.1073 0.128 3064869 Maybridge4_003401 Cc1cc(C)c2c(=O)cc(oc2c1)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K14 compound treatment -0.469 -0.34 -0.48 0.138 0.209 0.41 0.192 0.242061435973353 0.466216905272258 0.2292 0.2907 3178689 Maybridge4_003402 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccnc2Sc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K15 compound treatment -0.509 -0.38 -0.54 0.279 0.35 0.69 0.507 0.557061435973353 1.07291546743781 0.7073 0.5103 1294252 Maybridge4_003403 CCOC(=O)c1cnn2c1nc(Sc3ccc(C)cc3)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K16 compound treatment -0.638 -0.509 -0.72 -0.312 -0.241 -0.47 0.016 0.066061435973353 0.127236121332142 -0.6183 -0.707 1553374 Maybridge4_003404 C1CN(CCO1)c2nnc(c3ccccc3)c(n2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K17 compound treatment -0.371 -0.242 -0.34 0.161 0.232 0.46 0.016 0.066061435973353 0.127236121332142 0.1401 0.2386 1663105 Maybridge4_003405 COc1ccc(Cc2cc(n[nH]c2=O)c3cccs3)c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K18 compound treatment -0.359 -0.23 -0.33 -0.418 -0.347 -0.68 0.094 0.144061435973353 0.277466241487421 -0.4233 -0.5244 3064947 Maybridge4_003406 OC[C@H]1OC(Oc2ccc(cc2)c3coc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K19 compound treatment -0.894 -0.765 -1.09 -0.297 -0.226 -0.45 -0.075 -0.024938564026647 -0.0480323521823499 -0.9125 -0.7761 1252838 Maybridge4_003407 Cc1cc(C)n(NC(=S)NC2CCCC2)c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K20 compound treatment -0.737 -0.608 -0.86 -0.371 -0.3 -0.59 0.012 0.062061435973353 0.11953201260623 -0.7712 -0.7319 1353357 Maybridge4_003408 S=C1CC(Sc2ccccc2N1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K21 compound treatment -1.806 -1.68 -2.38 -2.162 -2.09 -4.13 -0.747 -0.696938564026647 -1.34232261813552 -4.5345 -0.9157 1332355 Maybridge4_003409 CC(=O)N1CCc2cc(NC(=S)NC3CCCCCC3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K22 compound treatment -0.581 -0.452 -0.64 -0.269 -0.198 -0.39 -0.247 -0.196938564026647 -0.379309027396554 -0.8149 -0.9683 3064948 Maybridge4_003410 CNC(=O)c1cc(OC)ccc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K23 mock treatment -0.547 -0.418 -0.59 -0.174 -0.103 -0.2 -0.625 -0.574938564026647 -1.10734730199521 -1.099 -0.8636 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 K24 mock treatment -0.532 -0.403 -0.57 0.269 0.34 0.67 0.029 0.079061435973353 0.152274474691355 0.1455 0.1624 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L01 compound treatment -0.057 0.0724 0.1 0.544 0.615 1.22 0.046 0.096061435973353 0.18501693677648 0.8678 0.7036 3064949 Maybridge4_003411 Cc1ncc(CO)c(/C=N/O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L02 compound treatment -0.553 -0.424 -0.6 -0.132 -0.0606 -0.12 -0.113 -0.062938564026647 -0.121221385078511 -0.4867 -0.7777 2085598 Maybridge4_003412 CSc1sc(=S)sc1SC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L03 compound treatment -1.872 -1.74 -2.48 -3.405 -3.33 -6.58 -1.048 -0.997938564026647 -1.92205679976038 -6.3403 -0.8696 1341478 Maybridge4_003413 NNC(=O)CC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L04 compound treatment -0.633 -0.504 -0.72 -0.477 -0.406 -0.8 -0.081 -0.030938564026647 -0.0595885152712175 -0.9101 -0.846 1914392 Maybridge4_003414 O=C(c1ccccc1)n2ccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L05 compound treatment -0.61 -0.481 -0.68 -0.349 -0.278 -0.55 -0.159 -0.108938564026647 -0.209818635426496 -0.8321 -0.9238 3178690 Maybridge4_003415 C(SC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L06 compound treatment -0.312 -0.183 -0.26 -0.172 -0.101 -0.2 -0.187 -0.136938564026647 -0.263747396507878 -0.4168 -0.9924 1103414 Maybridge4_003416 OC(=O)C1CCCN1C(=O)OCC2c3ccccc3-c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L07 compound treatment -0.388 -0.259 -0.37 0.093 0.164 0.32 0.244 0.294061435973353 0.56637031870911 0.3022 0.4033 3064950 Maybridge4_003417 Oc1ccccc1c2cc(c(C#N)c(=O)[nH]2)c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L08 compound treatment -1.119 -0.99 -1.41 -0.754 -0.683 -1.35 -0.441 -0.390938564026647 -0.752958300603273 -2.0252 -0.9695 3178691 Maybridge4_003418 FC(F)(F)c1cccc(c1)N2CCN(CC2)C3=Cc4ccccc4C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L09 compound treatment 0.117 0.246 0.35 -0.318 -0.247 -0.49 -0.064 -0.013938564026647 -0.0268460531860926 -0.0943 -0.1571 3064952 Maybridge4_003419 O=C(/C=C\1/NCCOC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L10 compound treatment 0.068 0.197 0.28 -0.409 -0.338 -0.67 -0.65 -0.599938564026647 -1.15549798153216 -0.8899 -0.6528 1604086 Maybridge4_003420 Clc1cccc(Cl)c1Cn2nnc(n2)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L11 compound treatment -0.083 0.0464 0.07 0.094 0.165 0.33 0.023 0.073061435973353 0.140718311602487 0.3079 0.8512 1004954 Maybridge4_003421 N(C(=Nc1ccccc1)Nc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L12 compound treatment -0.027 0.102 0.15 1.465 1.54 2.48 0.653 0.703061435973353 1.35411543593358 2.2999 0.8119 3178692 Maybridge4_003422 CC1CN(CC(C)O1)c2ccc(NC(=S)NCc3ccco3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L13 compound treatment -0.6 -0.471 -0.67 0.141 0.212 0.42 0.149 0.199061435973353 0.383397736468707 0.0772 0.088 3178693 Maybridge4_003423 FC(F)(F)C(NC(=O)Oc1ccccc1)(Oc2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L14 compound treatment -0.717 -0.588 -0.84 -0.25 -0.179 -0.35 0.0 0.050061435973353 0.096419686428495 -0.6302 -0.6911 3064954 Maybridge4_003424 COCc1cc(O)nc(SCC(=O)C(C)(C)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L15 compound treatment -0.386 -0.257 -0.36 -0.366 -0.295 -0.58 -0.017 0.033061435973353 0.0636772243433702 -0.5097 -0.7392 1022292 Maybridge4_003425 O=C1NC(Cc2ccccc2)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L16 compound treatment -0.48 -0.351 -0.5 -0.058 0.0134 0.03 -0.517 -0.466938564026647 -0.899336366395596 -0.7917 -0.7697 3064955 Maybridge4_003426 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nnn(CC(=O)c3ccc(Cl)cc3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L17 compound treatment -0.65 -0.521 -0.74 0.0 0.0714 0.14 -0.148 -0.097938564026647 -0.188632336430239 -0.4548 -0.5855 1517030 Maybridge4_003427 CC(=O)Oc1ccc(OC(=O)C)c2cc3c(OC(=O)C)ccc(OC(=O)C)c3cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L18 compound treatment -0.308 -0.179 -0.25 -0.115 -0.0436 -0.09 0.241 0.291061435973353 0.560592237164677 0.1274 0.205 3064957 Maybridge4_003428 CCN(CC)C(=S)Oc1nc(nc(C)c1CC(=C)C)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L19 compound treatment 0.117 0.246 0.35 -0.221 -0.15 -0.3 0.189 0.239061435973353 0.460438823727824 0.2976 0.4581 1414175 Maybridge4_003429 NNC(=O)C1C(C1c2ccccc2)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L20 compound treatment -1.033 -0.904 -1.28 -0.459 -0.388 -0.77 -0.515 -0.464938564026647 -0.89548431203264 -1.7006 -0.9757 1151671 Maybridge4_003430 CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1CC3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L21 compound treatment 0.08 0.209 0.3 -0.258 -0.187 -0.37 0.258 0.308061435973353 0.593334699249801 0.3018 0.3975 1294591 Maybridge4_003431 C1CCN(CC1)c2cc(nc3ccccc23)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L22 compound treatment -2.667 -2.54 -3.61 -2.116 -2.04 -4.04 -2.039 -1.98893856402665 -3.83074973660501 -6.6255 -0.999 3178694 Maybridge4_003432 CCCC1=NN(C(=O)/C=C/c2cccs2)C(=O)C1Cc3c(F)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L23 mock treatment -0.043 0.0864 0.12 -0.039 0.0324 0.06 0.0 0.050061435973353 0.096419686428495 0.1636 0.9691 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 L24 mock treatment 0.612 0.741 1.05 0.077 0.148 0.29 0.101 0.151061435973353 0.290948431757766 0.9458 0.8354 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M01 compound treatment -0.13 -5.91E-4 0.0 -0.038 0.0334 0.07 0.405 0.455061435973353 0.876460694927057 0.5437 0.6185 1614322 Maybridge4_003433 CC(C)NC(=O)N(Cc1ccccc1)Cc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M02 compound treatment -1.065 -0.936 -1.33 -0.469 -0.398 -0.78 -0.037 0.013061435973353 0.0251566807138115 -1.2067 -0.7811 1632856 Maybridge4_003434 CCCCn1c(O)cc(C)c(C#N)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M03 compound treatment 0.21 0.339 0.48 -0.172 -0.101 -0.2 -0.081 -0.030938564026647 -0.0595885152712175 0.1296 0.2467 3178695 Maybridge4_003435 CSC1=N/C(=C\Nc2cccc(Cl)c2)/C(=O)N1Cc3cccc(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M04 compound treatment -0.75 -0.621 -0.88 -0.145 -0.0736 -0.15 -0.063 -0.012938564026647 -0.0249200260046147 -0.6077 -0.6793 1626500 Maybridge4_003436 S=C(NCC1CC1)Nc2ccc3[nH]ccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M05 compound treatment -0.045 0.0844 0.12 0.267 0.338 0.67 -0.253 -0.202938564026647 -0.390865190485422 0.2294 0.2929 3178774 Maybridge4_003437 FC(F)(F)c1ccncc1C(=O)Nc2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M06 compound treatment -0.406 -0.277 -0.39 0.0 0.0714 0.14 0.119 0.169061435973353 0.325616921024369 0.0424 0.08 3064958 Maybridge4_003438 NNC(=O)CC1=Nn2c(nnc2SC1)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M07 compound treatment -0.152 -0.0226 -0.03 0.082 0.153 0.3 0.421 0.471061435973353 0.907277129830704 0.6802 0.7107 3178775 Maybridge4_003439 CCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c2cnc(OC)cc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M08 compound treatment -0.105 0.0244 0.03 -0.137 -0.0656 -0.13 -0.16 -0.109938564026647 -0.211744662607974 -0.177 -0.7061 1042478 Maybridge4_003440 CNc1cc(=O)n(C)c(=O)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M09 compound treatment -0.531 -0.402 -0.57 -0.143 -0.0716 -0.14 0.013 0.063061435973353 0.121458039787708 -0.3411 -0.5679 3064959 Maybridge4_003441 Fc1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M10 compound treatment -0.905 -0.776 -1.1 -0.357 -0.286 -0.56 -0.398 -0.347938564026647 -0.670139131799722 -1.3491 -0.958 1313888 Maybridge4_003442 COc1cc(ccc1O)C2=NC(O)C(=O)Nc3ccc(Cl)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M11 compound treatment 0.218 0.347 0.49 -2.434 -2.36 -4.66 -1.414 -1.36393856402665 -2.6269827481813 -3.9248 -0.73 3064960 Maybridge4_003443 NNC(=O)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M12 compound treatment 0.0 0.129 0.18 -0.927 -0.856 -1.69 -0.791 -0.740938564026647 -1.42706781412055 -1.693 -0.7629 3178776 Maybridge4_003444 Fc1ccc(cc1)c2nnc(CSCc3cccc4ccccc34)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M13 compound treatment 0.0 0.129 0.18 -0.055 0.0164 0.03 0.058 0.108061435973353 0.208129262954215 0.2451 0.8764 3178777 Maybridge4_003445 Clc1ccc(cc1)C(=O)CC(C(=O)c2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M14 compound treatment -1.12 -0.991 -1.41 -0.741 -0.67 -1.32 -0.342 -0.291938564026647 -0.562281609636958 -1.9011 -0.9449 3064961 Maybridge4_003446 Nn1c(cc(c(C#N)c1=O)C(F)(F)F)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M15 compound treatment -0.416 -0.287 -0.41 0.12 0.191 0.38 0.28 0.330061435973353 0.635707297242316 0.35 0.4145 3178778 Maybridge4_003447 CCOC(=O)c1cnn2c1nc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M16 compound treatment -0.159 -0.0296 -0.04 0.291 0.362 0.72 0.274 0.324061435973353 0.624151134153448 0.7492 0.7882 1593342 Maybridge4_003448 CC(C)NC(=O)c1cccc2cccc(Sc3ccccc3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M17 compound treatment -0.812 -0.683 -0.97 -0.54 -0.469 -0.93 -0.741 -0.690938564026647 -1.33076645504665 -1.8628 -0.9861 1609655 Maybridge4_003449 O=c1[nH]nc(cc1CC2CCCCC2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M18 compound treatment -0.6 -0.471 -0.67 -0.327 -0.256 -0.5 0.277 0.327061435973353 0.629929215697882 -0.3139 -0.2995 1690877 Maybridge4_003450 O=c1n(c2ccccc2)c(=O)n3C4CCC(C4)n31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M19 compound treatment -0.106 0.0234 0.03 0.255 0.326 0.64 0.058 0.108061435973353 0.208129262954215 0.5115 0.7543 1634815 Maybridge4_003451 Cc1cc(C)n(NC(=S)NCc2cccs2)c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M20 compound treatment 0.013 0.142 0.2 -0.236 -0.165 -0.32 0.246 0.296061435973353 0.570222373072066 0.2585 0.3764 3065001 Maybridge4_003452 C1Sc2ccccc2C3=Nc4ccccc4SC(C13)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M21 compound treatment -0.062 0.0674 0.1 -0.164 -0.0926 -0.18 0.124 0.174061435973353 0.335247056931759 0.1434 0.3642 3065002 Maybridge4_003453 CN(C)/C=C/C(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M22 compound treatment -0.916 -0.787 -1.12 -0.421 -0.35 -0.69 -0.667 -0.616938564026647 -1.18824044361729 -1.7302 -0.9766 3065003 Maybridge4_003454 NC(=O)c1cc(Cl)ccc1I 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M23 mock treatment -2.186 -2.06 -2.92 0.242 0.313 0.62 0.304 0.354061435973353 0.681931949597786 -0.9372 -0.3057 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 M24 mock treatment -1.071 -0.942 -1.34 0.552 0.623 1.23 0.162 0.212061435973353 0.40843608982792 0.1736 0.0931 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N01 compound treatment -1.203 -1.07 -1.53 -0.288 -0.217 -0.43 -0.014 0.036061435973353 0.069455305887804 -1.0881 -0.6857 1588083 Maybridge4_003455 CC(=O)Oc1ccc(cc1)c2coc3cc(OC(=O)C)cc(OC(=O)C)c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N02 compound treatment -2.09 -1.96 -2.79 -0.887 -0.816 -1.61 -0.384 -0.333938564026647 -0.643174751259031 -2.9104 -0.8866 1124592 Maybridge4_003456 CC1CC2(CCCCC2)N(Cc3ccccc13)S(=O)(=O)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N03 compound treatment -0.037 0.0924 0.13 -0.641 -0.57 -1.12 -0.101 -0.050938564026647 -0.0981090589007761 -0.6301 -0.5544 3065004 Maybridge4_003457 CNC(=S)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N04 compound treatment -0.113 0.0164 0.02 -0.15 -0.0786 -0.16 -0.068 -0.017938564026647 -0.0345501619120044 -0.096 -0.5979 1007974 Maybridge4_003458 O=C(Nc1ccccc1)OC2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N05 compound treatment -1.233 -1.1 -1.57 -0.4 -0.329 -0.65 -0.116 -0.065938564026647 -0.126999466622945 -1.3538 -0.7951 3178779 Maybridge4_003459 CC(CNc1ccccc1)/C(=N/c2ccccc2)/Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N06 compound treatment -0.23 -0.101 -0.14 -0.058 0.0134 0.03 0.015 0.065061435973353 0.125310094150664 0.0051 0.0265 1711036 Maybridge4_003460 CC1(C)c2ccccc2N3CC(=O)N(CC=C)C31C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N07 compound treatment -0.759 -0.63 -0.9 -0.511 -0.44 -0.87 0.056 0.106061435973353 0.204277208591259 -0.9 -0.7123 854262 Maybridge4_003461 CC(N)(Cc1cccc(O)c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N08 compound treatment 0.943 1.07 1.52 1.057 1.13 2.17 0.286 0.336061435973353 0.647263460331183 2.5062 0.9183 1129507 Maybridge4_003462 CC(N(C(=O)c1sc2ccccc2c1Cl)c3ccccn3)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N09 compound treatment -1.217 -1.09 -1.55 -1.016 -0.945 -1.87 -0.073 -0.022938564026647 -0.044180297819394 -1.9951 -0.8233 1387784 Maybridge4_003463 COc1ccc(Sc2ccccc2COC(=O)C)c(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N10 compound treatment -0.991 -0.862 -1.22 -0.763 -0.692 -1.37 -0.333 -0.282938564026647 -0.544947365003656 -1.8102 -0.946 1366361 Maybridge4_003464 NNC(=O)Cn1nnc(n1)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N11 compound treatment 0.189 0.318 0.45 -0.557 -0.486 -0.96 -0.639 -0.588938564026647 -1.1343116825359 -0.9471 -0.61 3178780 Maybridge4_003465 CC1(C)NCS[C@H]1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N12 compound treatment -0.333 -0.204 -0.29 -0.541 -0.47 -0.93 -0.606 -0.555938564026647 -1.07075278554713 -1.3206 -0.9135 2078075 Maybridge4_003466 CC[n+]1c(C)csc1Nc2ccc(cc2)N3CC(C)OC(C)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N13 compound treatment -0.828 -0.699 -0.99 -0.281 -0.21 -0.41 0.045 0.095061435973353 0.183090909595002 -0.7066 -0.6474 3178781 Maybridge4_003467 CCOC(NC(=O)Nc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N14 compound treatment -0.432 -0.303 -0.43 0.232 0.303 0.6 0.2 0.250061435973353 0.481625122724081 0.3756 0.4264 3065007 Maybridge4_003468 FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N15 compound treatment 0.61 0.739 1.05 -0.222 -0.151 -0.3 0.408 0.458061435973353 0.882238776471491 0.9447 0.6727 1675436 Maybridge4_003469 CCOC(=O)c1c(C)n(O)c2ccc3nonc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N16 compound treatment -0.063 0.0664 0.09 0.016 0.0874 0.17 0.145 0.195061435973353 0.375693627742795 0.3711 0.875 1084802 Maybridge4_003470 CC(C)CCc1c(C)nc(N)nc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N17 compound treatment -0.59 -0.461 -0.65 0.206 0.277 0.55 0.247 0.297061435973353 0.572148400253544 0.2685 0.2613 1383041 Maybridge4_003471 Clc1ccc(C(=O)N2CCC(CC2)NC(=O)c3ccccc3)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N18 compound treatment -0.4 -0.271 -0.38 -0.036 0.0354 0.07 -0.167 -0.116938564026647 -0.22522685287832 -0.3118 -0.6909 3065008 Maybridge4_003472 CS/C(=N/C(C)(C)C)/Nc1ccccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N19 compound treatment -0.714 -0.585 -0.83 -0.043 0.0284 0.06 0.427 0.477061435973353 0.918833292919572 0.083 0.067 1673966 Maybridge4_003473 Cc1c(NC(=O)C(C)(C)C)c(=O)n(c2ccccc2)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N20 compound treatment 0.493 0.622 0.88 0.298 0.369 0.73 0.296 0.346061435973353 0.666523732145963 1.3169 0.9928 1479223 Maybridge4_003474 Cc1cc(Nc2ccc(F)c(Cl)c2)nc(NC(=O)C(C)(C)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N21 compound treatment -1.272 -1.14 -1.62 -1.186 -1.11 -2.2 -0.875 -0.824938564026647 -1.5888540973647 -3.1258 -0.9881 1920716 Maybridge4_003475 CC(C)COc1ccc(cc1)/C(=N\O)/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N22 compound treatment -1.115 -0.986 -1.4 -1.047 -0.976 -1.93 -0.696 -0.645938564026647 -1.24409523188015 -2.6394 -0.9822 3178782 Maybridge4_003476 CC(=C)CC1C(=NN(C1=O)S(=O)(=O)c2ccccc2Cl)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N23 mock treatment 0.09 0.219 0.31 0.159 0.23 0.46 0.041 0.091061435973353 0.17538680086909 0.5441 0.9399 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 N24 mock treatment 0.108 0.237 0.34 0.067 0.138 0.27 0.042 0.092061435973353 0.177312828050568 0.4551 0.97 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O01 compound treatment -1.145 -1.02 -1.44 -1.771 -1.7 -3.36 -0.933 -0.882938564026647 -1.70056367389042 -3.753 -0.9313 3178783 Maybridge4_003477 CSC1=N/C(=C\c2ccc(Cl)cc2)/C(=O)N1CCOc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O02 compound treatment -1.477 -1.35 -1.92 -1.134 -1.06 -2.1 -0.987 -0.936938564026647 -1.80456914169022 -3.3594 -0.9981 3065009 Maybridge4_003478 Cc1ccc(OCc2nnc(S)n2C3CCCCC3)c4CCCc41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O03 compound treatment -0.747 -0.618 -0.88 -2.031 -1.96 -3.87 -0.507 -0.456938564026647 -0.880076094580816 -3.2489 -0.7994 1042314 Maybridge4_003479 CNC(=O)Nc1cccc2cccnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O04 compound treatment -2.054 -1.92 -2.74 -1.138 -1.07 -2.11 -1.117 -1.06693856402665 -2.05495267528236 -3.9821 -0.991 1378461 Maybridge4_003480 S=C(NC1CCCCC1)Nc2ccc3[nH]ccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O05 compound treatment -0.078 0.0514 0.07 0.262 0.333 0.66 0.59 0.640061435973353 1.23277572350047 1.1341 0.8103 3178784 Maybridge4_003481 FC(F)(F)c1ccncc1C(=O)NCc2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O06 compound treatment -0.524 -0.395 -0.56 -0.576 -0.505 -1.0 -0.246 -0.195938564026647 -0.377383000215076 -1.117 -0.9277 3065010 Maybridge4_003482 CC(C)(C)C(=S)Nc1cccc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O07 compound treatment -0.463 -0.334 -0.47 0.216 0.287 0.57 0.0 0.050061435973353 0.096419686428495 0.1095 0.1468 3178785 Maybridge4_003483 COc1cccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O08 compound treatment -1.254 -1.12 -1.6 -1.167 -1.1 -2.16 -0.714 -0.663938564026647 -1.27876372114675 -2.9104 -0.9771 1115300 Maybridge4_003484 NNC(=O)COc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O09 compound treatment -0.583 -0.454 -0.64 -1.671 -1.6 -3.16 -0.648 -0.597938564026647 -1.1516459271692 -2.8607 -0.8357 3178786 Maybridge4_003485 NC(=O)C1=CN(CCC1C(F)(F)F)C(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O10 compound treatment -0.293 -0.164 -0.23 -0.264 -0.193 -0.38 -0.437 -0.386938564026647 -0.745254191877361 -0.7841 -0.9029 1008942 Maybridge4_003486 Cc1cccc(NC(=O)Nc2cccc(C)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O11 compound treatment -0.638 -0.509 -0.72 -0.268 -0.197 -0.39 -0.436 -0.385938564026647 -0.743328164695883 -1.0707 -0.967 3178787 Maybridge4_003487 FC(F)(F)COc1ncccc1C(=O)NCc2ccc(Cl)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O12 compound treatment 0.197 0.326 0.46 -0.5 -0.429 -0.85 -0.609 -0.558938564026647 -1.07653086709157 -0.8422 -0.5825 1449652 Maybridge4_003488 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(CNC(=O)c4ccccc4)s3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O13 compound treatment -0.057 0.0724 0.1 0.149 0.22 0.44 -0.077 -0.026938564026647 -0.0518844065453057 0.2808 0.6236 3178788 Maybridge4_003489 COC(=O)c1cc2cc(Br)ccc2c(Br)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O14 compound treatment 0.516 0.645 0.92 0.446 0.517 1.02 0.563 0.613061435973353 1.18077298960057 1.8014 0.9946 1523809 Maybridge4_003490 CCOC(=O)COc1nc(C)c(CC=C)c(C)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O15 compound treatment -0.329 -0.2 -0.28 0.385 0.456 0.9 0.357 0.407061435973353 0.784011390216117 0.8091 0.659 1444175 Maybridge4_003491 CCOC(=O)c1cnn2c1nc(N3CC(C)CC(C)C3)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O16 compound treatment -0.536 -0.407 -0.58 -0.286 -0.215 -0.42 -0.517 -0.466938564026647 -0.899336366395596 -1.0976 -0.9544 3065040 Maybridge4_003492 O=C1/C(=C/c2ccc3ccccc3c2)/COc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O17 compound treatment -0.615 -0.486 -0.69 -0.2 -0.129 -0.25 -0.016 0.034061435973353 0.0656032515248481 -0.5073 -0.6869 3065041 Maybridge4_003493 Cc1cc(CO)cc(C)c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O18 compound treatment -0.369 -0.24 -0.34 0.069 0.14 0.28 -0.108 -0.057938564026647 -0.111591249171122 -0.101 -0.2229 1280927 Maybridge4_003494 O=c1n(c2ccccc2)c(=O)n3C4CC(C=C4)n31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O19 compound treatment 0.485 0.614 0.87 -0.2 -0.129 -0.25 -0.125 -0.074938564026647 -0.144333711256246 0.2745 0.298 3065042 Maybridge4_003495 CC1=C(Sc2ccccc2N1)C(=O)Nn3cnc4cccc(F)c4c3=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O20 compound treatment -0.616 -0.487 -0.69 -0.403 -0.332 -0.65 -0.44 -0.389938564026647 -0.751032273421795 -1.211 -0.9984 3065043 Maybridge4_003496 Cc1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O21 compound treatment -0.5 -0.371 -0.53 -1.015 -0.944 -1.86 -0.37 -0.319938564026647 -0.61621037071834 -1.7356 -0.8542 1222795 Maybridge4_003497 CCOC(=O)c1cnn(C(=O)COc2ccc(cc2C(C)(C)C)C(C)(C)C)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O22 compound treatment -0.958 -0.829 -1.18 -0.877 -0.806 -1.59 -1.311 -1.26093856402665 -2.42860194848907 -3.0006 -0.9577 3065044 Maybridge4_003498 Cc1cc(nc2CC(C)(C)C/C(=N/O)/c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O23 mock treatment 0.279 0.408 0.58 0.321 0.392 0.77 -0.036 0.014061435973353 0.0270827078952895 0.7983 0.8241 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 O24 mock treatment -0.453 -0.324 -0.46 0.222 0.293 0.58 0.134 0.184061435973353 0.354507328746538 0.2736 0.3335 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P01 compound treatment -1.755 -1.63 -2.31 -1.652 -1.58 -3.12 0.028 0.078061435973353 0.150348447509877 -3.0494 -0.7846 1411988 Maybridge4_003499 O=C(CC#N)NC(=O)NC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P02 compound treatment -0.348 -0.219 -0.31 0.056 0.127 0.25 -0.175 -0.124938564026647 -0.240635070330143 -0.1731 -0.3709 1452749 Maybridge4_003500 CC1CC2(CCCCC2)N(Cc3ccccc13)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P03 compound treatment -0.375 -0.246 -0.35 0.028 0.0994 0.2 0.037 0.087061435973353 0.167682692143178 0.0086 0.0197 2102798 Maybridge4_003501 COC(=O)/C=C\1/OC(=CC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P04 compound treatment -0.667 -0.538 -0.76 -0.116 -0.0446 -0.09 -0.393 -0.342938564026647 -0.660508995892332 -0.8734 -0.8614 1582498 Maybridge4_003502 CC(=O)NC(=O)NCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P05 compound treatment -1.367 -1.24 -1.76 -1.062 -0.991 -1.96 -1.067 -1.01693856402665 -1.95865131620846 -3.276 -0.9988 3065047 Maybridge4_003503 CCOC(=O)CC1=NC(=O)CS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P06 compound treatment -0.134 -0.00459 -0.01 0.213 0.284 0.56 0.39 0.440061435973353 0.847570287204888 0.8098 0.7965 1631994 Maybridge4_003504 Cc1ccc2N3CC(=O)N(Cc4ccccc4)C3(C)C(C)(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P07 compound treatment 0.287 0.416 0.59 -0.348 -0.277 -0.55 0.101 0.151061435973353 0.290948431757766 0.1945 0.2271 3065048 Maybridge4_003505 CC(=O)N1CC(O)C[C@H]1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P08 compound treatment -1.0 -0.871 -1.24 -0.472 -0.401 -0.79 -0.429 -0.378938564026647 -0.729845974425538 -1.5927 -0.971 3178789 Maybridge4_003506 CN1N=C(C)C(Cc2c(Cl)cccc2Cl)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P09 compound treatment -0.115 0.0144 0.02 0.012 0.0834 0.16 -0.145 -0.094938564026647 -0.182854254885805 0.0014 0.0056 1247915 Maybridge4_003507 O=C(Oc1ccc(Oc2ccccc2)cc1)N3CCC(CC3)OC(=O)n4ccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P10 compound treatment -1.695 -1.57 -2.23 -1.196 -1.12 -2.22 -1.227 -1.17693856402665 -2.26681566524493 -3.8759 -1.0 3065049 Maybridge4_003508 CN(C)/N=C(\Cn1nnc(n1)N2CCCC2)/c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P11 compound treatment -0.145 -0.0156 -0.02 0.019 0.0904 0.18 0.0 0.050061435973353 0.096419686428495 0.146 0.715 1294581 Maybridge4_003509 OC(=O)c1ccc2cc[nH]c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P12 compound treatment 0.113 0.242 0.34 -0.451 -0.38 -0.75 -0.449 -0.398938564026647 -0.768366518055096 -0.6773 -0.6008 1153919 Maybridge4_003510 CC(C)(C)c1ccc(NC(=S)NCc2cccnc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P13 compound treatment -0.18 -0.0506 -0.07 0.47 0.541 1.07 0.246 0.296061435973353 0.570222373072066 0.9049 0.7455 3178790 Maybridge4_003511 CN(C)C(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P14 compound treatment -0.596 -0.467 -0.66 -0.271 -0.2 -0.39 -0.136 -0.085938564026647 -0.165520010252504 -0.7061 -0.8947 1634696 Maybridge4_003512 OCN1N=C(CCC1=O)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P15 compound treatment -0.408 -0.279 -0.4 -0.028 0.0434 0.09 0.127 0.177061435973353 0.341025138476192 0.0177 0.0335 1538301 Maybridge4_003513 OC(=O)CCn1nc(Nc2ccccc2)n(c3ccccc3)c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P16 compound treatment -0.686 -0.557 -0.79 -0.074 -0.00256 -0.01 -0.069 -0.018938564026647 -0.0364761890934823 -0.4809 -0.607 3065050 Maybridge4_003514 COCc1nc(S)nc(O)c1Cc2c(F)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P17 compound treatment -0.727 -0.598 -0.85 0.179 0.25 0.49 -0.098 -0.047938564026647 -0.0923309773563423 -0.2584 -0.2617 1358448 Maybridge4_003515 COc1ccccc1C2CCN(CC2)C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P18 compound treatment -0.058 0.0714 0.1 0.713 0.784 1.55 0.303 0.353061435973353 0.680005922416308 1.3455 0.794 3065051 Maybridge4_003516 CC(C)(C)NC(=S)NCC1CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P19 compound treatment -0.099 0.0304 0.04 -0.272 -0.201 -0.4 -0.389 -0.338938564026647 -0.65280488716642 -0.5806 -0.7592 1357507 Maybridge4_003517 Clc1ccc(Nc2ccc(nn2)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P20 compound treatment -0.141 -0.0116 -0.02 0.108 0.179 0.35 0.222 0.272061435973353 0.523997720716596 0.4976 0.7864 1680143 Maybridge4_003518 Cc1cc(Nc2ccc(F)cc2)nc(SCc3c(Cl)cccc3Cl)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P21 compound treatment 0.255 0.384 0.55 -0.187 -0.116 -0.23 0.014 0.064061435973353 0.123384066969186 0.255 0.4216 1714479 Maybridge4_003519 CCOC(=O)N1CCN(CC(O)Cn2c(=O)n(C)c3ncn(C)c3c2=O)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P22 compound treatment -0.155 -0.0256 -0.04 -0.619 -0.548 -1.08 -0.556 -0.505938564026647 -0.974451426473235 -1.2078 -0.8296 3178866 Maybridge4_003520 CCCC1=NN(C(=O)C1CC=C)S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P23 mock treatment -0.449 -0.32 -0.45 0.06 0.131 0.26 0.13 0.180061435973353 0.346803220020626 0.0877 0.1397 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2058 P24 mock treatment -0.591 -0.462 -0.66 -0.056 0.0154 0.03 0.16 0.210061435973353 0.404584035464964 -0.1277 -0.1655 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A01 compound treatment -0.105 0.0244 0.03 0.423 0.494 0.98 0.132 0.182061435973353 0.350655274383582 0.7861 0.7574 3179399 Maybridge4_003873 Cn1nc(cc1C(=O)NC2CCCCNC2=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A02 compound treatment -1.592 -1.46 -2.08 -0.607 -0.536 -1.06 -0.102 -0.051938564026647 -0.100035086082254 -1.8689 -0.8004 1395167 Maybridge4_003874 CCCC1N(CCc2sccc12)C(=S)Nc3ccc(Cl)cc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A03 compound treatment -1.567 -1.44 -2.04 -0.612 -0.541 -1.07 -0.322 -0.271938564026647 -0.523761066007399 -2.0987 -0.8876 3179400 Maybridge4_003875 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc4OCCCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A04 compound treatment -0.387 -0.258 -0.37 0.444 0.515 1.02 -0.547 -0.496938564026647 -0.957117181839934 -0.1764 -0.1222 1342707 Maybridge4_003876 CC(C)(C)C1=NN(C(=O)C1)c2nc3ccc(Cl)cc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A05 compound treatment 0.278 0.407 0.58 0.529 0.6 1.19 0.225 0.275061435973353 0.52977580226103 1.3248 0.9317 3179401 Maybridge4_003877 O=C(NCc1csc(n1)c2cccs2)c3ccno3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A06 compound treatment -0.492 -0.363 -0.52 0.208 0.279 0.55 0.663 0.713061435973353 1.37337570774836 0.8138 0.5193 1644100 Maybridge4_003878 COc1ccc(OC(=O)c2cnc3SCCn3c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A07 compound treatment -0.281 -0.152 -0.22 0.02 0.0914 0.18 0.126 0.176061435973353 0.339099111294714 0.1756 0.3986 3179402 Maybridge4_003879 O=C(NC1CCCCNC1=O)c2ccc(nc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A08 compound treatment 0.443 0.572 0.81 -0.161 -0.0896 -0.18 -0.32 -0.269938564026647 -0.519909011644443 0.0676 0.0689 3179403 Maybridge4_003880 CC(C)(C)S(=O)(=O)/C(=C/c1sccc1C2OCCO2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A09 compound treatment 0.067 0.196 0.28 -0.093 -0.0216 -0.04 -0.165 -0.114938564026647 -0.221374798515364 0.0088 0.0246 3064691 Maybridge4_003881 O=S(=O)(NCc1ccc(cc1)c2cccs2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A10 compound treatment -2.384 -2.25 -3.21 -1.833 -1.76 -3.48 -2.494 -2.44393856402665 -4.70709210417747 -6.5765 -0.9855 3179404 Maybridge4_003882 Clc1ccc(cc1)C(=O)n2cc3CSc4ccc(Cl)cc4-c3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A11 compound treatment 0.338 0.467 0.66 0.054 0.125 0.25 0.25 0.300061435973353 0.577926481797978 0.8603 0.9404 3064692 Maybridge4_003883 Cc1nn(nc1CNC(=O)CC(C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A12 compound treatment 0.385 0.514 0.73 -0.017 0.0544 0.11 0.057 0.107061435973353 0.206203235772737 0.6034 0.7862 3179405 Maybridge4_003884 CCOC(=O)Cn1c2CCCC(=O)c2c(cc1=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A13 compound treatment -0.544 -0.415 -0.59 0.074 0.145 0.29 -0.031 0.019061435973353 0.0367128438026791 -0.1533 -0.2335 3064694 Maybridge4_003885 Cc1noc(C)c1NC(=O)NC2CCCCNC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A14 compound treatment -0.956 -0.827 -1.18 -0.732 -0.661 -1.3 0.075 0.125061435973353 0.24087172503934 -1.2925 -0.7293 3179406 Maybridge4_003886 CN(C)/C(=N/C(=S)c1ccc(Cl)cc1)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A15 compound treatment -0.232 -0.103 -0.15 0.079 0.15 0.3 0.093 0.143061435973353 0.275540214305943 0.2464 0.5721 3064695 Maybridge4_003887 Cc1cc(SCc2ncon2)c(Cl)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A16 compound treatment -0.338 -0.209 -0.3 0.212 0.283 0.56 0.092 0.142061435973353 0.273614187124465 0.3099 0.4491 3179407 Maybridge4_003888 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)/N=C/N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A17 compound treatment -0.081 0.0484 0.07 0.288 0.359 0.71 0.284 0.334061435973353 0.643411405968228 0.821 0.8548 3064696 Maybridge4_003889 CSc1nc(/N=C/N(C)C)n(n1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A18 compound treatment -0.197 -0.0676 -0.1 0.021 0.0924 0.18 -0.047 0.003061435973353 0.00589640889903222 0.0533 0.2583 3179408 Maybridge4_003890 Cc1c2C(=O)/C(=C/c3ccccc3)/Cn2c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A19 compound treatment -1.467 -1.34 -1.9 -0.467 -0.396 -0.78 -0.216 -0.165938564026647 -0.319602184770738 -1.7334 -0.8331 3179409 Maybridge4_003891 FC(F)(F)c1ccccc1NC(=S)Nc2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A20 compound treatment 0.273 0.402 0.57 0.061 0.132 0.26 0.279 0.329061435973353 0.633781270060838 0.8472 0.9488 3064697 Maybridge4_003892 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A21 compound treatment 0.128 0.257 0.37 0.0 0.0714 0.14 -0.148 -0.097938564026647 -0.188632336430239 0.1838 0.4224 1223239 Maybridge4_003893 Clc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A22 compound treatment -0.282 -0.153 -0.22 -0.036 0.0354 0.07 -0.103 -0.052938564026647 -0.101961113263732 -0.1437 -0.5755 1594618 Maybridge4_003894 Cc1oc2c(F)c(F)c(F)c(F)c2c1c3noc(n3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A23 mock treatment 0.089 0.218 0.31 0.089 0.16 0.32 0.09 0.140061435973353 0.269762132761509 0.5179 0.9976 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 A24 mock treatment 0.075 0.204 0.29 0.203 0.274 0.54 0.129 0.179061435973353 0.344877192839148 0.6798 0.9642 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B01 compound treatment -1.935 -1.81 -2.57 -0.085 -0.0136 -0.03 -0.211 -0.160938564026647 -0.309972048863349 -1.6766 -0.6483 3179410 Maybridge4_003895 O=C(/C=C/c1ccc(s1)c2cccs2)N3CCSCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B02 compound treatment -1.674 -1.54 -2.2 -0.772 -0.701 -1.38 -1.145 -1.09493856402665 -2.10888143636374 -3.2841 -0.982 3064698 Maybridge4_003896 FC(F)(F)c1oc(cc1C(=O)NCc2ccco2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B03 compound treatment -0.808 -0.679 -0.96 -0.249 -0.178 -0.35 0.403 0.453061435973353 0.872608640564102 -0.2556 -0.1897 1349711 Maybridge4_003897 CSc1c([nH]c2ccccc12)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B04 compound treatment -0.379 -0.25 -0.35 -0.526 -0.455 -0.9 0.103 0.153061435973353 0.294800486120722 -0.5529 -0.5479 3179411 Maybridge4_003898 Cc1nc(sc1c2ccnn2C(=O)C(C)(C)C)c3ccc(s3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B05 compound treatment -1.308 -1.18 -1.68 -0.233 -0.162 -0.32 -0.177 -0.126938564026647 -0.244487124693099 -1.2928 -0.7502 3064699 Maybridge4_003899 CCOC(=O)c1c(CS(=O)c2ccc(Cl)cc2)oc3c(F)c(F)c(F)c(F)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B06 compound treatment -0.696 -0.567 -0.81 -0.673 -0.602 -1.19 -0.562 -0.511938564026647 -0.986007589562103 -1.7201 -0.9879 3179412 Maybridge4_003900 C/C(=N\O)/C(=O)c1ccc(cc1)c2ccccc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B07 compound treatment 0.95 1.08 1.53 1.34 1.41 2.4 0.702 0.752061435973353 1.448490767826 3.1068 0.9726 3179413 Maybridge4_003901 CC1(C)COC(=N1)c2sccc2C(=O)N(C3CCCCC3)C(=O)NC4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B08 compound treatment -1.125 -0.996 -1.42 -1.704 -1.63 -3.22 -0.882 -0.831938564026647 -1.60233628763504 -3.6035 -0.9316 3064701 Maybridge4_003902 Nc1ccccc1SCc2cccc(Cl)c2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B09 compound treatment -0.618 -0.489 -0.69 -0.493 -0.422 -0.83 -0.163 -0.112938564026647 -0.217522744152408 -1.0072 -0.9109 1459519 Maybridge4_003903 NC(=S)c1cnc(nc1N)c2ccncc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B10 compound treatment 0.133 0.262 0.37 0.394 0.465 0.92 0.385 0.435061435973353 0.837940151297499 1.2298 0.9471 1481845 Maybridge4_003904 CCCNC(=S)N1CCC(CC1)C(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B11 compound treatment 0.088 0.217 0.31 0.063 0.134 0.27 0.068 0.118061435973353 0.227389534768994 0.463 0.9923 3064731 Maybridge4_003905 NC(=S)c1ncc(cc1N2CCCC2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B12 compound treatment 0.03 0.159 0.23 -0.452 -0.381 -0.75 -0.534 -0.483938564026647 -0.932078828480721 -0.8411 -0.6903 3064732 Maybridge4_003906 Cc1noc(C)c1c2nc(no2)c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B13 compound treatment -1.311 -1.18 -1.68 -0.759 -0.688 -1.36 -0.333 -0.282938564026647 -0.544947365003656 -2.0684 -0.9285 3064733 Maybridge4_003907 COc1cc(NC(=O)C(C)(C)C)ccc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B14 compound treatment -0.483 -0.354 -0.5 0.075 0.146 0.29 0.252 0.302061435973353 0.581778536160934 0.2126 0.2588 3064734 Maybridge4_003908 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)c4ccco4)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B15 compound treatment -0.787 -0.658 -0.93 -0.136 -0.0646 -0.13 0.0 0.050061435973353 0.096419686428495 -0.5577 -0.588 3064735 Maybridge4_003909 CN(N1C(=O)c2ccccc2C1=O)c3cc(ccn3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B16 compound treatment -0.636 -0.507 -0.72 0.033 0.104 0.21 -0.076 -0.025938564026647 -0.0499583793638278 -0.3256 -0.4337 1391890 Maybridge4_003910 CC(C)(C)c1cc(n(n1)c2ccc(NC(=O)COCC(=O)O)cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B17 compound treatment 0.114 0.243 0.35 0.133 0.204 0.4 -0.012 0.038061435973353 0.0733073602507598 0.4752 0.8853 3179414 Maybridge4_003911 Cc1cc(C)n(n1)c2ccc(cc2)n3cccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B18 compound treatment 0.167 0.296 0.42 0.2 0.271 0.54 -0.159 -0.108938564026647 -0.209818635426496 0.4316 0.605 1368065 Maybridge4_003912 CC(C)Cc1ccc(cc1)C(C)c2nc(no2)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B19 compound treatment -0.267 -0.138 -0.2 -0.18 -0.109 -0.21 -0.35 -0.299938564026647 -0.577689827088781 -0.5702 -0.882 1510531 Maybridge4_003913 COc1cc(cc(OC)c1OC)C(=O)NCC(c2c[nH]c3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B20 compound treatment -0.056 0.0734 0.1 0.431 0.502 0.99 0.12 0.170061435973353 0.327542948205847 0.8221 0.783 1512133 Maybridge4_003914 COc1ccc(cc1)C2N(CCc3sccc23)C(=O)NC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B21 compound treatment 0.08 0.209 0.3 -0.22 -0.149 -0.29 0.381 0.431061435973353 0.830236042571587 0.4819 0.5184 3064736 Maybridge4_003915 Cc1snnc1C(=O)Oc2ccccc2c3nnco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B22 compound treatment -1.103 -0.974 -1.38 -3.457 -3.39 -6.68 -1.185 -1.13493856402665 -2.18592252362285 -5.9207 -0.826 3179415 Maybridge4_003916 CC(C)(C)c1cc(n(n1)c2ccc(/N=C\c3ccccc3O)cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B23 mock treatment 0.204 0.333 0.47 -0.015 0.0564 0.11 0.089 0.139061435973353 0.267836105580031 0.4927 0.8865 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 B24 mock treatment 0.059 0.188 0.27 0.079 0.15 0.3 0.125 0.175061435973353 0.337173084113236 0.5208 0.9956 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C01 compound treatment -0.588 -0.459 -0.65 -0.048 0.0234 0.05 0.031 0.081061435973353 0.156126529054311 -0.2596 -0.3863 3064737 Maybridge4_003917 Clc1ccc(Oc2ncccc2C(=O)NC3CCCCNC3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C02 compound treatment -0.328 -0.199 -0.28 -1.031 -0.96 -1.89 -0.42 -0.369938564026647 -0.712511729792236 -1.6683 -0.8163 1245123 Maybridge4_003918 O=C(NCc1ccco1)NC(=O)c2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C03 compound treatment -0.659 -0.53 -0.75 -0.492 -0.421 -0.83 -0.206 -0.155938564026647 -0.300341912955959 -1.0876 -0.9372 3064739 Maybridge4_003919 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3c(C)nn(C)c3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C04 compound treatment -2.328 -2.2 -3.13 -1.291 -1.22 -2.41 -1.294 -1.24393856402665 -2.39585948640395 -4.5783 -0.9918 3179416 Maybridge4_003920 CC(C)(C)c1csc(Cc2ccc(cc2)c3csnn3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C05 compound treatment 0.211 0.34 0.48 0.492 0.563 1.11 -0.048 0.002061435973353 0.00397038171755429 0.924 0.7616 3179417 Maybridge4_003921 Cc1oc(cc1C(=O)NCc2csc(n2)c3cccs3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C06 compound treatment -0.915 -0.786 -1.12 -1.102 -1.03 -2.03 -0.166 -0.115938564026647 -0.223300825696842 -1.9486 -0.8356 1605864 Maybridge4_003922 OC(=O)CCCc1nc(no1)c2cnc3SCCn3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C07 compound treatment 0.015 0.144 0.21 -0.151 -0.0796 -0.16 0.046 0.096061435973353 0.18501693677648 0.1347 0.4236 3179418 Maybridge4_003923 O=C(NCC1CN(Cc2ccccc2)CCO1)c3ccc(nc3)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C08 compound treatment -0.62 -0.491 -0.7 -0.506 -0.435 -0.86 0.034 0.084061435973353 0.161904610598745 -0.8046 -0.72 3064740 Maybridge4_003924 COC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C09 compound treatment -0.711 -0.582 -0.83 -0.97 -0.899 -1.77 -0.512 -0.461938564026647 -0.889706230488206 -2.0154 -0.9373 3179419 Maybridge4_003925 O=C(NCc1ccc(cc1)c2cccs2)C3=Cc4ccccc4OC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C10 compound treatment -0.277 -0.148 -0.21 -0.103 -0.0316 -0.06 -0.607 -0.556938564026647 -1.07267881272861 -0.7764 -0.7092 3064741 Maybridge4_003926 CC(C)(C)C(=O)n1cc2CSc3ccc(Cl)cc3-c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C11 compound treatment -0.478 -0.349 -0.5 -1.365 -1.29 -2.55 -1.771 -1.72093856402665 -3.31457445196892 -3.6745 -0.872 3179420 Maybridge4_003927 COCC(=O)NCc1nn(nc1C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C12 compound treatment -0.012 0.117 0.17 -0.113 -0.0416 -0.08 -0.044 0.006061435973353 0.011674490443466 0.0557 0.2991 3064742 Maybridge4_003928 COC(=O)c1sccc1c2ccc(o2)c3ccn(n3)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C13 compound treatment 0.148 0.277 0.39 0.274 0.345 0.68 0.262 0.312061435973353 0.601038807975713 0.9685 0.9773 3179421 Maybridge4_003929 Cc1cc(CNC(=O)Nc2c(C)noc2C)c(o1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C14 compound treatment 0.509 0.638 0.91 -0.427 -0.356 -0.7 -0.167 -0.116938564026647 -0.22522685287832 -0.0113 -0.0097 3064743 Maybridge4_003930 Clc1ccc(NC(=O)/C(=C\c2cccs2)/c3ccsc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C15 compound treatment 0.431 0.56 0.8 0.419 0.49 0.97 0.22 0.270061435973353 0.52014566635364 1.3194 0.9719 3179422 Maybridge4_003931 CN(C)C(=O)Oc1cccc(N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C16 compound treatment -0.586 -0.457 -0.65 -0.293 -0.222 -0.44 -0.333 -0.282938564026647 -0.544947365003656 -0.942 -0.9876 3179423 Maybridge4_003932 FC(F)(F)Oc1ccccc1/C=N/c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C17 compound treatment -0.714 -0.585 -0.83 -0.164 -0.0926 -0.18 -0.39 -0.339938564026647 -0.654730914347898 -0.9634 -0.8972 1299325 Maybridge4_003933 CC(C)N(C(C)C)C(=O)NC(=O)c1csnn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C18 compound treatment -0.29 -0.161 -0.23 -0.263 -0.192 -0.38 -0.157 -0.106938564026647 -0.20596658106354 -0.4691 -0.9624 3179518 Maybridge4_003934 FC(F)(F)C1NCCc2c1[nH]c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C19 compound treatment -0.859 -0.73 -1.04 -0.667 -0.596 -1.18 -0.431 -0.380938564026647 -0.733698028788494 -1.7014 -0.9828 1154654 Maybridge4_003935 Cc1noc(C)c1c2nc(CSc3ccccc3)no2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C20 compound treatment -0.343 -0.214 -0.3 -0.623 -0.552 -1.09 0.04 0.090061435973353 0.173460773687612 -0.704 -0.6154 3179519 Maybridge4_003936 O=C(NCc1ccc(s1)c2cccs2)NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C21 compound treatment 0.081 0.21 0.3 0.434 0.505 1.0 0.753 0.803061435973353 1.54671815408138 1.6419 0.8804 1179307 Maybridge4_003937 CC(C)NC(=O)N1CCc2sccc2C1c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C22 compound treatment -0.209 -0.0796 -0.11 -1.8 -1.73 -3.41 -1.674 -1.62393856402665 -3.12774981536556 -3.8417 -0.8296 3064744 Maybridge4_003938 CC(C)(C)c1nc(no1)c2ccc(s2)c3ccon3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C23 mock treatment 0.154 0.283 0.4 0.306 0.377 0.75 0.103 0.153061435973353 0.294800486120722 0.8331 0.9287 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 C24 mock treatment 0.382 0.511 0.73 0.014 0.0854 0.17 -0.13 -0.079938564026647 -0.153963847163636 0.4283 0.562 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D01 compound treatment -2.18 -2.05 -2.92 -0.946 -0.875 -1.73 -0.289 -0.238938564026647 -0.460202169018627 -2.9459 -0.8615 3179520 Maybridge4_003939 CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(s2)c3cccs3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D02 compound treatment -0.932 -0.803 -1.14 0.015 0.0864 0.17 0.082 0.132061435973353 0.254353915309685 -0.4134 -0.3499 3064745 Maybridge4_003940 COc1cccc(/C=N/c2c(c(nn2C)C(F)(F)F)c3ccccc3)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D03 compound treatment -0.354 -0.225 -0.32 -0.13 -0.0586 -0.12 -0.123 -0.072938564026647 -0.140481656893291 -0.3322 -0.904 1138512 Maybridge4_003941 COc1ccc(cc1)S(=O)(=O)CC(C)(O)CS(=O)(=O)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D04 compound treatment -1.354 -1.22 -1.74 -0.102 -0.0306 -0.06 -0.687 -0.636938564026647 -1.22676098724684 -1.7483 -0.8205 3064746 Maybridge4_003942 FC(F)(F)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D05 compound treatment -0.875 -0.746 -1.06 -0.4 -0.329 -0.65 -0.453 -0.402938564026647 -0.776070626781008 -1.4347 -0.9791 3179521 Maybridge4_003943 Cc1noc(C)c1c2nc(COc3ccc(/C=C(/C#N)\S(=O)(=O)C)cc3)no2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D06 compound treatment 0.426 0.555 0.79 -0.529 -0.458 -0.9 -0.36 -0.309938564026647 -0.59695009890356 -0.4103 -0.3062 3064747 Maybridge4_003944 CCc1sc(nc1C(=O)OC)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D07 compound treatment -0.014 0.115 0.16 0.209 0.28 0.55 0.919 0.969061435973353 1.86643866620671 1.492 0.7637 3064748 Maybridge4_003945 Cc1ccsc1C(=S)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D08 compound treatment -0.044 0.0854 0.12 -0.016 0.0554 0.11 -0.13 -0.079938564026647 -0.153963847163636 0.0444 0.1978 3179522 Maybridge4_003946 FC(F)(F)c1cc(Oc2ccc(cc2)n3cccc3)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D09 compound treatment 0.368 0.497 0.71 -0.219 -0.148 -0.29 0.042 0.092061435973353 0.177312828050568 0.3425 0.4362 3064749 Maybridge4_003947 CSc1ccc(s1)C(=O)NC(=O)Nc2cc(C)on2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D10 compound treatment -0.843 -0.714 -1.01 -0.333 -0.262 -0.52 -0.69 -0.639938564026647 -1.23253906879128 -1.5955 -0.9509 3179523 Maybridge4_003948 CS/C(=N\C#N)/N1CCC(CC1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D11 compound treatment 0.952 1.08 1.54 -0.177 -0.106 -0.21 -0.014 0.036061435973353 0.069455305887804 0.8075 0.5199 1573241 Maybridge4_003949 Cc1noc(C)c1C(=O)Oc2ccc(cc2)c3nn[nH]c3C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D12 compound treatment 0.15 0.279 0.4 -0.039 0.0324 0.06 0.238 0.288061435973353 0.554814155620243 0.5867 0.856 3064792 Maybridge4_003950 CC(C)(C)NC(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D13 compound treatment -0.5 -0.371 -0.53 0.106 0.177 0.35 0.108 0.158061435973353 0.304430622028112 0.0738 0.1052 3064793 Maybridge4_003951 CCOC(=O)c1cc(CSc2ccc(Cl)cc2)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D14 compound treatment -1.045 -0.916 -1.3 -0.449 -0.378 -0.75 -0.298 -0.247938564026647 -0.477536413651929 -1.4577 -0.9259 3064794 Maybridge4_003952 COc1ccccc1N2CCN(CC2)C(=S)c3ccccc3OC(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D15 compound treatment -0.875 -0.746 -1.06 -0.734 -0.663 -1.31 -0.036 0.014061435973353 0.0270827078952895 -1.3517 -0.8027 3064795 Maybridge4_003953 CN(N1C(=O)CSCC1=O)c2cc(ccn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D16 compound treatment -2.096 -1.97 -2.8 -1.738 -1.67 -3.29 -0.667 -0.616938564026647 -1.18824044361729 -4.2002 -0.9378 3064796 Maybridge4_003954 N/C(=N\O)/c1ccc(nc1)N2CCN(CC2)c3ncccc3C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D17 compound treatment -0.42 -0.291 -0.41 -0.5 -0.429 -0.85 0.016 0.066061435973353 0.127236121332142 -0.6536 -0.6879 3064797 Maybridge4_003955 Cc1nn(c(C)c1C(=O)Oc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D18 compound treatment -0.274 -0.145 -0.21 -0.381 -0.31 -0.61 -0.275 -0.224938564026647 -0.433237788477936 -0.7217 -0.929 3064798 Maybridge4_003956 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Oc2cccc3cccnc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D19 compound treatment 0.0 0.129 0.18 -0.267 -0.196 -0.39 0.019 0.069061435973353 0.133014202876576 -0.0399 -0.0891 3064800 Maybridge4_003957 FC(F)(F)c1ccc(cc1)C(=O)NCC(c2c[nH]c3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D20 compound treatment -0.333 -0.204 -0.29 -0.119 -0.0476 -0.09 0.372 0.422061435973353 0.812901797938286 0.248 0.2857 3179524 Maybridge4_003958 FC(F)(F)c1cccnc1N2CCN(CC2)c3ccc(NC(=O)Nc4ccc(Cl)cc4)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D21 compound treatment 0.375 0.504 0.72 -0.711 -0.64 -1.26 0.192 0.242061435973353 0.466216905272258 -0.0459 -0.0301 3064801 Maybridge4_003959 CN(C)/C=C(\C#N)/c1nnc(c2ccccn2)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D22 compound treatment -0.755 -0.626 -0.89 -0.128 -0.0566 -0.11 -0.847 -0.796938564026647 -1.53492533628331 -1.4642 -0.8237 3179525 Maybridge4_003960 Fc1ccc(CS(=O)(=O)CCNC(=O)c2c(F)cccc2Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D23 mock treatment 0.57 0.699 0.99 0.086 0.157 0.31 -0.043 0.007061435973353 0.013600517624944 0.7614 0.7308 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 D24 mock treatment -0.123 0.00641 0.01 0.217 0.288 0.57 0.352 0.402061435973353 0.774381254308727 0.7812 0.8126 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E01 compound treatment -0.609 -0.48 -0.68 -0.189 -0.118 -0.23 0.075 0.125061435973353 0.24087172503934 -0.3886 -0.5117 3179526 Maybridge4_003961 O=C(NC1CCCCNC1=O)c2cn(c3ccccc23)S(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E02 compound treatment -1.277 -1.15 -1.63 -0.807 -0.736 -1.45 -0.173 -0.122938564026647 -0.236783015967187 -1.9173 -0.8726 3064802 Maybridge4_003962 FC(F)(F)c1ccc(cc1)C2=NCCc3sccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E03 compound treatment -0.723 -0.594 -0.84 0.481 0.552 1.09 -0.074 -0.023938564026647 -0.0461063250008719 0.1159 0.084 3179527 Maybridge4_003963 COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c3ccc4OC(C)(C)CCc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E04 compound treatment -0.934 -0.805 -1.14 -0.371 -0.3 -0.59 -0.253 -0.202938564026647 -0.390865190485422 -1.2276 -0.9122 3064804 Maybridge4_003964 O=C(Nc1ccccc1)Nc2cccc(c2)c3nnco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E05 compound treatment -1.152 -1.02 -1.45 -2.067 -2.0 -3.94 -1.441 -1.39093856402665 -2.6789854820812 -4.661 -0.9356 3064805 Maybridge4_003965 CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccno2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E06 compound treatment -0.125 0.00441 0.01 0.041 0.112 0.22 0.102 0.152061435973353 0.292874458939244 0.3009 0.8186 1736114 Maybridge4_003966 COc1ccc(cc1)C2N(CCc3sccc23)C(=S)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E07 compound treatment -0.017 0.112 0.16 0.024 0.0954 0.19 0.074 0.124061435973353 0.238945697857862 0.339 0.9863 3179528 Maybridge4_003967 Cc1nn(C)c(C)c1CNC(=O)c2ccc(nc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E08 compound treatment 0.256 0.385 0.55 -0.525 -0.454 -0.9 -0.023 0.027061435973353 0.0521210612545026 -0.1706 -0.1623 3064806 Maybridge4_003968 O=C(NC(=O)c1nnc(o1)c2ccccc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E09 compound treatment 0.057 0.186 0.27 0.036 0.107 0.21 -0.079 -0.028938564026647 -0.0557364609082616 0.2433 0.7073 3179529 Maybridge4_003969 COc1ccc(cc1)n2ncc(C(=O)NCc3ccc(cc3)c4cccs4)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E10 compound treatment -0.259 -0.13 -0.18 -0.094 -0.0226 -0.04 -0.092 -0.041938564026647 -0.0807748142674747 -0.1787 -0.8674 3064807 Maybridge4_003970 CC(C)c1ncc2CSc3ccc(Cl)cc3-c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E11 compound treatment 0.558 0.687 0.98 -2.304 -2.23 -4.41 -1.158 -1.10793856402665 -2.13391978972295 -3.2128 -0.6433 3179530 Maybridge4_003971 COc1ccc(cc1)c2ocnc2C(=O)NCc3nn(nc3C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E12 compound treatment -0.075 0.0544 0.08 0.117 0.188 0.37 0.072 0.122061435973353 0.235093643494906 0.3952 0.8844 3064809 Maybridge4_003972 COC(=O)c1sccc1c2ccc(o2)c3ccn(n3)S(=O)(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E13 compound treatment 0.127 0.256 0.36 0.278 0.349 0.69 0.258 0.308061435973353 0.593334699249801 0.9514 0.9705 3179531 Maybridge4_003973 Cc1c(C)c(C)c2[nH]c(nc2c1C)c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E14 compound treatment -0.569 -0.44 -0.63 -0.237 -0.166 -0.33 -0.269 -0.218938564026647 -0.421681625389069 -0.793 -0.965 3179532 Maybridge4_003974 FC(F)(F)c1cccc(NC(=O)/C(=C\c2cccs2)/c3ccsc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E15 compound treatment -0.881 -0.752 -1.07 -0.448 -0.377 -0.74 -0.529 -0.478938564026647 -0.922448692573331 -1.5788 -0.9895 3064810 Maybridge4_003975 FC(F)(F)c1ccccc1N/C(=N/C#N)/N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E16 compound treatment -0.766 -0.637 -0.91 -0.119 -0.0476 -0.09 0.557 0.607061435973353 1.1692168265117 0.0983 0.0663 3179533 Maybridge4_003976 FC(F)(F)c1cccc(NC(=O)CS(=O)(=O)Nc2cccc(c2)C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E17 compound treatment -0.413 -0.284 -0.4 -0.39 -0.319 -0.63 -0.127 -0.076938564026647 -0.148185765619202 -0.6815 -0.8947 3064811 Maybridge4_003977 Cc1cc(NC(=O)NC(=O)c2csnn2)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E18 compound treatment 0.121 0.25 0.36 0.392 0.463 0.92 0.105 0.155061435973353 0.298652540483678 0.9063 0.8831 3179534 Maybridge4_003978 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E19 compound treatment -0.211 -0.0816 -0.12 0.255 0.326 0.64 -0.049 0.00106143597335299 0.00204435453607635 0.3063 0.4678 3064812 Maybridge4_003979 Cc1noc(C)c1c2nc(CS(=O)(=O)Cc3ccc(Cl)cc3)no2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E20 compound treatment -0.065 0.0644 0.09 -0.073 -0.00156 0.0 -0.019 0.031061435973353 0.0598251699804143 0.0856 0.7825 3064813 Maybridge4_003980 Cc1cc(cc(C)c1I)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E21 compound treatment -0.099 0.0304 0.04 -0.056 0.0154 0.03 0.0 0.050061435973353 0.096419686428495 0.0982 0.8932 1590769 Maybridge4_003981 CNC(=S)N1CCc2sccc2C1c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E22 compound treatment -0.213 -0.0836 -0.12 0.172 0.243 0.48 0.385 0.435061435973353 0.837940151297499 0.6927 0.7117 3064814 Maybridge4_003982 CN(C)/C=N/C(=O)c1ccc(s1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E23 mock treatment -2.89 -2.76 -3.92 -0.088 -0.0166 -0.03 0.195 0.245061435973353 0.471994986816692 -2.0124 -0.509 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 E24 mock treatment 0.03 0.159 0.23 -0.082 -0.0106 -0.02 -0.087 -0.036938564026647 -0.071144678360085 0.0777 0.326 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F01 compound treatment -0.917 -0.788 -1.12 -0.964 -0.893 -1.76 -0.397 -0.346938564026647 -0.668213104618244 -2.0498 -0.935 3179535 Maybridge4_003983 Clc1ccc(OC(=O)/C=C/c2ccc(s2)c3cccs3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F02 compound treatment 2.631 2.76 2.22 4.269 4.34 3.41 4.244 4.29406143597335 3.30451018322791 5.1594 0.9842 3064815 Maybridge4_003984 Cc1ccc(C)n1c2ccc(cc2)n3cccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F03 compound treatment -2.885 -2.76 -3.92 -3.119 -3.05 -6.02 -1.141 -1.09093856402665 -2.10117732763783 -6.9493 -0.9288 1608279 Maybridge4_003985 CC(O)(CNCc1ccc(Cl)cc1)CSc2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F04 compound treatment 0.171 0.3 0.43 -0.127 -0.0556 -0.11 0.213 0.263061435973353 0.506663476083294 0.4758 0.7083 3179536 Maybridge4_003986 COC(=O)c1cc(=O)c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F05 compound treatment -0.369 -0.24 -0.34 -0.014 0.0574 0.11 0.203 0.253061435973353 0.487403204268515 0.1502 0.2481 3064655 Maybridge4_003987 CC1(C)COC(=N1)c2sccc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F06 compound treatment 0.213 0.342 0.49 -0.241 -0.17 -0.33 -0.573 -0.522938564026647 -1.00719388855836 -0.4937 -0.4228 1318553 Maybridge4_003988 NNC(=O)c1ccc(cc1)c2ccccc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F07 compound treatment -0.16 -0.0306 -0.04 -0.096 -0.0246 -0.05 0.28 0.330061435973353 0.635707297242316 0.3139 0.4912 3179537 Maybridge4_003989 OC1CS(=O)(=O)CC1S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F08 compound treatment 0.136 0.265 0.38 0.231 0.302 0.6 0.214 0.264061435973353 0.508589503264772 0.8563 0.9837 3064656 Maybridge4_003990 COc1cc(cc(c1C(=O)NCc2cccs2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F09 compound treatment 0.014 0.143 0.2 0.119 0.19 0.38 0.38 0.430061435973353 0.828310015390109 0.813 0.8721 3179538 Maybridge4_003991 CSc1ccc(s1)C(=O)NC(=O)NCc2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F10 compound treatment -0.065 0.0644 0.09 -0.48 -0.409 -0.81 -0.119 -0.068938564026647 -0.132777548167379 -0.4895 -0.5951 1598180 Maybridge4_003992 CN(C)c1cnn(c2cnc3ccccc3n2)c(=O)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F11 compound treatment 0.016 0.145 0.21 -1.172 -1.1 -2.17 -1.784 -1.73393856402665 -3.33961280532814 -3.0634 -0.7678 3179539 Maybridge4_003993 Cc1nnsc1C(=O)Oc2ccc(cc2)c3nn[nH]c3C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F12 compound treatment -0.029 0.1 0.14 0.097 0.168 0.33 0.169 0.219061435973353 0.421918280098265 0.518 0.9319 3179540 Maybridge4_003994 CC(C)(C)c1cc(n(n1)c2ccc(cc2)n3cccc3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F13 compound treatment -0.276 -0.147 -0.21 0.491 0.562 1.11 0.494 0.544061435973353 1.04787711407859 1.1258 0.7306 3064661 Maybridge4_003995 CCOC(=O)c1cc(CSc2ccc(cn2)C(F)(F)F)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F14 compound treatment -0.214 -0.0846 -0.12 0.013 0.0844 0.17 0.023 0.073061435973353 0.140718311602487 0.1081 0.4338 1225795 Maybridge4_003996 CNC(=S)N1CCN(CC1)c2ccccc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F15 compound treatment -0.708 -0.579 -0.82 -0.143 -0.0716 -0.14 0.107 0.157061435973353 0.302504594846634 -0.3819 -0.4301 3179541 Maybridge4_003997 Clc1cc(Cl)cc(c1)C(=O)OCCSc2cnc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F16 compound treatment -1.125 -0.996 -1.42 0.079 0.15 0.3 -0.159 -0.108938564026647 -0.209818635426496 -0.7669 -0.5247 3064703 Maybridge4_003998 CS(=O)(=O)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F17 compound treatment 0.0 0.129 0.18 0.214 0.285 0.56 -0.082 -0.031938564026647 -0.0615145424526954 0.3961 0.6645 3179628 Maybridge4_003999 FC(F)(F)c1cccc(NC(=S)N2CCCC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F18 compound treatment -0.031 0.0984 0.14 -0.628 -0.557 -1.1 -0.617 -0.566938564026647 -1.09193908454339 -1.1841 -0.7613 1219010 Maybridge4_004000 COc1cccc(Oc2ccc(OC)cc2C(=O)NN)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F19 compound treatment -0.115 0.0144 0.02 -0.061 0.0104 0.02 -0.186 -0.135938564026647 -0.2618213693264 -0.1274 -0.4838 1054347 Maybridge4_004001 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F20 compound treatment -0.455 -0.326 -0.46 0.047 0.118 0.23 -0.147 -0.096938564026647 -0.186706309248761 -0.24 -0.4355 1252794 Maybridge4_004002 CC(C)Cc1ccc(cc1)C(C)c2nc(no2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F21 compound treatment -0.438 -0.309 -0.44 -0.559 -0.488 -0.96 -0.279 -0.228938564026647 -0.440941897203848 -1.0637 -0.928 3179629 Maybridge4_004003 Cc1nc(sc1C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F22 compound treatment -0.026 0.103 0.15 0.015 0.0864 0.17 0.013 0.063061435973353 0.121458039787708 0.2535 0.9907 3179630 Maybridge4_004004 CC(C)(C)c1n[nH]c(c1Cc2c(F)cccc2Cl)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F23 mock treatment 0.447 0.576 0.82 0.163 0.234 0.46 0.209 0.259061435973353 0.498959367357383 1.0285 0.9654 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 F24 mock treatment -0.106 0.0234 0.03 0.047 0.118 0.23 -0.056 -0.005938564026647 -0.0114378357342692 0.1476 0.6243 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G01 compound treatment -0.232 -0.103 -0.15 -0.079 -0.00756 -0.01 -0.016 0.034061435973353 0.0656032515248481 -0.055 -0.3421 3064707 Maybridge4_004005 O=C(NC1CCCCNC1=O)c2ccc3nsnc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G02 compound treatment -0.296 -0.167 -0.24 0.187 0.258 0.51 -0.042 0.00806143597335299 0.0155265448064219 0.1668 0.2964 3179631 Maybridge4_004006 Cc1noc(C)c1C(=O)N2CCc3sccc3C2c4ccc(cc4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G03 compound treatment -0.343 -0.214 -0.3 -0.1 -0.0286 -0.06 -0.153 -0.102938564026647 -0.198262472337629 -0.3224 -0.8783 1266306 Maybridge4_004007 NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G04 compound treatment -0.655 -0.526 -0.75 -0.301 -0.23 -0.45 -0.131 -0.080938564026647 -0.155889874345114 -0.7831 -0.8821 3179632 Maybridge4_004008 CCOC(=O)c1ncoc1c2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G05 compound treatment -0.762 -0.633 -0.9 -0.297 -0.226 -0.45 -0.066 -0.015938564026647 -0.0306981075490485 -0.7941 -0.7909 3064708 Maybridge4_004009 Clc1cccc(NC(=O)NCc2csc(n2)c3cccs3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G06 compound treatment -0.258 -0.129 -0.18 -0.593 -0.522 -1.03 -0.133 -0.082938564026647 -0.15974192870807 -0.7924 -0.7489 1361028 Maybridge4_004010 COc1ccc(cc1)C2N(CCc3sccc23)S(=O)(=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G07 compound treatment -0.368 -0.239 -0.34 -0.35 -0.279 -0.55 0.119 0.169061435973353 0.325616921024369 -0.3254 -0.4497 3179633 Maybridge4_004011 O=C(N1CCC2(CC1)NC(=O)c3ccccc3O2)c4ncoc4c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G08 compound treatment -0.933 -0.804 -1.14 -0.967 -0.896 -1.77 -0.543 -0.492938564026647 -0.949413073114022 -2.2287 -0.965 3064709 Maybridge4_004012 NC(=S)c1sccc1CS(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G09 compound treatment 0.013 0.142 0.2 0.333 0.404 0.8 0.337 0.387061435973353 0.745490846586558 1.0084 0.9076 3179634 Maybridge4_004013 COc1ccccc1CC(=O)NCc2ccc(cc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G10 compound treatment -0.059 0.0704 0.1 -0.551 -0.48 -0.95 -0.4 -0.349938564026647 -0.673991186162678 -0.878 -0.7527 3064710 Maybridge4_004014 FC(F)(F)c1cc(=O)[nH]c2CCCC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G11 compound treatment 0.297 0.426 0.61 0.26 0.331 0.65 -0.026 0.024061435973353 0.0463429797100688 0.7546 0.8448 3179635 Maybridge4_004015 Cc1nn(nc1CNC(=O)C2CC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G12 compound treatment 0.465 0.594 0.85 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 0.625 0.7249 3064711 Maybridge4_004016 FC(F)(F)c1cccc(OCc2ccc(cc2)c3ncns3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G13 compound treatment 1.038 1.17 1.63 0.535 0.606 1.2 0.246 0.296061435973353 0.570222373072066 1.9617 0.9335 3179636 Maybridge4_004017 Fc1cc(C(=O)NCc2ccco2)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G14 compound treatment -0.566 -0.437 -0.62 -0.339 -0.268 -0.53 -0.271 -0.220938564026647 -0.425533679752025 -0.9091 -0.9887 3064712 Maybridge4_004018 Fc1ccc(OC(=O)/C(=C\c2cccs2)/c3ccsc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G15 compound treatment -0.534 -0.405 -0.58 0.047 0.118 0.23 0.0 0.050061435973353 0.096419686428495 -0.1414 -0.2251 3179637 Maybridge4_004019 COC(=O)C1=NN(C(=O)C1)c2c(C)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G16 compound treatment -0.554 -0.425 -0.6 -0.25 -0.179 -0.35 -0.017 0.033061435973353 0.0636772243433702 -0.5153 -0.7341 1285053 Maybridge4_004020 Fc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(F)cc2Cl)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G17 compound treatment -0.951 -0.822 -1.17 -0.317 -0.246 -0.48 -0.083 -0.032938564026647 -0.0634405696341733 -0.991 -0.7826 3179638 Maybridge4_004021 Clc1ccc(CSCc2ccc(cc2)c3csnn3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G18 compound treatment 0.016 0.145 0.21 0.246 0.317 0.63 0.227 0.277061435973353 0.533627856623985 0.7893 0.93 1173952 Maybridge4_004022 COc1cc(NS(=O)(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G19 compound treatment -0.35 -0.221 -0.31 -0.145 -0.0736 -0.15 0.291 0.341061435973353 0.656893596238573 0.1143 0.154 1587917 Maybridge4_004023 Clc1cc(Cl)cc(c1)C(=O)NCc2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G20 compound treatment -0.744 -0.615 -0.87 -1.415 -1.34 -2.65 -0.391 -0.340938564026647 -0.656656941529376 -2.4153 -0.8418 3179639 Maybridge4_004024 Clc1ccc(/C=N/Cc2ccc(s2)c3cccs3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G21 compound treatment -0.246 -0.117 -0.17 -0.029 0.0424 0.08 -0.897 -0.846938564026647 -1.63122669535721 -0.9891 -0.6025 3064752 Maybridge4_004025 Cc1cc(C(=O)O)c(C)n1c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G22 compound treatment -0.29 -0.161 -0.23 -1.527 -1.46 -2.87 -1.506 -1.45593856402665 -2.80417724887727 -3.4101 -0.8479 1446641 Maybridge4_004026 COc1ccc2ncc3COc4ccc(Cl)cc4-c3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G23 mock treatment 0.279 0.408 0.58 0.511 0.582 1.15 0.041 0.091061435973353 0.17538680086909 1.1005 0.8464 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 G24 mock treatment 0.324 0.453 0.64 -0.03 0.0414 0.08 -0.045 0.005061435973353 0.00974846326198809 0.4251 0.654 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H01 compound treatment -0.311 -0.182 -0.26 0.0 0.0714 0.14 -0.016 0.034061435973353 0.0656032515248481 -0.0297 -0.0987 3064753 Maybridge4_004027 CC(=O)Nc1ccccc1OCC(O)CS(=O)(=O)c2ccc(cn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H02 compound treatment -0.523 -0.394 -0.56 -0.573 -0.502 -0.99 -0.143 -0.092938564026647 -0.179002200522849 -0.9982 -0.8669 3064754 Maybridge4_004028 CC(C)c1ccc(C)c2c(C#N)cc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H03 compound treatment -0.5 -0.371 -0.53 -0.045 0.0264 0.05 -0.127 -0.076938564026647 -0.148185765619202 -0.3596 -0.6541 3064755 Maybridge4_004029 Cc1noc(c1c2nnc(o2)c3cccc(c3)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H04 compound treatment 0.4 0.529 0.75 0.525 0.596 1.18 0.283 0.333061435973353 0.64148537878675 1.4849 0.9655 3064756 Maybridge4_004030 COc1ccc(C/N=C/c2ccc(OC)c(OC)c2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H05 compound treatment -0.746 -0.617 -0.88 -0.385 -0.314 -0.62 0.286 0.336061435973353 0.647263460331183 -0.4899 -0.3909 3064758 Maybridge4_004031 Clc1ccc(cc1)c2cc[nH]n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H06 compound treatment 0.014 0.143 0.2 -0.286 -0.215 -0.42 -0.313 -0.262938564026647 -0.506426821374098 -0.4193 -0.6067 3179640 Maybridge4_004032 COC(=O)Cc1nc(sc1C)c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H07 compound treatment 0.118 0.247 0.35 -0.166 -0.0946 -0.19 0.231 0.281061435973353 0.541331965349897 0.4078 0.6068 1266051 Maybridge4_004033 COc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)CC2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H08 compound treatment 0.656 0.785 1.12 0.9 0.971 1.92 1.55 1.60006143597335 2.4428715484032 3.1625 0.9582 3179641 Maybridge4_004034 COc1cc(cc(c1C(=O)N2CCC(CC2)C(=O)c3ccc(Cl)cc3)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H09 compound treatment 0.491 0.62 0.88 -0.177 -0.106 -0.21 -0.056 -0.005938564026647 -0.0114378357342692 0.3823 0.4218 1103147 Maybridge4_004035 N#Cc1c(nc2SCCn12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H10 compound treatment -0.103 0.0264 0.04 0.036 0.107 0.21 0.2 0.250061435973353 0.481625122724081 0.4222 0.8003 3179642 Maybridge4_004036 Brc1cc(Br)cc(c1)C(=O)NC(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H11 compound treatment 0.014 0.143 0.2 -0.512 -0.441 -0.87 -0.426 -0.375938564026647 -0.724067892881104 -0.8026 -0.6979 3064759 Maybridge4_004037 O=S(=O)(/C(=C/c1ccc(s1)C2=CCOc3ccccc23)/C#N)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H12 compound treatment -0.145 -0.0156 -0.02 0.292 0.363 0.72 0.076 0.126061435973353 0.242797752220818 0.5417 0.7147 1625813 Maybridge4_004038 CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)c(n1)N(CC)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H13 compound treatment -0.682 -0.553 -0.79 0.026 0.0974 0.19 -0.131 -0.080938564026647 -0.155889874345114 -0.4325 -0.5251 3179643 Maybridge4_004039 CCOC(=O)c1cc(CSc2cccc(c2)C(F)(F)F)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H14 compound treatment -0.104 0.0254 0.04 0.182 0.253 0.5 0.357 0.407061435973353 0.784011390216117 0.7624 0.8191 3064760 Maybridge4_004040 Cc1ccc(SCCC(=O)N2CCN(CC2)c3ncc(cc3Cl)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H15 compound treatment 1.271 1.4 1.76 0.329 0.4 0.79 0.246 0.296061435973353 0.570222373072066 1.8035 0.8953 1714044 Maybridge4_004041 O=C1CC(Sc2ccccc2N1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H16 compound treatment -0.723 -0.594 -0.84 -2.403 -2.33 -4.6 -1.616 -1.56593856402665 -3.01604023883984 -4.8865 -0.8776 3179644 Maybridge4_004042 CNC(=S)Nc1ccc(nc1)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H17 compound treatment 0.259 0.388 0.55 0.684 0.755 1.49 0.529 0.579061435973353 1.11528806543032 1.8239 0.9389 3064761 Maybridge4_004043 FC(F)(F)c1ccccc1NC(=S)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H18 compound treatment 0.137 0.266 0.38 0.346 0.417 0.82 -0.449 -0.398938564026647 -0.768366518055096 0.2509 0.2111 3179645 Maybridge4_004044 Cc1ccc(SCc2cccc(c2)C(=O)N3CCN(CC3)c4ncccc4C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H19 compound treatment 0.104 0.233 0.33 -0.085 -0.0136 -0.03 -0.126 -0.075938564026647 -0.146259738437724 0.0917 0.2522 3064762 Maybridge4_004045 FC(F)(F)C(CNC(=O)Nc1ccccc1)c2ccc[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H20 compound treatment -1.964 -1.83 -2.61 -1.195 -1.12 -2.22 -1.197 -1.14693856402665 -2.20903484980059 -4.0622 -0.9969 3179646 Maybridge4_004046 FC(F)(F)Oc1ccc(cc1)C2N(CCc3sccc23)C(=O)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H21 compound treatment 0.491 0.62 0.88 0.082 0.153 0.3 0.099 0.149061435973353 0.28709637739481 0.8499 0.871 1471144 Maybridge4_004047 Cc1nc(sc1C(=O)Oc2ccc(Cl)cc2)C(=O)Oc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H22 compound treatment -0.329 -0.2 -0.28 -0.586 -0.515 -1.02 -0.459 -0.408938564026647 -0.787626789869876 -1.2052 -0.9154 3179647 Maybridge4_004048 CC(C)(C)C(=O)C(Cc1c(F)cccc1Cl)C(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H23 mock treatment -0.077 0.0524 0.07 -0.157 -0.0856 -0.17 0.0 0.050061435973353 0.096419686428495 0.0011 0.0055 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 H24 mock treatment -0.127 0.00241 0.0 -0.056 0.0154 0.03 0.108 0.158061435973353 0.304430622028112 0.1953 0.6384 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I01 compound treatment -0.234 -0.105 -0.15 -0.132 -0.0606 -0.12 0.0 0.050061435973353 0.096419686428495 -0.0992 -0.4641 3064764 Maybridge4_004049 Cc1nn(C)c2sc(cc12)C(=O)NC3CCCCNC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I02 compound treatment -0.205 -0.0756 -0.11 0.689 0.76 1.5 0.167 0.217061435973353 0.41806622573531 1.0462 0.6697 3179648 Maybridge4_004050 FC(F)(F)c1ccc(cc1)C2N(CCc3sccc23)C(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I03 compound treatment -0.757 -0.628 -0.89 -0.5 -0.429 -0.85 0.21 0.260061435973353 0.500885394538861 -0.7145 -0.5381 3179649 Maybridge4_004051 CC1(C)CCc2cc(ccc2O1)S(=O)(=O)NCc3ccc(cc3)S(=O)(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I04 compound treatment -2.143 -2.01 -2.86 -1.512 -1.44 -2.84 -1.767 -1.71693856402665 -3.30687034324301 -5.2043 -0.9975 3064766 Maybridge4_004052 NNC(=O)c1ncoc1c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I05 compound treatment -0.795 -0.666 -0.95 -0.179 -0.108 -0.21 -0.271 -0.220938564026647 -0.425533679752025 -0.9147 -0.8636 3064767 Maybridge4_004053 Cc1cc(C)cc(NC(=O)NCc2csc(n2)c3cccs3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I06 compound treatment -0.297 -0.168 -0.24 -0.098 -0.0266 -0.05 0.135 0.185061435973353 0.356433355928016 0.0379 0.0878 1598083 Maybridge4_004054 NNC(=O)CS(=O)(=O)Cc1ccc(cc1)c2csnn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I07 compound treatment -0.125 0.00441 0.01 0.092 0.163 0.32 0.15 0.200061435973353 0.385323763650185 0.4124 0.8205 3179650 Maybridge4_004055 O=C(NCc1ccc2OCCc2c1)c3ccc4nsnc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I08 compound treatment -0.204 -0.0746 -0.11 -0.527 -0.456 -0.9 -0.33 -0.279938564026647 -0.539169283459222 -0.8919 -0.8461 1651781 Maybridge4_004056 CC(C)(C)c1csc(n1)c2sccc2COc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I09 compound treatment 0.117 0.246 0.35 -0.207 -0.136 -0.27 -0.12 -0.069938564026647 -0.134703575348857 -0.03 -0.0652 3179651 Maybridge4_004057 Cn1nc(cc1C(=O)NCc2ccc(cc2)c3cccs3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I10 compound treatment -1.257 -1.13 -1.6 -0.811 -0.74 -1.46 -1.187 -1.13693856402665 -2.18977457798581 -3.033 -0.9841 1154669 Maybridge4_004058 Cc1nn(cc1c2nsc(Nc3ccccc3)n2)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I11 compound treatment 0.794 0.923 1.31 -1.895 -1.82 -3.6 -0.736 -0.685938564026647 -1.32113631913926 -2.0836 -0.514 3179736 Maybridge4_004059 CN1CCOc2cc(ccc12)S(=O)(=O)NCc3nn(nc3C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I12 compound treatment -0.015 0.114 0.16 0.097 0.168 0.33 0.159 0.209061435973353 0.402658008283486 0.5184 0.9477 3064768 Maybridge4_004060 Fc1ccc(NC(=O)NC(=O)c2csc(n2)c3ccc(cc3Cl)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I13 compound treatment 0.179 0.308 0.44 0.87 0.941 1.86 0.169 0.219061435973353 0.421918280098265 1.57 0.8027 3179737 Maybridge4_004061 Fc1cc(C(=O)NCc2ccc(cc2)N3CCOCC3)c4OCOCc4c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I14 compound treatment -0.121 0.00841 0.01 0.145 0.216 0.43 0.241 0.291061435973353 0.560592237164677 0.5773 0.8188 3179738 Maybridge4_004062 Cc1cc(NC(=O)/C(=C/c2cccs2)/c3ccsc3)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I15 compound treatment -1.213 -1.08 -1.54 -0.198 -0.127 -0.25 -0.303 -0.252938564026647 -0.487166549559318 -1.315 -0.8043 3064816 Maybridge4_004063 COC(=O)C/1=NN(C(=O)\C1=N/O)c2c(C)cccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I16 compound treatment -1.333 -1.2 -1.71 -1.447 -1.38 -2.72 -0.94 -0.889938564026647 -1.71404586416076 -3.5457 -0.9743 3064817 Maybridge4_004064 COC(=O)C/1=NN(C(=O)\C1=C/N(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I17 compound treatment -0.03 0.0994 0.14 -0.661 -0.59 -1.16 -0.025 0.025061435973353 0.0482690068915467 -0.5626 -0.4794 3064818 Maybridge4_004065 FC(F)(F)c1cc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I18 compound treatment 0.375 0.504 0.72 0.824 0.895 1.77 -0.186 -0.135938564026647 -0.2618213693264 1.2837 0.6666 3064819 Maybridge4_004066 OC(=O)c1coc2CCC/C(=N\N3CCCCC3)/c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I19 compound treatment -2.0 -1.87 -2.66 -1.78 -1.71 -3.37 -0.439 -0.388938564026647 -0.749106246240317 -3.9157 -0.898 1604639 Maybridge4_004067 CNC(=S)NCc1ccc(cc1)c2csnn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I20 compound treatment -0.156 -0.0266 -0.04 0.04 0.111 0.22 -0.074 -0.023938564026647 -0.0461063250008719 0.0786 0.3447 3064820 Maybridge4_004068 FC(F)(F)c1cccc(/C=N/Cc2ccc(s2)c3cccs3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I21 compound treatment -0.203 -0.0736 -0.1 -0.017 0.0544 0.11 -0.055 -0.004938564026647 -0.00951180855279123 -0.0038 -0.0256 3064821 Maybridge4_004069 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Oc2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I22 compound treatment -0.465 -0.336 -0.48 -0.803 -0.732 -1.44 -0.786 -0.735938564026647 -1.41743767821316 -1.9278 -0.9272 3064822 Maybridge4_004070 COc1cc(/C=C\2/N=C(C)OC2=O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I23 mock treatment -0.363 -0.234 -0.33 0.089 0.16 0.32 -0.087 -0.036938564026647 -0.071144678360085 -0.0499 -0.1075 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 I24 mock treatment -0.03 0.0994 0.14 0.063 0.134 0.27 0.1 0.150061435973353 0.289022404576288 0.4017 0.9631 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J01 compound treatment -1.317 -1.19 -1.69 -0.667 -0.596 -1.18 0.063 0.113061435973353 0.217759398861605 -1.5281 -0.7385 3064823 Maybridge4_004071 CSc1cc(n[nH]1)c2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J02 compound treatment -0.111 0.0184 0.03 -0.5 -0.429 -0.85 -0.262 -0.211938564026647 -0.408199435118723 -0.7091 -0.7545 3179739 Maybridge4_004072 CC(C)c1ccc(C)c2c(/C=C(/C#N)\S(=O)(=O)C)cc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J03 compound treatment -2.255 -2.13 -3.02 -2.078 -2.01 -3.96 -1.506 -1.45593856402665 -2.80417724887727 -5.6513 -0.9884 3064824 Maybridge4_004073 Nc1nc2c(c(sc2s1)C(F)(F)F)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J04 compound treatment -1.111 -0.982 -1.4 -0.293 -0.222 -0.44 -0.11 -0.059938564026647 -0.115443303534077 -1.125 -0.7668 3179740 Maybridge4_004074 NC(=S)Nc1ccc(cc1Cl)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J05 compound treatment -0.24 -0.111 -0.16 0.388 0.459 0.91 0.116 0.166061435973353 0.319838839479935 0.6176 0.6337 3179741 Maybridge4_004075 COC(=O)c1sc(c(c1S(=O)(=O)N2CCOCC2)c3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J06 compound treatment -0.09 0.0394 0.06 0.141 0.212 0.42 0.101 0.151061435973353 0.290948431757766 0.4425 0.8617 3064825 Maybridge4_004076 CC(C)N(C(C)C)C(=O)c1ccc(cc1)c2ccccc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J07 compound treatment -0.065 0.0644 0.09 0.06 0.131 0.26 0.016 0.066061435973353 0.127236121332142 0.2762 0.9109 1125107 Maybridge4_004077 Clc1snnc1CN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J08 compound treatment -0.456 -0.327 -0.46 -0.532 -0.461 -0.91 0.065 0.115061435973353 0.221611453224561 -0.6652 -0.6366 3179742 Maybridge4_004078 Clc1ccc(Sc2ccc(C#N)cn2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J09 compound treatment 0.013 0.142 0.2 -0.158 -0.0866 -0.17 0.32 0.370061435973353 0.712748384501433 0.4297 0.5651 3179743 Maybridge4_004079 COc1cc(cc(OC)c1OC)C(=O)OC(Cc2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J10 compound treatment 0.014 0.143 0.2 -0.557 -0.486 -0.96 -0.136 -0.085938564026647 -0.165520010252504 -0.5314 -0.5345 1420510 Maybridge4_004080 NC(=S)c1nc(oc1N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J11 compound treatment 0.727 0.856 1.22 -0.408 -0.337 -0.66 -0.301 -0.250938564026647 -0.483314495196362 0.0403 0.0274 3064826 Maybridge4_004081 CCOC(=O)Cc1csc(n1)c2ncc(cc2Cl)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J12 compound treatment -0.075 0.0544 0.08 0.016 0.0874 0.17 0.155 0.205061435973353 0.394953899557574 0.3724 0.8503 1571322 Maybridge4_004082 CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(n1)N(CC)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J13 compound treatment -0.162 -0.0326 -0.05 0.149 0.22 0.44 0.505 0.555061435973353 1.06906341307485 0.8418 0.7287 3064827 Maybridge4_004083 CC(C)(C)Cc1nc(no1)C2(CC2)c3ccc(Cl)cc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J14 compound treatment -0.778 -0.649 -0.92 -0.091 -0.0196 -0.04 0.302 0.352061435973353 0.67807989523483 -0.1632 -0.1425 3179744 Maybridge4_004084 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)c2ccccc2)cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J15 compound treatment -0.373 -0.244 -0.35 -0.213 -0.142 -0.28 -0.068 -0.017938564026647 -0.0345501619120044 -0.3813 -0.8541 1672501 Maybridge4_004085 O=C(NC(=O)N1CCCC1)C2CCN(CC2)c3cnc4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J16 compound treatment 0.072 0.201 0.29 0.341 0.412 0.81 0.205 0.255061435973353 0.491255258631471 0.9191 0.9254 3064828 Maybridge4_004086 CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J17 compound treatment -0.824 -0.695 -0.99 -0.304 -0.233 -0.46 -0.337 -0.286938564026647 -0.552651473729568 -1.1544 -0.9452 1716306 Maybridge4_004087 O=C(C1CCN(CC1)C(=O)c2ccco2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J18 compound treatment 0.288 0.417 0.59 -0.066 0.00544 0.01 0.113 0.163061435973353 0.314060757935501 0.5302 0.7895 1727489 Maybridge4_004088 Cc1ccc(F)cc1N2CC(CC2=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J19 compound treatment 0.19 0.319 0.45 -0.236 -0.165 -0.32 -0.254 -0.203938564026647 -0.3927912176669 -0.1522 -0.2229 3179745 Maybridge4_004089 Clc1ccc(/C=C/2\COC/C(=C\c3ccc(Cl)cc3)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J20 compound treatment 0.741 0.87 1.24 0.983 1.05 2.08 0.22 0.270061435973353 0.52014566635364 2.2168 0.8949 1700558 Maybridge4_004090 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J21 compound treatment 0.209 0.338 0.48 -0.125 -0.0536 -0.11 0.14 0.190061435973353 0.366063491835405 0.4281 0.6975 3064829 Maybridge4_004091 Fc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J22 compound treatment -0.341 -0.212 -0.3 -1.192 -1.12 -2.21 -0.341 -0.290938564026647 -0.56035558245548 -1.7746 -0.7709 3064830 Maybridge4_004092 CC(C)(C)c1nnc(o1)c2cccc(NS(=O)(=O)c3ccc(s3)c4ccon4)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J23 mock treatment 0.339 0.468 0.67 -0.122 -0.0506 -0.1 0.111 0.161061435973353 0.310208703572545 0.506 0.6824 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 J24 mock treatment -0.076 0.0534 0.08 -0.032 0.0394 0.08 0.014 0.064061435973353 0.123384066969186 0.16 0.973 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K01 compound treatment -0.5 -0.371 -0.53 -0.071 4.38E-4 0.0 -0.032 0.018061435973353 0.0347868166212012 -0.2836 -0.5371 3179746 Maybridge4_004093 Clc1ccc(cc1)S(=O)(=O)NC2CCCCNC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K02 compound treatment -0.909 -0.78 -1.11 -0.516 -0.445 -0.88 -0.143 -0.092938564026647 -0.179002200522849 -1.2501 -0.8771 3179747 Maybridge4_004094 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc(c2)c3nnco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K03 compound treatment -0.852 -0.723 -1.03 -0.537 -0.466 -0.92 -0.164 -0.113938564026647 -0.219448771333886 -1.2506 -0.8959 3064831 Maybridge4_004095 O=S(=O)(NCC1COc2ccccc2O1)c3ccc(nc3)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K04 compound treatment -0.406 -0.277 -0.39 -0.187 -0.116 -0.23 -0.311 -0.260938564026647 -0.502574767011142 -0.6489 -0.9576 1348923 Maybridge4_004096 Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K05 compound treatment -2.153 -2.02 -2.88 -1.812 -1.74 -3.44 -0.986 -0.935938564026647 -1.80264311450875 -4.6861 -0.97 3179748 Maybridge4_004097 Cc1cc(c(C)o1)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K06 compound treatment -0.093 0.0364 0.05 0.077 0.148 0.29 -0.16 -0.109938564026647 -0.211744662607974 0.0769 0.2104 1281685 Maybridge4_004098 NC(=O)c1cnc2SCCn2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K07 compound treatment -0.288 -0.159 -0.23 -0.219 -0.148 -0.29 0.338 0.388061435973353 0.747416873768036 0.1331 0.1598 3064832 Maybridge4_004099 COc1ccc(cc1)C(=O)NCc2ccc3OCCc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K08 compound treatment -0.7 -0.571 -0.81 -0.162 -0.0906 -0.18 0.172 0.222061435973353 0.427696361642699 -0.3247 -0.3475 3179749 Maybridge4_004100 CC(C)(C)c1csc(n1)c2sccc2CS(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K09 compound treatment -0.386 -0.257 -0.36 -0.863 -0.792 -1.56 -0.299 -0.248938564026647 -0.479462440833407 -1.3898 -0.8297 3179750 Maybridge4_004101 COc1ccccc1CC(=O)NCc2nn(nc2C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K10 compound treatment -0.158 -0.0286 -0.04 -0.548 -0.477 -0.94 -0.928 -0.877938564026647 -1.69093353798303 -1.543 -0.7972 3064834 Maybridge4_004102 FC(F)(F)c1ccc(SCCS(=O)(=O)CCSc2ccc(cn2)C(F)(F)F)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K11 compound treatment -0.243 -0.114 -0.16 -0.789 -0.718 -1.42 -1.205 -1.15493856402665 -2.22444306725241 -2.1955 -0.8309 3179751 Maybridge4_004103 Cc1noc(C)c1S(=O)(=O)NCc2nn(nc2C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K12 compound treatment 0.157 0.286 0.41 0.097 0.168 0.33 0.045 0.095061435973353 0.183090909595002 0.5328 0.9571 3064714 Maybridge4_004104 OC(=O)c1ncoc1c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K13 compound treatment 0.604 0.733 1.04 0.806 0.877 1.73 0.0 0.050061435973353 0.096419686428495 1.658 0.819 1121050 Maybridge4_004105 CCOC(=O)c1c(NC(=O)C)nc(SC)n1Cc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K14 compound treatment -0.333 -0.204 -0.29 -0.731 -0.66 -1.3 -0.356 -0.305938564026647 -0.589245990177649 -1.2592 -0.8634 3179752 Maybridge4_004106 FC(F)(F)c1ccc(SC(=O)/C(=C\c2cccs2)/c3ccsc3)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K15 compound treatment 1.905 2.03 2.03 0.868 0.939 1.85 0.477 0.527061435973353 1.01513465199347 2.8263 0.9653 3064716 Maybridge4_004107 CCOC(=O)c1n[nH]c(=S)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K16 compound treatment 0.283 0.412 0.59 -0.016 0.0554 0.11 0.153 0.203061435973353 0.391101845194619 0.6275 0.8798 3179753 Maybridge4_004108 COC(=O)c1nn(c2ccccc2)c3oc(=O)cc(C)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K17 compound treatment -0.379 -0.25 -0.35 -0.031 0.0404 0.08 0.244 0.294061435973353 0.56637031870911 0.1682 0.2499 3064717 Maybridge4_004109 CC(C)(C)S(=O)(=O)/C(=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K18 compound treatment -0.048 0.0814 0.12 0.292 0.363 0.72 0.125 0.175061435973353 0.337173084113236 0.6758 0.8434 3179754 Maybridge4_004110 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)c4cccc(c4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K19 compound treatment -0.492 -0.363 -0.52 -0.587 -0.516 -1.02 -0.03 0.020061435973353 0.0386388709841571 -0.8631 -0.7559 3064769 Maybridge4_004111 CC1=NN(C(=O)C1)c2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K20 compound treatment -0.37 -0.241 -0.34 -0.698 -0.627 -1.24 -0.061 -0.010938564026647 -0.0210679716416588 -0.9239 -0.7197 1351476 Maybridge4_004112 Fc1ccccc1NC(=O)NCc2sccc2COc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K21 compound treatment 0.043 0.172 0.25 0.4 0.471 0.93 0.066 0.116061435973353 0.223537480406039 0.808 0.8177 3064771 Maybridge4_004113 CCCC1N(CCc2sccc12)C(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K22 compound treatment 0.045 0.174 0.25 -1.194 -1.12 -2.22 -1.25 -1.19993856402665 -2.31111429041892 -2.4709 -0.7693 3179755 Maybridge4_004114 COc1cc(/C=C(\NC(=O)C)/C(=O)O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K23 mock treatment 0.029 0.158 0.23 0.067 0.138 0.27 0.027 0.077061435973353 0.148422420328399 0.3735 0.9727 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 K24 mock treatment -0.205 -0.0756 -0.11 0.122 0.193 0.38 -0.125 -0.074938564026647 -0.144333711256246 0.0751 0.178 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L01 compound treatment -0.182 -0.0526 -0.07 0.02 0.0914 0.18 0.281 0.331061435973353 0.637633324423794 0.4292 0.6436 3064772 Maybridge4_004115 FC(F)(F)c1sc(cc1c2ccccc2)C(=O)Oc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L02 compound treatment -0.939 -0.81 -1.15 -1.258 -1.19 -2.34 -0.464 -0.413938564026647 -0.797256925777265 -2.4775 -0.9077 3179756 Maybridge4_004116 NC(=S)c1ccc(s1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L03 compound treatment -0.62 -0.491 -0.7 -0.818 -0.747 -1.47 -0.153 -0.102938564026647 -0.198262472337629 -1.3682 -0.8329 3179757 Maybridge4_004117 COc1ccc(SCc2nsc(Sc3ccc(OC)cc3)n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L04 compound treatment -0.378 -0.249 -0.35 0.095 0.166 0.33 0.145 0.195061435973353 0.375693627742795 0.2026 0.3312 3064773 Maybridge4_004118 OC(=O)c1c-2c(CSc3ccc(Cl)cc32)nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L05 compound treatment -1.154 -1.02 -1.46 -0.535 -0.464 -0.92 -0.717 -0.666938564026647 -1.28454180269118 -2.1111 -0.9833 3179758 Maybridge4_004119 CSC(=N)Nc1csc(c1c2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L06 compound treatment 0.222 0.351 0.5 0.704 0.775 1.53 0.086 0.136061435973353 0.262058024035597 1.3237 0.8112 3179759 Maybridge4_004120 O=C/1Nc2ccccc2\C1=C/c3ccccc3N4CCN(Cc5ccccc5)CC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L07 compound treatment 0.048 0.177 0.25 -0.056 0.0154 0.03 -0.191 -0.140938564026647 -0.27145150523379 0.0065 0.0175 3064774 Maybridge4_004121 NC(=S)c1cc(c(s1)C(F)(F)F)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L08 compound treatment -1.27 -1.14 -1.62 -0.69 -0.619 -1.22 -0.543 -0.492938564026647 -0.949413073114022 -2.1896 -0.977 3064775 Maybridge4_004122 CCOC(=O)Cc1c(C#N)c(N)sc1C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L09 compound treatment 0.246 0.375 0.53 -0.333 -0.262 -0.52 -0.054 -0.003938564026647 -0.0075857813713133 0.0056 0.0075 3179760 Maybridge4_004123 FC(F)(F)C(Cc1ccccc1)OC(=O)c2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L10 compound treatment -0.212 -0.0826 -0.12 0.472 0.543 1.07 0.671 0.721061435973353 1.38878392520019 1.3535 0.7695 3064776 Maybridge4_004124 CC(C)(C)c1ccc(s1)C(=O)Nc2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L11 compound treatment -0.18 -0.0506 -0.07 -0.012 0.0594 0.12 0.152 0.202061435973353 0.389175818013141 0.2509 0.6078 3178169 Maybridge4_004125 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)CSc4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L12 compound treatment 0.254 0.383 0.55 0.169 0.24 0.47 0.016 0.066061435973353 0.127236121332142 0.6623 0.9023 3178170 Maybridge4_004126 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)c4cccs4)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L13 compound treatment -0.375 -0.246 -0.35 -0.079 -0.00756 -0.01 -0.018 0.032061435973353 0.0617511971618922 -0.1746 -0.4919 3064777 Maybridge4_004127 FC(F)(F)c1ccnc(c1)c2ccc(s2)S(=O)(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L14 compound treatment -0.692 -0.563 -0.8 -0.31 -0.239 -0.47 -0.071 -0.020938564026647 -0.0403282434564381 -0.7571 -0.8148 3064778 Maybridge4_004128 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)C(F)(F)F)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L15 compound treatment 0.391 0.52 0.74 0.229 0.3 0.59 0.125 0.175061435973353 0.337173084113236 0.9643 0.9581 3178171 Maybridge4_004129 Cc1onc(c1NC(=O)OCCOc2cc(ccn2)C(F)(F)F)c3c(Cl)cccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L16 compound treatment -0.358 -0.229 -0.33 0.364 0.435 0.86 0.345 0.395061435973353 0.760899064038381 0.7481 0.6269 3178172 Maybridge4_004130 CC(C)Cc1ccc(cc1)C(C)C(=O)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L17 compound treatment -0.157 -0.0276 -0.04 -0.883 -0.812 -1.6 -0.313 -0.262938564026647 -0.506426821374098 -1.2402 -0.7378 1466123 Maybridge4_004131 Clc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L18 compound treatment -0.194 -0.0646 -0.09 -0.167 -0.0956 -0.19 -0.026 0.024061435973353 0.0463429797100688 -0.1352 -0.6291 3178173 Maybridge4_004132 CS(=O)(=O)/C(=C/c1cccn1c2ccc(OC(F)(F)F)cc2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L19 compound treatment -0.322 -0.193 -0.27 0.203 0.274 0.54 0.209 0.259061435973353 0.498959367357383 0.4428 0.5635 3064779 Maybridge4_004133 Clc1ccc(C(=O)n2cc3COCCc3n2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L20 compound treatment -3.898 -3.77 -5.36 -3.603 -3.53 -6.97 -4.297 -4.24693856402665 -8.17971911238218 -11.842 -0.986 3178174 Maybridge4_004134 CC(C)(C)c1cc(n(n1)c2ccc(cc2)C(=O)NN)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L21 compound treatment -0.16 -0.0306 -0.04 -0.747 -0.676 -1.33 -0.158 -0.107938564026647 -0.207892608245018 -0.9153 -0.6776 3064780 Maybridge4_004135 OC(=O)CCc1ccc(Cl)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L22 compound treatment -1.327 -1.2 -1.7 -0.563 -0.492 -0.97 -1.343 -1.29293856402665 -2.49023481829637 -2.9812 -0.9407 1339700 Maybridge4_004136 Cc1onc(c1c2nc(CSc3nc4ccccc4[nH]3)no2)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L23 mock treatment 0.566 0.695 0.99 0.05 0.121 0.24 -0.13 -0.079938564026647 -0.153963847163636 0.6204 0.6029 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 L24 mock treatment 0.186 0.315 0.45 0.113 0.184 0.36 0.031 0.081061435973353 0.156126529054311 0.5593 0.9346 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M01 compound treatment -0.846 -0.717 -1.02 -0.133 -0.0616 -0.12 0.0 0.050061435973353 0.096419686428495 -0.6027 -0.5849 3178175 Maybridge4_004137 CCc1ccc(cc1)S(=O)(=O)NC2CCCCNC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M02 compound treatment 0.19 0.319 0.45 -0.172 -0.101 -0.2 0.124 0.174061435973353 0.335247056931759 0.3411 0.5701 3064835 Maybridge4_004138 CC/1Sc2ccc(Cl)cc2C(=O)\C1=C\N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M03 compound treatment -0.085 0.0444 0.06 0.291 0.362 0.72 0.407 0.457061435973353 0.880312749290013 0.9579 0.843 3178176 Maybridge4_004139 O=S(=O)(N(Cc1ccccn1)Cc2ccccn2)c3ccc(nc3)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M04 compound treatment -0.392 -0.263 -0.37 -0.439 -0.368 -0.73 -0.351 -0.300938564026647 -0.579615854270259 -0.9692 -0.9682 3064836 Maybridge4_004140 Cn1cnnc1SCc2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M05 compound treatment -0.262 -0.133 -0.19 0.179 0.25 0.49 -0.293 -0.242938564026647 -0.467906277744539 -0.0935 -0.1323 3178177 Maybridge4_004141 O=C(N1CCCCCC1)c2ccc(nc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M06 compound treatment -0.571 -0.442 -0.63 -0.169 -0.0976 -0.19 -0.126 -0.075938564026647 -0.146259738437724 -0.5581 -0.8296 3064837 Maybridge4_004142 COC(=O)c1cc(C)cc(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M07 compound treatment -0.368 -0.239 -0.34 0.357 0.428 0.85 0.141 0.191061435973353 0.367989519016883 0.505 0.5138 3064839 Maybridge4_004143 Fc1ccc(cc1F)S(=O)(=O)NCc2ccc3OCCc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M08 compound treatment -0.354 -0.225 -0.32 -0.065 0.00644 0.01 0.01 0.060061435973353 0.115679958243274 -0.1102 -0.3243 1167482 Maybridge4_004144 Cc1nc(C)c(o1)c2ccnc(n2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M09 compound treatment 0.187 0.316 0.45 -0.155 -0.0836 -0.16 -0.36 -0.309938564026647 -0.59695009890356 -0.1802 -0.2354 3178178 Maybridge4_004145 CN(C)c1ccc(cc1)C(=O)NCc2nn(nc2C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M10 compound treatment 0.153 0.282 0.4 -0.271 -0.2 -0.39 0.087 0.137061435973353 0.263984051217075 0.1567 0.2522 1335790 Maybridge4_004146 CN(C)c1c(F)cc(cc1F)C(=O)NC(=O)NCc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M11 compound treatment -0.114 0.0154 0.02 -0.862 -0.791 -1.56 -0.763 -0.712938564026647 -1.37313905303917 -1.6814 -0.8087 3178179 Maybridge4_004147 COc1ccc(OC)c(c1)S(=O)(=O)NCc2nn(nc2C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M12 compound treatment 0.134 0.263 0.37 0.065 0.136 0.27 0.029 0.079061435973353 0.152274474691355 0.4597 0.9462 3064841 Maybridge4_004148 CN(C)c1c(/C=C(/C#N)\S(=O)(=O)C)cc(/C=C(/C#N)\S(=O)(=O)C)c(N(C)C)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M13 compound treatment -1.426 -1.3 -1.84 -0.433 -0.362 -0.71 -0.158 -0.107938564026647 -0.207892608245018 -1.5965 -0.8032 3178180 Maybridge4_004149 CSc1nsc(SC)c1C(=O)NC(=O)N2CCSCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M14 compound treatment -0.62 -0.491 -0.7 -0.017 0.0544 0.11 0.331 0.381061435973353 0.73393468349769 0.0831 0.0816 1166894 Maybridge4_004150 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)N3CCSCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M15 compound treatment 0.091 0.22 0.31 0.25 0.321 0.63 0.616 0.666061435973353 1.2828524302189 1.288 0.8791 3064844 Maybridge4_004151 COC(=O)c1sc(cc1CS(=O)(=O)c2cc(C)c(Cl)cc2C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M16 compound treatment -0.778 -0.649 -0.92 -0.349 -0.278 -0.55 -0.716 -0.665938564026647 -1.2826157755097 -1.5893 -0.9505 3178181 Maybridge4_004152 Sc1nccc(n1)c2ccc(s2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M17 compound treatment 0.471 0.6 0.85 -0.338 -0.267 -0.53 -0.237 -0.186938564026647 -0.360048755581775 -0.0189 -0.0177 1462127 Maybridge4_004153 Fc1ccc(C(=O)Nc2ccc(cc2)c3cnco3)c(F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M18 compound treatment -0.378 -0.249 -0.35 -0.07 0.00144 0.0 -0.105 -0.054938564026647 -0.105813167626688 -0.2635 -0.7142 3178182 Maybridge4_004154 Cc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M19 compound treatment -0.211 -0.0816 -0.12 -0.163 -0.0916 -0.18 0.056 0.106061435973353 0.204277208591259 -0.0534 -0.1802 1245747 Maybridge4_004155 Clc1ccc(cc1)C2=NCCc3sccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M20 compound treatment -0.46 -0.331 -0.47 -1.826 -1.75 -3.46 -0.504 -0.453938564026647 -0.874298013036383 -2.7763 -0.7704 3178183 Maybridge4_004156 Clc1ccc(OCc2ccsc2Cn3cccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M21 compound treatment -0.096 0.0334 0.05 -0.063 0.00844 0.02 0.093 0.143061435973353 0.275540214305943 0.1961 0.7002 1431141 Maybridge4_004157 CCCC1N(CCc2sccc12)C(=O)c3cc(OC)cc(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M22 compound treatment 0.239 0.368 0.52 -0.233 -0.162 -0.32 0.202 0.252061435973353 0.485477177087037 0.3985 0.5095 3178184 Maybridge4_004158 Clc1ccc(SC(=O)c2ccc(s2)c3cccs3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M23 mock treatment -0.485 -0.356 -0.51 0.018 0.0894 0.18 0.192 0.242061435973353 0.466216905272258 0.0792 0.1116 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 M24 mock treatment -0.103 0.0264 0.04 0.034 0.105 0.21 0.162 0.212061435973353 0.40843608982792 0.3777 0.8211 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N01 compound treatment -1.269 -1.14 -1.62 -0.324 -0.253 -0.5 0.0 0.050061435973353 0.096419686428495 -1.1677 -0.6877 3064890 Maybridge4_004159 C/C(=N\O)/c1cc(c(s1)C(F)(F)F)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N02 compound treatment -1.312 -1.18 -1.68 -0.955 -0.884 -1.74 -0.266 -0.215938564026647 -0.415903543844635 -2.2181 -0.9023 3178185 Maybridge4_004160 CC(C)(C)c1csc(n1)c2ccc(s2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N03 compound treatment -0.41 -0.281 -0.4 0.115 0.186 0.37 0.313 0.363061435973353 0.699266194231088 0.3859 0.436 3064891 Maybridge4_004161 FC(F)(F)c1sc(COC(=O)Nc2ccccc2)cc1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N04 compound treatment 1.0 1.13 1.61 0.596 0.667 1.32 0.015 0.065061435973353 0.125310094150664 1.7603 0.8459 3178186 Maybridge4_004162 FC(F)(F)c1ccc(Cl)c(c1)c2ccc(o2)C(C3C(=O)CCCC3=O)C4C(=O)CCCC4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N05 compound treatment 0.183 0.312 0.44 0.373 0.444 0.88 0.274 0.324061435973353 0.624151134153448 1.1235 0.9644 3064893 Maybridge4_004163 COc1ccc(SCc2cc3c(F)c(F)c(F)c(F)c3o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N06 compound treatment 0.115 0.244 0.35 0.0 0.0714 0.14 0.041 0.091061435973353 0.17538680086909 0.3833 0.9259 3178187 Maybridge4_004164 Cc1noc(C)c1C(=O)n2cc3CSc4ccc(F)cc4-c3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N07 compound treatment -0.361 -0.232 -0.33 -0.211 -0.14 -0.28 -0.333 -0.282938564026647 -0.544947365003656 -0.6638 -0.9568 3064894 Maybridge4_004165 FC(F)(F)/C(=C(\C#N)/c1ccccc1)/Oc2ccc(C#N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N08 compound treatment 0.099 0.228 0.32 -0.034 0.0374 0.07 0.195 0.245061435973353 0.471994986816692 0.5027 0.8702 3178188 Maybridge4_004166 Cc1oc(N)c(c1C)S(=O)(=O)/C(=C/c2cc(Cl)cc(Cl)c2)/C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N09 compound treatment 0.402 0.531 0.76 0.015 0.0864 0.17 0.437 0.487061435973353 0.938093564734351 1.0764 0.8848 3178189 Maybridge4_004167 CCOC(=O)c1ccc2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/CCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N10 compound treatment -0.315 -0.186 -0.26 -0.697 -0.626 -1.24 -0.137 -0.086938564026647 -0.167446037433982 -0.9622 -0.7552 1967416 Maybridge4_004168 OC(=O)CCC(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N11 compound treatment -0.106 0.0234 0.03 0.0 0.0714 0.14 0.014 0.064061435973353 0.123384066969186 0.1719 0.9031 3064896 Maybridge4_004169 Clc1ccc(SCc2csc(n2)c3ccsc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N12 compound treatment -0.016 0.113 0.16 -0.187 -0.116 -0.23 0.029 0.079061435973353 0.152274474691355 0.0493 0.1548 3178190 Maybridge4_004170 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccc(NC(=O)/C=C/c4ccccc4)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N13 compound treatment -0.277 -0.148 -0.21 -0.556 -0.485 -0.96 0.25 0.300061435973353 0.577926481797978 -0.3399 -0.2988 3064897 Maybridge4_004171 CN(C)/C=N/C(=S)N1CCOCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N14 compound treatment -0.328 -0.199 -0.28 -0.091 -0.0196 -0.04 0.195 0.245061435973353 0.471994986816692 0.0872 0.1581 3178191 Maybridge4_004172 OC(=O)C1C(C2CC1C=C2)C(=O)N3CCc4c([nH]c5ccccc45)C3C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N15 compound treatment 0.19 0.319 0.45 0.25 0.321 0.63 0.104 0.154061435973353 0.2967265133022 0.7999 0.9581 1192815 Maybridge4_004173 O=C(NC(=S)Nc1ccncc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N16 compound treatment -0.464 -0.335 -0.48 -0.14 -0.0686 -0.14 -0.113 -0.062938564026647 -0.121221385078511 -0.4228 -0.8303 3064898 Maybridge4_004174 CS(=O)(=O)N1CCN(CC1)c2ncccc2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N17 compound treatment -0.397 -0.268 -0.38 -0.016 0.0554 0.11 -0.061 -0.010938564026647 -0.0210679716416588 -0.1686 -0.4253 1131475 Maybridge4_004175 Clc1ccc(NC(=O)N2CCC(CC2)C(=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N18 compound treatment 0.365 0.494 0.7 0.197 0.268 0.53 0.301 0.351061435973353 0.676153868053352 1.1022 0.9929 1346023 Maybridge4_004176 Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc2ccc(cc2)c3csnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N19 compound treatment -0.115 0.0144 0.02 -0.578 -0.507 -1.0 0.091 0.141061435973353 0.271688159942987 -0.4088 -0.3943 3178192 Maybridge4_004177 S=C(SCc1ncon1)N2CCSCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N20 compound treatment -0.015 0.114 0.16 0.241 0.312 0.62 -0.312 -0.261938564026647 -0.50450079419262 0.1588 0.1953 3178193 Maybridge4_004178 Cc1ccc(C)n1CCSCc2c(C)cc(C)cc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N21 compound treatment 0.365 0.494 0.7 0.131 0.202 0.4 0.088 0.138061435973353 0.265910078398553 0.7901 0.9282 1202142 Maybridge4_004179 CCOC(=O)c1c(C)nn(c1C)c2ncccc2NC(=O)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N22 compound treatment 0.023 0.152 0.22 -0.463 -0.392 -0.77 -0.089 -0.038938564026647 -0.0749967327230409 -0.3646 -0.4521 1591050 Maybridge4_004180 CCOC(=O)c1[nH]c2ccc(cc2c1CCC(=O)O)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N23 mock treatment -0.23 -0.101 -0.14 0.081 0.152 0.3 0.097 0.147061435973353 0.283244323031854 0.2547 0.5825 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 N24 mock treatment -0.066 0.0634 0.09 0.0 0.0714 0.14 0.042 0.092061435973353 0.177312828050568 0.2359 0.9672 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O01 compound treatment -0.481 -0.352 -0.5 -0.157 -0.0856 -0.17 0.061 0.111061435973353 0.213907344498649 -0.2626 -0.4613 3178270 Maybridge4_004181 COc1cc2CCN(Cc2cc1OC)C(=O)c3sc(nc3C)c4cnccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O02 compound treatment -1.253 -1.12 -1.6 -1.1 -1.03 -2.03 -0.587 -0.536938564026647 -1.03415826909905 -2.6919 -0.9672 1317839 Maybridge4_004182 CC(C)(C)c1ccc(s1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O03 compound treatment -0.145 -0.0156 -0.02 0.286 0.357 0.71 0.364 0.414061435973353 0.797493580486462 0.8551 0.8028 3064900 Maybridge4_004183 COc1ccc(cc1)n2ncc(C(=O)Nc3ccc4nccnc4c3)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O04 compound treatment -0.018 0.111 0.16 0.203 0.274 0.54 0.259 0.309061435973353 0.595260726431279 0.748 0.9117 3178271 Maybridge4_004184 N/C(=N/O)/c1cnc2SCCn2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O05 compound treatment -0.5 -0.371 -0.53 -0.047 0.0244 0.05 0.256 0.306061435973353 0.589482644886846 0.064 0.0808 3178272 Maybridge4_004185 O=C(N1CCSCC1)c2ccc(nc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O06 compound treatment -0.064 0.0654 0.09 -0.407 -0.336 -0.66 -0.07 -0.019938564026647 -0.0384022162749602 -0.351 -0.5238 3064901 Maybridge4_004186 NC(=S)c1ccc(cc1Cl)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O07 compound treatment -0.44 -0.311 -0.44 -0.437 -0.366 -0.72 -0.5 -0.449938564026647 -0.866593904310471 -1.172 -0.9677 3178273 Maybridge4_004187 O=S(=O)(NCc1ccc(cc1)c2cccs2)c3ccc(nc3)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O08 compound treatment -0.242 -0.113 -0.16 -0.354 -0.283 -0.56 0.026 0.076061435973353 0.146496393146921 -0.33 -0.5512 3064932 Maybridge4_004188 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)C)c(F)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O09 compound treatment -0.197 -0.0676 -0.1 -0.5 -0.429 -0.85 0.033 0.083061435973353 0.159978583417267 -0.4517 -0.5212 3178274 Maybridge4_004189 Cc1nn(nc1CNC(=O)c2cccs2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O10 compound treatment 0.096 0.225 0.32 -0.329 -0.258 -0.51 0.216 0.266061435973353 0.512441557627728 0.1873 0.2371 3178275 Maybridge4_004190 CN(C)c1c(F)cc(cc1F)C(=O)NC(=O)NC2=NCCS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O11 compound treatment 0.273 0.402 0.57 0.081 0.152 0.3 0.014 0.064061435973353 0.123384066969186 0.5753 0.8742 3064933 Maybridge4_004191 Cc1noc(C)c1NC(=O)NCc2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O12 compound treatment 0.059 0.188 0.27 -0.776 -0.705 -1.39 -0.797 -0.746938564026647 -1.43862397720942 -1.4791 -0.7326 3064934 Maybridge4_004192 NNC(=O)c1cc2sccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O13 compound treatment -0.377 -0.248 -0.35 -0.268 -0.197 -0.39 -0.078 -0.027938564026647 -0.0538104337267837 -0.4584 -0.8702 3178276 Maybridge4_004193 CSc1nsc(SC)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O14 compound treatment -0.62 -0.491 -0.7 -1.11 -1.04 -2.05 -0.49 -0.439938564026647 -0.847333632495691 -2.0759 -0.8925 1408005 Maybridge4_004194 COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2csc(c2)S(=O)(=O)Nc3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O15 compound treatment -0.635 -0.506 -0.72 -0.151 -0.0796 -0.16 0.321 0.371061435973353 0.714674411682911 -0.0931 -0.0908 3064936 Maybridge4_004195 COC(=O)c1sc(cc1CS(=O)(=O)c2ccccn2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O16 compound treatment -0.339 -0.21 -0.3 -0.108 -0.0366 -0.07 -0.053 -0.002938564026647 -0.00565975418983537 -0.217 -0.7076 3178277 Maybridge4_004196 COc1ccc(cc1OC)S(=O)(=O)n2nccc2c3ccc(s3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O17 compound treatment -1.222 -1.09 -1.55 -1.063 -0.992 -1.96 -0.314 -0.263938564026647 -0.508352848555576 -2.3207 -0.9099 3064939 Maybridge4_004197 Clc1ccc(NC(=S)Nc2ccc(cc2)c3csnn3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O18 compound treatment -0.185 -0.0556 -0.08 -0.012 0.0594 0.12 0.416 0.466061435973353 0.897646993923315 0.5404 0.5947 3178278 Maybridge4_004198 Clc1cccc(Cl)c1C(=O)NCc2ccc(s2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O19 compound treatment 0.538 0.667 0.95 0.179 0.25 0.49 0.269 0.319061435973353 0.614520998246059 1.1881 0.9629 3064941 Maybridge4_004199 CNC(=S)N1CCc2sccc2C1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O20 compound treatment -0.143 -0.0136 -0.02 -0.229 -0.158 -0.31 -0.099 -0.048938564026647 -0.0942570045378202 -0.2452 -0.7529 3178279 Maybridge4_004200 CS/C(=N\C#N)/NCc1sccc1COc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O21 compound treatment -0.152 -0.0226 -0.03 -0.6 -0.529 -1.04 -0.203 -0.152938564026647 -0.294563831411525 -0.7912 -0.7292 1659450 Maybridge4_004201 O=C(NC(=O)c1ccc(cc1)c2csnn2)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O22 compound treatment 0.043 0.172 0.25 -1.155 -1.08 -2.14 -0.779 -0.728938564026647 -1.40395548794281 -1.9043 -0.7408 3178280 Maybridge4_004202 CN(C)/C=N\C(=S)c1sccc1CSc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O23 mock treatment -0.194 -0.0646 -0.09 0.133 0.204 0.4 0.141 0.191061435973353 0.367989519016883 0.3925 0.7086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 O24 mock treatment 0.236 0.365 0.52 0.083 0.154 0.3 0.125 0.175061435973353 0.337173084113236 0.6707 0.9715 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P01 compound treatment 0.143 0.272 0.39 0.014 0.0854 0.17 0.017 0.067061435973353 0.12916214851362 0.3956 0.8955 1411380 Maybridge4_004203 COC(=O)c1cc(=O)n2ccccc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P02 compound treatment -0.837 -0.708 -1.01 0.156 0.227 0.45 -0.185 -0.134938564026647 -0.259895342144922 -0.4716 -0.4166 3178281 Maybridge4_004204 CN(C)/C=N/C(=S)c1ccc(s1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P03 compound treatment -0.164 -0.0346 -0.05 0.909 0.98 1.94 0.246 0.296061435973353 0.570222373072066 1.4185 0.7027 3178282 Maybridge4_004205 CCOC(=O)c1c(CS(=O)(=O)Cc2ccc(Cl)cc2)oc3c(F)c(F)c(F)c(F)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P04 compound treatment -0.582 -0.453 -0.64 0.233 0.304 0.6 0.373 0.423061435973353 0.814827825119764 0.446 0.3717 1195874 Maybridge4_004206 COc1ccc(CN(Cc2cc(OC)c(OC)c(OC)c2)C(=O)C(C)(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P05 compound treatment -0.333 -0.204 -0.29 0.41 0.481 0.95 0.037 0.087061435973353 0.167682692143178 0.4785 0.4748 3178283 Maybridge4_004207 COC(=O)c1sc(c(c1S(=O)(=O)NC(C)(C)C)c2ccccc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P06 compound treatment -0.333 -0.204 -0.29 -0.269 -0.198 -0.39 -0.287 -0.236938564026647 -0.456350114655671 -0.6558 -0.984 3064943 Maybridge4_004208 OC1=C(C(=O)c2ccccc12)c3cc(Cl)cc(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P07 compound treatment -0.274 -0.145 -0.21 -0.256 -0.185 -0.36 0.0 0.050061435973353 0.096419686428495 -0.2734 -0.6368 3064944 Maybridge4_004209 CSc1ccc(/C=C\2/C(=NN(C)C2=O)C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P08 compound treatment 0.127 0.256 0.36 0.086 0.157 0.31 0.055 0.105061435973353 0.202351181409781 0.5068 0.9744 1179765 Maybridge4_004210 Cc1noc(C)c1NC(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P09 compound treatment 0.036 0.165 0.24 0.919 0.99 1.96 0.505 0.555061435973353 1.06906341307485 1.8821 0.8398 3064945 Maybridge4_004211 FC(F)(F)Oc1ccc(NC(=O)C=C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P10 compound treatment 0.091 0.22 0.31 0.239 0.31 0.61 0.294 0.344061435973353 0.662671677783007 0.9174 0.9601 3178284 Maybridge4_004212 CC(C)(C)SCc1cccc(c1)C(=O)N2CCN(CC2)c3ncccc3C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P11 compound treatment 0.098 0.227 0.32 0.067 0.138 0.27 -0.014 0.036061435973353 0.069455305887804 0.3846 0.8964 3178285 Maybridge4_004213 OC(=O)c1cccnc1C(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P12 compound treatment 0.035 0.164 0.23 0.069 0.14 0.28 0.167 0.217061435973353 0.41806622573531 0.5364 0.9692 3178286 Maybridge4_004214 O/N=C/c1ccc(Cl)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P13 compound treatment -0.513 -0.384 -0.55 0.013 0.0844 0.17 0.145 0.195061435973353 0.375693627742795 -0.0017 -0.0025 3178287 Maybridge4_004215 CC(C)(C)NC(=O)N1CCN(CC1)c2cc(ccn2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P14 compound treatment 0.167 0.296 0.42 0.664 0.735 1.45 0.315 0.365061435973353 0.703118248594043 1.4876 0.8921 3064989 Maybridge4_004216 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=S)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P15 compound treatment -0.642 -0.513 -0.73 -0.621 -0.55 -1.09 -0.286 -0.235938564026647 -0.454424087474193 -1.3096 -0.9463 3178288 Maybridge4_004217 CN(C(=S)NC(=O)c1ccccc1)c2ccc(OC(F)(F)F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P16 compound treatment -1.776 -1.65 -2.34 -2.0 -1.93 -3.81 -1.284 -1.23393856402665 -2.37659921458917 -4.9223 -0.9723 3064991 Maybridge4_004218 FC(F)(F)c1ccc(nc1)N2CCN(CC2)C(=O)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P17 compound treatment -0.774 -0.645 -0.92 -0.311 -0.24 -0.47 0.864 0.914061435973353 1.76050717122543 0.2142 0.105 3178289 Maybridge4_004219 Cc1cc(C)n(n1)c2ccc(cc2)n3cccc3/C=C(/C#N)\S(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P18 compound treatment -0.182 -0.0526 -0.07 -0.694 -0.623 -1.23 0.074 0.124061435973353 0.238945697857862 -0.6149 -0.4902 3178290 Maybridge4_004220 OC(=O)CCCC(=O)Nc1ccccc1SCc2noc(n2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P19 compound treatment 0.014 0.143 0.2 -0.095 -0.0236 -0.05 -0.014 0.036061435973353 0.069455305887804 0.131 0.5943 1467411 Maybridge4_004221 Fc1ccc(CSC(=S)N2CCN(CC2)C(=S)SCc3ccc(F)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P20 compound treatment 1.105 1.23 1.67 -0.08 -0.00856 -0.02 -0.086 -0.035938564026647 -0.0692186511786071 0.915 0.5471 3064993 Maybridge4_004222 CC(C)n1nc(cc1C(C)(C)C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P21 compound treatment -0.388 -0.259 -0.37 -1.037 -0.966 -1.91 -1.307 -1.25693856402665 -2.42089783976316 -2.7107 -0.8735 3178291 Maybridge4_004223 Cn1nc(c(c1N2C(=O)C3C4CC(C=C4)C3C2=O)c5ccccc5)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P22 compound treatment -0.25 -0.121 -0.17 -0.086 -0.0146 -0.03 -0.603 -0.552938564026647 -1.0649747040027 -0.7305 -0.6769 3178292 Maybridge4_004224 COC(=O)c1cc(/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)cn1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P23 mock treatment -0.031 0.0984 0.14 -0.04 0.0314 0.06 -0.042 0.00806143597335299 0.0155265448064219 0.1256 0.8163 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2060 P24 mock treatment 0.172 0.301 0.43 0.054 0.125 0.25 0.151 0.201061435973353 0.387249790831663 0.614 0.977 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A01 compound treatment -0.768 -0.639 -0.91 -0.155 -0.0836 -0.16 -1.742 -1.69193856402665 -3.25871966370606 -2.5009 -0.7384 3178890 Maybridge4_004577 CC(C)(C)c1ccc(SC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A02 compound treatment -0.742 -0.613 -0.87 -0.283 -0.212 -0.42 0.104 0.154061435973353 0.2967265133022 -0.5727 -0.5668 1333720 Maybridge4_004578 COc1ccc(OCc2ncc(s2)c3ccc4OCCCOc4c3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A03 compound treatment -0.397 -0.268 -0.38 -0.412 -0.341 -0.67 -0.13 -0.079938564026647 -0.153963847163636 -0.6968 -0.8845 1593366 Maybridge4_004579 Cc1nn(c(N)c1c2nc(cs2)c3ccccc3)c4cc(Cl)ccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A04 compound treatment -0.219 -0.0896 -0.13 -0.194 -0.123 -0.24 -0.5 -0.449938564026647 -0.866593904310471 -0.7136 -0.7853 3178891 Maybridge4_004580 Cc1ccc(cc1F)c2nc(cs2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A05 compound treatment -0.143 -0.0136 -0.02 0.236 0.307 0.61 -0.478 -0.427938564026647 -0.824221306317956 -0.1365 -0.1334 3065742 Maybridge4_004581 FC(F)(F)Oc1ccc(cc1)C(=O)Nc2ccc(nc2)N3CCC(CC3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A06 compound treatment -0.134 -0.00459 -0.01 -0.064 0.00744 0.01 -0.215 -0.164938564026647 -0.31767615758926 -0.1787 -0.5618 3178892 Maybridge4_004582 Cc1c(C#N)c(SCc2cccc(c2)C(F)(F)F)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A07 compound treatment -0.067 0.0624 0.09 0.0 0.0714 0.14 -0.009 0.041061435973353 0.0790854417951936 0.1783 0.9668 3178893 Maybridge4_004583 CCOC(=O)c1cc(C#N)c(Sc2ccc(C)cc2)nc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A08 compound treatment 0.231 0.36 0.51 -0.271 -0.2 -0.39 0.34 0.390061435973353 0.751268928130992 0.5021 0.5066 3065743 Maybridge4_004584 Cn1nc(c2cccc(c2)C3OCCO3)c(=O)n(C)c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A09 compound treatment 0.286 0.415 0.59 0.0 0.0714 0.14 0.117 0.167061435973353 0.321764866661413 0.6082 0.885 3178894 Maybridge4_004585 Cc1nc(cs1)C(=N)NC(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A10 compound treatment -0.025 0.104 0.15 -0.603 -0.532 -1.05 -0.48 -0.429938564026647 -0.828073360680912 -0.9984 -0.7422 3065744 Maybridge4_004586 CC1=N/C(=C\c2sccc2C)/C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A11 compound treatment 0.875 1.0 1.43 -0.035 0.0364 0.07 -0.156 -0.105938564026647 -0.204040553882062 0.7482 0.518 1220314 Maybridge4_004587 Cc1cc(C)n(Cc2ccccc2)c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A12 compound treatment -0.041 0.0884 0.13 -0.517 -0.446 -0.88 -0.649 -0.598938564026647 -1.15357195435068 -1.1014 -0.7563 3178895 Maybridge4_004588 Cc1ccccc1c2nnc(o2)c3cc(nn3Cc4ccc(F)cc4)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A13 compound treatment -0.299 -0.17 -0.24 0.069 0.14 0.28 -0.133 -0.082938564026647 -0.15974192870807 -0.0713 -0.178 3178896 Maybridge4_004589 FC(F)(F)COc1ccc(cn1)c2nnc(SCc3ccccc3C(F)(F)F)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A14 compound treatment -1.708 -1.58 -2.24 -1.758 -1.69 -3.33 -0.534 -0.483938564026647 -0.932078828480721 -3.7566 -0.9112 3065746 Maybridge4_004590 CN(C)/C=C/C(=O)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A15 compound treatment 0.439 0.568 0.81 0.218 0.289 0.57 0.397 0.447061435973353 0.861052477475234 1.2937 0.9861 3178897 Maybridge4_004591 CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N2CCN(CC2)C(=O)c3snnc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A16 compound treatment -0.714 -0.585 -0.83 -0.328 -0.257 -0.51 -0.532 -0.481938564026647 -0.928226774117765 -1.3083 -0.9727 3065747 Maybridge4_004592 CC1CCCCN1C(=S)Nc2cccc(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A17 compound treatment -0.089 0.0404 0.06 -0.124 -0.0526 -0.1 -1.287 -1.23693856402665 -2.3823772961336 -1.4022 -0.5879 3178898 Maybridge4_004593 FC(F)(F)c1ccc(nc1)c2nnc(c3ccccn3)c(n2)c4ccccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A18 compound treatment -0.899 -0.77 -1.09 -1.687 -1.62 -3.19 -0.863 -0.812938564026647 -1.56574177118696 -3.3774 -0.9084 3065748 Maybridge4_004594 CC(C)n1c(=S)[nH]c2cc(ccc12)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A19 compound treatment -1.014 -0.885 -1.26 -1.886 -1.81 -3.58 -0.348 -0.297938564026647 -0.573837772725825 -3.126 -0.814 3178899 Maybridge4_004595 COc1ccc(OCC(=N)NC(=S)Nc2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A20 compound treatment 0.013 0.142 0.2 -0.44 -0.369 -0.73 0.128 0.178061435973353 0.34295116565767 -0.1053 -0.1269 3065749 Maybridge4_004596 Clc1ccc(NC(=C(C#N)C#N)NC(=O)c2ccccc2Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A21 compound treatment 0.309 0.438 0.62 0.035 0.106 0.21 0.115 0.165061435973353 0.317912812298457 0.6648 0.9099 3178900 Maybridge4_004597 FC(F)(F)c1cc(nc(Sc2ccccc2NC(=O)c3cccs3)c1C#N)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A22 mock treatment 0.481 0.61 0.87 0.09 0.161 0.32 0.366 0.416061435973353 0.801345634849418 1.1478 0.9381 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A23 mock treatment 0.155 0.284 0.4 -0.042 0.0294 0.06 -0.093 -0.042938564026647 -0.0827008414489526 0.2193 0.5261 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 A24 mock treatment -0.289 -0.16 -0.23 -0.032 0.0394 0.08 0.125 0.175061435973353 0.337173084113236 0.1086 0.2625 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B01 mock treatment -0.052 0.0774 0.11 0.141 0.212 0.42 0.318 0.368061435973353 0.708896330138477 0.715 0.8604 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B02 mock treatment 0.0 0.129 0.18 -0.048 0.0234 0.05 0.041 0.091061435973353 0.17538680086909 0.2342 0.9065 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B03 mock treatment -0.559 -0.43 -0.61 -0.242 -0.171 -0.34 -0.169 -0.118938564026647 -0.229078907241275 -0.6793 -0.9254 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B04 mock treatment -0.107 0.0224 0.03 -0.033 0.0384 0.08 0.238 0.288061435973353 0.554814155620243 0.3825 0.682 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B05 mock treatment 0.048 0.177 0.25 0.052 0.123 0.24 -0.094 -0.043938564026647 -0.0846268686304306 0.2375 0.6582 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B06 mock treatment -0.318 -0.189 -0.27 0.032 0.103 0.2 0.333 0.383061435973353 0.737786737860646 0.3891 0.4797 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B07 mock treatment 0.192 0.321 0.46 0.07 0.141 0.28 0.149 0.199061435973353 0.383397736468707 0.6464 0.9815 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B08 mock treatment 0.179 0.308 0.44 0.018 0.0894 0.18 -0.288 -0.237938564026647 -0.458276141837149 0.0905 0.1375 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B09 mock treatment 0.062 0.191 0.27 0.148 0.219 0.43 0.309 0.359061435973353 0.691562085505176 0.8066 0.9376 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B10 mock treatment 0.053 0.182 0.26 0.111 0.182 0.36 0.131 0.181061435973353 0.348729247202104 0.559 0.9904 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B11 mock treatment -0.013 0.116 0.17 0.016 0.0874 0.17 0.2 0.250061435973353 0.481625122724081 0.4733 0.8802 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B12 mock treatment 0.254 0.383 0.55 -0.013 0.0584 0.12 0.151 0.201061435973353 0.387249790831663 0.6049 0.8915 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B13 mock treatment -0.246 -0.117 -0.17 0.117 0.188 0.37 -0.065 -0.014938564026647 -0.0287720803675706 0.1025 0.251 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B14 mock treatment -0.5 -0.371 -0.53 -0.306 -0.235 -0.46 -0.027 0.023061435973353 0.0444169525285909 -0.546 -0.7767 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B15 mock treatment -0.381 -0.252 -0.36 -0.21 -0.139 -0.27 0.09 0.140061435973353 0.269762132761509 -0.2087 -0.3976 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B16 mock treatment 0.333 0.462 0.66 0.186 0.257 0.51 0.222 0.272061435973353 0.523997720716596 0.9756 0.993 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B17 mock treatment -0.016 0.113 0.16 0.113 0.184 0.36 -0.067 -0.016938564026647 -0.0326241347305264 0.2845 0.712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B18 mock treatment 0.288 0.417 0.59 -0.386 -0.315 -0.62 -0.486 -0.435938564026647 -0.83962952376978 -0.5007 -0.4168 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B19 mock treatment 0.028 0.157 0.22 -0.246 -0.175 -0.34 -0.014 0.036061435973353 0.069455305887804 -0.0297 -0.0712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B20 mock treatment 0.151 0.28 0.4 0.2 0.271 0.54 0.125 0.175061435973353 0.337173084113236 0.7343 0.9813 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B21 mock treatment 0.073 0.202 0.29 0.226 0.297 0.59 0.078 0.128061435973353 0.246649806583774 0.6476 0.9265 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B22 mock treatment 0.382 0.511 0.73 0.07 0.141 0.28 0.421 0.471061435973353 0.907277129830704 1.1049 0.924 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B23 mock treatment 0.402 0.531 0.76 0.109 0.18 0.36 0.082 0.132061435973353 0.254353915309685 0.7888 0.9033 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 B24 mock treatment 0.015 0.144 0.21 0.099 0.17 0.34 0.268 0.318061435973353 0.612594971064581 0.6665 0.9149 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C01 compound treatment -0.415 -0.286 -0.41 0.071 0.142 0.28 0.177 0.227061435973353 0.437326497550089 0.1804 0.2735 3065750 Maybridge4_004598 FC(F)(F)c1cccc(NC(=O)CCn2cccc(c2=O)C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C02 compound treatment -1.255 -1.13 -1.6 -0.394 -0.323 -0.64 -0.263 -0.212938564026647 -0.410125462300201 -1.5285 -0.8633 3178901 Maybridge4_004599 Oc1ccc2c(CSc3ccc(Cl)cc3)cc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C03 compound treatment -0.328 -0.199 -0.28 -0.09 -0.0186 -0.04 -0.121 -0.070938564026647 -0.136629602530335 -0.2631 -0.833 3178902 Maybridge4_004600 CN(CCOC(=O)c1snnc1C)c2ccc(C#N)cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C04 compound treatment -0.911 -0.782 -1.11 -0.562 -0.491 -0.97 -0.579 -0.528938564026647 -1.01875005164723 -1.789 -0.9984 1339676 Maybridge4_004601 Cn1nc(cc1C(=O)Nc2cccnc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C05 compound treatment 0.226 0.355 0.51 0.797 0.868 1.71 0.129 0.179061435973353 0.344877192839148 1.4809 0.8134 3065771 Maybridge4_004602 CCCNC(=O)Nc1ccc(nc1)N2CCC(CC2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C06 compound treatment -0.062 0.0674 0.1 -0.287 -0.216 -0.43 -0.075 -0.024938564026647 -0.0480323521823499 -0.2181 -0.497 1741890 Maybridge4_004603 Cc1cc(C(=O)Nc2ccc(C)cc2)n(Cc3ccc(C)cc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C07 compound treatment 0.333 0.462 0.66 -0.097 -0.0256 -0.05 0.054 0.104061435973353 0.200425154228303 0.4662 0.6764 3065772 Maybridge4_004604 CCOC(=O)c1cc(C#N)c(Nc2ccccc2OC)nc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C08 compound treatment 0.232 0.361 0.51 -0.185 -0.114 -0.22 -0.079 -0.028938564026647 -0.0557364609082616 0.135 0.2397 3065773 Maybridge4_004605 N#Cc1ccc(nc1)N2CCCNCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C09 compound treatment 0.117 0.246 0.35 -0.32 -0.249 -0.49 -0.453 -0.402938564026647 -0.776070626781008 -0.5292 -0.5384 3065774 Maybridge4_004606 Cc1nc(cs1)C(=N)NC(=O)c2ccc(OC(F)(F)F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C10 compound treatment 0.155 0.284 0.4 0.45 0.521 1.03 0.229 0.279061435973353 0.537479910986941 1.1382 0.9255 3065775 Maybridge4_004607 N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C11 compound treatment -0.178 -0.0486 -0.07 -0.312 -0.241 -0.47 -0.256 -0.205938564026647 -0.396643272029856 -0.5431 -0.8723 3065776 Maybridge4_004608 Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1c3ccc(OCC(F)(F)F)nc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C12 compound treatment 0.148 0.277 0.39 -0.403 -0.332 -0.65 -0.424 -0.373938564026647 -0.720215838518148 -0.5661 -0.539 3065777 Maybridge4_004609 Cc1cc(nn1C(C)(C)C)C(=O)Nc2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C13 compound treatment -2.269 -2.14 -3.04 -2.118 -2.05 -4.04 -0.643 -0.592938564026647 -1.14201579126182 -4.7487 -0.9158 3178903 Maybridge4_004610 CSc1nnc(c2cc(OCC(F)(F)F)nc(OCC(F)(F)F)c2)n1Cc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C14 compound treatment -0.647 -0.518 -0.74 -0.682 -0.611 -1.21 -0.297 -0.246938564026647 -0.475610386470451 -1.3955 -0.9364 3065778 Maybridge4_004611 Fc1ccc(SCC(=O)C2(CC3CC4CC(C3)C2)C4)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C15 compound treatment -0.667 -0.538 -0.76 -0.407 -0.336 -0.66 0.079 0.129061435973353 0.248575833765252 -0.6803 -0.6531 3178904 Maybridge4_004612 FC(F)(F)c1ccc(nc1)c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C16 compound treatment -0.463 -0.334 -0.47 -0.079 -0.00756 -0.01 -0.288 -0.237938564026647 -0.458276141837149 -0.547 -0.8292 3065781 Maybridge4_004613 Cc1cccc(NC(=S)N2CCCCC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C17 compound treatment -1.214 -1.08 -1.54 -0.781 -0.71 -1.4 -0.5 -0.449938564026647 -0.866593904310471 -2.1995 -0.9747 3178905 Maybridge4_004614 Fc1cccc(c1)C(=O)CSC2=NNC(S2)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C18 compound treatment -0.059 0.0704 0.1 -0.067 0.00444 0.01 0.537 0.587061435973353 1.13069628288214 0.7157 0.6305 3065782 Maybridge4_004615 Cn1c(SCC=C)ncc1c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C19 compound treatment -0.93 -0.801 -1.14 -2.968 -2.9 -5.72 -1.839 -1.78893856402665 -3.44554430030942 -5.9485 -0.8782 3178906 Maybridge4_004616 Cc1ccc(NC(=S)NC(=N)COc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C20 compound treatment 0.164 0.293 0.42 -1.281 -1.21 -2.39 -0.158 -0.107938564026647 -0.207892608245018 -1.2581 -0.517 3065783 Maybridge4_004617 Sc1nnc(SCC2CC2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C21 compound treatment -0.119 0.0104 0.01 -0.575 -0.504 -0.99 -0.042 0.00806143597335299 0.0155265448064219 -0.5565 -0.5596 1187470 Maybridge4_004618 NC(=S)c1ccc(nc1)n2cncn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C22 mock treatment 0.329 0.458 0.65 0.088 0.159 0.31 0.0 0.050061435973353 0.096419686428495 0.6137 0.8405 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C23 mock treatment 0.173 0.302 0.43 0.242 0.313 0.62 0.462 0.512061435973353 0.9862442442713 1.175 0.9466 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 C24 mock treatment -0.055 0.0744 0.11 -0.42 -0.349 -0.69 -0.541 -0.490938564026647 -0.945561018751066 -0.8822 -0.7513 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D01 mock treatment -0.128 0.00141 0.0 0.176 0.247 0.49 -0.018 0.032061435973353 0.0617511971618922 0.3189 0.6475 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D02 mock treatment 0.341 0.47 0.67 0.33 0.401 0.79 0.075 0.125061435973353 0.24087172503934 0.9828 0.9231 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D03 mock treatment -0.346 -0.217 -0.31 -0.264 -0.193 -0.38 -0.172 -0.121938564026647 -0.234856988785709 -0.5329 -0.9819 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D04 mock treatment -0.788 -0.659 -0.94 -0.866 -0.795 -1.57 -0.062 -0.011938564026647 -0.0229939988231368 -1.4597 -0.7989 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D05 mock treatment 0.518 0.647 0.92 0.519 0.59 1.17 0.19 0.240061435973353 0.462364850909302 1.4715 0.9459 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D06 mock treatment 0.18 0.309 0.44 0.486 0.557 1.1 0.081 0.131061435973353 0.252427888128207 1.0352 0.8542 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D07 mock treatment 0.397 0.526 0.75 -0.062 0.00944 0.02 0.167 0.217061435973353 0.41806622573531 0.6842 0.798 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D08 mock treatment 0.127 0.256 0.36 0.412 0.483 0.95 0.072 0.122061435973353 0.235093643494906 0.8973 0.8558 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D09 mock treatment 0.468 0.597 0.85 0.325 0.396 0.78 0.467 0.517061435973353 0.995874380178689 1.5173 0.9949 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D10 mock treatment 0.333 0.462 0.66 0.457 0.528 1.04 0.409 0.459061435973353 0.884164803652969 1.4925 0.9835 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D11 mock treatment 0.057 0.186 0.27 -0.176 -0.105 -0.21 0.061 0.111061435973353 0.213907344498649 0.1573 0.395 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D12 mock treatment 0.071 0.2 0.28 0.171 0.242 0.48 0.317 0.367061435973353 0.706970302956999 0.8491 0.9433 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D13 mock treatment -0.024 0.105 0.15 0.21 0.281 0.56 0.117 0.167061435973353 0.321764866661413 0.5931 0.8995 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D14 mock treatment -0.022 0.107 0.15 0.427 0.498 0.98 -0.243 -0.192938564026647 -0.371604918670642 0.4418 0.4156 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D15 mock treatment 0.091 0.22 0.31 0.443 0.514 1.02 -0.1 -0.049938564026647 -0.0961830317192982 0.7118 0.6669 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D16 mock treatment -0.035 0.0944 0.13 0.193 0.264 0.52 0.0 0.050061435973353 0.096419686428495 0.4346 0.7936 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D17 mock treatment 0.327 0.456 0.65 0.496 0.567 1.12 0.123 0.173061435973353 0.333321029750281 1.214 0.908 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D18 mock treatment -0.4 -0.271 -0.38 -0.176 -0.105 -0.21 0.0 0.050061435973353 0.096419686428495 -0.2857 -0.6388 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D19 mock treatment 0.241 0.37 0.53 -0.151 -0.0796 -0.16 0.152 0.202061435973353 0.389175818013141 0.438 0.6505 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D20 mock treatment -0.594 -0.465 -0.66 -0.691 -0.62 -1.22 -0.084 -0.033938564026647 -0.0653665968156513 -1.1254 -0.8086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D21 mock treatment -0.013 0.116 0.17 0.165 0.236 0.47 -0.516 -0.465938564026647 -0.897410339214118 -0.153 -0.1493 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D22 mock treatment -0.114 0.0154 0.02 0.315 0.386 0.76 -0.075 -0.024938564026647 -0.0480323521823499 0.4255 0.5563 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D23 mock treatment -0.054 0.0754 0.11 -0.013 0.0584 0.12 0.061 0.111061435973353 0.213907344498649 0.252 0.9487 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 D24 mock treatment 0.111 0.24 0.34 0.052 0.123 0.24 0.0 0.050061435973353 0.096419686428495 0.3937 0.9141 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E01 compound treatment -0.359 -0.23 -0.33 -0.091 -0.0196 -0.04 0.224 0.274061435973353 0.527849775079552 0.094 0.1512 3178907 Maybridge4_004619 FC(F)(F)c1cccn(CCC(=O)Sc2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E02 compound treatment -1.157 -1.03 -1.46 -0.542 -0.471 -0.93 -0.262 -0.211938564026647 -0.408199435118723 -1.6156 -0.9082 1539590 Maybridge4_004620 Oc1ccc2c(CSc3ccccn3)cc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E03 compound treatment -1.065 -0.936 -1.33 -0.519 -0.448 -0.88 -0.505 -0.454938564026647 -0.87622404021786 -1.7841 -0.9794 3178908 Maybridge4_004621 NC(=S)c1ccc(nc1)N2CCC(CC2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E04 compound treatment -0.527 -0.398 -0.57 -0.139 -0.0676 -0.13 0.15 0.200061435973353 0.385323763650185 -0.1809 -0.2596 3178909 Maybridge4_004622 Cc1cccc(Cl)c1OC(=O)c2cc(nn2C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E05 compound treatment -1.138 -1.01 -1.43 -0.929 -0.858 -1.69 -0.229 -0.178938564026647 -0.344640538129951 -2.0045 -0.8927 3065784 Maybridge4_004623 OC(=O)CCn1cc(ccc1=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E06 compound treatment -0.527 -0.398 -0.57 -0.216 -0.145 -0.29 -0.161 -0.110938564026647 -0.213670689789452 -0.6145 -0.9195 1605604 Maybridge4_004624 Cc1cc(C(=O)Sc2ccccc2)n(Cc3ccc(C)cc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E07 compound treatment -0.282 -0.153 -0.22 -0.276 -0.205 -0.4 -0.326 -0.275938564026647 -0.531465174733311 -0.6653 -0.9478 3065785 Maybridge4_004625 FC(F)(F)c1cccn(Cc2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E08 compound treatment 0.136 0.265 0.38 -0.667 -0.596 -1.18 -0.289 -0.238938564026647 -0.460202169018627 -0.7268 -0.5514 3178983 Maybridge4_004626 O=c1[nH]nc(SCc2ccccc2)n1c3ccc(OCc4ccccc4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E09 compound treatment 0.101 0.23 0.33 0.089 0.16 0.32 -0.464 -0.413938564026647 -0.797256925777265 -0.0883 -0.0961 3065786 Maybridge4_004627 Cn1c(S)nnc1Cn2cc(ccc2=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E10 compound treatment -1.937 -1.81 -2.57 -0.917 -0.846 -1.67 -1.57 -1.51993856402665 -2.92744298849186 -4.1379 -0.9763 3178984 Maybridge4_004628 CC(=O)N/C(=C/c1ccc(Cl)c(Cl)c1)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E11 compound treatment 0.063 0.192 0.27 -0.642 -0.571 -1.13 -0.092 -0.041938564026647 -0.0807748142674747 -0.5391 -0.4639 3065787 Maybridge4_004629 Cn1c(SCc2ccc(cc2)C(F)(F)F)nnc1c3ccc(OCC(F)(F)F)nc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E12 compound treatment -0.056 0.0734 0.1 -0.655 -0.584 -1.15 -1.0 -0.949938564026647 -1.82960749504944 -1.6613 -0.7674 3178985 Maybridge4_004630 Clc1ccc(cc1)c2nnc(SCC3CC3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E13 compound treatment -0.051 0.0784 0.11 0.526 0.597 1.18 0.257 0.307061435973353 0.591408672068323 1.0869 0.8207 3178986 Maybridge4_004631 Cc1ccccc1NC(=O)c2cccc(Cn3cc(ccc3=O)C(F)(F)F)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E14 compound treatment -1.145 -1.02 -1.44 -0.628 -0.557 -1.1 0.013 0.063061435973353 0.121458039787708 -1.398 -0.7687 1516971 Maybridge4_004632 Cc1ccc(cc1)C(=O)CSc2nnc(o2)c3cc(nn3Cc4cccc(C)c4)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E15 compound treatment -3.114 -2.98 -4.24 -3.21 -3.14 -6.2 -2.768 -2.71793856402665 -5.23482355190242 -9.0502 -0.9885 3178987 Maybridge4_004633 NNC(=N)c1ccc(cn1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E16 compound treatment -0.465 -0.336 -0.48 -1.0 -0.929 -1.83 -0.255 -0.204938564026647 -0.394717244848378 -1.5619 -0.8071 3065788 Maybridge4_004634 CC(C)N(CCC#N)CN1C(=O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E17 compound treatment -0.226 -0.0966 -0.14 -0.716 -0.645 -1.27 0.619 0.669061435973353 1.28863051176333 -0.0701 -0.0386 3065812 Maybridge4_004635 CC(C)c1ccc(NC(=O)CSC2=NNC(S2)c3ccccn3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E18 compound treatment -0.548 -0.419 -0.6 -0.36 -0.289 -0.57 -0.235 -0.184938564026647 -0.356196701218819 -0.8782 -0.9784 3065813 Maybridge4_004636 Clc1ccc(N/C(=N\C#N)/Oc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E19 compound treatment -0.561 -0.432 -0.61 0.061 0.132 0.26 0.025 0.075061435973353 0.144570365965443 -0.1198 -0.1756 1232015 Maybridge4_004637 Sc1nc2CCCCc2c(c3cccs3)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E20 compound treatment -0.462 -0.333 -0.47 -0.529 -0.458 -0.9 -0.506 -0.455938564026647 -0.878150067399338 -1.3016 -0.9672 3065814 Maybridge4_004638 CC(Sc1ccc(C)cc1)C(=O)c2ccc(C)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E21 compound treatment 0.182 0.311 0.44 -0.109 -0.0376 -0.07 -0.157 -0.106938564026647 -0.20596658106354 0.0939 0.1901 3065815 Maybridge4_004639 CCOC(=O)c1nc(C)nc(Sc2nnc([nH]2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E22 mock treatment 0.085 0.214 0.3 0.156 0.227 0.45 0.299 0.349061435973353 0.672301813690397 0.8234 0.953 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E23 mock treatment -0.966 -0.837 -1.19 0.2 0.271 0.54 0.027 0.077061435973353 0.148422420328399 -0.2916 -0.2221 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 E24 mock treatment -0.814 -0.685 -0.97 0.037 0.108 0.21 0.058 0.108061435973353 0.208129262954215 -0.3182 -0.3125 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F01 mock treatment -0.042 0.0874 0.12 0.183 0.254 0.5 0.2 0.250061435973353 0.481625122724081 0.6399 0.9051 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F02 mock treatment -0.303 -0.174 -0.25 -0.125 -0.0536 -0.11 0.11 0.160061435973353 0.308282676391067 -0.0256 -0.0625 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F03 mock treatment -0.115 0.0144 0.02 -0.12 -0.0486 -0.1 0.092 0.142061435973353 0.273614187124465 0.1144 0.3937 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F04 mock treatment 0.415 0.544 0.77 0.267 0.338 0.67 0.38 0.430061435973353 0.828310015390109 1.3109 0.9962 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F05 mock treatment -0.266 -0.137 -0.19 -0.153 -0.0816 -0.16 0.213 0.263061435973353 0.506663476083294 0.0874 0.1545 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F06 mock treatment 0.49 0.619 0.88 0.333 0.404 0.8 0.488 0.538061435973353 1.03632095098973 1.5678 0.9941 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F07 mock treatment -0.318 -0.189 -0.27 -0.109 -0.0376 -0.07 -0.013 0.037061435973353 0.0713813330692819 -0.1564 -0.5446 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F08 mock treatment 0.458 0.587 0.84 0.167 0.238 0.47 0.479 0.529061435973353 1.01898670635642 1.3423 0.9594 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F09 mock treatment 0.573 0.702 1.0 0.164 0.235 0.46 0.286 0.336061435973353 0.647263460331183 1.2187 0.9538 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F10 mock treatment -0.011 0.118 0.17 -0.032 0.0394 0.08 0.554 0.604061435973353 1.16343874496727 0.8139 0.6908 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F11 mock treatment -0.354 -0.225 -0.32 0.972 1.04 2.06 0.108 0.158061435973353 0.304430622028112 1.1809 0.5605 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F12 mock treatment 0.029 0.158 0.23 0.051 0.122 0.24 0.095 0.145061435973353 0.279392268668899 0.4309 0.9959 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F13 mock treatment 0.608 0.737 1.05 0.017 0.0884 0.17 0.061 0.111061435973353 0.213907344498649 0.8296 0.7652 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F14 mock treatment 0.087 0.216 0.31 0.206 0.277 0.55 0.104 0.154061435973353 0.2967265133022 0.6652 0.9574 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F15 mock treatment -0.382 -0.253 -0.36 -0.269 -0.198 -0.39 -0.13 -0.079938564026647 -0.153963847163636 -0.5215 -0.9444 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F16 mock treatment 0.111 0.24 0.34 -0.034 0.0374 0.07 0.25 0.300061435973353 0.577926481797978 0.5737 0.8493 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F17 mock treatment 0.25 0.379 0.54 0.153 0.224 0.44 0.05 0.100061435973353 0.192721045502392 0.6786 0.9369 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F18 mock treatment -0.058 0.0714 0.1 0.03 0.101 0.2 0.321 0.371061435973353 0.714674411682911 0.5869 0.7834 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F19 mock treatment -0.203 -0.0736 -0.1 -0.217 -0.146 -0.29 0.014 0.064061435973353 0.123384066969186 -0.1551 -0.4703 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F20 mock treatment 0.452 0.581 0.83 0.351 0.422 0.83 -0.143 -0.092938564026647 -0.179002200522849 0.8555 0.7202 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F21 mock treatment -0.708 -0.579 -0.82 -0.222 -0.151 -0.3 -0.067 -0.016938564026647 -0.0326241347305264 -0.6654 -0.7602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F22 mock treatment 0.267 0.396 0.56 0.0 0.0714 0.14 0.417 0.467061435973353 0.899573021104793 0.9262 0.8649 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F23 mock treatment 0.122 0.251 0.36 0.577 0.648 1.28 0.029 0.079061435973353 0.152274474691355 1.0335 0.7724 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 F24 mock treatment 0.013 0.142 0.2 -1.23 -1.16 -2.29 -1.192 -1.14193856402665 -2.1994047138932 -2.4737 -0.7779 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G01 compound treatment -0.908 -0.779 -1.11 -0.71 -0.639 -1.26 -0.373 -0.322938564026647 -0.621988452262774 -1.7262 -0.9647 3065816 Maybridge4_004640 Cc1nc(N)nc(CSc2ccccc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G02 compound treatment -0.437 -0.308 -0.44 -0.409 -0.338 -0.67 -0.271 -0.220938564026647 -0.425533679752025 -0.883 -0.9771 3065817 Maybridge4_004641 Oc1ccc2c(CSc3nnc([nH]3)c4cccs4)cc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G03 compound treatment -0.508 -0.379 -0.54 -0.068 0.00344 0.01 -0.056 -0.005938564026647 -0.0114378357342692 -0.3135 -0.5822 1387671 Maybridge4_004642 CN(CCOC(=O)Nc1cccc(Cl)c1)c2ccc(C#N)cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G04 compound treatment -1.649 -1.52 -2.16 0.009 0.0804 0.16 0.072 0.122061435973353 0.235093643494906 -1.0199 -0.4681 1420583 Maybridge4_004643 Clc1ccc(CSc2n[nH]c(=O)n2C3CC4CC3C=C4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G05 compound treatment -0.733 -0.604 -0.86 -0.192 -0.121 -0.24 -0.338 -0.287938564026647 -0.554577500911046 -0.9531 -0.9085 3178988 Maybridge4_004644 COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G06 compound treatment -0.279 -0.15 -0.21 0.357 0.428 0.85 -0.133 -0.082938564026647 -0.15974192870807 0.2734 0.3083 3065818 Maybridge4_004645 Cc1cc(nn1Cc2ccc(C)cc2)C(=O)Sc3cccc(Cl)c3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G07 compound treatment 0.258 0.387 0.55 0.197 0.268 0.53 0.444 0.494061435973353 0.951575755004697 1.1734 0.9614 3178989 Maybridge4_004646 FC(F)(F)c1cccn(CC(=O)c2ccc(Cl)cc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G08 compound treatment 0.091 0.22 0.31 0.397 0.468 0.92 0.286 0.336061435973353 0.647263460331183 1.0886 0.9292 1219573 Maybridge4_004647 CC(C)(C)c1cc(NC(=O)CSc2n[nH]c(=O)n2c3ccc4OCCOc4c3)cc(c1)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G09 compound treatment -0.145 -0.0156 -0.02 0.031 0.102 0.2 0.053 0.103061435973353 0.198499127046825 0.2186 0.769 3065819 Maybridge4_004648 CCOC(=O)c1cnc(nc1Sc2nnc([nH]2)c3cccs3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G10 compound treatment -1.616 -1.49 -2.11 -2.067 -2.0 -3.94 -1.592 -1.54193856402665 -2.96981558648437 -5.2098 -0.9706 1396971 Maybridge4_004649 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c2nnc(S)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G11 compound treatment 0.458 0.587 0.84 0.313 0.384 0.76 -0.014 0.036061435973353 0.069455305887804 0.9605 0.8495 3065820 Maybridge4_004650 CCOC(=O)c1cc(C#N)c(Sc2ccccc2NC(=O)c3ccccc3)nc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G12 compound treatment -0.369 -0.24 -0.34 -0.306 -0.235 -0.46 -0.649 -0.598938564026647 -1.15357195435068 -1.1301 -0.8768 1227698 Maybridge4_004651 Cc1cccc(Cn2nc(cc2C(=O)Nc3cccnc3)C(C)(C)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G13 compound treatment -0.649 -0.52 -0.74 0.323 0.394 0.78 0.508 0.558061435973353 1.07484149461928 0.6437 0.4237 3065822 Maybridge4_004652 FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)C(=O)Sc3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G14 compound treatment -0.471 -0.342 -0.49 -0.109 -0.0376 -0.07 -0.027 0.023061435973353 0.0444169525285909 -0.2976 -0.6032 3178991 Maybridge4_004653 CCOC(=O)C1CCN(CC1)c2nc(c(cc2C#N)C(=O)OCC)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G15 compound treatment -0.426 -0.297 -0.42 -0.266 -0.195 -0.38 -0.221 -0.170938564026647 -0.329232320678128 -0.6553 -0.995 1653461 Maybridge4_004654 CC(=O)N1CCN(CC1)c2nc3ccc(Cl)cc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G16 compound treatment -0.655 -0.526 -0.75 -0.258 -0.187 -0.37 -0.387 -0.336938564026647 -0.648952832803465 -1.0188 -0.9647 3178992 Maybridge4_004655 CC(C)N(CCC#N)C(=S)Nc1c(C)cccc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G17 compound treatment -2.267 -2.14 -3.04 -2.314 -2.24 -4.43 -1.064 -1.01393856402665 -1.95287323466402 -5.4387 -0.9517 3065823 Maybridge4_004656 COC(=N)NC(=S)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G18 compound treatment -2.313 -2.18 -3.1 -1.883 -1.81 -3.58 -1.067 -1.01693856402665 -1.95865131620846 -4.9884 -0.9733 1122990 Maybridge4_004657 CC(C)NC(=O)Nc1nc(Nc2ccc(Cl)cc2)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G19 compound treatment -0.645 -0.516 -0.73 -0.375 -0.304 -0.6 -0.076 -0.025938564026647 -0.0499583793638278 -0.7981 -0.8417 3178993 Maybridge4_004658 N1N=C(NC1c2cccnc2)c3cnccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G20 compound treatment -0.833 -0.704 -1.0 -0.141 -0.0696 -0.14 -0.068 -0.017938564026647 -0.0345501619120044 -0.6768 -0.6699 1235857 Maybridge4_004659 Cc1c(C#N)c(=N)n(nc1C(=O)Nc2ccccc2)c3ccc(cc3)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G21 compound treatment -0.433 -0.304 -0.43 -0.156 -0.0846 -0.17 0.319 0.369061435973353 0.710822357319955 0.0648 0.0764 3178994 Maybridge4_004660 CCOC(=O)c1sc2nc(c(cc2c1NC(=O)C)C(=O)OCC)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G22 mock treatment 0.159 0.288 0.41 -0.042 0.0294 0.06 0.315 0.365061435973353 0.703118248594043 0.6762 0.8287 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G23 mock treatment 0.048 0.177 0.25 -0.014 0.0574 0.11 -0.013 0.037061435973353 0.0713813330692819 0.2523 0.8834 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 G24 mock treatment -0.922 -0.793 -1.13 -0.06 0.0114 0.02 0.097 0.147061435973353 0.283244323031854 -0.474 -0.4079 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H01 mock treatment 0.102 0.231 0.33 0.064 0.135 0.27 0.176 0.226061435973353 0.435400470368611 0.5957 0.9803 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H02 mock treatment -0.413 -0.284 -0.4 0.114 0.185 0.37 0.06 0.110061435973353 0.211981317317171 0.101 0.1728 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H03 mock treatment -0.082 0.0474 0.07 -0.155 -0.0836 -0.16 -0.021 0.029061435973353 0.0559731156174584 -0.024 -0.1286 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H04 mock treatment 0.298 0.427 0.61 0.154 0.225 0.45 -0.035 0.015061435973353 0.0290087350767674 0.6246 0.8286 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H05 mock treatment -0.393 -0.264 -0.37 0.182 0.253 0.5 -0.044 0.006061435973353 0.011674490443466 0.0793 0.1268 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H06 mock treatment -0.064 0.0654 0.09 0.889 0.96 1.9 0.355 0.405061435973353 0.780159335853161 1.599 0.779 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H07 mock treatment -0.217 -0.0876 -0.12 0.574 0.645 1.27 -0.147 -0.096938564026647 -0.186706309248761 0.5561 0.4297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H08 mock treatment -0.2 -0.0706 -0.1 0.221 0.292 0.58 0.135 0.185061435973353 0.356433355928016 0.4812 0.7015 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H09 mock treatment 0.078 0.207 0.29 -0.214 -0.143 -0.28 0.298 0.348061435973353 0.670375786508919 0.3948 0.5032 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H10 mock treatment 0.211 0.34 0.48 -0.207 -0.136 -0.27 0.108 0.158061435973353 0.304430622028112 0.3007 0.4762 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H11 mock treatment -0.103 0.0264 0.04 0.551 0.622 1.23 0.186 0.236061435973353 0.45466074218339 0.9937 0.758 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H12 mock treatment -0.562 -0.433 -0.62 0.085 0.156 0.31 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.1778 -0.2583 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H13 mock treatment 0.228 0.357 0.51 0.225 0.296 0.59 0.079 0.129061435973353 0.248575833765252 0.7748 0.9519 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H14 mock treatment 0.217 0.346 0.49 -0.113 -0.0416 -0.08 0.169 0.219061435973353 0.421918280098265 0.4806 0.7352 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H15 mock treatment 0.313 0.442 0.63 0.268 0.339 0.67 0.297 0.347061435973353 0.668449759327441 1.136 0.9996 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H16 mock treatment 0.127 0.256 0.36 0.138 0.209 0.41 0.15 0.200061435973353 0.385323763650185 0.6717 0.9987 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H17 mock treatment 0.339 0.468 0.67 0.232 0.303 0.6 -0.026 0.024061435973353 0.0463429797100688 0.7572 0.8441 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H18 mock treatment -0.123 0.00641 0.01 0.179 0.25 0.49 0.016 0.066061435973353 0.127236121332142 0.3642 0.7132 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H19 mock treatment 0.197 0.326 0.46 0.114 0.185 0.37 0.138 0.188061435973353 0.36221143747245 0.6885 0.993 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H20 mock treatment 0.033 0.162 0.23 0.044 0.115 0.23 0.264 0.314061435973353 0.604890862338669 0.6141 0.8947 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H21 mock treatment -0.143 -0.0136 -0.02 -0.46 -0.389 -0.77 -0.035 0.015061435973353 0.0290087350767674 -0.4374 -0.5695 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H22 mock treatment -0.035 0.0944 0.13 0.062 0.133 0.26 0.132 0.182061435973353 0.350655274383582 0.4321 0.942 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H23 mock treatment 0.015 0.144 0.21 -0.529 -0.458 -0.9 -0.292 -0.241938564026647 -0.465980250563061 -0.6721 -0.6481 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 H24 mock treatment -0.197 -0.0676 -0.1 0.271 0.342 0.68 -0.206 -0.155938564026647 -0.300341912955959 0.1615 0.2165 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I01 compound treatment -0.07 0.0594 0.08 -0.096 -0.0246 -0.05 -0.283 -0.232938564026647 -0.44864600592976 -0.2383 -0.519 3178995 Maybridge4_004661 FC(F)(F)COc1ccc(cn1)C(=O)NC(=O)NN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I02 compound treatment -0.814 -0.685 -0.97 -0.238 -0.167 -0.33 -0.013 0.037061435973353 0.0713813330692819 -0.7106 -0.69 3065824 Maybridge4_004662 Oc1nnc(SCc2cc(=O)oc3cc(O)ccc23)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I03 compound treatment -0.681 -0.552 -0.78 -0.386 -0.315 -0.62 -0.079 -0.028938564026647 -0.0557364609082616 -0.8436 -0.8419 3178996 Maybridge4_004663 Cc1noc(COc2ccccc2)c1C(=O)Sc3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I04 compound treatment -0.494 -0.365 -0.52 -0.254 -0.183 -0.36 -0.398 -0.347938564026647 -0.670139131799722 -0.8943 -0.9713 3065825 Maybridge4_004664 Cc1c(C#N)c(Sc2ccccc2Cl)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I05 compound treatment -0.605 -0.476 -0.68 0.234 0.305 0.6 -0.304 -0.253938564026647 -0.489092576740796 -0.3246 -0.3152 3178997 Maybridge4_004665 COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc3ccc(Cl)cc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I06 compound treatment -0.493 -0.364 -0.52 -0.196 -0.125 -0.25 0.0 0.050061435973353 0.096419686428495 -0.3848 -0.6628 1622413 Maybridge4_004666 COc1ccc(SC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I07 compound treatment -0.292 -0.163 -0.23 0.08 0.151 0.3 -0.048 0.002061435973353 0.00397038171755429 0.0415 0.1097 3178998 Maybridge4_004667 FC(F)(F)c1ccc(=O)n(CC(=O)c2ccc(C#N)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I08 compound treatment -0.026 0.103 0.15 -0.269 -0.198 -0.39 -0.108 -0.057938564026647 -0.111591249171122 -0.2048 -0.4745 3065827 Maybridge4_004668 CSc1n[nH]c(=O)n1c2ccc3OCCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I09 compound treatment -0.367 -0.238 -0.34 0.055 0.126 0.25 -0.175 -0.124938564026647 -0.240635070330143 -0.1898 -0.3921 3065847 Maybridge4_004669 CCOC(=O)c1cc(C#N)c(Sc2n[nH]c(=O)n2Cc3ccc(cc3)C(F)(F)F)nc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I10 compound treatment -0.505 -0.376 -0.53 -0.253 -0.182 -0.36 -0.833 -0.782938564026647 -1.50796095574262 -1.3859 -0.8454 3065848 Maybridge4_004670 CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C(=O)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I11 compound treatment 0.165 0.294 0.42 -0.313 -0.242 -0.48 0.057 0.107061435973353 0.206203235772737 0.0853 0.1279 3065849 Maybridge4_004671 FC(F)(F)c1ccc(nc1)C(=N)NC(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I12 compound treatment 0.174 0.303 0.43 -0.544 -0.473 -0.93 -0.824 -0.773938564026647 -1.49062671110932 -1.1503 -0.6353 1418931 Maybridge4_004672 Cc1cc(C)c(Cn2nc(cc2C(=O)NN3CCOCC3)C(C)(C)C)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I13 compound treatment -0.072 0.0574 0.08 0.204 0.275 0.54 0.073 0.123061435973353 0.237019670676384 0.498 0.8315 3065850 Maybridge4_004673 FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)C(=O)NC(=N)c3ccc(Cl)cc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I14 compound treatment -0.514 -0.385 -0.55 0.093 0.164 0.32 0.218 0.268061435973353 0.516293611990684 0.1698 0.2073 1208016 Maybridge4_004674 COC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I15 compound treatment -0.506 -0.377 -0.54 -0.242 -0.171 -0.34 -0.012 0.038061435973353 0.0733073602507598 -0.4612 -0.7243 1224162 Maybridge4_004675 CC(C)(C)C(=O)N1CCN(CC1)c2nc3ccc(Cl)cc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I16 compound treatment -0.645 -0.516 -0.73 -0.178 -0.107 -0.21 -0.327 -0.276938564026647 -0.533391201914789 -0.8527 -0.9162 3065852 Maybridge4_004676 CCN(C(=S)Nc1ccc(C)cc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I17 compound treatment -0.373 -0.244 -0.35 0.131 0.202 0.4 -0.442 -0.391938564026647 -0.754884327784751 -0.405 -0.4394 3178999 Maybridge4_004677 Clc1ccc(cc1)c2nnc(Sc3nc(ns3)c4cccs4)[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I18 compound treatment -2.866 -2.74 -3.89 -2.04 -1.97 -3.89 -0.757 -0.706938564026647 -1.3615828899503 -5.2766 -0.9313 3065853 Maybridge4_004678 CCCNC(=O)Nc1nc(Nc2ccc(Cl)cc2)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I19 compound treatment -0.288 -0.159 -0.23 0.319 0.39 0.77 -0.325 -0.274938564026647 -0.529539147551833 0.0092 0.0095 3179000 Maybridge4_004679 FC(F)(F)c1ccncc1C(=O)NC(=N)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I20 compound treatment 0.12 0.249 0.35 0.0 0.0714 0.14 0.024 0.074061435973353 0.142644338783965 0.3685 0.9045 3179001 Maybridge4_004680 CC(Sc1ccc(C)cc1)C(=O)Nc2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I21 compound treatment -0.231 -0.102 -0.14 0.018 0.0894 0.18 -0.026 0.024061435973353 0.0463429797100688 0.0453 0.1947 3065854 Maybridge4_004681 Sc1nnc(s1)c2cnccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I22 mock treatment 0.297 0.426 0.61 0.101 0.172 0.34 0.36 0.410061435973353 0.78978947176055 1.0026 0.9528 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I23 mock treatment -0.835 -0.706 -1.0 0.379 0.45 0.89 0.073 0.123061435973353 0.237019670676384 0.0711 0.0523 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 I24 mock treatment -1.111 -0.982 -1.4 0.018 0.0894 0.18 0.185 0.235061435973353 0.452734715001912 -0.4424 -0.2994 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J01 mock treatment -0.048 0.0814 0.12 0.086 0.157 0.31 0.203 0.253061435973353 0.487403204268515 0.5277 0.8951 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J02 mock treatment 0.092 0.221 0.31 0.063 0.134 0.27 -0.423 -0.372938564026647 -0.71828981133667 -0.0797 -0.0963 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J03 mock treatment 0.195 0.324 0.46 0.143 0.214 0.42 0.206 0.256061435973353 0.493181285812949 0.7955 0.9981 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J04 mock treatment -0.2 -0.0706 -0.1 0.049 0.12 0.24 0.026 0.076061435973353 0.146496393146921 0.1639 0.5523 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J05 mock treatment -0.559 -0.43 -0.61 -0.034 0.0374 0.07 0.176 0.226061435973353 0.435400470368611 -0.0586 -0.0777 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J06 mock treatment 0.5 0.629 0.89 -0.031 0.0404 0.08 0.283 0.333061435973353 0.64148537878675 0.9331 0.8453 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J07 mock treatment -0.466 -0.337 -0.48 0.043 0.114 0.23 -0.191 -0.140938564026647 -0.27145150523379 -0.3026 -0.5087 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J08 mock treatment 0.353 0.482 0.69 0.322 0.393 0.78 0.47 0.520061435973353 1.00165246172312 1.4228 0.9872 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J09 mock treatment 0.041 0.17 0.24 0.073 0.144 0.29 0.213 0.263061435973353 0.506663476083294 0.5971 0.9479 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J10 mock treatment 0.591 0.72 1.02 0.0 0.0714 0.14 0.315 0.365061435973353 0.703118248594043 1.0787 0.8627 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J11 mock treatment -0.153 -0.0236 -0.03 -0.127 -0.0556 -0.11 -0.278 -0.227938564026647 -0.43901587002237 -0.3362 -0.7409 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J12 mock treatment 0.046 0.175 0.25 0.0 0.0714 0.14 -0.014 0.036061435973353 0.069455305887804 0.2655 0.9006 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J13 mock treatment -0.033 0.0964 0.14 -0.105 -0.0336 -0.07 -0.029 0.021061435973353 0.040564898165635 0.0643 0.4081 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J14 mock treatment -0.403 -0.274 -0.39 -0.129 -0.0576 -0.11 0.038 0.088061435973353 0.169608719324656 -0.1923 -0.4377 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J15 mock treatment 0.216 0.345 0.49 0.111 0.182 0.36 -0.145 -0.094938564026647 -0.182854254885805 0.3859 0.6069 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J16 mock treatment 0.213 0.342 0.49 0.3 0.371 0.73 0.097 0.147061435973353 0.283244323031854 0.868 0.9387 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J17 mock treatment 0.0 0.129 0.18 0.107 0.178 0.35 0.073 0.123061435973353 0.237019670676384 0.4465 0.9648 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J18 mock treatment -0.048 0.0814 0.12 -0.023 0.0484 0.1 0.292 0.342061435973353 0.658819623420051 0.5024 0.7435 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J19 mock treatment -0.036 0.0934 0.13 0.167 0.238 0.47 0.072 0.122061435973353 0.235093643494906 0.4842 0.8922 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J20 mock treatment -0.216 -0.0866 -0.12 -0.143 -0.0716 -0.14 0.176 0.226061435973353 0.435400470368611 0.0987 0.2083 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J21 mock treatment 0.225 0.354 0.5 -0.016 0.0554 0.11 -0.016 0.034061435973353 0.0656032515248481 0.392 0.7541 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J22 mock treatment 0.957 1.09 1.54 0.186 0.257 0.51 0.417 0.467061435973353 0.899573021104793 1.7046 0.9173 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J23 mock treatment 0.167 0.296 0.42 0.016 0.0874 0.17 -0.056 -0.005938564026647 -0.0114378357342692 0.3364 0.7384 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 J24 mock treatment -0.031 0.0984 0.14 0.068 0.139 0.28 -0.087 -0.036938564026647 -0.071144678360085 0.1987 0.6268 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K01 compound treatment -0.839 -0.71 -1.01 -0.661 -0.59 -1.16 -0.296 -0.245938564026647 -0.473684359288973 -1.5281 -0.9481 3065855 Maybridge4_004682 Oc1c/c(=N\c2ccc(Cl)cc2)/nc(COc3ccccc3)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K02 compound treatment 1.103 1.23 1.67 -0.209 -0.138 -0.27 0.027 0.077061435973353 0.148422420328399 0.8929 0.5258 3179002 Maybridge4_004683 Cc1cc(nn1C(C)(C)C)C(=O)Sc2cccc(c2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K03 compound treatment -0.587 -0.458 -0.65 -0.839 -0.768 -1.52 -0.394 -0.343938564026647 -0.66243502307381 -1.6331 -0.9188 3179003 Maybridge4_004684 Cc1noc(COc2ccccc2)c1C(=O)Sc3ccc(F)cc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K04 compound treatment -0.293 -0.164 -0.23 0.016 0.0874 0.17 -0.153 -0.102938564026647 -0.198262472337629 -0.1491 -0.4247 3065857 Maybridge4_004685 Cc1c(C#N)c(Sc2cccc(c2)C(F)(F)F)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K05 compound treatment -0.596 -0.467 -0.66 -0.327 -0.256 -0.5 0.029 0.079061435973353 0.152274474691355 -0.5864 -0.6921 3179004 Maybridge4_004686 CSc1nc(CSc2ccc(Cl)cc2)nc(C3CC3)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K06 compound treatment -0.567 -0.438 -0.62 -0.103 -0.0316 -0.06 -0.07 -0.019938564026647 -0.0384022162749602 -0.4174 -0.6662 3065858 Maybridge4_004687 Cc1cc(nn1Cc2c(Cl)cccc2Cl)C(=O)SCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K07 compound treatment -0.338 -0.209 -0.3 0.106 0.177 0.35 0.239 0.289061435973353 0.556740182801721 0.3525 0.4885 3179005 Maybridge4_004688 CCOC(=O)c1cc(C#N)c(Oc2ccc(C)cc2)nc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K08 compound treatment -0.448 -0.319 -0.45 -0.479 -0.408 -0.8 0.023 0.073061435973353 0.140718311602487 -0.6449 -0.6904 3065859 Maybridge4_004689 CC(C)OC(=O)Nc1cc(Cl)cc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K09 compound treatment -0.576 -0.447 -0.63 -0.015 0.0564 0.11 -0.111 -0.060938564026647 -0.117369330715555 -0.37 -0.5647 3179006 Maybridge4_004690 FC(F)(F)C1CCN(CC1)c2ncccc2NC(=S)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K10 compound treatment 0.262 0.391 0.56 0.378 0.449 0.89 0.027 0.077061435973353 0.148422420328399 0.9193 0.869 1235731 Maybridge4_004691 S=C(NC1CCCC1)N2CCCN(CC2)c3ccc(C#N)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K11 compound treatment -0.908 -0.779 -1.11 -0.386 -0.315 -0.62 -0.792 -0.741938564026647 -1.42899384130203 -1.8227 -0.9536 3179007 Maybridge4_004692 FC(F)(F)c1ccc(nc1)C(=N)NC(=O)c2cccc(c2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K12 compound treatment 0.078 0.207 0.29 -0.269 -0.198 -0.39 -0.403 -0.352938564026647 -0.679769267707112 -0.4474 -0.5343 1285775 Maybridge4_004693 Cc1onc(c1c2csc(CCn3c(=O)oc4ccccc34)n2)c5c(Cl)cccc5Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K13 compound treatment -1.508 -1.38 -1.96 -0.934 -0.863 -1.7 -0.513 -0.462938564026647 -0.891632257669684 -2.6297 -0.9578 3065861 Maybridge4_004694 NNC(=O)c1cccc(n1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K14 compound treatment -0.212 -0.0826 -0.12 -0.368 -0.297 -0.59 -0.108 -0.057938564026647 -0.111591249171122 -0.4703 -0.7741 3179092 Maybridge4_004695 CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K15 compound treatment -1.315 -1.19 -1.69 -1.81 -1.74 -3.43 -0.8 -0.749938564026647 -1.44440205875385 -3.7891 -0.9269 3065862 Maybridge4_004696 FC(F)(F)c1ccc(nc1)c2nnc(S)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K16 compound treatment -1.179 -1.05 -1.49 -0.381 -0.31 -0.61 -0.467 -0.416938564026647 -0.803035007321699 -1.6781 -0.9315 3065863 Maybridge4_004697 CC(C)N(CCC#N)C(=S)Nc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K17 compound treatment -1.623 -1.49 -2.12 -1.193 -1.12 -2.21 -0.65 -0.599938564026647 -1.15549798153216 -3.1717 -0.9674 3179093 Maybridge4_004698 CC(C)C(=N)NC(=S)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K18 compound treatment -0.636 -0.507 -0.72 -0.109 -0.0376 -0.07 -0.048 0.002061435973353 0.00397038171755429 -0.4564 -0.6303 1330597 Maybridge4_004699 CS(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K19 compound treatment -0.779 -0.65 -0.92 -0.077 -0.00556 -0.01 -0.441 -0.390938564026647 -0.752958300603273 -0.9743 -0.8176 3179094 Maybridge4_004700 N=C(NC(=O)N1CCOCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K20 compound treatment -0.383 -0.254 -0.36 -0.228 -0.157 -0.31 0.085 0.135061435973353 0.260131996854119 -0.2365 -0.4367 3065864 Maybridge4_004701 CN(C)/C=N/c1ncc(Br)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K21 compound treatment 0.011 0.14 0.2 -0.104 -0.0326 -0.06 0.183 0.233061435973353 0.448882660638956 0.3373 0.6808 3179095 Maybridge4_004702 CC(C)(C)C(=O)CSc1nnc(s1)c2cnccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K22 mock treatment 0.595 0.724 1.03 0.284 0.355 0.7 0.475 0.525061435973353 1.01128259763051 1.5837 0.9867 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K23 mock treatment 0.194 0.323 0.46 0.236 0.307 0.61 0.013 0.063061435973353 0.121458039787708 0.6861 0.8897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 K24 mock treatment -0.516 -0.387 -0.55 -0.225 -0.154 -0.3 0.159 0.209061435973353 0.402658008283486 -0.2599 -0.3485 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L01 mock treatment -0.275 -0.146 -0.21 -0.074 -0.00256 -0.01 0.141 0.191061435973353 0.367989519016883 0.09 0.2132 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L02 mock treatment -0.283 -0.154 -0.22 0.231 0.302 0.6 0.295 0.345061435973353 0.664597704964485 0.6024 0.6549 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L03 mock treatment 0.217 0.346 0.49 0.203 0.274 0.54 0.066 0.116061435973353 0.223537480406039 0.7263 0.9486 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L04 mock treatment -0.338 -0.209 -0.3 -0.182 -0.111 -0.22 0.254 0.304061435973353 0.58563059052389 0.0408 0.059 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L05 mock treatment -0.667 -0.538 -0.76 0.03 0.101 0.2 0.017 0.067061435973353 0.12916214851362 -0.2511 -0.3136 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L06 mock treatment 0.248 0.377 0.54 0.144 0.215 0.43 -0.152 -0.101938564026647 -0.196336445156151 0.442 0.6205 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L07 mock treatment -1.73 -1.6 -2.28 -0.141 -0.0696 -0.14 -0.989 -0.938938564026647 -1.80842119605318 -2.4373 -0.8376 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L08 mock treatment -0.328 -0.199 -0.28 -0.209 -0.138 -0.27 0.1 0.150061435973353 0.289022404576288 -0.153 -0.3142 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L09 mock treatment 0.228 0.357 0.51 -0.368 -0.297 -0.59 0.041 0.091061435973353 0.17538680086909 0.0566 0.0712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L10 mock treatment 0.091 0.22 0.31 0.17 0.241 0.48 0.292 0.342061435973353 0.658819623420051 0.8365 0.9599 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L11 mock treatment -0.05 0.0794 0.11 0.163 0.234 0.46 0.145 0.195061435973353 0.375693627742795 0.5493 0.9054 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L12 mock treatment -0.108 0.0214 0.03 -0.015 0.0564 0.11 0.279 0.329061435973353 0.633781270060838 0.4478 0.6951 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L13 mock treatment 0.132 0.261 0.37 0.313 0.384 0.76 -0.058 -0.00793856402664701 -0.015289890097225 0.644 0.7618 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L14 mock treatment -0.383 -0.254 -0.36 -0.014 0.0574 0.11 0.0 0.050061435973353 0.096419686428495 -0.087 -0.2231 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L15 mock treatment 0.087 0.216 0.31 0.145 0.216 0.43 0.125 0.175061435973353 0.337173084113236 0.619 0.99 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L16 mock treatment -0.704 -0.575 -0.82 -0.111 -0.0396 -0.08 0.241 0.291061435973353 0.560592237164677 -0.1931 -0.1943 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L17 mock treatment 0.31 0.439 0.62 -0.045 0.0264 0.05 0.016 0.066061435973353 0.127236121332142 0.4643 0.7258 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L18 mock treatment -0.106 0.0234 0.03 0.2 0.271 0.54 -0.21 -0.159938564026647 -0.308046021681871 0.1508 0.2436 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L19 mock treatment -0.155 -0.0256 -0.04 -0.083 -0.0116 -0.02 0.313 0.363061435973353 0.699266194231088 0.3695 0.5275 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L20 mock treatment 0.254 0.383 0.55 0.033 0.104 0.21 0.338 0.388061435973353 0.747416873768036 0.8653 0.913 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L21 mock treatment 0.0 0.129 0.18 0.41 0.481 0.95 -0.392 -0.341938564026647 -0.658582968710854 0.2748 0.2347 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L22 mock treatment 0.255 0.384 0.55 0.245 0.316 0.62 0.222 0.272061435973353 0.523997720716596 0.9788 0.9971 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L23 mock treatment 0.0 0.129 0.18 0.153 0.224 0.44 0.342 0.392061435973353 0.755120982493948 0.7981 0.892 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 L24 mock treatment 0.427 0.556 0.79 -0.043 0.0284 0.06 0.169 0.219061435973353 0.421918280098265 0.7327 0.8157 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M01 compound treatment -0.477 -0.348 -0.49 0.375 0.446 0.88 0.453 0.503061435973353 0.968909999637998 0.783 0.5593 3065865 Maybridge4_004703 FC(F)(F)c1cccn(CCc2nc(cs2)c3ccccc3)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M02 compound treatment -0.389 -0.26 -0.37 -0.019 0.0524 0.1 -0.042 0.00806143597335299 0.0155265448064219 -0.1443 -0.3763 3179096 Maybridge4_004704 Cc1cc(nn1C(C)(C)C)C(=O)Sc2cccc(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M03 compound treatment -0.5 -0.371 -0.53 -0.304 -0.233 -0.46 0.0 0.050061435973353 0.096419686428495 -0.5137 -0.728 3179097 Maybridge4_004705 CN(CCOC(=O)c1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M04 compound treatment -0.676 -0.547 -0.78 0.118 0.189 0.37 -0.018 0.032061435973353 0.0617511971618922 -0.1971 -0.2279 3065866 Maybridge4_004706 Cc1c(C#N)c(Sc2n[nH]c(=O)n2C3CCCCC3)nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M05 compound treatment 0.077 0.206 0.29 0.262 0.333 0.66 -0.093 -0.042938564026647 -0.0827008414489526 0.5018 0.6916 3065894 Maybridge4_004707 CCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c3cccc(c3)C(F)(F)F)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M06 compound treatment 0.492 0.621 0.88 0.408 0.479 0.95 0.305 0.355061435973353 0.683857976779264 1.4515 0.9912 3065895 Maybridge4_004708 OC(C(O)c1nc2cc(C#N)ccc2[nH]1)c3nc4cc(C#N)ccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M07 compound treatment -0.492 -0.363 -0.52 -0.062 0.00944 0.02 -0.212 -0.161938564026647 -0.311898076044827 -0.467 -0.7746 3065896 Maybridge4_004709 CCOC(=O)c1cc(C#N)c(Sc2nnc([nH]2)C(C)(C)C)nc1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M08 compound treatment -0.268 -0.139 -0.2 0.115 0.186 0.37 -0.078 -0.027938564026647 -0.0538104337267837 0.0677 0.1608 3065897 Maybridge4_004710 NC(=S)Cc1ccc(Cl)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M09 compound treatment -0.136 -0.00659 -0.01 -0.309 -0.238 -0.47 -0.078 -0.027938564026647 -0.0538104337267837 -0.3073 -0.6507 3065898 Maybridge4_004711 FC(F)(F)C1CCN(CC1)c2ncccc2NC(=S)Nc3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M10 compound treatment -1.693 -1.56 -2.22 -0.964 -0.893 -1.76 -1.257 -1.20693856402665 -2.32459648068926 -3.6431 -0.9933 1643927 Maybridge4_004712 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c2nnc(S)n2CC3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M11 compound treatment 0.412 0.541 0.77 0.0 0.0714 0.14 0.239 0.289061435973353 0.556740182801721 0.8473 0.8822 3065900 Maybridge4_004713 FC(F)(F)c1ccc(=O)n(Cc2cccc(C#N)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M12 compound treatment -0.03 0.0994 0.14 -0.821 -0.75 -1.48 -1.149 -1.09893856402665 -2.11658554508965 -1.9949 -0.7713 1263587 Maybridge4_004714 COc1ccccc1OCc2nc(cs2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M13 compound treatment -1.653 -1.52 -2.17 -1.2 -1.13 -2.23 -0.597 -0.546938564026647 -1.05341854091383 -3.1454 -0.9585 3179098 Maybridge4_004715 FC(F)(F)c1ccc(cc1)C(=N)NC(=O)CCn2c(=O)oc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M14 compound treatment 0.291 0.42 0.6 0.358 0.429 0.85 0.23 0.280061435973353 0.539405938168419 1.1461 0.9802 1136340 Maybridge4_004716 CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M15 compound treatment -0.01 0.119 0.17 -0.29 -0.219 -0.43 0.091 0.141061435973353 0.271688159942987 0.0057 0.0106 3179099 Maybridge4_004717 FC(F)(F)c1ccc(nc1)c2nnc(SCC=C)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M16 compound treatment 1.323 1.45 1.79 1.208 1.28 2.3 0.386 0.436061435973353 0.839866178478977 2.8445 0.9385 1122167 Maybridge4_004718 O=C(N1CCN(CCOc2ccccc2)CC1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M17 compound treatment -0.263 -0.134 -0.19 0.057 0.128 0.25 -0.527 -0.476938564026647 -0.918596638210375 -0.4936 -0.508 3179100 Maybridge4_004719 FC(F)(F)COc1ccc(cn1)C(=O)NC(=N)c2ccc(cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M18 compound treatment -0.379 -0.25 -0.35 -0.149 -0.0776 -0.15 -0.135 -0.084938564026647 -0.163593983071026 -0.3878 -0.9239 3065901 Maybridge4_004720 CNC(=O)Nc1nc2cccnc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M19 compound treatment 0.381 0.51 0.73 -0.022 0.0494 0.1 0.095 0.145061435973353 0.279392268668899 0.6366 0.8123 1030287 Maybridge4_004721 CSc1nc(O)cc(O)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M20 compound treatment 0.069 0.198 0.28 -0.52 -0.449 -0.89 -0.235 -0.184938564026647 -0.356196701218819 -0.5541 -0.5567 3179101 Maybridge4_004722 Cc1nc(N/C=N/O)c(Br)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M21 compound treatment -0.641 -0.512 -0.73 -0.074 -0.00256 -0.01 0.057 0.107061435973353 0.206203235772737 -0.3038 -0.4018 3179102 Maybridge4_004723 Cc1nc(c(s1)C(=O)Sc2ccc(C)cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M22 mock treatment 0.098 0.227 0.32 0.071 0.142 0.28 0.054 0.104061435973353 0.200425154228303 0.4648 0.9824 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M23 mock treatment -0.745 -0.616 -0.88 0.18 0.251 0.5 0.346 0.396061435973353 0.762825091219859 0.2217 0.1756 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 M24 mock treatment -0.851 -0.722 -1.03 0.22 0.291 0.58 0.041 0.091061435973353 0.17538680086909 -0.1588 -0.1336 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N01 mock treatment 0.15 0.279 0.4 0.053 0.124 0.25 0.046 0.096061435973353 0.18501693677648 0.478 0.9515 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N02 mock treatment 0.55 0.679 0.97 0.357 0.428 0.85 0.598 0.648061435973353 1.2481839409523 1.7668 0.9866 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N03 mock treatment -0.778 -0.649 -0.92 -0.159 -0.0876 -0.17 0.06 0.110061435973353 0.211981317317171 -0.5098 -0.53 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N04 mock treatment 0.437 0.566 0.81 0.227 0.298 0.59 0.244 0.294061435973353 0.56637031870911 1.1322 0.9867 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N05 mock treatment -0.068 0.0614 0.09 0.286 0.357 0.71 0.078 0.128061435973353 0.246649806583774 0.6003 0.7975 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N06 mock treatment 0.369 0.498 0.71 0.035 0.106 0.21 0.257 0.307061435973353 0.591408672068323 0.8719 0.9211 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N07 mock treatment 0.268 0.397 0.57 -0.062 0.00944 0.02 0.397 0.447061435973353 0.861052477475234 0.8341 0.8098 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N08 mock treatment -0.319 -0.19 -0.27 0.036 0.107 0.21 0.043 0.093061435973353 0.179238855232046 0.0703 0.1817 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N09 mock treatment 0.088 0.217 0.31 0.078 0.149 0.3 -0.094 -0.043938564026647 -0.0846268686304306 0.3 0.6886 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N10 mock treatment 0.402 0.531 0.76 0.079 0.15 0.3 0.37 0.420061435973353 0.80904974357533 1.0748 0.9378 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N11 mock treatment -0.155 -0.0256 -0.04 0.113 0.184 0.36 0.069 0.119061435973353 0.229315561950472 0.3216 0.7447 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N12 mock treatment 0.333 0.462 0.66 0.05 0.121 0.24 0.157 0.207061435973353 0.39880595392053 0.7483 0.929 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N13 mock treatment -0.113 0.0164 0.02 0.0 0.0714 0.14 0.059 0.109061435973353 0.210055290135693 0.2162 0.8508 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N14 mock treatment 0.359 0.488 0.69 0.337 0.408 0.81 0.121 0.171061435973353 0.329468975387325 1.0568 0.9486 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N15 mock treatment 1.5 1.63 1.87 0.01 0.0814 0.16 0.071 0.121061435973353 0.233167616313428 1.3079 0.691 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N16 mock treatment -0.071 0.0584 0.08 0.044 0.115 0.23 0.07 0.120061435973353 0.23124158913195 0.3131 0.9341 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N17 mock treatment 0.317 0.446 0.63 0.153 0.224 0.44 0.23 0.280061435973353 0.539405938168419 0.9337 0.9896 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N18 mock treatment 0.411 0.54 0.77 0.353 0.424 0.84 0.338 0.388061435973353 0.747416873768036 1.359 0.9988 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N19 mock treatment 0.293 0.422 0.6 -0.109 -0.0376 -0.07 -0.11 -0.059938564026647 -0.115443303534077 0.2373 0.3851 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N20 mock treatment 0.0 0.129 0.18 0.036 0.107 0.21 -0.067 -0.016938564026647 -0.0326241347305264 0.2099 0.7424 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N21 mock treatment 0.266 0.395 0.56 0.127 0.198 0.39 0.328 0.378061435973353 0.728156601953257 0.9712 0.9713 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N22 mock treatment 0.32 0.449 0.64 0.159 0.23 0.46 0.7 0.750061435973353 1.44463871346305 1.4657 0.8916 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N23 mock treatment 0.135 0.264 0.38 0.048 0.119 0.24 0.12 0.170061435973353 0.327542948205847 0.5423 0.9832 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 N24 mock treatment 0.257 0.386 0.55 -0.175 -0.104 -0.2 0.264 0.314061435973353 0.604890862338669 0.5484 0.651 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O01 compound treatment -1.302 -1.17 -1.67 -0.871 -0.8 -1.58 -0.375 -0.324938564026647 -0.625840506625729 -2.2354 -0.9393 3065902 Maybridge4_004724 Cc1nn(c(N)c1C(=S)N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O02 compound treatment -0.333 -0.204 -0.29 0.261 0.332 0.66 0.205 0.255061435973353 0.491255258631471 0.4955 0.5699 1470895 Maybridge4_004725 CCOC(=O)c1cc(Sc2ccccc2NC(=O)c3ccccc3)cc(n1)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O03 compound treatment -0.907 -0.778 -1.11 -0.365 -0.294 -0.58 -0.364 -0.313938564026647 -0.604654207629472 -1.3221 -0.9532 3065903 Maybridge4_004726 Cc1cc(no1)c2nnc(SCC(=O)c3ccccc3Cl)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O04 compound treatment -0.891 -0.762 -1.08 -0.141 -0.0696 -0.14 -0.148 -0.097938564026647 -0.188632336430239 -0.8134 -0.7343 1417512 Maybridge4_004727 Cc1c(C#N)c(Sc2ccccc2NC(=O)c3ccccc3)nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O05 compound treatment -2.238 -2.11 -3.0 -2.145 -2.07 -4.09 -1.355 -1.30493856402665 -2.5133471444741 -5.5458 -0.9793 3065905 Maybridge4_004728 CC(C)(C)c1ccc(OCC(=N)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O06 compound treatment 0.53 0.659 0.94 0.296 0.367 0.73 -0.092 -0.041938564026647 -0.0807748142674747 0.9135 0.7688 1176898 Maybridge4_004729 OC(C(O)c1nc2cc(Cl)ccc2[nH]1)c3nc4cc(Cl)ccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O07 compound treatment -0.443 -0.314 -0.45 0.353 0.424 0.84 0.297 0.347061435973353 0.668449759327441 0.6124 0.5274 3065906 Maybridge4_004730 Cc1nc(nc(Sc2nnc([nH]2)c3cccs3)c1C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O08 compound treatment -0.301 -0.172 -0.24 -0.346 -0.275 -0.54 -0.195 -0.144938564026647 -0.279155613959702 -0.615 -0.9364 3179103 Maybridge4_004731 CC(=O)N/C(=C\c1ccc2ccccc2c1)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O09 compound treatment -0.316 -0.187 -0.27 0.029 0.1 0.2 -0.012 0.038061435973353 0.0733073602507598 0.0037 0.0108 3179104 Maybridge4_004732 NC(=O)C1=CN(Cc2ccccc2)CCC1C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O10 compound treatment -0.225 -0.0956 -0.14 -0.064 0.00744 0.01 -0.17 -0.119938564026647 -0.231004934422753 -0.2034 -0.7576 3065908 Maybridge4_004733 CC(C)(C)c1cc(c2nnc(o2)c3cccs3)n(Cc4ccc(F)cc4)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O11 compound treatment -0.94 -0.811 -1.15 -1.342 -1.27 -2.51 -1.802 -1.75193856402665 -3.37428129459474 -4.062 -0.9317 3179105 Maybridge4_004734 FC(F)(F)COc1cc(cc(OCC(F)(F)F)n1)c2nnc(S)n2Cc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O12 compound treatment 0.143 0.272 0.39 -2.273 -2.2 -4.35 -3.588 -3.53793856402665 -6.81416584071432 -6.2203 -0.7687 3065960 Maybridge4_004735 Clc1ccc(Sc2c[nH]nc2c3ccc4OCCOc4c3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O13 compound treatment -0.16 -0.0306 -0.04 -0.063 0.00844 0.02 0.063 0.113061435973353 0.217759398861605 0.1102 0.495 1741446 Maybridge4_004736 CC(C)(C)NC(=O)N1CCN(CC1)c2ccc(C#N)cn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O14 compound treatment -0.123 0.00641 0.01 -0.129 -0.0576 -0.11 0.014 0.064061435973353 0.123384066969186 0.0109 0.0647 1571449 Maybridge4_004737 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O15 compound treatment -0.939 -0.81 -1.15 -0.887 -0.816 -1.61 -0.453 -0.402938564026647 -0.776070626781008 -2.0424 -0.9606 3065932 Maybridge4_004738 N/C(=N\O)/c1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O16 compound treatment -0.825 -0.696 -0.99 -0.562 -0.491 -0.97 -0.603 -0.552938564026647 -1.0649747040027 -1.7451 -0.9992 1468379 Maybridge4_004739 CC(C)c1ccc(NC(=O)N2CCCN(CCOc3ccccc3)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O17 compound treatment -2.855 -2.73 -3.88 -2.696 -2.62 -5.18 -1.295 -1.24493856402665 -2.39778551358543 -6.6137 -0.9584 3065933 Maybridge4_004740 COc1ccc(OCC(=N)NC(=S)Nc2cccc(c2)C(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O18 compound treatment -0.244 -0.115 -0.16 -0.304 -0.233 -0.46 -0.073 -0.022938564026647 -0.044180297819394 -0.3847 -0.7863 3065934 Maybridge4_004741 NC(=C(C#N)C#N)Nc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O19 compound treatment -0.338 -0.209 -0.3 0.522 0.593 1.17 0.308 0.358061435973353 0.689636058323698 0.9034 0.6492 3065935 Maybridge4_004742 Oc1nnc(SCC(=O)N2CCC(CC2)C(F)(F)F)n1c3cccc(c3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O20 compound treatment -0.232 -0.103 -0.15 -0.23 -0.159 -0.31 -0.118 -0.067938564026647 -0.130851520985901 -0.3405 -0.9219 3065936 Maybridge4_004743 Cc1cc(Br)cnc1N/C=N/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O21 compound treatment 0.027 0.156 0.22 -0.516 -0.445 -0.88 -0.024 0.026061435973353 0.0501950340730246 -0.3494 -0.3853 3179106 Maybridge4_004744 Cc1nc(c(s1)C(=O)Sc2cccc(c2)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O22 mock treatment 0.432 0.561 0.8 0.165 0.236 0.47 0.36 0.410061435973353 0.78978947176055 1.1864 0.9756 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O23 mock treatment 0.282 0.411 0.58 -0.307 -0.236 -0.47 0.117 0.167061435973353 0.321764866661413 0.2549 0.3133 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 O24 mock treatment -1.699 -1.57 -2.23 0.029 0.1 0.2 -0.014 0.036061435973353 0.069455305887804 -1.1338 -0.5058 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P01 mock treatment 0.061 0.19 0.27 -0.38 -0.309 -0.61 0.174 0.224061435973353 0.431548416005655 0.0537 0.0676 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P02 mock treatment 0.044 0.173 0.25 0.147 0.218 0.43 -0.034 0.016061435973353 0.0309347622582453 0.4092 0.8221 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P03 mock treatment -0.065 0.0644 0.09 0.188 0.259 0.51 0.074 0.124061435973353 0.238945697857862 0.4866 0.8497 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P04 mock treatment 0.22 0.349 0.5 -0.214 -0.143 -0.28 -0.034 0.016061435973353 0.0309347622582453 0.1422 0.2486 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P05 mock treatment -0.537 -0.408 -0.58 -0.015 0.0564 0.11 0.048 0.098061435973353 0.188868991139436 -0.1612 -0.2602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P06 mock treatment -0.09 0.0394 0.06 -0.102 -0.0306 -0.06 -0.122 -0.071938564026647 -0.138555629711813 -0.0825 -0.5118 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P07 mock treatment 0.407 0.536 0.76 0.329 0.4 0.79 -0.358 -0.307938564026647 -0.593098044540605 0.5544 0.4441 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P08 mock treatment 0.194 0.323 0.46 0.198 0.269 0.53 0.155 0.205061435973353 0.394953899557574 0.8007 0.9927 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P09 mock treatment 0.073 0.202 0.29 0.078 0.149 0.3 -0.013 0.037061435973353 0.0713813330692819 0.3777 0.903 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P10 mock treatment 0.44 0.569 0.81 0.511 0.582 1.15 0.145 0.195061435973353 0.375693627742795 1.3483 0.9262 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P11 mock treatment 0.449 0.578 0.82 0.086 0.157 0.31 0.068 0.118061435973353 0.227389534768994 0.7856 0.8651 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P12 mock treatment -0.19 -0.0606 -0.09 0.256 0.327 0.65 0.0 0.050061435973353 0.096419686428495 0.3792 0.5751 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P13 mock treatment 0.122 0.251 0.36 0.604 0.675 1.33 -0.115 -0.064938564026647 -0.125073439441467 0.9042 0.6522 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P14 mock treatment -0.37 -0.241 -0.34 -0.371 -0.3 -0.59 -0.18 -0.129938564026647 -0.250265206237533 -0.6835 -0.9393 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P15 mock treatment 0.306 0.435 0.62 0.278 0.349 0.69 0.2 0.250061435973353 0.481625122724081 1.0338 0.9897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P16 mock treatment 0.0 0.129 0.18 -0.064 0.00744 0.01 -0.051 -9.38564026647E-4 -0.0018076998268795 0.1137 0.6158 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P17 mock treatment 0.309 0.438 0.62 0.07 0.141 0.28 0.219 0.269061435973353 0.518219639172162 0.8203 0.9568 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P18 mock treatment -0.433 -0.304 -0.43 -0.442 -0.371 -0.73 -0.183 -0.132938564026647 -0.256043287781967 -0.8195 -0.9236 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P19 mock treatment 1.786 1.92 1.98 0.33 0.401 0.79 1.475 1.52506143597335 2.39560727275418 2.9863 0.9303 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P20 mock treatment 0.351 0.48 0.68 0.134 0.205 0.41 -0.288 -0.237938564026647 -0.458276141837149 0.364 0.3969 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P21 mock treatment 0.111 0.24 0.34 0.0 0.0714 0.14 -0.129 -0.078938564026647 -0.152037819982158 0.191 0.4777 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P22 mock treatment 0.157 0.286 0.41 -0.06 0.0114 0.02 0.203 0.253061435973353 0.487403204268515 0.5295 0.8332 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P23 mock treatment -0.349 -0.22 -0.31 0.188 0.259 0.51 0.0 0.050061435973353 0.096419686428495 0.1712 0.2817 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2062 P24 mock treatment -0.03 0.0994 0.14 0.159 0.23 0.46 -0.058 -0.00793856402664701 -0.015289890097225 0.3355 0.7037 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A01 compound treatment 0.513 0.642 0.91 0.39 0.461 0.91 0.397 0.447061435973353 0.861052477475234 1.5505 0.9996 1360118 TimTec1_000001 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccncc4)C(=O)OC5CCCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A02 compound treatment -1.042 -0.913 -1.3 -0.833 -0.762 -1.5 -0.169 -0.118938564026647 -0.229078907241275 -1.7495 -0.8751 1352805 TimTec1_000002 CCOC(=O)c1cc2ccccc2oc1=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A03 compound treatment -2.534 -2.4 -3.42 -1.192 -1.12 -2.21 -1.178 -1.12793856402665 -2.17244033335251 -4.5055 -0.9762 1269647 TimTec1_000003 CN1C2CCC1CC(C2)NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A04 compound treatment -0.188 -0.0586 -0.08 -0.365 -0.294 -0.58 -0.475 -0.424938564026647 -0.818443224773522 -0.8553 -0.8499 1717432 TimTec1_000004 NC1=C(C#N)C2=C(CCCC2)C(c3ccccc3)C1(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A05 compound treatment -0.289 -0.16 -0.23 -0.139 -0.0676 -0.13 -0.161 -0.110938564026647 -0.213670689789452 -0.3314 -0.9775 1640292 TimTec1_000005 CC1C2CC(C(C2=O)S(=O)(=O)N3CCOCC3)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A06 compound treatment -0.509 -0.38 -0.54 -0.304 -0.233 -0.46 -0.357 -0.306938564026647 -0.591172017359127 -0.918 -0.9948 1432692 TimTec1_000006 CC(=C)C[N+](C)(C)Cc1c(C)ccc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A07 compound treatment -0.525 -0.396 -0.56 -0.186 -0.115 -0.23 -0.173 -0.122938564026647 -0.236783015967187 -0.592 -0.9097 3209477 TimTec1_000007 O=C1N(CSc2nc3ccccc3s2)C(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A08 compound treatment -0.19 -0.0606 -0.09 0.034 0.105 0.21 0.013 0.063061435973353 0.121458039787708 0.1406 0.5492 1665724 TimTec1_000008 CC1(C)CC(=C(C(C2C(=O)CC(C)(C)CC2=O)c3ccccc3)C(=O)C1)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A09 compound treatment 0.0 0.129 0.18 -0.148 -0.0766 -0.15 -0.338 -0.287938564026647 -0.554577500911046 -0.3012 -0.4991 1568897 TimTec1_000009 CCOC(=O)c1ccc(NC(=O)NC2OC(CO)C(O)C(O)C2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A10 compound treatment -0.895 -0.766 -1.09 -0.75 -0.679 -1.34 -0.753 -0.702938564026647 -1.35387878122439 -2.1837 -0.9954 3082080 TimTec1_000010 Cc1cc[n+](Cc2ccccn2)c(N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A11 compound treatment 0.347 0.476 0.68 -0.689 -0.618 -1.22 -0.8 -0.749938564026647 -1.44440205875385 -1.1469 -0.5712 1782663 TimTec1_000011 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A12 compound treatment 0.0 0.129 0.18 -0.017 0.0544 0.11 -0.042 0.00806143597335299 0.0155265448064219 0.1772 0.8296 3082082 TimTec1_000012 CCCC1CCCCCC1NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A13 compound treatment 0.0 0.129 0.18 0.6 0.671 1.33 0.333 0.383061435973353 0.737786737860646 1.2976 0.849 3508726 TimTec1_000013 CCC(=O)NC1CC(CC=C1C)C(C)(C)NC(=O)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A14 compound treatment -0.592 -0.463 -0.66 -0.463 -0.392 -0.77 -0.41 -0.359938564026647 -0.693251457977457 -1.2263 -0.9977 3209587 TimTec1_000014 OC(=O)CCC(=O)N=S(c1ccccc1)c2ccccc2.Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A15 compound treatment -1.078 -0.949 -1.35 -0.43 -0.359 -0.71 -0.324 -0.273938564026647 -0.527613120370355 -1.492 -0.9256 1459520 TimTec1_000015 COc1ccccc1c2nnc(N)[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A16 compound treatment -0.556 -0.427 -0.61 -0.906 -0.835 -1.65 -1.375 -1.32493856402665 -2.55186768810366 -2.7749 -0.8958 3082084 TimTec1_000016 Cc1[nH]c2ccccc2c1Sc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A17 compound treatment -1.54 -1.41 -2.01 -1.712 -1.64 -3.24 -1.302 -1.25193856402665 -2.41126770385577 -4.4203 -0.9804 1172294 TimTec1_000017 Cc1cc(C)c(NC(=O)CCNC2CCCCC2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A18 compound treatment -0.71 -0.581 -0.83 -0.511 -0.44 -0.87 -0.454 -0.403938564026647 -0.777996653962486 -1.4269 -0.999 1183562 TimTec1_000018 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4ccc(O)cc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A19 compound treatment 0.167 0.296 0.42 -0.268 -0.197 -0.39 0.182 0.232061435973353 0.446956633457479 0.2773 0.3816 1230606 TimTec1_000019 CCN1CCN(CC1)c2ccc(NC(=O)c3cccc(Br)c3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A20 compound treatment -0.182 -0.0526 -0.07 -0.492 -0.421 -0.83 -0.237 -0.186938564026647 -0.360048755581775 -0.7305 -0.8043 1045901 TimTec1_000020 COC(=O)c1cc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A21 compound treatment -0.26 -0.131 -0.19 -0.071 4.38E-4 0.0 0.04 0.090061435973353 0.173460773687612 -0.0066 -0.0258 3209588 TimTec1_000021 CSc1ccc(/C=N/n2nnnc2Nc3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A22 compound treatment -1.19 -1.06 -1.51 -0.704 -0.633 -1.25 -1.187 -1.13693856402665 -2.18977457798581 -2.856 -0.9722 3082088 TimTec1_000022 OC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A23 mock treatment -0.739 -0.61 -0.87 0.102 0.173 0.34 0.224 0.274061435973353 0.527849775079552 0.0021 0.0019 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 A24 mock treatment -0.029 0.1 0.14 0.068 0.139 0.28 0.043 0.093061435973353 0.179238855232046 0.3449 0.9628 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B01 compound treatment -0.712 -0.583 -0.83 -0.083 -0.0116 -0.02 0.014 0.064061435973353 0.123384066969186 -0.4202 -0.5015 1462495 TimTec1_000023 CSc1c(CC(=O)Nc2ccccc2)n(C)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B02 compound treatment -0.948 -0.819 -1.16 -0.318 -0.247 -0.49 0.025 0.075061435973353 0.144570365965443 -0.8696 -0.6848 3209589 TimTec1_000024 Nc1c(sc2nc(N)c(C#N)cc12)C(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B03 compound treatment 0.113 0.242 0.34 -0.183 -0.112 -0.22 0.104 0.154061435973353 0.2967265133022 0.2431 0.4811 1291339 TimTec1_000025 CCOC(=O)c1c(CN2CCOCC2)n(C)c3ccc(O)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B04 compound treatment -0.312 -0.183 -0.26 -0.095 -0.0236 -0.05 -0.086 -0.035938564026647 -0.0692186511786071 -0.2167 -0.7948 1292419 TimTec1_000026 O=C(Oc1ccc(OC(=O)c2ccco2)cc1)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B05 compound treatment -0.82 -0.691 -0.98 -0.25 -0.179 -0.35 -0.425 -0.374938564026647 -0.722141865699626 -1.1874 -0.9358 1346277 TimTec1_000027 O=C(N1CCCCC1)c2ccc(cc2)C(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B06 compound treatment -0.904 -0.775 -1.1 -0.52 -0.449 -0.89 -0.297 -0.246938564026647 -0.475610386470451 -1.4218 -0.9535 1037513 TimTec1_000028 O=C1N(C(=O)c2ccccc12)c3nccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B07 compound treatment -0.78 -0.651 -0.92 -0.545 -0.474 -0.94 -0.427 -0.376938564026647 -0.725993920062582 -1.4931 -0.9938 3209590 TimTec1_000029 Cc1ccc(s1)C(=O)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B08 compound treatment -0.914 -0.785 -1.12 -1.037 -0.966 -1.91 -0.538 -0.487938564026647 -0.939782937206632 -2.2874 -0.9529 1598558 TimTec1_000030 O=C(Nc1ccccc1)C(=S)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B09 compound treatment -0.551 -0.422 -0.6 -0.509 -0.438 -0.86 -0.236 -0.185938564026647 -0.358122728400297 -1.0516 -0.9467 1166367 TimTec1_000031 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B10 compound treatment -0.756 -0.627 -0.89 -0.924 -0.853 -1.68 -0.537 -0.486938564026647 -0.937856910025154 -2.0277 -0.9551 3081103 TimTec1_000032 C/C(=N\C1CC1)/c2c(C)[nH]n(c3nc4ccccc4s3)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B11 compound treatment -0.02 0.109 0.16 -1.634 -1.56 -3.09 -2.775 -2.72493856402665 -5.24830574217277 -4.7216 -0.7753 1692568 TimTec1_000033 Fc1ccc(cc1)C(=O)CCCN2CCNCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B12 compound treatment 0.567 0.696 0.99 0.113 0.184 0.36 0.099 0.149061435973353 0.28709637739481 0.9477 0.8668 3209591 TimTec1_000034 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/N(C)C1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B13 compound treatment -0.857 -0.728 -1.03 -0.945 -0.874 -1.72 -0.551 -0.500938564026647 -0.964821290565845 -2.1501 -0.9639 1611433 TimTec1_000035 CC(=O)Oc1ccc2occ(C(=O)c3ccc(Br)s3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B14 compound treatment -1.115 -0.986 -1.4 -0.387 -0.316 -0.62 0.102 0.152061435973353 0.292874458939244 -0.9997 -0.6403 1351179 TimTec1_000036 O=C(c1nnn(c1Nc2ccccc2)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B15 compound treatment 0.317 0.446 0.63 0.131 0.202 0.4 0.236 0.286061435973353 0.550962101257287 0.9153 0.9835 1357665 TimTec1_000037 OC(=O)c1cccc(CN2CCN(CC2)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B16 compound treatment -0.547 -0.418 -0.59 -0.272 -0.201 -0.4 -0.173 -0.122938564026647 -0.236783015967187 -0.7081 -0.9418 1209399 TimTec1_000038 O=C(NCCc1ccccc1)c2ccc(cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B17 compound treatment -1.097 -0.968 -1.38 -0.474 -0.403 -0.79 -0.3 -0.249938564026647 -0.481388468014885 -1.5311 -0.9223 3209592 TimTec1_000039 CNC(=O)CSCc1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B18 compound treatment -1.603 -1.47 -2.1 -1.273 -1.2 -2.37 -0.606 -0.555938564026647 -1.07075278554713 -3.1976 -0.957 3209593 TimTec1_000040 O=C(Oc1nc2ccccc2s1)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B19 compound treatment -0.5 -0.371 -0.53 0.044 0.115 0.23 0.139 0.189061435973353 0.364137464653928 0.0376 0.0553 1421610 TimTec1_000041 CN(C(=O)Oc1cccc(c1)C(=O)Nc2ccc(C)c(C)c2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B20 compound treatment -0.443 -0.314 -0.45 -0.132 -0.0606 -0.12 -0.028 0.022061435973353 0.0424909253471129 -0.3019 -0.6513 3209594 TimTec1_000042 COC(=O)NC(Nc1cccc(c1)C(F)(F)F)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B21 compound treatment -0.106 0.0234 0.03 -0.509 -0.438 -0.86 -0.241 -0.190938564026647 -0.367752864307687 -0.6919 -0.7364 1920491 TimTec1_000043 COc1ccc2nc(NC(=N)N)nc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B22 compound treatment -0.05 0.0794 0.11 -0.262 -0.191 -0.38 0.079 0.129061435973353 0.248575833765252 -0.0085 -0.0184 1644751 TimTec1_000044 COc1ccc(cc1)C(=O)Oc2csc(=S)n2C(=O)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B23 mock treatment 0.296 0.425 0.6 0.253 0.324 0.64 0.402 0.452061435973353 0.870682613382624 1.2217 0.9863 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 B24 mock treatment 0.123 0.252 0.36 0.111 0.182 0.36 0.197 0.247061435973353 0.475847041179648 0.6899 0.9907 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C01 compound treatment -0.815 -0.686 -0.97 -1.21 -1.14 -2.25 -0.515 -0.464938564026647 -0.89548431203264 -2.3777 -0.9114 1157703 TimTec1_000045 COc1ccc2C3CC(=Nc4ccccc4N3C(=O)c2c1OC)c5ccc(Br)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C02 compound treatment 0.266 0.395 0.56 0.162 0.233 0.46 0.104 0.154061435973353 0.2967265133022 0.762 0.9705 3209595 TimTec1_000046 COC(=O)CC1=CC(C)(CC(=O)OC)C(C#N)(C#N)C(=C1C#N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C03 compound treatment -0.169 -0.0396 -0.06 0.032 0.103 0.2 -0.083 -0.032938564026647 -0.0634405696341733 0.0488 0.2206 1704164 TimTec1_000047 CCCCN(C1CC2CCC(C1)N2C)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C04 compound treatment -0.849 -0.72 -1.02 -0.31 -0.239 -0.47 -0.435 -0.384938564026647 -0.741402137514405 -1.2907 -0.9572 1258841 TimTec1_000048 O=C1C(=C2CCCCC2C(c3ccco3)C1(C#N)C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C05 compound treatment -0.732 -0.603 -0.86 -0.083 -0.0116 -0.02 0.328 0.378061435973353 0.728156601953257 -0.0874 -0.0777 1916777 TimTec1_000049 CC1C/2CC(C(\C2=N\O)S(=O)(=O)N3CCOCC3)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C06 compound treatment 0.597 0.726 1.03 -0.143 -0.0716 -0.14 -0.14 -0.089938564026647 -0.173224118978415 0.4147 0.3924 3209596 TimTec1_000050 COC1OC(COC(=O)C)C(OC(=O)C)C(C#N)(C#N)C1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C07 compound treatment 0.157 0.286 0.41 0.197 0.268 0.53 0.258 0.308061435973353 0.593334699249801 0.8837 0.9887 1250478 TimTec1_000051 OC(COc1ccc(Nc2ccccc2)cc1)COc3ccc(Nc4ccccc4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C08 compound treatment -0.587 -0.458 -0.65 -0.7 -0.629 -1.24 -0.437 -0.386938564026647 -0.745254191877361 -1.5224 -0.9592 1606069 TimTec1_000052 CC(C)C(C1C(=O)CC(C)(C)CC1=O)C2=C(O)CC(C)(C)CC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C09 compound treatment -0.125 0.00441 0.01 -0.485 -0.414 -0.82 -0.037 0.013061435973353 0.0251566807138115 -0.4533 -0.5549 3081440 TimTec1_000053 CCNC(=O)c1ccc(Cl)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C10 compound treatment 0.016 0.145 0.21 -0.081 -0.00956 -0.02 0.432 0.482061435973353 0.928463428826962 0.6445 0.6774 3209597 TimTec1_000054 Cc1cc[n+](CCOc2ccc(N)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C11 compound treatment -0.279 -0.15 -0.21 0.186 0.257 0.51 0.0 0.050061435973353 0.096419686428495 0.2263 0.4046 1677737 TimTec1_000055 CCCCC(=O)N1C(C)CC(Nc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C12 compound treatment -0.118 0.0114 0.02 -0.029 0.0424 0.08 -0.058 -0.00793856402664701 -0.015289890097225 0.0489 0.5641 3081441 TimTec1_000056 CCOC(=O)CCCc1ccc(/C=C/C(=O)O)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C13 compound treatment -1.034 -0.905 -1.29 -0.889 -0.818 -1.61 -0.212 -0.161938564026647 -0.311898076044827 -1.8546 -0.8885 3081442 TimTec1_000057 COC(=O)c1nsc(Cl)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C14 compound treatment -0.3 -0.171 -0.24 -0.169 -0.0976 -0.19 -0.397 -0.346938564026647 -0.668213104618244 -0.637 -0.865 1003566 TimTec1_000058 S=C(Nc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C15 compound treatment -0.853 -0.724 -1.03 -1.127 -1.06 -2.08 -0.677 -0.626938564026647 -1.20750071543206 -2.4944 -0.9524 1060631 TimTec1_000059 COC(=O)C1=NNC(C1)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C16 compound treatment -0.891 -0.762 -1.08 -0.32 -0.249 -0.49 -0.18 -0.129938564026647 -0.250265206237533 -1.053 -0.8667 3081443 TimTec1_000060 CN(C)/C=C(\C=[N+](C)C)/c1n[nH]cc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C17 compound treatment -1.143 -1.01 -1.44 -0.774 -0.703 -1.39 -0.5 -0.449938564026647 -0.866593904310471 -2.1333 -0.9786 1149044 TimTec1_000061 Cc1cc(Cl)c(C(=O)N)c(C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C18 compound treatment -0.287 -0.158 -0.22 -0.7 -0.629 -1.24 -0.279 -0.228938564026647 -0.440941897203848 -1.1005 -0.8237 1602135 TimTec1_000062 CN1CCc2c(C1)c3cc(C)ccc3n2CCc4ccncc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C19 compound treatment 0.924 1.05 1.5 0.542 0.613 1.21 0.246 0.296061435973353 0.570222373072066 1.8932 0.9425 3081444 TimTec1_000063 CCN1CCN(CC1)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C20 compound treatment -0.348 -0.219 -0.31 -0.492 -0.421 -0.83 -0.022 0.028061435973353 0.0540470884359805 -0.6277 -0.7066 1241763 TimTec1_000064 Oc1ccc2occ(C(=O)c3cccs3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C21 compound treatment -0.417 -0.288 -0.41 -0.423 -0.352 -0.69 -0.3 -0.249938564026647 -0.481388468014885 -0.9148 -0.9747 3081445 TimTec1_000065 Nc1nnnn1/N=C\2/C(=O)Nc3ccc(Br)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C22 compound treatment -0.477 -0.348 -0.49 -0.589 -0.518 -1.02 -0.75 -0.699938564026647 -1.34810069967995 -1.6537 -0.9383 1336111 TimTec1_000066 COC(=O)CCc1[nH]c2ccccc2c1Sc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C23 mock treatment 0.141 0.27 0.38 0.273 0.344 0.68 0.333 0.383061435973353 0.737786737860646 1.0406 0.9684 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 C24 mock treatment -0.403 -0.274 -0.39 -0.088 -0.0166 -0.03 0.045 0.095061435973353 0.183090909595002 -0.1378 -0.3195 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D01 compound treatment -0.66 -0.531 -0.75 -0.045 0.0264 0.05 0.116 0.166061435973353 0.319838839479935 -0.2207 -0.2689 1420975 TimTec1_000067 CSc1c(CC(=O)Nc2ccc(C)cc2)[nH]c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D02 compound treatment 1.224 1.35 1.74 1.055 1.13 2.17 0.222 0.272061435973353 0.523997720716596 2.5572 0.9046 3209598 TimTec1_000068 OC(=O)CCCC=C(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D03 compound treatment -0.956 -0.827 -1.18 -0.984 -0.913 -1.8 -0.638 -0.587938564026647 -1.13238565535443 -2.3726 -0.9759 3209599 TimTec1_000069 Cc1[nH]c2ccccc2c1/C=N/CCc3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D04 compound treatment -0.714 -0.585 -0.83 -0.676 -0.605 -1.19 -0.435 -0.384938564026647 -0.741402137514405 -1.5971 -0.9782 3081446 TimTec1_000070 Brc1ccc(OC(=O)c2ccco2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D05 compound treatment -0.603 -0.474 -0.67 -0.514 -0.443 -0.87 -0.311 -0.260938564026647 -0.502574767011142 -1.1834 -0.9762 3081447 TimTec1_000071 CCC(=O)n1c(SC)nc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D06 compound treatment -0.026 0.103 0.15 0.331 0.402 0.79 -0.551 -0.500938564026647 -0.964821290565845 -0.0134 -0.0106 3209600 TimTec1_000072 Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D07 compound treatment 0.043 0.172 0.25 0.06 0.131 0.26 0.142 0.192061435973353 0.369915546198361 0.5049 0.9822 3081448 TimTec1_000073 CCCc1ccc(s1)/C(=N/O)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D08 compound treatment -0.691 -0.562 -0.8 -0.557 -0.486 -0.96 -0.466 -0.415938564026647 -0.801108980140221 -1.477 -0.9962 3209601 TimTec1_000074 CCOC(=O)CCSc1ccccn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D09 compound treatment 0.235 0.364 0.52 -0.068 0.00344 0.01 -0.123 -0.072938564026647 -0.140481656893291 0.2219 0.4134 1380002 TimTec1_000075 CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(OC)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D10 compound treatment -0.06 0.0694 0.1 0.065 0.136 0.27 0.889 0.939061435973353 1.80865785076238 1.2567 0.6863 3081452 TimTec1_000076 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(Cl)cc4Cl)C(=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D11 compound treatment 0.386 0.515 0.73 0.089 0.16 0.32 0.074 0.124061435973353 0.238945697857862 0.7439 0.8927 1674072 TimTec1_000077 Cn1c(CC(=O)O)c(c2ccccc12)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D12 compound treatment 0.051 0.18 0.26 0.324 0.395 0.78 0.25 0.300061435973353 0.577926481797978 0.9326 0.9282 1452087 TimTec1_000078 CCSc1nnc-2c(OC(Nc3ccccc32)C(=O)c4ccccc4)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D13 compound treatment -1.848 -1.72 -2.44 -0.771 -0.7 -1.38 -0.227 -0.176938564026647 -0.340788483766996 -2.405 -0.8506 1648799 TimTec1_000079 C(CN1CCN(CCSc2ccccc2)CC1)Sc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D14 compound treatment -0.977 -0.848 -1.21 -1.39 -1.32 -2.6 -0.581 -0.530938564026647 -1.02260210601018 -2.7893 -0.9158 1276972 TimTec1_000080 Clc1ccccc1CN(Cc2cccnc2)C(=S)NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D15 compound treatment -0.222 -0.0926 -0.13 -0.424 -0.353 -0.7 0.125 0.175061435973353 0.337173084113236 -0.2833 -0.361 1186617 TimTec1_000081 Cc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D16 compound treatment -0.833 -0.704 -1.0 -0.431 -0.36 -0.71 -0.407 -0.356938564026647 -0.687473376433023 -1.3844 -0.9845 1357113 TimTec1_000082 CC1Oc2ccccc2OC1(O)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D17 compound treatment -1.448 -1.32 -1.87 -0.718 -0.647 -1.28 -0.81 -0.759938564026647 -1.46366233056863 -2.6645 -0.9871 3081458 TimTec1_000083 Brc1ccccc1NCn2nc(oc2=S)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D18 compound treatment -0.373 -0.244 -0.35 -0.448 -0.377 -0.74 -0.095 -0.044938564026647 -0.0865528958119085 -0.6792 -0.8235 3209728 TimTec1_000084 Fc1ccccc1OC(=O)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D19 compound treatment 0.027 0.156 0.22 0.038 0.109 0.22 0.293 0.343061435973353 0.660745650601529 0.6346 0.8695 1270584 TimTec1_000085 Cc1ccc(cc1)S(=O)(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D20 compound treatment -0.018 0.111 0.16 0.273 0.344 0.68 0.279 0.329061435973353 0.633781270060838 0.85 0.9014 3081461 TimTec1_000086 FC(F)(F)c1cccc(c1)c2ccc(/C=N\C3CCS(=O)(=O)C3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D21 compound treatment 0.132 0.261 0.37 -0.102 -0.0306 -0.06 0.087 0.137061435973353 0.263984051217075 0.3322 0.7223 1450123 TimTec1_000087 CCOC(=O)c1c(C)n(c2cccc(C)c2)c3ccc(O)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D22 compound treatment -0.2 -0.0706 -0.1 -0.583 -0.512 -1.01 -0.151 -0.100938564026647 -0.194410417974673 -0.7534 -0.7289 3209729 TimTec1_000088 Cc1cccc(c1)C2Sc3ccccc3N=C4C2C(=O)c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D23 mock treatment 0.412 0.541 0.77 0.4 0.471 0.93 0.061 0.111061435973353 0.213907344498649 1.1054 0.9011 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 D24 mock treatment 0.125 0.254 0.36 0.014 0.0854 0.17 0.03 0.080061435973353 0.154200501872833 0.3953 0.9238 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E01 compound treatment -0.289 -0.16 -0.23 0.464 0.535 1.06 0.554 0.604061435973353 1.16343874496727 1.1511 0.7247 3209730 TimTec1_000089 CSc1ccccc1NC(=O)c2cc3NC4C(CCc5ccccc45)C(n3n2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E02 compound treatment -0.177 -0.0476 -0.07 -0.171 -0.0996 -0.2 0.26 0.310061435973353 0.597186753612757 0.1922 0.304 3081503 TimTec1_000090 Nc1c(C#N)c(cc(c1C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E03 compound treatment -0.949 -0.82 -1.17 -0.661 -0.59 -1.16 -0.205 -0.154938564026647 -0.298415885774481 -1.5172 -0.9063 3081507 TimTec1_000091 Cc1c(Br)c(nn1CC(=O)N2CCOCC2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E04 compound treatment -1.127 -0.998 -1.42 -1.057 -0.986 -1.95 -1.247 -1.19693856402665 -2.30533620887449 -3.2734 -0.9819 1912602 TimTec1_000092 Brc1cccc(c1)C2C3CCCCC3=C(C#N)C(=O)C2(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E05 compound treatment -0.366 -0.237 -0.34 -0.638 -0.567 -1.12 -0.608 -0.557938564026647 -1.07460483991009 -1.4605 -0.9201 3209731 TimTec1_000093 C[N+](C)(C)CC1CCCC1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E06 compound treatment -1.036 -0.907 -1.29 -0.729 -0.658 -1.3 -0.562 -0.511938564026647 -0.986007589562103 -2.0631 -0.9927 3081510 TimTec1_000094 [N-]=[N+]=NCc1noc(n1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E07 compound treatment 0.083 0.212 0.3 -0.085 -0.0136 -0.03 0.103 0.153061435973353 0.294800486120722 0.3291 0.7782 1182023 TimTec1_000095 CCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E08 compound treatment -0.195 -0.0656 -0.09 -0.56 -0.489 -0.96 -0.195 -0.144938564026647 -0.279155613959702 -0.772 -0.7654 3081512 TimTec1_000096 O=C(NCC[n+]1ccc2ccccc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E09 compound treatment 0.07 0.199 0.28 0.0 0.0714 0.14 -0.2 -0.149938564026647 -0.288785749867091 0.0784 0.1829 1029436 TimTec1_000097 OC(=O)CCC(=O)Oc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E10 compound treatment -1.793 -1.66 -2.37 -0.532 -0.461 -0.91 -2.237 -2.18693856402665 -4.21210311853764 -4.3225 -0.8793 3209732 TimTec1_000098 Nc1ccc(OCC(O)C[n+]2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E11 compound treatment 0.43 0.559 0.8 -0.069 0.00244 0.0 0.146 0.196061435973353 0.377619654924273 0.68 0.7723 3081515 TimTec1_000099 O=C(Nc1cccc(NC(=O)/C=C/c2ccco2)n1)/C=C/c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E12 compound treatment -0.09 0.0394 0.06 -0.155 -0.0836 -0.16 0.028 0.078061435973353 0.150348447509877 0.0239 0.1038 1009007 TimTec1_000100 CCCC(=O)NCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E13 compound treatment -0.476 -0.347 -0.49 -0.632 -0.561 -1.11 -0.453 -0.402938564026647 -0.776070626781008 -1.3716 -0.9533 1705451 TimTec1_000101 CC1C2COCC2CC(C1O)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E14 compound treatment -0.618 -0.489 -0.69 -0.712 -0.641 -1.26 -0.542 -0.491938564026647 -0.947487045932544 -1.6783 -0.9722 1074947 TimTec1_000102 Cc1ccc[n+](Cc2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E15 compound treatment -1.562 -1.43 -2.04 -1.656 -1.58 -3.13 -2.114 -2.06393856402665 -3.97520177521585 -5.2774 -0.9677 1394494 TimTec1_000103 Nc1ccc(c2nc3cc(Cl)ccc3o2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E16 compound treatment -0.795 -0.666 -0.95 -0.545 -0.474 -0.94 -0.857 -0.806938564026647 -1.55418560809809 -1.9835 -0.9696 3209733 TimTec1_000104 CN(C)/C=C(\C=[N+](C)C)/c1cc([nH]n1)\C(=C/N(C)C)\C=[N+](C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E17 compound treatment -0.452 -0.323 -0.46 0.079 0.15 0.3 -0.347 -0.296938564026647 -0.571911745544347 -0.4235 -0.5354 3081522 TimTec1_000105 Oc1ccc(Cl)cc1/N=C/c2ccc(o2)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E18 compound treatment -0.323 -0.194 -0.28 -0.437 -0.366 -0.72 -0.453 -0.402938564026647 -0.776070626781008 -1.0237 -0.9349 1633318 TimTec1_000106 Oc1ccc2occ(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E19 compound treatment -0.121 0.00841 0.01 0.244 0.315 0.62 0.315 0.365061435973353 0.703118248594043 0.7724 0.8223 1221609 TimTec1_000107 CCOC(=O)C1(COC(=O)C1)c2csc(N)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E20 compound treatment 0.05 0.179 0.26 -0.314 -0.243 -0.48 -0.136 -0.085938564026647 -0.165520010252504 -0.2248 -0.3963 1365512 TimTec1_000108 CSc1c(CC(=O)NCCc2ccccc2)n(C)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E21 compound treatment -0.329 -0.2 -0.28 -0.088 -0.0166 -0.03 -0.039 0.011061435973353 0.0213046263508557 -0.1704 -0.5949 3081562 TimTec1_000109 Cc1c(/C=N/c2cccc3nsnc23)c(O)n4c5ccccc5nc4c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E22 compound treatment -0.495 -0.366 -0.52 -0.378 -0.307 -0.61 -0.837 -0.786938564026647 -1.51566506446853 -1.5246 -0.8901 1408177 TimTec1_000110 O=C(CCN1CCCCC1)c2cc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E23 mock treatment 0.628 0.757 1.08 0.035 0.106 0.21 0.376 0.426061435973353 0.820605906664197 1.2168 0.8881 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 E24 mock treatment 0.0 0.129 0.18 0.131 0.202 0.4 0.042 0.092061435973353 0.177312828050568 0.4394 0.9261 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F01 compound treatment -0.036 0.0934 0.13 -0.345 -0.274 -0.54 0.141 0.191061435973353 0.367989519016883 -0.0227 -0.0341 1212077 TimTec1_000111 CCOC(=O)c1cc2ccccc2nc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F02 compound treatment -0.609 -0.48 -0.68 -0.297 -0.226 -0.45 -0.096 -0.045938564026647 -0.0884789229933864 -0.7019 -0.8568 3209734 TimTec1_000112 C=CCNC(=O)CC1CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F03 compound treatment -0.472 -0.343 -0.49 -0.254 -0.183 -0.36 -0.158 -0.107938564026647 -0.207892608245018 -0.6094 -0.9512 3209735 TimTec1_000113 COc1ccc(O)c(c1)c2c[nH]c(=S)nc2c3cc(OC)ccc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F04 compound treatment -0.379 -0.25 -0.35 -0.38 -0.309 -0.61 -0.128 -0.077938564026647 -0.15011179280068 -0.6433 -0.8924 1743325 TimTec1_000114 COc1ccc2nc3-c4cccc5cccc(-c3nc2c1)c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F05 compound treatment -1.0 -0.871 -1.24 -0.607 -0.536 -1.06 -0.203 -0.152938564026647 -0.294563831411525 -1.4952 -0.9038 2104259 TimTec1_000115 Brc1cccc(c1)c2n[nH]c(=O)[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F06 compound treatment -0.224 -0.0946 -0.13 0.096 0.167 0.33 0.814 0.864061435973353 1.66420581215153 1.0741 0.631 1644388 TimTec1_000116 O=S(=O)(CCc1ccncc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F07 compound treatment -0.934 -0.805 -1.14 -0.5 -0.429 -0.85 -0.521 -0.470938564026647 -0.907040475121507 -1.6727 -0.9913 1066566 TimTec1_000117 Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F08 compound treatment -0.016 0.113 0.16 0.583 0.654 1.29 -0.246 -0.195938564026647 -0.377383000215076 0.6213 0.4582 1595822 TimTec1_000118 Nc1ccc(cc1)C(=O)NCC2CCCN3CCCCC23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F09 compound treatment -0.524 -0.395 -0.56 -1.179 -1.11 -2.19 -0.614 -0.563938564026647 -1.08616100299896 -2.2136 -0.8835 3209736 TimTec1_000119 CN(C)Cc1c(C#N)c2ccccc2n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F10 compound treatment -0.073 0.0564 0.08 -1.254 -1.18 -2.33 -0.793 -0.742938564026647 -1.4309198684835 -2.1279 -0.7767 3081571 TimTec1_000120 Cc1c(O)n(nc1/C=N/n2cnnc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F11 compound treatment 0.341 0.47 0.67 0.066 0.137 0.27 -0.294 -0.243938564026647 -0.469832304926017 0.2716 0.3153 3209737 TimTec1_000121 Oc1ccc(cc1)n2cccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F12 compound treatment -0.212 -0.0826 -0.12 -0.016 0.0554 0.11 0.042 0.092061435973353 0.177312828050568 0.0978 0.4088 1378112 TimTec1_000122 CC(C)(C)C(=O)c1sc2nc3CCCc3c(c4cccs4)c2c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F13 compound treatment -1.959 -1.83 -2.6 -2.806 -2.73 -5.4 -0.431 -0.380938564026647 -0.733698028788494 -5.0428 -0.8352 1389415 TimTec1_000123 Clc1cccc(OCCN2CCOCC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F14 compound treatment -0.988 -0.859 -1.22 0.433 0.504 1.0 0.278 0.328061435973353 0.63185524287936 0.2351 0.1385 3209738 TimTec1_000124 COc1ccc(C/N=C/C2C(=O)N(N=C2C(F)(F)F)c3nc4ccccc4s3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F15 compound treatment -0.66 -0.531 -0.75 -0.576 -0.505 -1.0 -0.306 -0.255938564026647 -0.492944631103752 -1.2953 -0.9642 1562364 TimTec1_000125 CN1CCN(CCOc2ccccc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F16 compound treatment -0.379 -0.25 -0.35 0.127 0.198 0.39 -0.419 -0.368938564026647 -0.710585702610758 -0.3889 -0.4391 1380422 TimTec1_000126 Brc1ccccc1OCc2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F17 compound treatment -0.672 -0.543 -0.77 -0.153 -0.0816 -0.16 -0.029 0.021061435973353 0.040564898165635 -0.515 -0.6526 1337811 TimTec1_000127 COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F18 compound treatment -0.164 -0.0346 -0.05 0.365 0.436 0.86 0.038 0.088061435973353 0.169608719324656 0.5671 0.6446 3209739 TimTec1_000128 O=C(/C=C/C(=O)c1ccccc1)N2c3ccccc3Sc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F19 compound treatment -0.062 0.0674 0.1 -0.224 -0.153 -0.3 -0.014 0.036061435973353 0.069455305887804 -0.0785 -0.2425 1683844 TimTec1_000129 CC1(C)CC(C)(c2ccccc2)c3cc(SC#N)ccc3N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F20 compound treatment 0.0 0.129 0.18 0.115 0.186 0.37 -0.162 -0.111938564026647 -0.21559671697093 0.1943 0.4182 1442200 TimTec1_000130 CC1CCN(CC(O)COc2c(F)cc(Br)cc2F)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F21 compound treatment 0.027 0.156 0.22 -0.344 -0.273 -0.54 -0.28 -0.229938564026647 -0.442867924385326 -0.438 -0.5987 1404864 TimTec1_000131 OCCN(CCO)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F22 compound treatment -0.05 0.0794 0.11 -0.683 -0.612 -1.21 -0.506 -0.455938564026647 -0.878150067399338 -1.139 -0.7607 1413355 TimTec1_000132 CSC1=NC2(CCCCC2)NC3=C1CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F23 mock treatment 0.65 0.779 1.11 0.395 0.466 0.92 0.208 0.258061435973353 0.497033340175905 1.4585 0.9569 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 F24 mock treatment 0.397 0.526 0.75 -0.032 0.0394 0.08 0.116 0.166061435973353 0.319838839479935 0.6617 0.8093 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G01 compound treatment -0.87 -0.741 -1.05 -0.535 -0.464 -0.92 -1.333 -1.28293856402665 -2.47097454648159 -2.563 -0.9032 1746897 TimTec1_000133 CC1Cc2ccccc2N1C(=O)c3cccc(n3)C(=O)N4C(C)Cc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G02 compound treatment -1.0 -0.871 -1.24 -0.818 -0.747 -1.47 -0.68 -0.629938564026647 -1.2132787969765 -2.2662 -0.996 1210571 TimTec1_000134 CCOC(=O)C1(C#N)C(C=C(C(=C1N)C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G03 compound treatment -0.476 -0.347 -0.49 0.045 0.116 0.23 -0.092 -0.041938564026647 -0.0807748142674747 -0.1984 -0.3609 1738871 TimTec1_000135 O=C(C1CC1(c2ccccc2)c3ccccc3)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G04 compound treatment -1.297 -1.17 -1.66 -0.766 -0.695 -1.37 -0.7 -0.649938564026647 -1.25179934060606 -2.473 -0.9929 1495985 TimTec1_000136 CC(C)Cc1cc(c(C#N)c(N)n1)c2cccc(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G05 compound treatment -2.444 -2.31 -3.29 -2.032 -1.96 -3.87 -1.123 -1.07293856402665 -2.06650883837122 -5.3281 -0.9714 1728047 TimTec1_000137 CC(C)(C)c1cc(CCC(=O)NCCN)cc(c1O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G06 compound treatment 0.282 0.411 0.58 -0.729 -0.658 -1.3 -0.422 -0.371938564026647 -0.716363784155192 -0.8255 -0.5179 1006115 TimTec1_000138 CCN(CC)C1CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G07 compound treatment -0.312 -0.183 -0.26 -0.565 -0.494 -0.97 0.277 0.327061435973353 0.629929215697882 -0.3488 -0.2934 1442213 TimTec1_000139 CN(C)c1nc(Cl)nc(n1)N(CN2C(=O)c3ccccc3C2=O)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G08 compound treatment -0.406 -0.277 -0.39 0.094 0.165 0.33 0.054 0.104061435973353 0.200425154228303 0.0773 0.1407 1391498 TimTec1_000140 Cc1nc2n(C)c(=O)n(C)c(=O)c2cc1C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G09 compound treatment 0.197 0.326 0.46 0.563 0.634 1.25 -0.105 -0.054938564026647 -0.105813167626688 0.9301 0.6941 1225682 TimTec1_000141 CC(C)Nc1nc(NC(C)C)nc(n1)N(C)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G10 compound treatment -0.507 -0.378 -0.54 -0.662 -0.591 -1.17 -1.617 -1.56693856402665 -3.01796626602132 -2.7256 -0.8311 1485808 TimTec1_000142 Cc1cccc(C[N+](C)(C)CCC(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G11 compound treatment -0.431 -0.302 -0.43 -0.506 -0.435 -0.86 -1.107 -1.05693856402665 -2.03569240346758 -1.9183 -0.8524 1186157 TimTec1_000143 CC12CCCCC2=NC(N1O)c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G12 compound treatment -0.072 0.0574 0.08 0.015 0.0864 0.17 0.06 0.110061435973353 0.211981317317171 0.2681 0.9434 1025931 TimTec1_000144 Cc1ccc(cc1)S(=O)(=O)NCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G13 compound treatment -0.396 -0.267 -0.38 -0.243 -0.172 -0.34 -0.091 -0.040938564026647 -0.0788487870859968 -0.4599 -0.8941 1323961 TimTec1_000145 S=C(CC(=S)N1CCOCC1)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G14 compound treatment -0.386 -0.257 -0.36 -0.235 -0.164 -0.32 -0.229 -0.178938564026647 -0.344640538129951 -0.5961 -0.9988 3209861 TimTec1_000146 CC(=O)NC1CCCCc2sccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G15 compound treatment -2.841 -2.71 -3.86 -2.795 -2.72 -5.38 -2.357 -2.30693856402665 -4.44322638031499 -7.896 -0.9907 1288570 TimTec1_000147 CCCC(CCC)c1nc2ccncc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G16 compound treatment -0.185 -0.0556 -0.08 0.424 0.495 0.98 0.271 0.321061435973353 0.618373052609015 0.8762 0.7553 3209862 TimTec1_000148 OC1=C(C2C3C(CCCC3=O)Oc4ccccc24)C(=O)CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G17 compound treatment -1.081 -0.952 -1.35 -1.161 -1.09 -2.15 -1.091 -1.04093856402665 -2.00487596856393 -3.1807 -0.9826 3081632 TimTec1_000149 OC(=O)CCC/N=C(\c1ccc(Cl)cc1)/c2cc(F)ccc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G18 compound treatment 0.025 0.154 0.22 0.18 0.251 0.5 -0.015 0.035061435973353 0.067529278706326 0.4524 0.827 1713094 TimTec1_000150 CN(C)Cc1c(O)ccc2occ(C(=O)c3cccc(Br)c3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G19 compound treatment -0.209 -0.0796 -0.11 -0.554 -0.483 -0.95 -0.461 -0.410938564026647 -0.791478844232832 -1.0724 -0.8622 3081667 TimTec1_000151 CCCC1CC(C)(OC1=O)C(=O)C[n+]2cccc(c2)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G20 compound treatment 0.338 0.467 0.66 -0.484 -0.413 -0.81 0.076 0.126061435973353 0.242797752220818 0.0535 0.0496 1405391 TimTec1_000152 COc1ccc(OC)c(c1)C(=O)c2coc3ccc(O)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G21 compound treatment 0.69 0.819 1.17 0.611 0.682 1.35 0.778 0.828061435973353 1.59486883361833 2.3714 0.9918 3081670 TimTec1_000153 CC(C)C1(CN2CC/3CN(C1)CC2)\C3=N/N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G22 compound treatment 0.324 0.453 0.64 -1.532 -1.46 -2.88 -1.0 -0.949938564026647 -1.82960749504944 -2.3492 -0.6759 1185154 TimTec1_000154 CCOC(=O)Cn1c(C)c(Sc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G23 mock treatment 0.138 0.267 0.38 -0.553 -0.482 -0.95 0.173 0.223061435973353 0.429622388824177 -0.0814 -0.0733 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 G24 mock treatment 0.091 0.22 0.31 -0.085 -0.0136 -0.03 -0.077 -0.026938564026647 -0.0518844065453057 0.1355 0.4251 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H01 compound treatment -1.136 -1.01 -1.43 -0.393 -0.322 -0.63 0.131 0.181061435973353 0.348729247202104 -0.9915 -0.6181 1114526 TimTec1_000155 NC(=O)c1ccccc1C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H02 compound treatment -0.778 -0.649 -0.92 -0.519 -0.448 -0.88 -0.371 -0.320938564026647 -0.618136397899818 -1.3995 -0.9863 3209863 TimTec1_000156 CC(C)c1ccc(cc1)C(C)(C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H03 compound treatment -1.562 -1.43 -2.04 -1.194 -1.12 -2.22 -0.385 -0.334938564026647 -0.645100778440509 -2.8281 -0.9186 1440514 TimTec1_000157 COc1ccccc1OCCN2CCN(CC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H04 compound treatment -1.692 -1.56 -2.22 -1.413 -1.34 -2.65 -0.5 -0.449938564026647 -0.866593904310471 -3.3124 -0.9293 3081674 TimTec1_000158 Cc1c(/C=C/c2ccc(Cl)cc2Cl)c(=O)n(c3ccccc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H05 compound treatment -0.833 -0.704 -1.0 0.483 0.554 1.09 -0.143 -0.092938564026647 -0.179002200522849 -0.0488 -0.0327 3209864 TimTec1_000159 COc1ccc(Br)c2OCCOc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H06 compound treatment -0.221 -0.0916 -0.13 -1.741 -1.67 -3.3 -1.266 -1.21593856402665 -2.34193072532257 -3.3306 -0.8232 3209865 TimTec1_000160 COc1ccc(NC(=O)CC(=O)CSc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H07 compound treatment 0.092 0.221 0.31 0.326 0.397 0.78 -0.039 0.011061435973353 0.0213046263508557 0.6471 0.7651 1282382 TimTec1_000161 CN1CCN(Cc2c(C#N)c3ccccc3n2C)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H08 compound treatment -0.786 -0.657 -0.93 -0.712 -0.641 -1.26 -0.28 -0.229938564026647 -0.442867924385326 -1.5249 -0.9337 1156260 TimTec1_000162 O=C(CSc1nc2ccccc2o1)Nc3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H09 compound treatment 0.233 0.362 0.52 -0.527 -0.456 -0.9 -0.278 -0.227938564026647 -0.43901587002237 -0.4753 -0.4222 1296268 TimTec1_000163 Cn1c(CN2CCOCC2)c(C#N)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H10 compound treatment -1.673 -1.54 -2.19 -0.477 -0.406 -0.8 -1.114 -1.06393856402665 -2.04917459373792 -2.9125 -0.9372 1566355 TimTec1_000164 C1CCC(CC1)Nc2c(nnn2C3CCCCC3)c4ccn[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H11 compound treatment -0.283 -0.154 -0.22 0.167 0.238 0.47 0.0 0.050061435973353 0.096419686428495 0.2014 0.3816 3081679 TimTec1_000165 CNC(=O)CCc1cc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H12 compound treatment -0.069 0.0604 0.09 -0.027 0.0444 0.09 -0.141 -0.090938564026647 -0.175150146159893 -9.0E-4 -0.0041 1429944 TimTec1_000166 NC(=S)c1cnc2ccccn2c1=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H13 compound treatment -0.156 -0.0266 -0.04 0.04 0.111 0.22 0.19 0.240061435973353 0.462364850909302 0.3722 0.7248 1210033 TimTec1_000167 O=C(CCN1CCN(CC1)c2ccccc2)Nc3nccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H14 compound treatment -1.0 -0.871 -1.24 -0.941 -0.87 -1.72 -0.552 -0.501938564026647 -0.966747317747323 -2.2641 -0.973 3209866 TimTec1_000168 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/CCN4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H15 compound treatment -0.725 -0.596 -0.85 -0.867 -0.796 -1.57 -0.345 -0.294938564026647 -0.568059691181391 -1.7238 -0.9204 3081684 TimTec1_000169 COc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H16 compound treatment -1.021 -0.892 -1.27 -1.051 -0.98 -1.93 -0.746 -0.695938564026647 -1.34039659095404 -2.6224 -0.9811 3209867 TimTec1_000170 C[n+]1c(COc2ccccc2O)sc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H17 compound treatment -0.283 -0.154 -0.22 -0.453 -0.382 -0.75 -0.254 -0.203938564026647 -0.3927912176669 -0.7878 -0.8981 1912978 TimTec1_000171 CC(=O)N1c2ccccc2C(C)(CC1(C)C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H18 compound treatment 0.213 0.342 0.49 -0.625 -0.554 -1.09 -0.062 -0.011938564026647 -0.0229939988231368 -0.3633 -0.3035 3081687 TimTec1_000172 Cn1ccnc1C(=O)Oc2ccccc2F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H19 compound treatment -0.113 0.0164 0.02 -0.127 -0.0556 -0.11 -0.227 -0.176938564026647 -0.340788483766996 -0.2466 -0.6874 1280653 TimTec1_000173 CC1=CC(C)(C)N(c2ccccc12)S(=O)(=O)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H20 compound treatment -0.746 -0.617 -0.88 -0.667 -0.596 -1.18 -0.169 -0.118938564026647 -0.229078907241275 -1.3173 -0.8874 3209868 TimTec1_000174 O=c1[nH]c2ccc(/N=C/c3ccc4OCOc4c3)cc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H21 compound treatment 0.271 0.4 0.57 -0.513 -0.442 -0.87 -0.263 -0.212938564026647 -0.410125462300201 -0.4115 -0.3677 3081729 TimTec1_000175 Nc1no[n+]([O-])c1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H22 compound treatment -0.731 -0.602 -0.86 -0.649 -0.578 -1.14 -1.057 -1.00693856402665 -1.93939104439368 -2.2719 -0.9439 3081731 TimTec1_000176 CCOc1ccc2S/C(=C/NC(C)CC)/C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H23 mock treatment 0.288 0.417 0.59 0.024 0.0954 0.19 0.015 0.065061435973353 0.125310094150664 0.5238 0.8247 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 H24 mock treatment -0.068 0.0614 0.09 0.055 0.126 0.25 -0.177 -0.126938564026647 -0.244487124693099 0.0534 0.1482 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I01 compound treatment -0.257 -0.128 -0.18 -0.14 -0.0686 -0.14 -0.015 0.035061435973353 0.067529278706326 -0.1439 -0.6092 1160113 TimTec1_000177 Cc1ccccc1OCC(=O)Nc2ccc3nn(nc3c2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I02 compound treatment -0.906 -0.777 -1.1 -0.985 -0.914 -1.8 -0.51 -0.459938564026647 -0.88585417612525 -2.1904 -0.9553 1912584 TimTec1_000178 Nc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I03 compound treatment -0.913 -0.784 -1.11 -0.75 -0.679 -1.34 -1.164 -1.11393856402665 -2.14547595281182 -2.6555 -0.9608 3081734 TimTec1_000179 COC(=O)CCC(=O)Nc1nccs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I04 compound treatment -0.47 -0.341 -0.48 -0.341 -0.27 -0.53 -0.131 -0.080938564026647 -0.155889874345114 -0.6769 -0.9193 1175548 TimTec1_000180 CC(=O)Nc1nc(cc(c1C#N)c2ccccc2)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I05 compound treatment 1.479 1.61 1.86 0.405 0.476 0.94 0.557 0.607061435973353 1.1692168265117 2.2933 0.9589 1060191 TimTec1_000181 S=C1N(CN2CCCCC2)CCN1CN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I06 compound treatment 0.2 0.329 0.47 -0.531 -0.46 -0.91 -0.346 -0.295938564026647 -0.569985718362869 -0.5826 -0.4982 3209869 TimTec1_000182 CC[N+](C)(CC)Cc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I07 compound treatment -0.196 -0.0666 -0.09 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 0.0824 0.4221 3209870 TimTec1_000183 Cc1cc(NN)nc(SCC(=O)NN)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I08 compound treatment -0.225 -0.0956 -0.14 -0.255 -0.184 -0.36 -0.412 -0.361938564026647 -0.697103512340413 -0.6902 -0.8656 1289525 TimTec1_000184 C[N+]1(CC(O)C[N+]2(C)CCCCC2)CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I09 compound treatment -0.192 -0.0626 -0.09 -0.034 0.0374 0.07 -0.135 -0.084938564026647 -0.163593983071026 -0.1032 -0.5148 1505713 TimTec1_000185 C1=C(N=C2C=Cc3nonc3C12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I10 compound treatment -0.786 -0.657 -0.93 -0.654 -0.583 -1.15 -1.691 -1.64093856402665 -3.16049227745069 -3.0278 -0.8674 1080215 TimTec1_000186 OP(=O)(Nc1ccccc1)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I11 compound treatment 0.144 0.273 0.39 -1.368 -1.3 -2.56 -1.329 -1.27893856402665 -2.46327043775568 -2.6758 -0.7487 3209871 TimTec1_000187 Cc1c(Br)c(nn1CC(=O)N)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I12 compound treatment 0.014 0.143 0.2 0.047 0.118 0.23 0.1 0.150061435973353 0.289022404576288 0.4196 0.9896 1668354 TimTec1_000188 O=C(N1CCCCC1)c2ccccc2C(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I13 compound treatment -0.493 -0.364 -0.52 -0.463 -0.392 -0.77 -0.123 -0.072938564026647 -0.140481656893291 -0.8259 -0.8781 1230919 TimTec1_000189 CN(C)CCNc1nc(no1)c2noc(NCCN(C)C)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I14 compound treatment 1.024 1.15 1.62 0.164 0.235 0.46 0.032 0.082061435973353 0.158052556235789 1.2957 0.7649 1641088 TimTec1_000190 C[N+]1(CC(O)CN2CCCC2=O)CCCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I15 compound treatment 1.831 1.96 2.0 1.076 1.15 2.19 0.671 0.721061435973353 1.38878392520019 3.2186 0.9836 1479834 TimTec1_000191 CC1(C)CC(CC(C)(C)N1)NC(=O)N2c3ccccc3CCc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I16 compound treatment -0.446 -0.317 -0.45 -0.169 -0.0976 -0.19 -0.532 -0.481938564026647 -0.928226774117765 -0.907 -0.8643 3209872 TimTec1_000192 CCOC(=O)C1(C#N)C(C#N)(C(=O)OCC)C1(C#N)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I17 compound treatment 0.204 0.333 0.47 0.972 1.04 2.06 0.298 0.348061435973353 0.670375786508919 1.8502 0.8342 1350657 TimTec1_000193 COc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I18 compound treatment -0.653 -0.524 -0.74 -0.589 -0.518 -1.02 -0.457 -0.406938564026647 -0.78377473550692 -1.4723 -0.9898 1439817 TimTec1_000194 CC(=O)Oc1ccc2occ(C(=O)c3cc4ccccc4o3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I19 compound treatment 0.0 0.129 0.18 -0.643 -0.572 -1.13 -0.042 0.00806143597335299 0.0155265448064219 -0.5364 -0.469 1619809 TimTec1_000195 Nc1nc(cc(c1C#N)c2ccccc2Cl)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I20 compound treatment -0.112 0.0174 0.02 -0.277 -0.206 -0.41 -0.068 -0.017938564026647 -0.0345501619120044 -0.24 -0.5881 1402303 TimTec1_000196 CN(C)CCC(=O)c1coc2ccc(OC(=O)C)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I21 compound treatment -0.057 0.0724 0.1 -0.263 -0.192 -0.38 -0.093 -0.042938564026647 -0.0827008414489526 -0.2067 -0.5159 3209873 TimTec1_000197 C/C(=N\n1nnnc1Nc2ccccc2)/c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I22 compound treatment 0.021 0.15 0.21 -1.343 -1.27 -2.51 -2.095 -2.04493856402665 -3.93860725876777 -3.6001 -0.77 1447918 TimTec1_000198 COC(=O)CCC(=O)c1cc2cc(Br)ccc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I23 mock treatment -1.324 -1.19 -1.7 0.228 0.299 0.59 0.265 0.315061435973353 0.606816889520147 -0.2889 -0.1522 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 I24 mock treatment 0.167 0.296 0.42 0.063 0.134 0.27 -0.029 0.021061435973353 0.040564898165635 0.42 0.8405 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J01 compound treatment -0.931 -0.802 -1.14 -1.083 -1.01 -2.0 -0.443 -0.392938564026647 -0.756810354966229 -2.2481 -0.9286 1078582 TimTec1_000199 NC(=O)c1ccc2ccccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J02 compound treatment -0.443 -0.314 -0.45 -0.292 -0.221 -0.44 -0.247 -0.196938564026647 -0.379309027396554 -0.7278 -0.9976 1032512 TimTec1_000200 O=C1N(CNc2ccccc2)C(=O)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J03 compound treatment 0.481 0.61 0.87 0.754 0.825 1.63 0.324 0.374061435973353 0.720452493227345 1.858 0.9374 1725358 TimTec1_000201 Cc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J04 compound treatment -0.612 -0.483 -0.69 -0.273 -0.202 -0.4 -0.368 -0.317938564026647 -0.612358316355384 -0.9795 -0.9774 1122981 TimTec1_000202 O=C1NC(=O)c2cc(ccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J05 compound treatment -0.875 -0.746 -1.06 -0.69 -0.619 -1.22 -0.222 -0.171938564026647 -0.331158347859606 -1.5084 -0.9137 1020688 TimTec1_000203 Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J06 compound treatment 0.4 0.529 0.75 2.814 2.89 3.08 1.575 1.62506143597335 2.45807186638428 3.6318 0.9053 1386865 TimTec1_000204 COC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J07 compound treatment -0.507 -0.378 -0.54 -0.224 -0.153 -0.3 -0.192 -0.141938564026647 -0.273377532415268 -0.6417 -0.9527 1498066 TimTec1_000205 CC(=O)Nc1c(oc2ccccc12)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J08 compound treatment -0.149 -0.0196 -0.03 0.31 0.381 0.75 0.306 0.356061435973353 0.685784003960742 0.8147 0.7995 1326858 TimTec1_000206 CN1CCc2c(C1)c(nc3[nH]nc(N)c23)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J09 compound treatment -0.289 -0.16 -0.23 -0.623 -0.552 -1.09 -0.566 -0.515938564026647 -0.993711698288014 -1.3335 -0.894 1734489 TimTec1_000207 Cn1c(CSCc2ccccc2)c(C#N)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J10 compound treatment 0.037 0.166 0.24 -0.97 -0.899 -1.77 -0.438 -0.387938564026647 -0.747180219058839 -1.3191 -0.6801 3209874 TimTec1_000208 O/N=C\1/C2CN3CC1(Cc4ccccc4)CN(C2)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J11 compound treatment 0.237 0.366 0.52 -1.27 -1.2 -2.37 -1.635 -1.58493856402665 -3.05263475528792 -2.828 -0.7256 3081797 TimTec1_000209 S(c1ccccn1)c2ncnc3c4ccccc4oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J12 compound treatment -0.281 -0.152 -0.22 -0.108 -0.0366 -0.07 -0.041 0.009061435973353 0.0174525719878998 -0.156 -0.6845 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J13 compound treatment -0.547 -0.418 -0.59 -0.108 -0.0366 -0.07 -0.039 0.011061435973353 0.0213046263508557 -0.3722 -0.6219 3081799 TimTec1_000211 C(Sc1ncnc2c3ccccc3oc12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J14 compound treatment -0.721 -0.592 -0.84 -0.308 -0.237 -0.47 0.0 0.050061435973353 0.096419686428495 -0.6996 -0.7236 3081800 TimTec1_000212 FC(F)(F)c1[nH]n(c2nc3ccccc3s2)c(=O)c1/C=N/Cc4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J15 compound treatment -0.182 -0.0526 -0.07 -0.222 -0.151 -0.3 -0.253 -0.202938564026647 -0.390865190485422 -0.4405 -0.8867 1498770 TimTec1_000213 COc1cc(OC)cc(c1)C(=O)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J16 compound treatment -0.393 -0.264 -0.37 -0.328 -0.257 -0.51 0.014 0.064061435973353 0.123384066969186 -0.4376 -0.6815 1358111 TimTec1_000214 Oc1ccccc1OCC(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J17 compound treatment -0.944 -0.815 -1.16 -1.564 -1.49 -2.95 -0.408 -0.357938564026647 -0.689399403614501 -2.7682 -0.8542 1091978 TimTec1_000215 CCOC(=O)CN=C(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J18 compound treatment -0.383 -0.254 -0.36 -0.451 -0.38 -0.75 -0.962 -0.911938564026647 -1.75641846215328 -1.6549 -0.8516 1917358 TimTec1_000216 CN1CCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J19 compound treatment 0.456 0.585 0.83 0.73 0.801 1.58 0.68 0.730061435973353 1.40611816983349 2.206 0.9698 1066363 TimTec1_000217 COc1ccc2NC(C)(C)C=C(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J20 compound treatment -0.015 0.114 0.16 -0.07 0.00144 0.0 -0.057 -0.00693856402664701 -0.0133638629157471 0.0878 0.5381 1921867 TimTec1_000218 On1c(nc-2c1CCc3c2no[n+]3[O-])c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J21 compound treatment 0.021 0.15 0.21 -0.9 -0.829 -1.64 -0.761 -0.710938564026647 -1.36928699867621 -1.6116 -0.7517 3081805 TimTec1_000219 Nc1c(no[n+]1[O-])C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J22 compound treatment 0.012 0.141 0.2 -0.808 -0.737 -1.45 -0.346 -0.295938564026647 -0.569985718362869 -1.0527 -0.6684 1879059 TimTec1_000220 CNC(=O)N(Cc1cccnc1)Cc2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J23 mock treatment 0.362 0.491 0.7 0.078 0.149 0.3 -0.07 -0.019938564026647 -0.0384022162749602 0.5516 0.7263 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 J24 mock treatment -0.105 0.0244 0.03 -0.099 -0.0276 -0.05 0.051 0.101061435973353 0.19464707268387 0.101 0.4925 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K01 compound treatment -0.673 -0.544 -0.77 -0.597 -0.526 -1.04 -0.104 -0.053938564026647 -0.10388714044521 -1.1053 -0.8515 1259801 TimTec1_000221 CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K02 compound treatment 0.0 0.129 0.18 -0.015 0.0564 0.11 0.083 0.133061435973353 0.256279942491163 0.3185 0.952 1151146 TimTec1_000222 Nc1c(C#N)c(c2ccccc2)c3CCCCc3c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K03 compound treatment -0.42 -0.291 -0.41 0.257 0.328 0.65 -0.13 -0.079938564026647 -0.153963847163636 0.047 0.0599 1392387 TimTec1_000223 Brc1ccc(o1)C(=O)Nc2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K04 compound treatment -1.985 -1.86 -2.64 -0.986 -0.915 -1.81 -0.772 -0.721938564026647 -1.39047329767247 -3.3686 -0.9662 1275980 TimTec1_000224 Clc1ccc(OCC(=O)NCC=C)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K05 compound treatment 0.161 0.29 0.41 0.435 0.506 1.0 0.279 0.329061435973353 0.633781270060838 1.1816 0.9424 1285366 TimTec1_000225 Cc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K06 compound treatment -0.086 0.0434 0.06 -0.492 -0.421 -0.83 -0.42 -0.369938564026647 -0.712511729792236 -0.8552 -0.7803 3081809 TimTec1_000226 Cc1cc(C)nc(SCC(=O)NN)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K07 compound treatment -0.431 -0.302 -0.43 -0.853 -0.782 -1.54 -0.545 -0.494938564026647 -0.953265127476978 -1.6889 -0.9061 1584109 TimTec1_000227 NNC(=O)C1CC2CC1CC2C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K08 compound treatment -0.062 0.0674 0.1 -0.548 -0.477 -0.94 -0.338 -0.287938564026647 -0.554577500911046 -0.8081 -0.737 1914424 TimTec1_000228 C(=N/C(\N=C\c1ccccc1)c2ccccc2)\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K09 compound treatment 0.253 0.382 0.54 -0.659 -0.588 -1.16 -0.371 -0.320938564026647 -0.618136397899818 -0.7128 -0.5011 3081861 TimTec1_000229 COC(=O)c1ccc(NC(=S)NC(=O)N2CCOCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K10 compound treatment -0.613 -0.484 -0.69 -2.62 -2.55 -5.03 -2.953 -2.90293856402665 -5.59113858047584 -6.5303 -0.8645 3209999 TimTec1_000230 CC(=O)OC1COC(NC(=S)Oc2ccccc2)C(OC(=O)C)C1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K11 compound treatment -0.143 -0.0136 -0.02 -1.265 -1.19 -2.36 -1.013 -0.962938564026647 -1.85464584840865 -2.4426 -0.8145 3081863 TimTec1_000231 CCOC(=O)Cn1nc(cc1C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K12 compound treatment -0.186 -0.0566 -0.08 -0.389 -0.318 -0.63 -0.683 -0.632938564026647 -1.21905687852093 -1.1123 -0.81 3210000 TimTec1_000232 COc1ccc(/C=C/C(=O)OC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K13 compound treatment -1.038 -0.909 -1.29 -0.806 -0.735 -1.45 -0.507 -0.456938564026647 -0.880076094580816 -2.0913 -0.9808 3081865 TimTec1_000233 c1ccc(cc1)c2cnc3nonc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K14 compound treatment -0.056 0.0734 0.1 -0.562 -0.491 -0.97 -0.162 -0.111938564026647 -0.21559671697093 -0.6235 -0.6248 1474168 TimTec1_000234 COc1ccc(CCN(C)C(=S)NN)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K15 compound treatment -1.435 -1.31 -1.86 -1.851 -1.78 -3.51 -0.838 -0.787938564026647 -1.51759109165001 -3.9766 -0.9348 1445690 TimTec1_000235 OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)N3CCCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K16 compound treatment -0.672 -0.543 -0.77 -0.206 -0.135 -0.27 -0.414 -0.363938564026647 -0.700955566703369 -1.0035 -0.9329 1033126 TimTec1_000236 Cc1ccc(cc1)S(=O)(=O)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K17 compound treatment -0.242 -0.113 -0.16 0.149 0.22 0.44 0.775 0.825061435973353 1.58909075207389 1.0763 0.6502 1183681 TimTec1_000237 COc1cc(NC(=O)Cc2ccc(F)cc2)cc(c1)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K18 compound treatment -0.047 0.0824 0.12 -0.778 -0.707 -1.4 -0.605 -0.554938564026647 -1.06882675836565 -1.3549 -0.7692 1604299 TimTec1_000238 COc1cc2c(NC(=O)C)c(CN(C)C)oc2c(Cl)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K19 compound treatment -0.071 0.0584 0.08 -0.493 -0.422 -0.83 -0.383 -0.332938564026647 -0.641248724077553 -0.8029 -0.7617 3210001 TimTec1_000239 NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K20 compound treatment 0.108 0.237 0.34 -0.677 -0.606 -1.2 -0.52 -0.469938564026647 -0.905114447940029 -1.018 -0.6623 3081870 TimTec1_000240 CCOC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K21 compound treatment -0.049 0.0804 0.11 -1.7 -1.63 -3.22 -1.221 -1.17093856402665 -2.25525950215606 -3.0926 -0.7871 3210002 TimTec1_000241 S=c1n(CN(Cc2ccccc2)Cc3ccccc3)nnn1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K22 compound treatment -0.425 -0.296 -0.42 -1.658 -1.59 -3.13 -2.238 -2.18793856402665 -4.21402914571912 -4.4843 -0.8513 1023688 TimTec1_000242 CN(C)CCC(=O)c1ccco1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K23 mock treatment -0.494 -0.365 -0.52 0.078 0.149 0.3 0.105 0.155061435973353 0.298652540483678 0.0435 0.0652 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 K24 mock treatment -0.25 -0.121 -0.17 -0.386 -0.315 -0.62 0.113 0.163061435973353 0.314060757935501 -0.2763 -0.3854 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L01 compound treatment -0.186 -0.0566 -0.08 -0.227 -0.156 -0.31 0.186 0.236061435973353 0.45466074218339 0.0387 0.0698 1264988 TimTec1_000243 COc1cc(N)c(Cl)cc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L02 compound treatment -1.143 -1.01 -1.44 -0.844 -0.773 -1.53 -0.339 -0.288938564026647 -0.556503528092524 -2.034 -0.9369 1706058 TimTec1_000244 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccccc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L03 compound treatment -0.551 -0.422 -0.6 -0.587 -0.516 -1.02 -0.304 -0.253938564026647 -0.489092576740796 -1.2162 -0.9512 1357677 TimTec1_000245 CNC(=O)c1cnc2cc(Cl)ccc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L04 compound treatment -1.12 -0.991 -1.41 -1.0 -0.929 -1.83 -0.937 -0.886938564026647 -1.70826778261633 -2.858 -0.9942 1569209 TimTec1_000246 O=S(=O)(NC1c2ccccc2Oc3ccccc13)c4ccc5ccccc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L05 compound treatment -0.672 -0.543 -0.77 -0.111 -0.0396 -0.08 -0.382 -0.331938564026647 -0.639322696896075 -0.8596 -0.8554 1015215 TimTec1_000247 COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L06 compound treatment 0.075 0.204 0.29 0.136 0.207 0.41 -0.262 -0.211938564026647 -0.408199435118723 0.1686 0.2605 1490465 TimTec1_000248 COc1ccc(SCC(=O)Nc2ccccn2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L07 compound treatment -0.021 0.108 0.15 0.127 0.198 0.39 -0.062 -0.011938564026647 -0.0229939988231368 0.3019 0.716 1204062 TimTec1_000249 CSc1c(CC(=O)NN)n(C)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L08 compound treatment -2.169 -2.04 -2.9 -1.917 -1.85 -3.64 -2.141 -2.09093856402665 -4.02720450911576 -6.1033 -0.9913 1235682 TimTec1_000250 CCc1nc2[nH]nc(N)c2c3CC(C)(C)OCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L09 compound treatment 0.02 0.149 0.21 -0.466 -0.395 -0.78 -0.667 -0.616938564026647 -1.18824044361729 -1.0132 -0.7052 3081877 TimTec1_000251 O=C(/C=C/N1CCOCC1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L10 compound treatment -0.078 0.0514 0.07 -1.446 -1.37 -2.71 -0.562 -0.511938564026647 -0.986007589562103 -2.0941 -0.7249 3210003 TimTec1_000252 C[n+]1ccc(/C=C/c2cccs2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L11 compound treatment 0.373 0.502 0.71 0.063 0.134 0.27 -0.015 0.035061435973353 0.067529278706326 0.6047 0.7904 1338690 TimTec1_000253 CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(C)cc3)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L12 compound treatment -0.017 0.112 0.16 -0.236 -0.165 -0.32 0.0 0.050061435973353 0.096419686428495 -0.0397 -0.1058 1654307 TimTec1_000254 CC1(C)Cc2c(C#N)c3nc(cnn3c2CO1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L13 compound treatment -0.279 -0.15 -0.21 -0.286 -0.215 -0.42 0.052 0.102061435973353 0.196573099865347 -0.2539 -0.4948 1245793 TimTec1_000255 CCc1oc2ccccc2c1C(=O)c3ccc(OC(=O)C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L14 compound treatment -1.167 -1.04 -1.48 -1.012 -0.941 -1.86 -0.793 -0.742938564026647 -1.4309198684835 -2.7501 -0.9928 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L15 compound treatment -0.12 0.00941 0.01 -0.076 -0.00456 -0.01 0.214 0.264061435973353 0.508589503264772 0.2962 0.582 1570064 TimTec1_000257 Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L16 compound treatment -0.981 -0.852 -1.21 -0.987 -0.916 -1.81 -0.281 -0.230938564026647 -0.444793951566804 -1.9996 -0.9004 1509985 TimTec1_000258 C=CCC1CCCCC1NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L17 compound treatment -0.759 -0.63 -0.9 0.226 0.297 0.59 -0.172 -0.121938564026647 -0.234856988785709 -0.3133 -0.2859 1455868 TimTec1_000259 COc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L18 compound treatment -0.264 -0.135 -0.19 0.234 0.305 0.6 -0.337 -0.286938564026647 -0.552651473729568 -0.0814 -0.0968 3210004 TimTec1_000260 Fc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L19 compound treatment -0.19 -0.0606 -0.09 -0.294 -0.223 -0.44 0.302 0.352061435973353 0.67807989523483 0.088 0.1083 1369950 TimTec1_000261 CCOc1ccc2N(C)C(C)(C)c3ssc(=S)c3-c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L20 compound treatment -1.25 -1.12 -1.59 -0.912 -0.841 -1.66 -1.056 -1.00593856402665 -1.9374650172122 -2.9967 -0.9963 3210005 TimTec1_000262 NC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L21 compound treatment 0.019 0.148 0.21 -0.882 -0.811 -1.6 -0.071 -0.020938564026647 -0.0403282434564381 -0.8255 -0.5112 1298997 TimTec1_000263 CCOC(=O)c1c(CNc2cccc(c2)C(=O)N)n(C)c3cc(Br)c(OC(=O)C)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L22 compound treatment -0.455 -0.326 -0.46 -0.402 -0.331 -0.65 -0.588 -0.537938564026647 -1.03608429628053 -1.2423 -0.949 1677367 TimTec1_000264 O=C(Nc1c(cnn1c2ccccc2)C(=O)N3CCCCC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L23 mock treatment 0.0 0.129 0.18 0.012 0.0834 0.16 0.06 0.110061435973353 0.211981317317171 0.3237 0.9947 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 L24 mock treatment -0.207 -0.0776 -0.11 0.0 0.0714 0.14 0.115 0.165061435973353 0.317912812298457 0.2013 0.5517 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M01 compound treatment -0.026 0.103 0.15 -0.164 -0.0926 -0.18 -1.31 -1.25993856402665 -2.4266759213076 -1.4217 -0.5831 1321921 TimTec1_000265 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M02 compound treatment -0.429 -0.3 -0.43 0.176 0.247 0.49 0.2 0.250061435973353 0.481625122724081 0.3142 0.3891 3081949 TimTec1_000266 CCC1(C)C/C(=C\C)/C(=C(N)C1(C#N)C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M03 compound treatment 0.267 0.396 0.56 -0.073 -0.00156 0.0 -0.298 -0.247938564026647 -0.477536413651929 0.0479 0.0649 1666559 TimTec1_000267 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)ncn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M04 compound treatment -0.22 -0.0906 -0.13 -0.648 -0.577 -1.14 -0.65 -0.599938564026647 -1.15549798153216 -1.3988 -0.8596 1006470 TimTec1_000268 C[N+](C)(Cc1ccccc1)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M05 compound treatment -1.354 -1.22 -1.74 -2.085 -2.01 -3.98 -1.457 -1.40693856402665 -2.70980191698485 -4.8652 -0.9508 3210006 TimTec1_000269 O=S(N1CCOCC1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M06 compound treatment -1.154 -1.02 -1.46 -0.129 -0.0576 -0.11 -0.727 -0.676938564026647 -1.30380207450596 -1.6594 -0.8474 3081952 TimTec1_000270 S=C(Nc1ccccc1)N=S(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M07 compound treatment -0.203 -0.0736 -0.1 -0.136 -0.0646 -0.13 -0.014 0.036061435973353 0.069455305887804 -0.0939 -0.5248 1489996 TimTec1_000271 COC1OC2COC(OC2CC1O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M08 compound treatment -0.025 0.104 0.15 -0.217 -0.146 -0.29 -0.069 -0.018938564026647 -0.0364761890934823 -0.1013 -0.3112 3210007 TimTec1_000272 O=C(c1ccccc1)c2cc[n+](Cc3ccccn3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M09 compound treatment -0.287 -0.158 -0.22 0.153 0.224 0.44 0.013 0.063061435973353 0.121458039787708 0.1966 0.3846 3210008 TimTec1_000273 Cc1ccc(/C=C/C(=O)NC(=S)N2CCN(CC2)c3ccc(F)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M10 compound treatment -1.01 -0.881 -1.25 -2.373 -2.3 -4.54 -3.045 -2.99493856402665 -5.76833308117181 -6.6769 -0.8963 1433383 TimTec1_000274 CCCOC(=S)NC1OCC(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M11 compound treatment 0.333 0.462 0.66 -0.241 -0.17 -0.33 -0.215 -0.164938564026647 -0.31767615758926 0.0029 0.0036 1720341 TimTec1_000275 O=C(Nc1ccc(cc1)c2ccccc2)C3CC3c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M12 compound treatment 0.061 0.19 0.27 0.119 0.19 0.38 0.155 0.205061435973353 0.394953899557574 0.6014 0.9878 3081955 TimTec1_000276 COc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M13 compound treatment -0.643 -0.514 -0.73 -0.607 -0.536 -1.06 -0.024 0.026061435973353 0.0501950340730246 -1.0031 -0.78 1475730 TimTec1_000277 CCOC(=O)c1nonc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M14 compound treatment -0.615 -0.486 -0.69 -0.703 -0.632 -1.25 -0.038 0.012061435973353 0.0232306535323336 -1.1052 -0.7752 3082017 TimTec1_000278 Clc1ccc(cc1)C2=NN=C(SC2)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M15 compound treatment -0.014 0.115 0.16 -0.086 -0.0146 -0.03 0.092 0.142061435973353 0.273614187124465 0.2361 0.7371 1344248 TimTec1_000279 CCN(CC)CCC(O)(C1CCCCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M16 compound treatment -1.092 -0.963 -1.37 -0.987 -0.916 -1.81 -1.015 -0.964938564026647 -1.85849790277161 -2.9069 -0.9915 1532600 TimTec1_000280 Cc1nc2ccccc2cc1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M17 compound treatment 0.147 0.276 0.39 0.121 0.192 0.38 0.676 0.726061435973353 1.39841406110758 1.2536 0.835 3210120 TimTec1_000281 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)NCCN4CCOCC4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M18 compound treatment -0.107 0.0224 0.03 -0.076 -0.00456 -0.01 -0.101 -0.050938564026647 -0.0981090589007761 -0.0434 -0.4196 1325986 TimTec1_000282 Cc1ccc(o1)C(=O)c2coc3ccc(O)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M19 compound treatment -0.15 -0.0206 -0.03 -0.043 0.0284 0.06 -0.065 -0.014938564026647 -0.0287720803675706 -0.0011 -0.0157 3210121 TimTec1_000283 OCC(CO)(CO)NC=C1C(=O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M20 compound treatment 0.359 0.488 0.69 -0.681 -0.61 -1.2 -0.325 -0.274938564026647 -0.529539147551833 -0.5997 -0.4033 1295715 TimTec1_000284 OC(=O)CCCc1cc2cc(Br)ccc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M21 compound treatment -0.149 -0.0196 -0.03 -0.161 -0.0896 -0.18 -0.24 -0.189938564026647 -0.365826837126209 -0.3294 -0.8088 3210122 TimTec1_000285 Brc1ccc(/N=C(\c2ccccc2)/c3ccncc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M22 compound treatment 0.0 0.129 0.18 -0.729 -0.658 -1.3 -1.048 -0.997938564026647 -1.92205679976038 -1.7531 -0.7534 1536799 TimTec1_000286 Clc1cccc(NC(=O)NCCN2CCCCC2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M23 mock treatment -0.319 -0.19 -0.27 -0.325 -0.254 -0.5 0.195 0.245061435973353 0.471994986816692 -0.1722 -0.233 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 M24 mock treatment 0.264 0.393 0.56 0.085 0.156 0.31 0.068 0.118061435973353 0.227389534768994 0.6326 0.9327 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N01 compound treatment -0.103 0.0264 0.04 -0.066 0.00544 0.01 -0.682 -0.631938564026647 -1.21713085133945 -0.6748 -0.5542 1530149 TimTec1_000287 CCCCN1CCC(CC1)(Nc2ccccc2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N02 compound treatment -0.585 -0.456 -0.65 -0.556 -0.485 -0.96 -0.042 0.00806143597335299 0.0155265448064219 -0.9174 -0.7939 1146434 TimTec1_000288 O=C(COC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N03 compound treatment -0.266 -0.137 -0.19 -0.443 -0.372 -0.73 -0.192 -0.141938564026647 -0.273377532415268 -0.6935 -0.8598 1353615 TimTec1_000289 CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N04 compound treatment -0.741 -0.612 -0.87 -0.81 -0.739 -1.46 -0.379 -0.328938564026647 -0.633544615351641 -1.7098 -0.9435 1022729 TimTec1_000290 O=C1N(C2c3ccccc3Oc4ccccc24)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N05 compound treatment -0.359 -0.23 -0.33 -0.926 -0.855 -1.69 -0.439 -0.388938564026647 -0.749106246240317 -1.5951 -0.8508 3082023 TimTec1_000291 O=C1N(/N=C/c2ccccc2)C(=O)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N06 compound treatment -0.156 -0.0266 -0.04 -0.163 -0.0916 -0.18 -0.602 -0.551938564026647 -1.06304867682122 -0.74 -0.6858 3210123 TimTec1_000292 O=C(CSc1ccccn1)Nc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N07 compound treatment -0.031 0.0984 0.14 -0.586 -0.515 -1.02 -0.485 -0.434938564026647 -0.837703496588302 -0.9895 -0.7472 3082025 TimTec1_000293 Cc1cc(n[nH]1)c2cc(C)[nH]n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N08 compound treatment -0.159 -0.0296 -0.04 -0.214 -0.143 -0.28 -0.209 -0.158938564026647 -0.306119994500393 -0.3635 -0.8697 1617345 TimTec1_000294 CN1CCc2c(C1)c(NCCO)nc3[nH]nc(N)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N09 compound treatment -0.625 -0.496 -0.7 -0.733 -0.662 -1.31 -0.295 -0.244938564026647 -0.471758332107495 -1.4334 -0.9204 1226159 TimTec1_000295 C(Cc1ccncc1)Nc2ccc(OCc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N10 compound treatment -0.125 0.00441 0.01 0.0 0.0714 0.14 0.208 0.258061435973353 0.497033340175905 0.372 0.72 3210124 TimTec1_000296 COc1ccc2c(C)nc(N/C(=N/C(=O)C)/N)nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N11 compound treatment 0.2 0.329 0.47 -1.125 -1.05 -2.08 -1.861 -1.81093856402665 -3.48791689830194 -2.9444 -0.7202 1294429 TimTec1_000297 CC(=O)Nc1c(oc2ccc(Br)cc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N12 compound treatment 0.109 0.238 0.34 -0.164 -0.0926 -0.18 -0.041 0.009061435973353 0.0174525719878998 0.1003 0.2601 3210125 TimTec1_000298 CC1(C)Cc2c(C#N)c(=S)[nH]c(N3CCOCC3)c2CS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N13 compound treatment -0.883 -0.754 -1.07 -0.169 -0.0976 -0.19 0.014 0.064061435973353 0.123384066969186 -0.6586 -0.6011 1155921 TimTec1_000299 N#CC(CCN1CCN(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N14 compound treatment -0.148 -0.0186 -0.03 -0.492 -0.421 -0.83 -0.264 -0.213938564026647 -0.412051489481679 -0.7326 -0.7899 1441186 TimTec1_000300 C1CCC(CC1)c2nnc(o2)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N15 compound treatment -0.329 -0.2 -0.28 0.46 0.531 1.05 0.5 0.550061435973353 1.05943327716746 1.0537 0.6942 3210126 TimTec1_000301 CCC(C)C1=NN(C(=O)c2ccccc2)C(O)(C1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N16 compound treatment -0.186 -0.0566 -0.08 -0.15 -0.0786 -0.16 -0.338 -0.287938564026647 -0.554577500911046 -0.4562 -0.7846 3082032 TimTec1_000302 Cc1ccc(cc1)c2ccc(OC(=O)c3ccccc3F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N17 compound treatment 0.164 0.293 0.42 -0.314 -0.243 -0.48 -0.048 0.002061435973353 0.00397038171755429 -0.0334 -0.0525 1424431 TimTec1_000303 CC1=CC(C)(C)N(Cc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N18 compound treatment 0.036 0.165 0.24 0.072 0.143 0.28 0.095 0.145061435973353 0.279392268668899 0.4606 0.9967 3081117 TimTec1_000304 Fc1ccc(/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N19 compound treatment 0.036 0.165 0.24 -1.357 -1.29 -2.54 -0.692 -0.641938564026647 -1.23639112315423 -2.0436 -0.7213 3210127 TimTec1_000305 CC(C)C(=O)N1c2ccc(C)cc2-c3c(ssc3=S)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N20 compound treatment 0.195 0.324 0.46 0.386 0.457 0.9 0.265 0.315061435973353 0.606816889520147 1.1381 0.963 3081119 TimTec1_000306 CCOc1cc(/C=C/2\SCOC2=O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N21 compound treatment -0.049 0.0804 0.11 -0.452 -0.381 -0.75 -0.425 -0.374938564026647 -0.722141865699626 -0.7848 -0.7485 1693566 TimTec1_000307 CCOC(=O)c1c(C)n(C)c2ccc(O)c(c12)S(=O)(=O)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N22 compound treatment 0.0 0.129 0.18 -0.103 -0.0316 -0.06 -0.112 -0.061938564026647 -0.119295357897033 0.0014 0.006 1465551 TimTec1_000308 Fc1ccc(CC(=O)NC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N23 mock treatment 0.224 0.353 0.5 0.106 0.177 0.35 0.04 0.090061435973353 0.173460773687612 0.5925 0.9307 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 N24 mock treatment -0.015 0.114 0.16 0.097 0.168 0.33 -0.043 0.007061435973353 0.013600517624944 0.2938 0.793 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O01 compound treatment -0.519 -0.39 -0.55 -0.069 0.00244 0.0 -0.095 -0.044938564026647 -0.0865528958119085 -0.367 -0.6546 1586093 TimTec1_000309 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O02 compound treatment 0.143 0.272 0.39 0.283 0.354 0.7 0.411 0.461061435973353 0.888016858015925 1.1404 0.9542 1502323 TimTec1_000310 Nc1nc2CCCc2c(c1C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O03 compound treatment -1.381 -1.25 -1.78 -0.25 -0.179 -0.35 -0.225 -0.174938564026647 -0.33693642940404 -1.4255 -0.7726 3210128 TimTec1_000311 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O04 compound treatment -0.871 -0.742 -1.05 -0.078 -0.00656 -0.01 -0.19 -0.139938564026647 -0.269525478052312 -0.7718 -0.7092 1176923 TimTec1_000312 C[N+](C)(CCC#N)Cc1cccc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O05 compound treatment 0.183 0.312 0.44 -0.716 -0.645 -1.27 0.013 0.063061435973353 0.121458039787708 -0.4082 -0.3016 3081123 TimTec1_000313 S=C(SN1CCOCC1)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O06 compound treatment 0.087 0.216 0.31 -0.246 -0.175 -0.34 -0.423 -0.372938564026647 -0.71828981133667 -0.4361 -0.5106 1002693 TimTec1_000314 COC1OC2COC(OC2C(O)C1O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O07 compound treatment -0.081 0.0484 0.07 0.162 0.233 0.46 0.022 0.072061435973353 0.138792284421009 0.386 0.7938 1507393 TimTec1_000315 CCCOC(=S)NC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O08 compound treatment -0.299 -0.17 -0.24 -0.112 -0.0406 -0.08 0.122 0.172061435973353 0.331395002568803 0.0059 0.0141 3081125 TimTec1_000316 C(c1ccccc1)c2ccc[n+](Cc3ccccn3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O09 compound treatment -0.726 -0.597 -0.85 -1.0 -0.929 -1.83 -0.464 -0.413938564026647 -0.797256925777265 -2.0086 -0.9248 3210129 TimTec1_000317 Cc1cc(C)n(n1)C(=O)COc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O10 compound treatment -0.162 -0.0326 -0.05 -0.422 -0.351 -0.69 -1.287 -1.23693856402665 -2.3823772961336 -1.8019 -0.7262 1676440 TimTec1_000318 CC12CCC3C(CC=C4CC(CCC34C)OC5CCCCO5)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O11 compound treatment -0.282 -0.153 -0.22 -1.297 -1.23 -2.42 -1.592 -1.54193856402665 -2.96981558648437 -3.237 -0.8436 1921096 TimTec1_000319 O=C1NC(=O)C2(COC(OC2)c3ccccc3)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O12 compound treatment 0.275 0.404 0.57 -0.871 -0.8 -1.58 -0.984 -0.933938564026647 -1.79879106014579 -1.6181 -0.6574 3081128 TimTec1_000320 COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O13 compound treatment -0.745 -0.616 -0.88 -0.575 -0.504 -0.99 -0.312 -0.261938564026647 -0.50450079419262 -1.3706 -0.967 3081129 TimTec1_000321 COc1nonc1NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O14 compound treatment -0.64 -0.511 -0.73 -0.459 -0.388 -0.77 -0.282 -0.231938564026647 -0.446719978748282 -1.1189 -0.9767 1215803 TimTec1_000322 CN(C)CCSc1nc2ccccc2c(=O)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O15 compound treatment -0.887 -0.758 -1.08 -0.583 -0.512 -1.01 0.094 0.144061435973353 0.277466241487421 -1.0449 -0.6954 1134169 TimTec1_000323 COc1ccc(c2nc3nnc(C)n3[nH]2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O16 compound treatment 0.018 0.147 0.21 0.349 0.42 0.83 0.31 0.360061435973353 0.693488112686654 1.0007 0.9082 1165035 TimTec1_000324 CCOC(=O)c1c(CN2CCCCC2)n(c3ccccc3)c4ccc(OC(=O)C)cc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O17 compound treatment -0.883 -0.754 -1.07 -0.815 -0.744 -1.47 -0.569 -0.518938564026647 -0.999489779832448 -2.0433 -0.9851 3210130 TimTec1_000325 CC(=O)Nc1ccc(/N=C/c2ccc(cc2)N3CCOCC3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O18 compound treatment -0.038 0.0914 0.13 -0.288 -0.217 -0.43 -0.269 -0.218938564026647 -0.421681625389069 -0.4153 -0.6759 1656585 TimTec1_000326 OC(=O)C(Cc1ccsc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O19 compound treatment 0.0 0.129 0.18 -0.083 -0.0116 -0.02 -0.152 -0.101938564026647 -0.196336445156151 -0.0203 -0.0752 3081133 TimTec1_000327 CC1(C)CC(=O)C(=CNC(CO)(CO)CO)C(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O20 compound treatment 0.143 0.272 0.39 -0.225 -0.154 -0.3 -0.253 -0.202938564026647 -0.390865190485422 -0.1771 -0.2819 3210131 TimTec1_000328 CCOC(=O)c1c(CNC(C)C)oc2ccc(OC)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O21 compound treatment -0.075 0.0544 0.08 -0.169 -0.0976 -0.19 0.324 0.374061435973353 0.720452493227345 0.3494 0.466 3210132 TimTec1_000329 Cc1ccc(C)c(c1)[C@H]2[C@@H](N3C(C=Cc4ccccc34)C2(C#N)C#N)C(=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O22 compound treatment 0.29 0.419 0.6 0.062 0.133 0.26 -0.3 -0.249938564026647 -0.481388468014885 0.2185 0.2696 1145302 TimTec1_000330 CCOC(=O)c1c(C)n(C2CCCCC2)c3ccc(O)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O23 mock treatment -0.159 -0.0296 -0.04 0.107 0.178 0.35 0.113 0.163061435973353 0.314060757935501 0.3604 0.7607 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 O24 mock treatment -0.545 -0.416 -0.59 -0.07 0.00144 0.0 -0.234 -0.183938564026647 -0.354270674037341 -0.544 -0.7897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P01 compound treatment -0.357 -0.228 -0.32 0.0 0.0714 0.14 0.069 0.119061435973353 0.229315561950472 0.027 0.0642 1004729 TimTec1_000331 COC(=O)c1ccccc1C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P02 compound treatment 0.233 0.362 0.52 -0.1 -0.0286 -0.06 0.298 0.348061435973353 0.670375786508919 0.652 0.7694 3210133 TimTec1_000332 O=C(Oc1cc(OC(=O)c2ccco2)cc(OC(=O)c3ccco3)c1)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P03 compound treatment -0.333 -0.204 -0.29 0.011 0.0824 0.16 0.189 0.239061435973353 0.460438823727824 0.1927 0.3394 3081813 TimTec1_000333 CCOC(=O)Cc1c(SC)c2ccccc2n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P04 compound treatment -0.468 -0.339 -0.48 -0.062 0.00944 0.02 0.254 0.304061435973353 0.58563059052389 0.0709 0.0935 3081814 TimTec1_000334 CCN(CC)CCOc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P05 compound treatment -0.709 -0.58 -0.82 -0.583 -0.512 -1.01 -0.219 -0.168938564026647 -0.325380266315172 -1.2468 -0.928 3210134 TimTec1_000335 O=C(Cc1ccccc1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P06 compound treatment 0.0 0.129 0.18 -1.0 -0.929 -1.83 0.312 0.362061435973353 0.69734016704961 -0.5497 -0.279 1158366 TimTec1_000336 O=C(Nc1ccccc1)C(=S)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P07 compound treatment -0.292 -0.163 -0.23 0.552 0.623 1.23 -0.495 -0.444938564026647 -0.856963768403081 0.0825 0.0543 1365315 TimTec1_000337 CCOC(=O)c1c(COC(=O)C)n(C)c2cc(Br)c(OC)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P08 compound treatment -0.136 -0.00659 -0.01 -0.126 -0.0546 -0.11 0.189 0.239061435973353 0.460438823727824 0.1982 0.4191 1268733 TimTec1_000338 Nc1c(N2CCN(CC2)c3ccccc3)c4ccccc4oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P09 compound treatment 0.239 0.368 0.52 -0.385 -0.314 -0.62 0.264 0.314061435973353 0.604890862338669 0.2942 0.2908 1047274 TimTec1_000339 CC(=O)Nc1ccc(OCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P10 compound treatment -0.687 -0.558 -0.79 -0.74 -0.669 -1.32 -0.721 -0.670938564026647 -1.29224591141709 -1.9659 -0.978 1459196 TimTec1_000340 CCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P11 compound treatment -0.156 -0.0266 -0.04 0.718 0.789 1.56 0.716 0.766061435973353 1.47545514836669 1.73 0.8059 1347458 TimTec1_000341 CCOC(=O)c1oc2ccccc2c1NC(=O)CCN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P12 compound treatment -0.121 0.00841 0.01 -0.689 -0.618 -1.22 -0.364 -0.313938564026647 -0.604654207629472 -1.0462 -0.7686 1693186 TimTec1_000342 Cc1nn2c(=O)c3CCCc3[nH]c2c1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P13 compound treatment -0.395 -0.266 -0.38 -0.295 -0.224 -0.44 0.036 0.086061435973353 0.165756664961701 -0.3772 -0.6244 1228757 TimTec1_000343 CC1(C)CC(=O)c2c(c([nH]c2C1)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P14 compound treatment -0.578 -0.449 -0.64 -0.58 -0.509 -1.0 -0.333 -0.282938564026647 -0.544947365003656 -1.2626 -0.965 3081883 TimTec1_000344 NCCCc1nc2cc3sc(CCCN)nc3cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P15 compound treatment -0.739 -0.61 -0.87 -0.538 -0.467 -0.92 -0.5 -0.449938564026647 -0.866593904310471 -1.5326 -0.9996 1650512 TimTec1_000345 CC1=NN(C(=O)Cc2ccccc2)C(O)(C1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P16 compound treatment -0.013 0.116 0.17 -0.653 -0.582 -1.15 0.034 0.084061435973353 0.161904610598745 -0.4739 -0.4046 3081885 TimTec1_000346 N#Cc1ccc(C#N)c(c1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P17 compound treatment -0.368 -0.239 -0.34 0.321 0.392 0.77 -0.413 -0.362938564026647 -0.699029539521891 -0.1521 -0.1386 3081886 TimTec1_000347 Cc1ccc(cc1)C2=C/C(=C/3\OC(=O)c4ccccc34)/C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P18 compound treatment 0.185 0.314 0.45 0.117 0.188 0.37 -0.222 -0.171938564026647 -0.331158347859606 0.2817 0.4209 3210253 TimTec1_000348 COC(=O)NC(Nc1ccccc1C(F)(F)F)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P19 compound treatment 0.686 0.815 1.16 -0.033 0.0384 0.08 0.311 0.361061435973353 0.695414139868132 1.1147 0.8232 1111738 TimTec1_000349 Cc1nc(NC(=N)N)nc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P20 compound treatment 0.032 0.161 0.23 -0.229 -0.158 -0.31 0.153 0.203061435973353 0.391101845194619 0.1787 0.3249 1449841 TimTec1_000350 OC(=O)CCN1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P21 compound treatment 0.304 0.433 0.62 -0.044 0.0274 0.05 -0.052 -0.001938564026647 -0.00373372700835743 0.3849 0.6222 1530469 TimTec1_000351 O=C(CSc1nc2ccccc2s1)NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P22 compound treatment 0.2 0.329 0.47 0.211 0.282 0.56 0.127 0.177061435973353 0.341025138476192 0.7893 0.9815 1494539 TimTec1_000352 CCCN(CCC)C(=O)c1cnn(c1NC(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P23 mock treatment 0.706 0.835 1.19 -0.161 -0.0896 -0.18 0.03 0.080061435973353 0.154200501872833 0.6727 0.5556 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2063 P24 mock treatment -0.375 -0.246 -0.35 0.132 0.203 0.4 0.203 0.253061435973353 0.487403204268515 0.3117 0.4319 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A01 compound treatment -0.812 -0.683 -0.97 -0.768 -0.697 -1.38 -0.588 -0.537938564026647 -1.03608429628053 -1.9526 -0.9878 3081276 TimTec1_000705 CN(C)C(=O)c1cc(Cl)ccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A02 compound treatment -0.465 -0.336 -0.48 -0.123 -0.0516 -0.1 0.081 0.131061435973353 0.252427888128207 -0.1885 -0.3432 1727664 TimTec1_000706 Cc1cccc(NC(=O)c2cnn(c2NC(=O)c3ccco3)c4ccccc4)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A03 compound treatment -0.066 0.0634 0.09 0.165 0.236 0.47 -0.136 -0.085938564026647 -0.165520010252504 0.226 0.4489 1225534 TimTec1_000707 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A04 compound treatment -1.246 -1.12 -1.59 -0.544 -0.473 -0.93 -0.944 -0.893938564026647 -1.72174997288667 -2.4493 -0.9716 3211034 TimTec1_000708 COC(=O)CSc1nc(ccc1C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A05 compound treatment -0.264 -0.135 -0.19 -1.167 -1.1 -2.16 -0.891 -0.840938564026647 -1.61967053226834 -2.2945 -0.847 1669652 TimTec1_000709 O=C(CSc1nc2ccccc2o1)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A06 compound treatment -0.803 -0.674 -0.96 -0.558 -0.487 -0.96 -0.387 -0.336938564026647 -0.648952832803465 -1.4823 -0.9857 1013954 TimTec1_000710 COC(=O)c1cccc(c1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A07 compound treatment -0.561 -0.432 -0.61 -0.543 -0.472 -0.93 -0.093 -0.042938564026647 -0.0827008414489526 -0.9396 -0.8403 1089954 TimTec1_000711 OC(=O)c1ccc(Oc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A08 compound treatment -0.743 -0.614 -0.87 -0.511 -0.44 -0.87 -0.511 -0.460938564026647 -0.887780203306728 -1.5173 -1.0 1005718 TimTec1_000712 OC(=O)CCC(=O)OCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A09 compound treatment 0.211 0.34 0.48 -0.309 -0.238 -0.47 -0.476 -0.425938564026647 -0.820369251955 -0.465 -0.438 1474924 TimTec1_000713 CN(C)Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A10 compound treatment -0.891 -0.762 -1.08 -1.186 -1.11 -2.2 -1.808 -1.75793856402665 -3.38583745768361 -3.8506 -0.921 3211035 TimTec1_000714 Oc1cccc(/N=C/c2cc(Br)ccc2O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A11 compound treatment -0.3 -0.171 -0.24 -0.37 -0.299 -0.59 -1.244 -1.19393856402665 -2.29955812733005 -1.808 -0.7577 3081282 TimTec1_000715 Cc1ccc(O)c(c1)C2=Nc3ccccc3N=C(C2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A12 compound treatment 0.179 0.308 0.44 -1.18 -1.11 -2.19 -1.507 -1.45693856402665 -2.80610327605875 -2.6307 -0.7336 1433969 TimTec1_000716 Cc1cccc(c1)C(=O)NN(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A13 compound treatment -0.182 -0.0526 -0.07 -0.412 -0.341 -0.67 -0.053 -0.002938564026647 -0.00565975418983537 -0.4347 -0.6424 1483255 TimTec1_000717 CC(=O)Nc1cccc2ncccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A14 compound treatment -0.7 -0.571 -0.81 -0.289 -0.218 -0.43 -0.342 -0.291938564026647 -0.562281609636958 -1.041 -0.9671 1158197 TimTec1_000718 COc1ccc(cc1)C(=O)Nc2ccc(C)c(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A15 compound treatment -0.506 -0.377 -0.54 -0.37 -0.299 -0.59 0.0 0.050061435973353 0.096419686428495 -0.5938 -0.7402 3211036 TimTec1_000719 C/C(=N\n1cnnc1)/CC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A16 compound treatment -0.727 -0.598 -0.85 -0.483 -0.412 -0.81 -0.738 -0.687938564026647 -1.32498837350222 -1.7247 -0.9736 1075886 TimTec1_000720 FC(F)(F)c1cccc(NS(=O)(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A17 compound treatment -0.811 -0.682 -0.97 -0.941 -0.87 -1.72 -0.874 -0.823938564026647 -1.58692807018322 -2.467 -0.9748 1922764 TimTec1_000721 OC(=O)c1cc(/N=C/c2ccccc2O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A18 compound treatment -0.549 -0.42 -0.6 -0.28 -0.209 -0.41 -0.238 -0.187938564026647 -0.361974782763253 -0.7912 -0.9765 1340286 TimTec1_000722 COc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A19 compound treatment 0.45 0.579 0.82 1.175 1.25 2.27 0.443 0.493061435973353 0.949649727823219 2.335 0.8996 1715796 TimTec1_000723 CCOC(=O)c1c(CSc2nc(C)ccc2C#N)oc3ccc(OC(=O)C)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A20 compound treatment 0.076 0.205 0.29 -0.717 -0.646 -1.27 -0.432 -0.381938564026647 -0.735624055969971 -0.992 -0.6612 3211037 TimTec1_000724 COC(=O)C1=C(N)C(=c2s/c(=C/c3ccccc3)/c(=O)n2C1c4ccccc4)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A21 compound treatment 0.086 0.215 0.31 -0.286 -0.215 -0.42 -0.049 0.00106143597335299 0.00204435453607635 -0.0666 -0.1274 3081301 TimTec1_000725 NC1=C(C#N)[C@@H]([C@H](S1)C(=O)c2ccccc2)c3ccc(Br)c(F)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A22 compound treatment -1.552 -1.42 -2.02 -0.493 -0.422 -0.83 -1.783 -1.73293856402665 -3.33768677814666 -3.5753 -0.896 1561863 TimTec1_000726 O=C(Nc1nc(nc2CCCC(=O)c12)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A23 mock treatment 0.27 0.399 0.57 0.127 0.198 0.39 0.446 0.496061435973353 0.955427809367653 1.1057 0.9382 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 A24 mock treatment 0.161 0.29 0.41 0.34 0.411 0.81 -0.085 -0.034938564026647 -0.0672926239971292 0.6686 0.7317 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B01 compound treatment 0.317 0.446 0.63 0.902 0.973 1.92 0.774 0.824061435973353 1.58716472489241 2.3925 0.9301 3081303 TimTec1_000727 Cc1cccc[n+]1C2[C@H](C(=C(S)N[C@]2(C)O)C#N)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B02 compound treatment 0.29 0.419 0.6 0.088 0.159 0.31 0.222 0.272061435973353 0.523997720716596 0.8286 0.9703 3211038 TimTec1_000728 CC1C(CC(C(=O)O)C1(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B03 compound treatment 0.676 0.805 1.15 0.586 0.657 1.3 0.385 0.435061435973353 0.837940151297499 1.8944 0.985 3211039 TimTec1_000729 CC1=COC=C(/C=N/Cc2ccccc2)N1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B04 compound treatment -1.281 -1.15 -1.64 -0.397 -0.326 -0.64 -0.368 -0.317938564026647 -0.612358316355384 -1.67 -0.8966 3081306 TimTec1_000730 O=C(CSC#N)c1cccs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B05 compound treatment -0.098 0.0314 0.04 -0.173 -0.102 -0.2 -0.111 -0.060938564026647 -0.117369330715555 -0.1578 -0.6668 1225786 TimTec1_000731 COc1cccc2c1N(C3CC(C)CCC3C2(C)C)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B06 compound treatment -0.384 -0.255 -0.36 -0.855 -0.784 -1.55 -0.486 -0.435938564026647 -0.83962952376978 -1.587 -0.8831 1605606 TimTec1_000732 c1ccc(nc1)c2ccc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B07 compound treatment -0.311 -0.182 -0.26 -0.349 -0.278 -0.55 -0.347 -0.296938564026647 -0.571911745544347 -0.7957 -0.955 1478193 TimTec1_000733 CCC(=O)Nc1ncc2C(=O)CC(C)(C)Cc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B08 compound treatment 0.07 0.199 0.28 -0.754 -0.683 -1.35 -0.426 -0.375938564026647 -0.724067892881104 -1.0325 -0.6636 3081309 TimTec1_000734 COc1ccc(cc1)/C(=N/O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B09 compound treatment -0.5 -0.371 -0.53 -0.2 -0.129 -0.25 -0.217 -0.166938564026647 -0.321528211952216 -0.6364 -0.9535 3211040 TimTec1_000735 CCOC(=O)Cc1n[nH]c(CC(=O)OCC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B10 compound treatment 0.012 0.141 0.2 0.064 0.135 0.27 -0.365 -0.314938564026647 -0.60658023481095 -0.0797 -0.1151 3081311 TimTec1_000736 Nc1ccc2nn(nc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B11 compound treatment 0.387 0.516 0.73 -2.462 -2.39 -4.72 -3.527 -3.47693856402665 -6.69667818264417 -6.1676 -0.7498 1090166 TimTec1_000737 CN(C)c1c(C)n(C)n(c2ccccc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B12 compound treatment -0.031 0.0984 0.14 -0.079 -0.00756 -0.01 0.029 0.079061435973353 0.152274474691355 0.1601 0.7721 3081313 TimTec1_000738 CCOc1ccc(cc1)C(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B13 compound treatment -0.418 -0.289 -0.41 -0.321 -0.25 -0.49 0.072 0.122061435973353 0.235093643494906 -0.3857 -0.5647 3211041 TimTec1_000739 COc1cccc(/C=N/n2cnnc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B14 compound treatment 0.5 0.629 0.89 -0.833 -0.762 -1.5 -0.312 -0.261938564026647 -0.50450079419262 -0.6428 -0.353 3211042 TimTec1_000740 C[N+]1(C/C=C\2/COCO2)CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B15 compound treatment 0.377 0.506 0.72 0.296 0.367 0.73 -0.027 0.023061435973353 0.0444169525285909 0.8602 0.8408 1498488 TimTec1_000741 COc1ccc(CC(=O)NC2CCCCC2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B16 compound treatment -0.449 -0.32 -0.45 -0.193 -0.122 -0.24 -0.291 -0.240938564026647 -0.464054223381583 -0.6688 -0.966 3211043 TimTec1_000742 OC(=O)c1cc(/C=N/n2cnnc2)c3OCOCc3c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B17 compound treatment -0.115 0.0144 0.02 0.034 0.105 0.21 0.063 0.113061435973353 0.217759398861605 0.2577 0.8536 3211044 TimTec1_000743 Cc1nc(cs1)C2C(Oc3c(O)c(O)ccc3C2=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B18 compound treatment -0.331 -0.202 -0.29 0.006 0.0774 0.15 0.275 0.325061435973353 0.626077161334926 0.2843 0.403 3081317 TimTec1_000744 OC(CN1CC2CC(C1)c3cccc(=O)n3C2)/C=N/n4cnnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B19 compound treatment 0.754 0.883 1.26 0.891 0.962 1.9 0.771 0.821061435973353 1.58138664334798 2.7353 0.9864 3081354 TimTec1_000745 C(/C=C\c1ccccc1)N2CCN(Cn3nnc4ccccc34)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B20 compound treatment -0.014 0.115 0.16 0.286 0.357 0.71 0.204 0.254061435973353 0.489329231449993 0.7847 0.8975 3081321 TimTec1_000746 CC(CN1CC2CC(C1)c3cccc(=O)n3C2)SC(=N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B21 compound treatment -1.164 -1.03 -1.47 -0.222 -0.151 -0.3 -0.22 -0.169938564026647 -0.32730629349665 -1.2099 -0.7877 1281576 TimTec1_000747 CN(C1CCCCC1)S(=O)(=O)c2ccc(NC(=O)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B22 compound treatment -0.573 -0.444 -0.63 -0.397 -0.326 -0.64 -0.412 -0.361938564026647 -0.697103512340413 -1.1377 -0.999 1293326 TimTec1_000748 CC1(C)CC(=O)C2=C(C1)Nc3ccc4ccccc4c3C2c5cccnc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B23 mock treatment 0.619 0.748 1.06 0.129 0.2 0.4 0.053 0.103061435973353 0.198499127046825 0.9574 0.8307 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 B24 mock treatment -0.145 -0.0156 -0.02 -0.517 -0.446 -0.88 -0.282 -0.231938564026647 -0.446719978748282 -0.7786 -0.789 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C01 compound treatment -0.5 -0.371 -0.53 -0.25 -0.179 -0.35 -0.059 -0.008938564026647 -0.017215917278703 -0.5177 -0.8163 3081323 TimTec1_000749 CC1CCN(CC1)C(=O)c2cc(Cl)ccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C02 compound treatment -0.204 -0.0746 -0.11 0.114 0.185 0.37 -0.169 -0.118938564026647 -0.229078907241275 0.0179 0.0403 1165155 TimTec1_000750 CCN(CC)C(=O)c1cnn(c1NC(=O)c2ccco2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C03 compound treatment 1.113 1.24 1.68 0.1 0.171 0.34 0.684 0.734061435973353 1.4138222785594 1.9792 0.8921 3081325 TimTec1_000751 CCN(CC)c1ccc(/C=N/O)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C04 compound treatment -1.019 -0.89 -1.26 -1.031 -0.96 -1.89 -0.772 -0.721938564026647 -1.39047329767247 -2.6269 -0.9843 1058529 TimTec1_000752 OC(=O)c1ccccc1N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C05 compound treatment -0.847 -0.718 -1.02 -0.697 -0.626 -1.24 -0.315 -0.264938564026647 -0.510278875737053 -1.5968 -0.9497 1643767 TimTec1_000753 CSc1nc2ccccc2n1CC(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C06 compound treatment -0.077 0.0524 0.07 0.273 0.344 0.68 -0.381 -0.330938564026647 -0.637396669714597 0.0677 0.0724 1016928 TimTec1_000754 CC(C)CNC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C07 compound treatment 0.519 0.648 0.92 2.029 2.1 2.79 0.007 0.057061435973353 0.109901876698841 2.2069 0.7504 3211045 TimTec1_000755 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C08 compound treatment -0.169 -0.0396 -0.06 0.0 0.0714 0.14 0.072 0.122061435973353 0.235093643494906 0.1847 0.6598 1586419 TimTec1_000756 CC1CC2OC(C)(C)OC2C(OC(=O)c3ccccc3)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C09 compound treatment -0.051 0.0784 0.11 0.294 0.365 0.72 -0.173 -0.122938564026647 -0.236783015967187 0.3443 0.4485 1233022 TimTec1_000757 CC(C)CCOc1ccccc1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C10 compound treatment 0.068 0.197 0.28 -0.545 -0.474 -0.94 -0.067 -0.016938564026647 -0.0326241347305264 -0.3966 -0.4061 3081330 TimTec1_000758 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C11 compound treatment 0.156 0.285 0.41 -1.785 -1.71 -3.38 -2.247 -2.19693856402665 -4.23136339035242 -4.1621 -0.7661 3211046 TimTec1_000759 FC(F)(F)c1cc(no1)c2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C12 compound treatment -0.338 -0.209 -0.3 -0.478 -0.407 -0.8 -0.656 -0.605938564026647 -1.16705414462103 -1.3085 -0.9042 3081332 TimTec1_000760 Cc1cccc(c1)C(=O)N(CC#N)CC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C13 compound treatment -0.475 -0.346 -0.49 -0.433 -0.362 -0.71 -0.349 -0.298938564026647 -0.575763799907303 -1.0283 -0.9883 3211047 TimTec1_000761 O=C(NN1C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C14 compound treatment -0.348 -0.219 -0.31 -0.042 0.0294 0.06 0.115 0.165061435973353 0.317912812298457 0.0377 0.084 1022870 TimTec1_000762 O=C(NCc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C15 compound treatment 0.714 0.843 1.2 -0.05 0.0214 0.04 -0.059 -0.008938564026647 -0.017215917278703 0.7068 0.589 3211048 TimTec1_000763 C(=N/c1cccnc1)\c2c[nH]c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C16 compound treatment -1.1 -0.971 -1.38 -0.473 -0.402 -0.79 -0.765 -0.714938564026647 -1.37699110740212 -2.0495 -0.9738 1045873 TimTec1_000764 O=S(=O)(NCCc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C17 compound treatment -0.903 -0.774 -1.1 -0.672 -0.601 -1.19 -0.792 -0.741938564026647 -1.42899384130203 -2.1447 -0.9937 3211049 TimTec1_000765 Cc1c(/N=C/c2cccc(C)c2)c(=O)n(c3ccccc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C18 compound treatment -0.631 -0.502 -0.71 -0.552 -0.481 -0.95 0.119 0.169061435973353 0.325616921024369 -0.7716 -0.6269 1634239 TimTec1_000766 O=C(CCCC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C19 compound treatment -1.328 -1.2 -1.7 -0.508 -0.437 -0.86 0.086 0.136061435973353 0.262058024035597 -1.3303 -0.6901 3081336 TimTec1_000767 O=C(CSc1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C20 compound treatment -0.235 -0.106 -0.15 -0.422 -0.351 -0.69 -0.273 -0.222938564026647 -0.42938573411498 -0.7342 -0.8864 1173423 TimTec1_000768 CCOC(=O)C1=C(C(=O)c2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C21 compound treatment 0.367 0.496 0.71 -0.094 -0.0226 -0.04 -0.184 -0.133938564026647 -0.257969314963444 0.2328 0.3093 1130405 TimTec1_000769 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32CCN(Cc4ccccc4)CC3)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C22 compound treatment 0.02 0.149 0.21 0.08 0.151 0.3 -0.091 -0.040938564026647 -0.0788487870859968 0.2498 0.6657 3211050 TimTec1_000770 Cc1cc(c2c(n1)sc3c(=O)[nH]c(C)nc32)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C23 mock treatment 0.387 0.516 0.73 0.086 0.157 0.31 0.0 0.050061435973353 0.096419686428495 0.659 0.8206 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 C24 mock treatment 0.282 0.411 0.58 0.597 0.668 1.32 -0.014 0.036061435973353 0.069455305887804 1.1398 0.7886 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D01 compound treatment -0.386 -0.257 -0.36 -0.171 -0.0996 -0.2 0.096 0.146061435973353 0.281318295850376 -0.1617 -0.3228 1332544 TimTec1_000771 CCCN1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D02 compound treatment -1.087 -0.958 -1.36 -0.166 -0.0946 -0.19 -0.618 -0.567938564026647 -1.09386511172487 -1.5254 -0.8685 1267101 TimTec1_000772 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D03 compound treatment -0.558 -0.429 -0.61 -1.824 -1.75 -3.46 -0.795 -0.744938564026647 -1.43477192284646 -3.1781 -0.8374 3211051 TimTec1_000773 C(/N=C/C1=CSC=CN1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D04 compound treatment -1.34 -1.21 -1.72 -0.716 -0.645 -1.27 -0.712 -0.661938564026647 -1.27491166678379 -2.4646 -0.9892 1527522 TimTec1_000774 S=c1n(CN2CCCCC2)nc(c3ccccc3)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D05 compound treatment -0.286 -0.157 -0.22 0.74 0.811 1.6 0.317 0.367061435973353 0.706970302956999 1.2047 0.6824 1323715 TimTec1_000775 CC1C=C(C)C2C(C)C1COC2c3ccc(OC(=O)NC4CCCCC4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D06 compound treatment -0.727 -0.598 -0.85 -0.944 -0.873 -1.72 -0.169 -0.118938564026647 -0.229078907241275 -1.6175 -0.8361 1445377 TimTec1_000776 CC12CCC(C(=O)CO)C2(C)CCC3(C)C4(C)CCC(=O)C=C4CCC13C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D07 compound treatment -0.418 -0.289 -0.41 -1.227 -1.16 -2.28 -0.86 -0.809938564026647 -1.55996368964253 -2.4549 -0.8785 3209076 TimTec1_000777 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D08 compound treatment -0.231 -0.102 -0.14 -0.189 -0.118 -0.23 0.68 0.730061435973353 1.40611816983349 0.5944 0.415 1519326 TimTec1_000778 CCOC(=O)C1=C(CC2=C1CCCC2)NC(=S)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D09 compound treatment 0.066 0.195 0.28 -0.615 -0.544 -1.07 -0.234 -0.183938564026647 -0.354270674037341 -0.6638 -0.5703 1679838 TimTec1_000779 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D10 compound treatment -1.204 -1.07 -1.53 -0.187 -0.116 -0.23 -1.657 -1.60693856402665 -3.09500735328044 -2.8007 -0.8097 1574797 TimTec1_000780 CCCC(=O)Nc1ccc(N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D11 compound treatment 0.161 0.29 0.41 0.395 0.466 0.92 0.167 0.217061435973353 0.41806622573531 1.0115 0.9259 3209077 TimTec1_000781 CCOC(=O)c1c(NC(=O)OC)sc2CCCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D12 compound treatment 0.127 0.256 0.36 -0.192 -0.121 -0.24 -0.131 -0.080938564026647 -0.155889874345114 -0.017 -0.0367 1560316 TimTec1_000782 CCOC(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D13 compound treatment -1.0 -0.871 -1.24 -0.922 -0.851 -1.68 -0.362 -0.311938564026647 -0.600802153266516 -2.0311 -0.9355 3081341 TimTec1_000783 Nc1nc(nc(n1)C(F)(F)F)N(Cc2ccccc2)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D14 compound treatment -0.082 0.0474 0.07 -0.096 -0.0246 -0.05 0.03 0.080061435973353 0.154200501872833 0.0999 0.5707 3209078 TimTec1_000784 Cc1ccoc1CC[N+](C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D15 compound treatment 0.61 0.739 1.05 0.943 1.01 2.0 0.693 0.743061435973353 1.4311565231927 2.5897 0.9674 1672714 TimTec1_000785 COc1ccccc1CC(=O)N(CC=C)CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D16 compound treatment -0.707 -0.578 -0.82 -1.031 -0.96 -1.89 -0.569 -0.518938564026647 -0.999489779832448 -2.1451 -0.935 3209079 TimTec1_000786 C1COc2cccc(/C=N\n3cnnc3)c2OC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D17 compound treatment -0.215 -0.0856 -0.12 0.149 0.22 0.44 -0.039 0.011061435973353 0.0213046263508557 0.1933 0.4273 3209080 TimTec1_000787 CCC(O)c1ccc2c(=O)c(coc2c1)c3ccccc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D18 compound treatment -0.025 0.104 0.15 -0.285 -0.214 -0.42 0.0 0.050061435973353 0.096419686428495 -0.1021 -0.2232 3209081 TimTec1_000788 Cc1c(/N=C/C(O)CN2CC3CC(C2)c4cccc(=O)n4C3)c(=O)n(c5ccccc5)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D19 compound treatment -0.716 -0.587 -0.83 -0.932 -0.861 -1.7 -0.367 -0.316938564026647 -0.610432289173906 -1.815 -0.9126 3081342 TimTec1_000789 CC(C)Cc1ccc(/C=C/C(=O)N2CCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D20 compound treatment -1.967 -1.84 -2.61 -1.984 -1.91 -3.78 -2.581 -2.53093856402665 -4.87465646896605 -6.5031 -0.9711 3081343 TimTec1_000790 CC(=O)N1CCCCC1c2cccnc2.[O-][N+](=O)O[Ag] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D21 compound treatment 0.138 0.267 0.38 0.035 0.106 0.21 -0.111 -0.060938564026647 -0.117369330715555 0.2731 0.6069 1588159 TimTec1_000791 CS(=O)(=O)Nc1ccc2CCc3cccc1c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D22 compound treatment -0.339 -0.21 -0.3 -0.842 -0.771 -1.52 -0.206 -0.155938564026647 -0.300341912955959 -1.2239 -0.775 1287290 TimTec1_000792 COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D23 mock treatment -0.102 0.0274 0.04 0.422 0.493 0.97 0.365 0.415061435973353 0.79941960766794 1.0466 0.83 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 D24 mock treatment 0.714 0.843 1.2 -0.192 -0.121 -0.24 0.098 0.148061435973353 0.285170350213332 0.7195 0.5732 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E01 compound treatment -1.789 -1.66 -2.36 -1.355 -1.28 -2.53 -0.711 -0.660938564026647 -1.27298563960231 -3.5605 -0.9651 1535367 TimTec1_000793 CCC(C)c1ccc(NC(=O)c2ccc(cc2)N(CC)CC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E02 compound treatment -0.257 -0.128 -0.18 -0.289 -0.218 -0.43 0.123 0.173061435973353 0.333321029750281 -0.1603 -0.2797 1215550 TimTec1_000794 CC(C)(C)C(=O)Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E03 compound treatment -0.16 -0.0306 -0.04 -0.124 -0.0526 -0.1 0.308 0.358061435973353 0.689636058323698 0.3131 0.4481 1689344 TimTec1_000795 Clc1ccc(cc1)C(=O)COC(=O)c2cccc(NC(=O)Cc3ccccc3)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E04 compound treatment 0.747 0.876 1.25 0.403 0.474 0.94 0.081 0.131061435973353 0.252427888128207 1.406 0.8903 3209082 TimTec1_000796 O(c1ccccc1)c2ccc(/C=N/c3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E05 compound treatment 0.634 0.763 1.09 0.222 0.293 0.58 0.731 0.781061435973353 1.50434555608886 1.8297 0.9415 3081345 TimTec1_000797 NC(CSCc1oc(cc1C(=O)O)c2ccccc2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E06 compound treatment -0.734 -0.605 -0.86 -0.49 -0.419 -0.83 -0.418 -0.367938564026647 -0.70865967542928 -1.3826 -0.9967 1921518 TimTec1_000798 COc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E07 compound treatment -0.881 -0.752 -1.07 -0.44 -0.369 -0.73 -0.536 -0.485938564026647 -0.935930882843676 -1.5775 -0.9883 1601233 TimTec1_000799 OC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E08 compound treatment -0.545 -0.416 -0.59 -0.192 -0.121 -0.24 -0.195 -0.144938564026647 -0.279155613959702 -0.6398 -0.9198 3081347 TimTec1_000800 CCOC1(C)OC2CCC(CC)OC2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E09 compound treatment -0.256 -0.127 -0.18 -0.109 -0.0376 -0.07 -0.139 -0.088938564026647 -0.171298091796938 -0.2456 -0.9473 3082473 TimTec1_000801 CCc1ccc(cc1)C(=O)CSc2nnc(c3cccc(OC)c3)n2CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E10 compound treatment -1.632 -1.5 -2.14 -0.487 -0.416 -0.82 -1.652 -1.60193856402665 -3.08537721737305 -3.4885 -0.9081 3082474 TimTec1_000802 COc1cc(/N=C/c2cc3cccc(C)c3nc2Cl)c(OC)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E11 compound treatment 0.071 0.2 0.28 -1.036 -0.965 -1.9 -1.115 -1.06493856402665 -2.0511006209194 -2.1193 -0.7533 3209083 TimTec1_000803 CCCC[n+]1cc(nc(n1)N2CCCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E12 compound treatment 0.522 0.651 0.93 -0.83 -0.759 -1.5 -0.972 -0.921938564026647 -1.77567873396805 -1.3552 -0.5419 3209084 TimTec1_000804 O=C(Cc1ccccc1)NC2CCCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E13 compound treatment -0.506 -0.377 -0.54 -0.1 -0.0286 -0.06 -0.18 -0.129938564026647 -0.250265206237533 -0.4862 -0.8189 1914322 TimTec1_000805 Clc1ccc(/N=C/c2c[nH]c3ccccc23)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E14 compound treatment -0.976 -0.847 -1.2 -0.397 -0.326 -0.64 -0.208 -0.157938564026647 -0.304193967318915 -1.2417 -0.8882 1916639 TimTec1_000806 O=C(c1ccccc1)n2cnc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E15 compound treatment -0.987 -0.858 -1.22 -0.224 -0.153 -0.3 0.259 0.309061435973353 0.595260726431279 -0.5342 -0.3844 1607222 TimTec1_000807 COc1ccc(cc1)C2(Cc3nc4ccccc4[nH]3)C(=O)c5ccccc5C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E16 compound treatment -0.747 -0.618 -0.88 -0.636 -0.565 -1.11 -0.7 -0.649938564026647 -1.25179934060606 -1.8733 -0.99 1418431 TimTec1_000808 O=S(=O)(NC(c1ccccc1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E17 compound treatment -0.299 -0.17 -0.24 -1.065 -0.994 -1.96 -1.287 -1.23693856402665 -2.3823772961336 -2.6473 -0.8552 3082475 TimTec1_000809 Fc1ccc(/C=N/c2ccc(I)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E18 compound treatment -0.437 -0.308 -0.44 0.286 0.357 0.71 0.272 0.322061435973353 0.620299079790492 0.5131 0.4951 1450437 TimTec1_000810 COC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc(c1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E19 compound treatment -0.104 0.0254 0.04 0.0 0.0714 0.14 -0.024 0.026061435973353 0.0501950340730246 0.1313 0.8523 1573675 TimTec1_000811 O=C(C1c2ccccc2Oc3ccccc13)N4CCCc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E20 compound treatment -0.347 -0.218 -0.31 -0.566 -0.495 -0.98 -0.139 -0.088938564026647 -0.171298091796938 -0.8413 -0.8101 1156098 TimTec1_000812 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)C5=C(O1)C(=O)CCC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E21 compound treatment -0.269 -0.14 -0.2 -0.089 -0.0176 -0.03 0.025 0.075061435973353 0.144570365965443 -0.0511 -0.2062 1774639 TimTec1_000813 [O-][n+]1onc2c3cc([nH]c3ccc12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E22 compound treatment -1.596 -1.47 -2.09 2.657 2.73 3.03 -1.758 -1.70793856402665 -3.28953609860971 -1.3533 -0.2742 1601319 TimTec1_000814 CCOc1ccc(cc1)C2(C)CC(C)(C)Nc3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E23 mock treatment -0.429 -0.3 -0.43 -0.167 -0.0956 -0.19 0.198 0.248061435973353 0.477773068361126 -0.079 -0.1184 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 E24 mock treatment -0.735 -0.606 -0.86 -0.109 -0.0376 -0.07 -0.162 -0.111938564026647 -0.21559671697093 -0.6644 -0.7459 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F01 compound treatment -0.757 -0.628 -0.89 -0.672 -0.601 -1.19 -0.279 -0.228938564026647 -0.440941897203848 -1.4544 -0.9394 3209085 TimTec1_000815 Oc1n[nH]c(c1C(C(C#N)C#N)c2ccsc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F02 compound treatment -0.59 -0.461 -0.65 -0.531 -0.46 -0.91 -0.244 -0.193938564026647 -0.37353094585212 -1.1176 -0.9474 1492048 TimTec1_000816 C(C1NCC=N1)c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F03 compound treatment -0.238 -0.109 -0.15 0.014 0.0854 0.17 -0.162 -0.111938564026647 -0.21559671697093 -0.1162 -0.3698 3209086 TimTec1_000817 O=c/1[nH]c2ccccc2[nH]\c1=N/C(=S)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F04 compound treatment -1.46 -1.33 -1.89 -1.328 -1.26 -2.48 -0.691 -0.640938564026647 -1.23446509597276 -3.2374 -0.9648 1173360 TimTec1_000818 COc1ccc(cc1OC)C(=O)NC(CO)(CO)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F05 compound treatment -0.783 -0.654 -0.93 0.105 0.176 0.35 0.197 0.247061435973353 0.475847041179648 -0.0606 -0.0551 1399424 TimTec1_000819 C1C2C(Oc3ccccc3C2Oc4ccccc14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F06 compound treatment -1.606 -1.48 -2.1 -0.109 -0.0376 -0.07 -0.455 -0.404938564026647 -0.779922681143964 -1.7052 -0.761 1110045 TimTec1_000820 CN(C1CCCCC1)S(=O)(=O)c2ccc(N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F07 compound treatment 0.742 0.871 1.24 0.404 0.475 0.94 0.29 0.340061435973353 0.654967569057095 1.6354 0.9696 3209087 TimTec1_000821 CC(C)C1=C2CCCCC2NC(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F08 compound treatment -1.323 -1.19 -1.7 -1.06 -0.989 -1.95 -0.452 -0.401938564026647 -0.77414459959953 -2.5537 -0.9459 1005088 TimTec1_000822 COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F09 compound treatment -1.307 -1.18 -1.67 -0.327 -0.256 -0.5 -0.571 -0.520938564026647 -1.0033418341954 -1.8373 -0.9113 1428753 TimTec1_000823 CC(=O)Nc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F10 compound treatment -1.495 -1.37 -1.94 -1.613 -1.54 -3.04 -1.376 -1.32593856402665 -2.55379371528514 -4.3528 -0.9843 1121309 TimTec1_000824 CCCC(=O)Nc1cccc(N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F11 compound treatment 0.13 0.259 0.37 -0.024 0.0474 0.09 -0.792 -0.741938564026647 -1.42899384130203 -0.558 -0.3773 1703558 TimTec1_000825 NC1=C(C#N)C2=CCCCC2C3(C(=O)N(Cc4ccccc4)c5ccccc53)C1(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F12 compound treatment 0.027 0.156 0.22 -0.067 0.00444 0.01 0.186 0.236061435973353 0.45466074218339 0.3959 0.7822 1304433 TimTec1_000826 CN(C)CC#CC1(O)CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F13 compound treatment 0.42 0.549 0.78 0.586 0.657 1.3 0.403 0.453061435973353 0.872608640564102 1.7043 0.9748 3209088 TimTec1_000827 CN(C)c1ccc(/C=C/2\CSC(=S)NC2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F14 compound treatment 0.342 0.471 0.67 -1.547 -1.48 -2.91 -0.962 -0.911938564026647 -1.75641846215328 -2.3092 -0.666 3082476 TimTec1_000828 CC/1(OCO\C1=C/C[N+](C)(C)C)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F15 compound treatment -0.522 -0.393 -0.56 -0.212 -0.141 -0.28 -0.254 -0.203938564026647 -0.3927912176669 -0.7093 -0.9626 3209089 TimTec1_000829 COc1ccccc1CC(=O)N2CCCC(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F16 compound treatment -0.742 -0.613 -0.87 -0.4 -0.329 -0.65 -0.303 -0.252938564026647 -0.487166549559318 -1.1587 -0.9734 3082477 TimTec1_000830 C(=N/n1cnnc1)\c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F17 compound treatment -3.098 -2.97 -4.22 -1.825 -1.75 -3.46 -0.907 -0.856938564026647 -1.65048696717199 -5.3888 -0.9449 1177709 TimTec1_000831 CCc1cc(c2n[nH]cc2c3nc(C)cs3)c(O)cc1OC(C)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F18 compound treatment -0.706 -0.577 -0.82 0.362 0.433 0.86 -0.069 -0.018938564026647 -0.0364761890934823 -2.0E-4 -2.0E-4 3082478 TimTec1_000832 Cc1c(/N=C\C2CCCN3CCCCC23)c(=O)n(c4ccccc4)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F19 compound treatment -1.0 -0.871 -1.24 -0.562 -0.491 -0.97 -0.639 -0.588938564026647 -1.1343116825359 -1.9288 -0.9951 3209090 TimTec1_000833 COc1cc(Br)cc(CNc2cc(C)on2)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F20 compound treatment -0.059 0.0704 0.1 0.125 0.196 0.39 0.295 0.345061435973353 0.664597704964485 0.6654 0.8575 3209091 TimTec1_000834 O=C(/C=C/c1ccccc1)N2CCCCC2c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F21 compound treatment -1.027 -0.898 -1.28 -0.455 -0.384 -0.76 -0.642 -0.591938564026647 -1.14008976408034 -1.8323 -0.9791 3082479 TimTec1_000835 COc1ccc(NC(=S)SC)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F22 compound treatment -0.798 -0.669 -0.95 -0.919 -0.848 -1.67 -0.802 -0.751938564026647 -1.44825411311681 -2.3512 -0.9761 1375719 TimTec1_000836 CCCC1=C(C(NC(=O)N1)c2cc(Br)c(O)c(OC)c2)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F23 mock treatment -0.06 0.0694 0.1 0.111 0.182 0.36 0.111 0.161061435973353 0.310208703572545 0.4441 0.9146 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 F24 mock treatment 0.29 0.419 0.6 0.034 0.105 0.21 0.029 0.079061435973353 0.152274474691355 0.5524 0.8502 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G01 compound treatment -0.103 0.0264 0.04 -0.033 0.0384 0.08 0.0 0.050061435973353 0.096419686428495 0.1212 0.9442 1641121 TimTec1_000837 CCC(C)NC(=O)c1ccc(cc1)N(CC)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G02 compound treatment -0.451 -0.322 -0.46 -0.138 -0.0666 -0.13 -0.125 -0.074938564026647 -0.144333711256246 -0.4232 -0.8512 1504788 TimTec1_000838 Clc1cccc(c1)c2nc3n(ncc3c(=O)o2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G03 compound treatment -2.017 -1.89 -2.68 -1.712 -1.64 -3.24 -0.988 -0.937938564026647 -1.8064951688717 -4.4627 -0.9748 1392995 TimTec1_000839 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G04 compound treatment -1.197 -1.07 -1.52 -0.613 -0.542 -1.07 -0.797 -0.746938564026647 -1.43862397720942 -2.3243 -0.9896 1261047 TimTec1_000840 O=C1NC(C(N1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G05 compound treatment -1.552 -1.42 -2.02 -1.298 -1.23 -2.42 -0.924 -0.873938564026647 -1.68322942925711 -3.5378 -0.9893 3082481 TimTec1_000841 Sc1nccn1CCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G06 compound treatment -0.806 -0.677 -0.96 -0.302 -0.231 -0.46 0.08 0.130061435973353 0.25050186094673 -0.6736 -0.6161 1044409 TimTec1_000842 O=C(Nc1ccccc1)C(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G07 compound treatment -0.155 -0.0256 -0.04 0.0 0.0714 0.14 0.101 0.151061435973353 0.290948431757766 0.2284 0.702 1679314 TimTec1_000843 NC(=O)C1C(C2CCC1C2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G08 compound treatment -2.153 -2.02 -2.88 -1.21 -1.14 -2.25 -0.716 -0.665938564026647 -1.2826157755097 -3.6996 -0.956 3082485 TimTec1_000844 Clc1ccc(/N=C/c2ccc(Br)o2)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G09 compound treatment -0.5 -0.371 -0.53 -0.475 -0.404 -0.8 -0.429 -0.378938564026647 -0.729845974425538 -1.1856 -0.9862 1181154 TimTec1_000845 O=c1n(c(SCc2ccc3OCOc3c2)nc4ccccc14)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G10 compound treatment -1.115 -0.986 -1.4 -1.5 -1.43 -2.82 -1.297 -1.24693856402665 -2.40163756794838 -3.8242 -0.9655 3082487 TimTec1_000846 Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G11 compound treatment -0.097 0.0324 0.05 0.072 0.143 0.28 -0.053 -0.002938564026647 -0.00565975418983537 0.1869 0.6511 1384410 TimTec1_000847 CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(nc(nn12)N3CCOCC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G12 compound treatment 0.097 0.226 0.32 -1.11 -1.04 -2.05 -1.493 -1.44293856402665 -2.77913889551806 -2.6026 -0.7503 1271027 TimTec1_000848 COc1ccc(CC(=O)NCC(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G13 compound treatment -0.418 -0.289 -0.41 -0.317 -0.246 -0.48 -0.031 0.019061435973353 0.0367128438026791 -0.4956 -0.779 3209212 TimTec1_000849 Cc1ccc(/N=C/c2c[nH]c3ccccc23)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G14 compound treatment -0.85 -0.721 -1.02 -0.765 -0.694 -1.37 -0.403 -0.352938564026647 -0.679769267707112 -1.7746 -0.9643 1290233 TimTec1_000850 Brc1ccc(cc1)S(=O)(=O)N2CCCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G15 compound treatment -0.46 -0.331 -0.47 -0.582 -0.511 -1.01 -0.377 -0.326938564026647 -0.629692560988685 -1.217 -0.9521 3209213 TimTec1_000851 CCCNc1nc(Cl)nc(NCCC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G16 compound treatment -0.983 -0.854 -1.21 -0.734 -0.663 -1.31 -0.705 -0.654938564026647 -1.26142947651345 -2.1843 -0.9995 1275135 TimTec1_000852 O=S(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G17 compound treatment -1.533 -1.4 -2.0 -1.228 -1.16 -2.28 -0.626 -0.575938564026647 -1.10927332917669 -3.1111 -0.9634 3209214 TimTec1_000853 NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G18 compound treatment -0.909 -0.78 -1.11 -0.281 -0.21 -0.41 -0.279 -0.228938564026647 -0.440941897203848 -1.1334 -0.8977 3082492 TimTec1_000854 COc1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G19 compound treatment -0.733 -0.604 -0.86 -0.031 0.0404 0.08 -0.374 -0.323938564026647 -0.623914479444251 -0.8096 -0.7609 3209215 TimTec1_000855 Cc1cc(nn1CC(=O)Nc2sc(C)c(C)c2C(=O)N)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G20 compound treatment -1.035 -0.906 -1.29 -0.422 -0.351 -0.69 -0.4 -0.349938564026647 -0.673991186162678 -1.5321 -0.9518 1545537 TimTec1_000856 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)COc4ccc(Br)cc4)cc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G21 compound treatment 0.074 0.203 0.29 -0.106 -0.0346 -0.07 -0.211 -0.160938564026647 -0.309972048863349 -0.0514 -0.1197 1150900 TimTec1_000857 On1c(nc-2c1CCc3nonc32)c4ccccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G22 compound treatment -1.188 -1.06 -1.51 -2.053 -1.98 -3.91 -1.817 -1.76693856402665 -3.40317170231691 -5.0927 -0.9432 3082530 TimTec1_000858 Cc1cc(C)c(C#N)c(SCc2cc(O)[nH]n2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G23 mock treatment -0.059 0.0704 0.1 0.0 0.0714 0.14 0.053 0.103061435973353 0.198499127046825 0.2538 0.9641 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 G24 mock treatment -0.984 -0.855 -1.22 -0.014 0.0574 0.11 0.042 0.092061435973353 0.177312828050568 -0.5337 -0.4328 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H01 compound treatment -0.206 -0.0766 -0.11 -0.69 -0.619 -1.22 0.123 0.173061435973353 0.333321029750281 -0.5756 -0.453 1198410 TimTec1_000859 Cc1[nH]nc(O)c1C2(C(C#N)C#N)C3CC4CC(C3)CC2C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H02 compound treatment -1.06 -0.931 -1.32 -0.795 -0.724 -1.43 -0.455 -0.404938564026647 -0.779922681143964 -2.039 -0.9721 3209216 TimTec1_000860 Cc1ccc(OCc2nnc(S)n2c3ccccc3)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H03 compound treatment -0.416 -0.287 -0.41 -0.468 -0.397 -0.78 -0.333 -0.282938564026647 -0.544947365003656 -1.002 -0.9659 1739416 TimTec1_000861 CCN(CC)c1[nH]nnc1c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H04 compound treatment 1.186 1.32 1.72 -0.683 -0.612 -1.21 -0.5 -0.449938564026647 -0.866593904310471 -0.2059 -0.0907 3082533 TimTec1_000862 CCOC(=O)c1ccc(SC)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H05 compound treatment -0.196 -0.0666 -0.09 -0.043 0.0284 0.06 -0.015 0.035061435973353 0.067529278706326 0.0167 0.1297 1302286 TimTec1_000863 O=C(C1CC2CCC1C2)N3CCN(CC3)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H06 compound treatment -0.083 0.0464 0.07 -0.515 -0.444 -0.88 -0.824 -0.773938564026647 -1.49062671110932 -1.3282 -0.7677 1696584 TimTec1_000864 COc1ccc(cc1)C2OC(=O)c3ccccc3S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H07 compound treatment 0.039 0.168 0.24 0.284 0.355 0.7 0.458 0.508061435973353 0.978540135545388 1.1084 0.9028 1246999 TimTec1_000865 CC1C=C(C)C2C(C)C1(COC(=O)NC3CCCCC3)COC42CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H08 compound treatment -0.439 -0.31 -0.44 -0.119 -0.0476 -0.09 0.197 0.247061435973353 0.475847041179648 -0.0336 -0.0513 3209217 TimTec1_000866 Sc1nnc(COc2ccccc2)n1CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H09 compound treatment 0.317 0.446 0.63 -0.033 0.0384 0.08 -0.159 -0.108938564026647 -0.209818635426496 0.2891 0.4297 1579810 TimTec1_000867 Clc1ccc(cc1)C(=O)N2CCCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H10 compound treatment -1.333 -1.2 -1.71 -1.5 -1.43 -2.82 -1.556 -1.50593856402665 -2.90047860795117 -4.2911 -0.9768 1114790 TimTec1_000868 Cc1ccc(OCC(=O)O)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H11 compound treatment 0.033 0.162 0.23 -0.557 -0.486 -0.96 0.361 0.411061435973353 0.791715498942028 0.0369 0.0292 1201078 TimTec1_000869 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H12 compound treatment 0.226 0.355 0.51 -0.887 -0.816 -1.61 -0.794 -0.743938564026647 -1.43284589566498 -1.4652 -0.6618 1549339 TimTec1_000870 CC(O)(C#CCN1CCOCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H13 compound treatment -0.604 -0.475 -0.67 -0.216 -0.145 -0.29 0.115 0.165061435973353 0.317912812298457 -0.3708 -0.4643 3209218 TimTec1_000871 Clc1ccccc1/C=C/2\SC3NC(=NN3C2=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H14 compound treatment 0.18 0.309 0.44 -0.215 -0.144 -0.28 -0.169 -0.118938564026647 -0.229078907241275 -0.0419 -0.0734 3082538 TimTec1_000872 CC/1(C)OC(=O)N(\C1=C/C[N+](C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H15 compound treatment -0.672 -0.543 -0.77 -0.384 -0.313 -0.62 -0.169 -0.118938564026647 -0.229078907241275 -0.934 -0.9209 1740713 TimTec1_000873 COc1ccccc1CC(=O)Nc2cccc(NC(=O)C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H16 compound treatment -0.943 -0.814 -1.16 -0.504 -0.433 -0.85 -0.915 -0.864938564026647 -1.66589518462381 -2.1228 -0.9646 1298167 TimTec1_000874 CC(=C1C(=O)NC(=O)NC1=O)c2ccc(N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H17 compound treatment -0.82 -0.691 -0.98 -0.141 -0.0696 -0.14 -0.359 -0.308938564026647 -0.595024071722082 -0.9897 -0.856 3209219 TimTec1_000875 Fc1ccc(cc1)S(=O)(=O)N(C2CCS(=O)(=O)C2)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H18 compound treatment -0.102 0.0274 0.04 -0.27 -0.199 -0.39 -0.329 -0.278938564026647 -0.537243256277745 -0.514 -0.7716 1208196 TimTec1_000876 O=C(N1CC2CC(C1)c3cccc(=O)n3C2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H19 compound treatment 0.099 0.228 0.32 -0.013 0.0584 0.12 -0.013 0.037061435973353 0.0713813330692819 0.2953 0.8391 3082542 TimTec1_000877 CC(=O)NCCOc1c(C)cccc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H20 compound treatment -0.687 -0.558 -0.79 -0.346 -0.275 -0.54 -0.277 -0.226938564026647 -0.437089842840892 -1.0231 -0.9695 3082544 TimTec1_000878 COc1ccc(OCCSc2nc3ccccc3n2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H21 compound treatment 0.593 0.722 1.03 -0.101 -0.0296 -0.06 0.068 0.118061435973353 0.227389534768994 0.6906 0.6555 1488809 TimTec1_000879 CC1CCCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H22 compound treatment -0.667 -0.538 -0.76 -0.036 0.0354 0.07 -1.822 -1.77193856402665 -3.4128018382243 -2.3713 -0.6779 1442845 TimTec1_000880 C(Sc1nc(c(o1)c2ccccc2)c3ccccc3)C4COc5ccccc5O4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H23 mock treatment 0.211 0.34 0.48 -0.103 -0.0316 -0.06 0.158 0.208061435973353 0.400731981102008 0.4748 0.752 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 H24 mock treatment -0.782 -0.653 -0.93 0.09 0.161 0.32 0.032 0.082061435973353 0.158052556235789 -0.2604 -0.262 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I01 compound treatment -0.156 -0.0266 -0.04 0.104 0.175 0.35 -0.261 -0.210938564026647 -0.406273407937245 -0.0564 -0.1054 1191196 TimTec1_000881 Cc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I02 compound treatment -0.039 0.0904 0.13 -0.255 -0.184 -0.36 -0.127 -0.076938564026647 -0.148185765619202 -0.2206 -0.5353 3082580 TimTec1_000882 O=c1oc(nc2sc3CCCCCc3c12)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I03 compound treatment -0.479 -0.35 -0.5 0.028 0.0994 0.2 0.167 0.217061435973353 0.41806622573531 0.0678 0.0999 1319708 TimTec1_000883 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I04 compound treatment -0.625 -0.496 -0.7 -1.221 -1.15 -2.27 -0.979 -0.928938564026647 -1.7891609242384 -2.7503 -0.9245 1427613 TimTec1_000884 Nc1ccc(cc1)C(C2NC(=O)c3ccccc23)c4ccc(N)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I05 compound treatment -0.058 0.0714 0.1 0.483 0.554 1.09 0.269 0.319061435973353 0.614520998246059 1.0455 0.83 1467312 TimTec1_000885 Cc1ccccc1NC(=O)CCC(=O)OC2CCC(CC2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I06 compound treatment -0.698 -0.569 -0.81 -0.314 -0.243 -0.48 -0.033 0.017061435973353 0.0328607894397233 -0.7243 -0.7703 1018245 TimTec1_000886 CCN(CC)C(=O)C(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I07 compound treatment -0.478 -0.349 -0.5 -0.362 -0.291 -0.57 -0.237 -0.186938564026647 -0.360048755581775 -0.8253 -0.9833 1540337 TimTec1_000887 O=C(C1C(C#N)C2CCC1C2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I08 compound treatment -0.467 -0.338 -0.48 -0.235 -0.164 -0.32 -0.268 -0.217938564026647 -0.419755598207591 -0.7059 -0.9876 3082583 TimTec1_000888 OC(=O)c1ccccc1/N=C/c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I09 compound treatment -0.13 -5.91E-4 0.0 0.018 0.0894 0.18 0.051 0.101061435973353 0.19464707268387 0.2139 0.8137 3209220 TimTec1_000889 Cn1c(SCc2ccc3OCOc3c2)nnc1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I10 compound treatment -1.202 -1.07 -1.52 -0.374 -0.303 -0.6 -1.365 -1.31493856402665 -2.53260741628888 -2.6876 -0.8911 3082586 TimTec1_000890 COC(=O)Nc1ccc(/N=C/c2cccs2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I11 compound treatment 0.356 0.485 0.69 -1.145 -1.07 -2.12 -0.614 -0.563938564026647 -1.08616100299896 -1.4525 -0.5857 3209221 TimTec1_000891 COc1nncc(n1)c2cnnc(SC)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I12 compound treatment 0.22 0.349 0.5 0.879 0.95 1.88 1.096 1.14606143597335 2.1102843528118 2.5887 0.9028 1639601 TimTec1_000892 COc1ccc(CC(=O)NN2CCN(CC2)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I13 compound treatment -0.621 -0.492 -0.7 -0.333 -0.262 -0.52 -0.152 -0.101938564026647 -0.196336445156151 -0.8151 -0.9148 3209222 TimTec1_000893 C1CCC(=Nn2cnnc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I14 compound treatment -0.529 -0.4 -0.57 -1.111 -1.04 -2.05 -0.521 -0.470938564026647 -0.907040475121507 -2.0368 -0.8799 1554764 TimTec1_000894 CN1CCN(CC1)S(=O)(=O)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I15 compound treatment -1.667 -1.54 -2.19 -0.227 -0.156 -0.31 -0.837 -0.786938564026647 -1.51566506446853 -2.3146 -0.8643 3209223 TimTec1_000895 CCOc1ccc2nc(/N=C/c3ccccc3O)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I16 compound treatment -0.511 -0.382 -0.54 -0.14 -0.0686 -0.14 -0.361 -0.310938564026647 -0.598876126085038 -0.7372 -0.8997 1340130 TimTec1_000896 CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I17 compound treatment -0.723 -0.594 -0.84 0.089 0.16 0.32 -1.12 -1.06993856402665 -2.06073075682679 -1.4941 -0.6643 1912630 TimTec1_000897 CCOC(=O)c1ccc(/N=C/c2ccccc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I18 compound treatment -0.586 -0.457 -0.65 -0.5 -0.429 -0.85 0.013 0.063061435973353 0.121458039787708 -0.7932 -0.739 1423694 TimTec1_000898 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I19 compound treatment -0.476 -0.347 -0.49 -0.255 -0.184 -0.36 -0.092 -0.041938564026647 -0.0807748142674747 -0.5404 -0.8758 3082591 TimTec1_000899 Nc1c(C#N)sc2nc(ccc12)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I20 compound treatment -0.026 0.103 0.15 -0.673 -0.602 -1.19 -0.482 -0.431938564026647 -0.831925415043868 -1.0812 -0.7418 3209224 TimTec1_000900 CSc1ccc(/N=C/N2C(=O)c3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I21 compound treatment 0.013 0.142 0.2 -0.089 -0.0176 -0.03 0.094 0.144061435973353 0.277466241487421 0.2571 0.7446 3082593 TimTec1_000901 Oc1[nH]c(=S)[nH]c(=O)c1CN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I22 compound treatment -0.023 0.106 0.15 0.439 0.51 1.01 0.434 0.484061435973353 0.932315483189917 1.2075 0.8742 3209346 TimTec1_000902 O=C([C@H]1[C@H](c2cccs2)C(C#N)(C#N)[C@H]3N1C=Cc4ccccc34)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I23 mock treatment -1.229 -1.1 -1.56 0.105 0.176 0.35 0.118 0.168061435973353 0.323690893842891 -0.5146 -0.3149 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 I24 mock treatment 0.506 0.635 0.9 0.019 0.0904 0.18 -0.062 -0.011938564026647 -0.0229939988231368 0.6114 0.6637 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J01 compound treatment -0.143 -0.0136 -0.02 0.429 0.5 0.99 0.25 0.300061435973353 0.577926481797978 0.893 0.78 1633418 TimTec1_000903 Oc1cc(O)c2sc3nc(ccc3c2n1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J02 compound treatment -0.069 0.0604 0.09 -0.687 -0.616 -1.22 -0.476 -0.425938564026647 -0.820369251955 -1.1258 -0.7664 1297117 TimTec1_000904 Nc1ccc(cc1)c2cc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J03 compound treatment -1.275 -1.15 -1.63 -1.095 -1.02 -2.02 -0.843 -0.792938564026647 -1.5272212275574 -2.989 -0.9925 3082596 TimTec1_000905 Sc1n[nH]nc1c2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J04 compound treatment -0.951 -0.822 -1.17 -0.534 -0.463 -0.91 -0.442 -0.391938564026647 -0.754884327784751 -1.6376 -0.9842 3209347 TimTec1_000906 CCOC(=O)c1ccc(cc1)S(=O)(=O)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J05 compound treatment -0.814 -0.685 -0.97 -0.25 -0.179 -0.35 -0.143 -0.092938564026647 -0.179002200522849 -0.8689 -0.827 1207815 TimTec1_000907 CC1C=C(C)C2C(C)C1COC2c3ccccc3OCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J06 compound treatment -1.964 -1.83 -2.61 -0.881 -0.81 -1.6 -1.585 -1.53493856402665 -2.95633339621403 -4.1357 -0.9721 1614670 TimTec1_000908 CC1CCCCN1S(=O)(=O)c2ccc(N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J07 compound treatment -0.564 -0.435 -0.62 -0.224 -0.153 -0.3 -0.043 0.007061435973353 0.013600517624944 -0.5228 -0.7604 1620705 TimTec1_000909 CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J08 compound treatment -1.366 -1.24 -1.76 -1.196 -1.12 -2.22 -0.868 -0.817938564026647 -1.57537190709435 -3.2066 -0.9894 1432678 TimTec1_000910 Nc1cccc(c1)c2nc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J09 compound treatment -0.629 -0.5 -0.71 -0.158 -0.0866 -0.17 0.049 0.099061435973353 0.190795018320914 -0.3986 -0.5279 1679574 TimTec1_000911 Brc1ccc(cc1)C(=O)N2CCC(Cc3ccccc3)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J10 compound treatment -0.879 -0.75 -1.07 -0.656 -0.585 -1.15 -0.66 -0.609938564026647 -1.17475825334694 -1.96 -0.9991 1513995 TimTec1_000912 CCCc1ccc(O)c(N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J11 compound treatment 0.071 0.2 0.28 0.516 0.587 1.16 0.438 0.488061435973353 0.940019591915829 1.3769 0.9059 1491173 TimTec1_000913 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J12 compound treatment 0.184 0.313 0.45 -1.383 -1.31 -2.59 -1.855 -1.80493856402665 -3.47636073521307 -3.245 -0.7446 3082639 TimTec1_000914 OC1(CCCCC1)/C=C/CN2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J13 compound treatment 0.733 0.862 1.23 0.0 0.0714 0.14 0.092 0.142061435973353 0.273614187124465 0.9473 0.7493 3179906 TimTec1_000915 CC[C@]1(CCCN2CC[C@]3([C@H]4CC1)c5cccc(OC)c5N4C(=O)C)[C@@H]23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J14 compound treatment -3.47 -3.34 -4.75 -3.258 -3.19 -6.29 -3.141 -3.09093856402665 -5.95323169059369 -9.8119 -0.9932 3082641 TimTec1_000916 CC1=[N+](CCC#N)c2ccccc2C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J15 compound treatment -1.076 -0.947 -1.35 -0.295 -0.224 -0.44 -0.227 -0.176938564026647 -0.340788483766996 -1.2286 -0.8434 1205123 TimTec1_000917 Cc1cccc(SCC(=O)Nc2ccc3OCCOc3c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J16 compound treatment -0.181 -0.0516 -0.07 -0.222 -0.151 -0.3 -0.174 -0.123938564026647 -0.238709043148665 -0.3518 -0.9061 3082643 TimTec1_000918 SC(=S)N1CCCCC1c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J17 compound treatment -1.169 -1.04 -1.48 -0.732 -0.661 -1.3 -0.203 -0.152938564026647 -0.294563831411525 -1.7765 -0.8913 3209348 TimTec1_000919 CCOc1ccc(cc1)C(=O)CC(N)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J18 compound treatment -0.053 0.0764 0.11 -0.105 -0.0336 -0.07 -0.172 -0.121938564026647 -0.234856988785709 -0.1111 -0.416 1146682 TimTec1_000920 O=C1N(CCN2CC3CC(C2)c4cccc(=O)n4C3)C(=O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J19 compound treatment -1.845 -1.72 -2.44 -1.043 -0.972 -1.92 -0.907 -0.856938564026647 -1.65048696717199 -3.4687 -0.9869 1708504 TimTec1_000921 NCCOc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J20 compound treatment 0.13 0.259 0.37 0.155 0.226 0.45 0.272 0.322061435973353 0.620299079790492 0.8292 0.9768 1179648 TimTec1_000922 CN(C)c1ccc(cc1)C2NC(=S)NC(=C2C(=O)OCCc3ccccc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J21 compound treatment -1.319 -1.19 -1.69 -1.105 -1.03 -2.04 -1.225 -1.17493856402665 -2.26296361088197 -3.4613 -0.9931 3082646 TimTec1_000923 NC(=N)SCc1csc(N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J22 compound treatment -0.337 -0.208 -0.3 -0.067 0.00444 0.01 -0.738 -0.687938564026647 -1.32498837350222 -0.9303 -0.6853 3082648 TimTec1_000924 C(Sc1cccc2cccnc12)c3nnc(o3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J23 mock treatment 0.106 0.235 0.33 -0.067 0.00444 0.01 0.028 0.078061435973353 0.150348447509877 0.2851 0.7768 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 J24 mock treatment 0.174 0.303 0.43 0.048 0.119 0.24 0.0 0.050061435973353 0.096419686428495 0.4409 0.88 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K01 compound treatment -0.311 -0.182 -0.26 -0.25 -0.179 -0.35 -0.047 0.003061435973353 0.00589640889903222 -0.3492 -0.7991 1262368 TimTec1_000925 CC(C)(C)NC(=O)CC(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K02 compound treatment -0.241 -0.112 -0.16 0.162 0.233 0.46 0.203 0.253061435973353 0.487403204268515 0.4559 0.6614 1207448 TimTec1_000926 CCc1nc2n(ncc2c(=O)n1CCc3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K03 compound treatment 0.643 0.772 1.1 0.238 0.309 0.61 0.485 0.535061435973353 1.03054286944529 1.5818 0.9733 1458877 TimTec1_000927 COc1ccc(cc1S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K04 compound treatment -0.683 -0.554 -0.79 -0.224 -0.153 -0.3 -0.381 -0.330938564026647 -0.637396669714597 -0.9963 -0.9429 3082651 TimTec1_000928 COc1ccc(cc1N)S(=O)(=O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K05 compound treatment -0.817 -0.688 -0.98 -0.694 -0.623 -1.23 -0.157 -0.106938564026647 -0.20596658106354 -1.393 -0.8794 3209349 TimTec1_000929 O=C1CCCC(Cn2cncn2)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K06 compound treatment -0.379 -0.25 -0.35 -0.236 -0.165 -0.32 -0.071 -0.020938564026647 -0.0403282434564381 -0.4158 -0.8611 1111413 TimTec1_000930 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K07 compound treatment -0.905 -0.776 -1.1 -0.076 -0.00456 -0.01 -0.087 -0.036938564026647 -0.071144678360085 -0.6829 -0.618 3082653 TimTec1_000931 CCC1=CC(NC(=S)N1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K08 compound treatment -0.449 -0.32 -0.45 0.134 0.205 0.41 -0.307 -0.256938564026647 -0.49487065828523 -0.3139 -0.3999 3209350 TimTec1_000932 Oc1ccccc1/C=N/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K09 compound treatment -1.623 -1.49 -2.12 -2.078 -2.01 -3.96 -1.506 -1.45593856402665 -2.80417724887727 -5.1325 -0.9687 3082655 TimTec1_000933 CCc1ccc(OCCNC(=O)c2ccco2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K10 compound treatment -0.472 -0.343 -0.49 -0.395 -0.324 -0.64 -0.76 -0.709938564026647 -1.36736097149473 -1.4395 -0.9077 1604140 TimTec1_000934 Clc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K11 compound treatment -0.242 -0.113 -0.16 -0.361 -0.29 -0.57 -0.658 -0.607938564026647 -1.17090619898398 -1.0985 -0.8368 1651876 TimTec1_000935 CNC(=O)CSc1c([nH]c2ccccc12)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K12 compound treatment 0.138 0.267 0.38 -1.653 -1.58 -3.12 -2.797 -2.74693856402665 -5.29067834016528 -4.638 -0.7535 3082657 TimTec1_000936 Cc1onc(c1C(=O)NC2=NCCS2)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K13 compound treatment -0.692 -0.563 -0.8 -0.541 -0.47 -0.93 -0.322 -0.271938564026647 -0.523761066007399 -1.2995 -0.9757 3209351 TimTec1_000937 Clc1ccc(/C=N\n2cnnc2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K14 compound treatment -0.544 -0.415 -0.59 -0.403 -0.332 -0.65 -0.333 -0.282938564026647 -0.544947365003656 -1.0329 -0.9972 1479829 TimTec1_000938 Brc1ccc(cc1)S(=O)(=O)NCC2CCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K15 compound treatment -0.04 0.0894 0.13 -0.75 -0.679 -1.34 -0.365 -0.314938564026647 -0.60658023481095 -1.0504 -0.7115 3209352 TimTec1_000939 COc1ccc(/C=N/c2ccc(Br)cc2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K16 compound treatment -0.833 -0.704 -1.0 -0.391 -0.32 -0.63 -0.444 -0.393938564026647 -0.758736382147707 -1.3799 -0.982 1308008 TimTec1_000940 CCN(c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K17 compound treatment -0.829 -0.7 -0.99 -0.585 -0.514 -1.01 -0.154 -0.103938564026647 -0.200188499519106 -1.2753 -0.889 1918619 TimTec1_000941 CCOC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K18 compound treatment -0.884 -0.755 -1.07 -0.352 -0.281 -0.55 -0.103 -0.052938564026647 -0.101961113263732 -0.9981 -0.8237 1453153 TimTec1_000942 COC(=O)c1cc(NC(=O)c2ccco2)cc(c1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K19 compound treatment -0.731 -0.602 -0.86 -0.795 -0.724 -1.43 -0.333 -0.282938564026647 -0.544947365003656 -1.6333 -0.9322 3209353 TimTec1_000943 Nc1nc2c3cc4CCCc4nc3sc2c(c1C#N)c5ccc(Br)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K20 compound treatment -0.329 -0.2 -0.28 -0.353 -0.282 -0.56 0.088 0.138061435973353 0.265910078398553 -0.3313 -0.4883 1246610 TimTec1_000944 Cc1cccc(N2C(=O)c3ccc(cc3C2=O)C(=O)Nc4c[nH]c(=O)[nH]c4=O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K21 compound treatment -0.205 -0.0756 -0.11 0.523 0.594 1.17 0.735 0.785061435973353 1.51204966481477 1.4886 0.7765 1512817 TimTec1_000945 Cc1ccc(cc1)n2c(C)nc3sc4CCCc4c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K22 compound treatment 0.048 0.177 0.25 -0.373 -0.302 -0.6 -0.526 -0.475938564026647 -0.916670611028897 -0.7274 -0.6484 3209354 TimTec1_000946 NC(=O)C(C(C(C#N)C#N)c1ccccc1Cl)[n+]2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K23 mock treatment 0.029 0.158 0.23 -0.014 0.0574 0.11 0.101 0.151061435973353 0.290948431757766 0.3635 0.9441 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 K24 mock treatment -2.235 -2.11 -2.99 -0.675 -0.604 -1.19 -0.652 -0.601938564026647 -1.15935003589512 -3.0858 -0.9011 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L01 compound treatment -0.84 -0.711 -1.01 -0.282 -0.211 -0.42 0.0 0.050061435973353 0.096419686428495 -0.7677 -0.6999 1381598 TimTec1_000947 NC(=O)c1c(c(C#N)c(N)[nH]c1=S)c2cccc(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L02 compound treatment -1.174 -1.04 -1.49 -2.28 -2.21 -4.36 -1.397 -1.34693856402665 -2.59424028609618 -4.873 -0.9217 1609999 TimTec1_000948 COC(=O)C1CCCN1S(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L03 compound treatment -0.543 -0.414 -0.59 -0.333 -0.262 -0.52 -0.073 -0.022938564026647 -0.044180297819394 -0.6632 -0.846 1730347 TimTec1_000949 Cc1cccc(c1)C(=O)Nc2ccc3[nH]c(O)nc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L04 compound treatment 0.127 0.256 0.36 0.119 0.19 0.38 -0.541 -0.490938564026647 -0.945561018751066 -0.1183 -0.1095 1111506 TimTec1_000950 OC(=O)CCc1ccc(F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L05 compound treatment -0.273 -0.144 -0.2 0.169 0.24 0.47 0.047 0.097061435973353 0.186942963957958 0.2642 0.4807 3209355 TimTec1_000951 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCCc4ccccc34)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L06 compound treatment -0.081 0.0484 0.07 1.198 1.27 2.29 -0.057 -0.00693856402664701 -0.0133638629157471 1.354 0.5911 1321261 TimTec1_000952 CC(CO)(CO)NS(=O)(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L07 compound treatment 2.059 2.19 2.07 1.318 1.39 2.38 1.218 1.26806143597335 2.21181663542481 3.8497 0.9984 3209356 TimTec1_000953 CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccco3)/sc2=C(C1c4ccco4)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L08 compound treatment -2.469 -2.34 -3.33 -2.068 -2.0 -3.94 -1.731 -1.68093856402665 -3.2375333647098 -6.0657 -0.996 1024363 TimTec1_000954 Nc1ccc(cc1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L09 compound treatment -0.086 0.0434 0.06 0.085 0.156 0.31 0.481 0.531061435973353 1.02283876071938 0.8045 0.7517 1663099 TimTec1_000955 CCN(C(=O)c1cccc(c1)C(=O)N(CC)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L10 compound treatment 0.06 0.189 0.27 -0.135 -0.0636 -0.13 -0.324 -0.273938564026647 -0.527613120370355 -0.2216 -0.366 1061459 TimTec1_000956 CN(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L11 compound treatment 0.584 0.713 1.01 1.21 1.28 2.3 1.825 1.87506143597335 2.59664066828066 3.4123 0.9443 1730887 TimTec1_000957 CCOC(=O)c1csc(N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L12 compound treatment 0.017 0.146 0.21 0.044 0.115 0.23 -0.339 -0.288938564026647 -0.556503528092524 -0.0695 -0.1092 1709522 TimTec1_000958 O=C(OC1(CCCCC1)C#CCN2CCCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L13 compound treatment 0.646 0.775 1.1 0.447 0.518 1.02 0.143 0.193061435973353 0.371841573379839 1.4422 0.9306 1685514 TimTec1_000959 CCC1(CCCN2CCC3(C4CC1)c5ccc(OC)c(O)c5N4C(=O)C)C23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L14 compound treatment -0.636 -0.507 -0.72 -0.706 -0.635 -1.25 -0.306 -0.255938564026647 -0.492944631103752 -1.4238 -0.9325 1920479 TimTec1_000960 Oc1ccc(/C=N/c2nccs2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L15 compound treatment -0.422 -0.293 -0.42 -0.147 -0.0756 -0.15 -0.094 -0.043938564026647 -0.0846268686304306 -0.3752 -0.8338 3082723 TimTec1_000961 CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc3ccccc3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L16 compound treatment -0.56 -0.431 -0.61 -0.04 0.0314 0.06 0.017 0.067061435973353 0.12916214851362 -0.243 -0.3866 3209357 TimTec1_000962 Oc1ccc(/C=N/CC2CCCN3CCCCC23)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L17 compound treatment -0.849 -0.72 -1.02 -0.388 -0.317 -0.63 -0.5 -0.449938564026647 -0.866593904310471 -1.4519 -0.9815 3082725 TimTec1_000963 OC(=O)C(CC(=O)c1ccc(Cl)cc1)NC2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L18 compound treatment -0.113 0.0164 0.02 -0.626 -0.555 -1.09 -0.078 -0.027938564026647 -0.0538104337267837 -0.6498 -0.5926 1466736 TimTec1_000964 O=C1N(CCN2CCCCC2)C(=O)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L19 compound treatment -0.377 -0.248 -0.35 -0.358 -0.287 -0.57 -0.277 -0.226938564026647 -0.437089842840892 -0.7823 -0.9816 3082726 TimTec1_000965 CC(=O)NCCOc1ccccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L20 compound treatment -0.899 -0.77 -1.09 -0.247 -0.176 -0.35 -0.304 -0.253938564026647 -0.489092576740796 -1.1142 -0.8931 3209478 TimTec1_000966 COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OC)c(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L21 compound treatment -0.281 -0.152 -0.22 0.091 0.162 0.32 0.123 0.173061435973353 0.333321029750281 0.2532 0.4961 3082728 TimTec1_000967 COc1cccc(c1)c2csc3[nH]cnc(=O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L22 compound treatment -1.615 -1.49 -2.11 -1.784 -1.71 -3.38 -1.544 -1.49393856402665 -2.87736628177343 -4.833 -0.983 1136019 TimTec1_000968 CN(C)c1ccc(cc1)C2NCC(CSc3nc4ccccc4s3)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L23 mock treatment -0.03 0.0994 0.14 0.196 0.267 0.53 -0.025 0.025061435973353 0.0482690068915467 0.4143 0.755 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 L24 mock treatment 0.177 0.306 0.44 0.086 0.157 0.31 0.0 0.050061435973353 0.096419686428495 0.4867 0.8949 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M01 compound treatment -0.359 -0.23 -0.33 0.455 0.526 1.04 0.451 0.501061435973353 0.965057945275042 0.9688 0.6657 1453808 TimTec1_000969 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M02 compound treatment -0.241 -0.112 -0.16 0.145 0.216 0.43 0.16 0.210061435973353 0.404584035464964 0.3887 0.6378 1706729 TimTec1_000970 Cc1csc(NC(=O)CSc2nc(ccc2C#N)C3(CC4CC5CC(C4)C3)C5)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M03 compound treatment -1.051 -0.922 -1.31 -0.634 -0.563 -1.11 -0.505 -0.454938564026647 -0.87622404021786 -1.9037 -0.9872 1282202 TimTec1_000971 CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M04 compound treatment -1.289 -1.16 -1.65 -0.363 -0.292 -0.58 -1.039 -0.988938564026647 -1.90472255512708 -2.3839 -0.9225 3082794 TimTec1_000972 Nc1ccc(Cc2ccc(N)c(C#N)c2)cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M05 compound treatment -0.362 -0.233 -0.33 -0.25 -0.179 -0.35 -0.286 -0.235938564026647 -0.454424087474193 -0.6568 -0.99 3209479 TimTec1_000973 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCC=C)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M06 compound treatment -1.05 -0.921 -1.31 -0.34 -0.269 -0.53 0.315 0.365061435973353 0.703118248594043 -0.6559 -0.4158 1356106 TimTec1_000974 CN(C)c1cc(O)c(C(=S)Nc2ccccc2)c(c1)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M07 compound treatment -0.131 -0.00159 0.0 0.0 0.0714 0.14 -0.241 -0.190938564026647 -0.367752864307687 -0.1322 -0.3356 1632278 TimTec1_000975 CC(Sc1ncnc2[nH]cnc12)c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M08 compound treatment -0.237 -0.108 -0.15 -0.373 -0.302 -0.6 -0.232 -0.181938564026647 -0.350418619674385 -0.6344 -0.8965 3082797 TimTec1_000976 COc1ccc(/C=N/c2ccccc2C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M09 compound treatment 0.092 0.221 0.31 -0.018 0.0534 0.11 -0.256 -0.205938564026647 -0.396643272029856 0.0137 0.0264 3209480 TimTec1_000977 Cc1ccccc1OCCNC(=O)c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M10 compound treatment -0.55 -0.421 -0.6 -0.636 -0.565 -1.11 -1.125 -1.07493856402665 -2.07036089273418 -2.1842 -0.9002 1332157 TimTec1_000978 COc1ccc(NC(=O)c2cccc(C)c2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M11 compound treatment -0.127 0.00241 0.0 -3.984 -3.91 -7.73 -1.815 -1.76493856402665 -3.39931964795395 -6.4209 -0.7607 3209481 TimTec1_000979 NNC(=O)CCCSc1nc2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M12 compound treatment 0.189 0.318 0.45 -0.328 -0.257 -0.51 -0.901 -0.850938564026647 -1.63893080408312 -0.9773 -0.5509 3082799 TimTec1_000980 Cc1ccccc1C(=O)NC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M13 compound treatment -0.027 0.102 0.15 0.259 0.33 0.65 0.433 0.483061435973353 0.930389456008439 0.9979 0.871 1494508 TimTec1_000981 Cc1ccc(NC(=O)n2ccnc2)cc1NC(=O)n3ccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M14 compound treatment -0.426 -0.297 -0.42 0.25 0.321 0.63 -0.231 -0.180938564026647 -0.348492592492907 -0.0782 -0.0934 1306757 TimTec1_000982 CN(C1CCCCC1)S(=O)(=O)c2cc(Cl)ccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M15 compound treatment -0.308 -0.179 -0.25 -0.012 0.0594 0.12 0.176 0.226061435973353 0.435400470368611 0.1725 0.3334 3082802 TimTec1_000983 COc1ccc(/C=N/c2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M16 compound treatment 0.233 0.362 0.52 0.257 0.328 0.65 0.296 0.346061435973353 0.666523732145963 1.0567 0.9939 1154044 TimTec1_000984 COc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M17 compound treatment -0.338 -0.209 -0.3 0.328 0.399 0.79 -0.527 -0.476938564026647 -0.918596638210375 -0.2462 -0.1975 3082804 TimTec1_000985 Fc1ccc(/C=N/c2ccc3ccccc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M18 compound treatment -1.407 -1.28 -1.82 -0.23 -0.159 -0.31 -0.092 -0.041938564026647 -0.0807748142674747 -1.2761 -0.6917 1441763 TimTec1_000986 CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M19 compound treatment 3.048 3.18 2.31 3.048 3.12 3.15 3.571 3.62106143597335 3.17463783009691 4.9819 0.9904 1358509 TimTec1_000987 CN1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3cc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M20 compound treatment -0.312 -0.183 -0.26 -0.118 -0.0466 -0.09 0.269 0.319061435973353 0.614520998246059 0.1518 0.2255 1432076 TimTec1_000988 Clc1ccc(NC(=O)CCN2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M21 compound treatment -0.097 0.0324 0.05 -0.053 0.0184 0.04 0.027 0.077061435973353 0.148422420328399 0.1333 0.8352 1556893 TimTec1_000989 CCOC(=O)c1cnn(c1NC(=O)C(C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M22 compound treatment -0.974 -0.845 -1.2 -0.635 -0.564 -1.11 -0.91 -0.859938564026647 -1.65626504871642 -2.292 -0.9842 3209482 TimTec1_000990 C[C@]1(O)NC(=C(C#N)C(C1[n+]2ccccc2)c3ccc(Cl)cc3)S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M23 mock treatment -3.444 -3.31 -4.71 -1.578 -1.51 -2.97 -0.85 -0.799938564026647 -1.54070341782775 -5.3278 -0.9214 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 M24 mock treatment -0.704 -0.575 -0.82 -0.089 -0.0176 -0.03 0.042 0.092061435973353 0.177312828050568 -0.3893 -0.4653 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N01 compound treatment -0.763 -0.634 -0.9 -0.386 -0.315 -0.62 -0.136 -0.085938564026647 -0.165520010252504 -0.9743 -0.8804 1633893 TimTec1_000991 Oc1cccc(c1)C2=NC(=O)c3ccccc3Nc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N02 compound treatment -1.562 -1.43 -2.04 -0.908 -0.837 -1.65 -0.506 -0.455938564026647 -0.878150067399338 -2.6366 -0.9534 1083978 TimTec1_000992 CCOC(=O)Nc1ccc(Cl)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N03 compound treatment -0.222 -0.0926 -0.13 -0.403 -0.332 -0.65 -0.424 -0.373938564026647 -0.720215838518148 -0.8698 -0.8856 1379055 TimTec1_000993 CC(=O)OC1C2CCC1C(CC2)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N04 compound treatment -0.864 -0.735 -1.04 -0.861 -0.79 -1.56 -0.961 -0.910938564026647 -1.7544924349718 -2.516 -0.9794 1041245 TimTec1_000994 NNC(=O)CCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N05 compound treatment -0.119 0.0104 0.01 0.07 0.141 0.28 0.156 0.206061435973353 0.396879926739052 0.3989 0.8216 1709635 TimTec1_000995 O=C(Nc1ccccc1)OC2C3CCCC2C(CC3)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N06 compound treatment -0.429 -0.3 -0.43 -0.167 -0.0956 -0.19 -1.072 -1.02193856402665 -1.96828145211585 -1.4913 -0.7373 1189065 TimTec1_000996 Cc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N07 compound treatment -0.207 -0.0776 -0.11 0.067 0.138 0.27 -0.317 -0.266938564026647 -0.514130930100009 -0.2027 -0.342 1163480 TimTec1_000997 CC(=O)NC1C(=O)N(Cc2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N08 compound treatment -0.274 -0.145 -0.21 -0.849 -0.778 -1.54 -0.437 -0.386938564026647 -0.745254191877361 -1.4354 -0.835 1111758 TimTec1_000998 Nc1ccc(cc1)c2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N09 compound treatment -0.3 -0.171 -0.24 -0.196 -0.125 -0.25 -0.24 -0.189938564026647 -0.365826837126209 -0.4932 -0.9803 1140426 TimTec1_000999 CN(Cc1ccccc1)C(=O)c2cccc(c2)C(=O)N(C)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N10 compound treatment -0.4 -0.271 -0.38 -1.647 -1.58 -3.11 -0.99 -0.939938564026647 -1.81034722323466 -3.0634 -0.8463 1327404 TimTec1_001000 COc1ccc(cc1)C(=O)NC(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N11 compound treatment 0.35 0.479 0.68 -0.282 -0.211 -0.42 -0.333 -0.282938564026647 -0.544947365003656 -0.1611 -0.1667 3209483 TimTec1_001001 COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)C)NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N12 compound treatment -0.217 -0.0876 -0.12 -0.516 -0.445 -0.88 -0.623 -0.572938564026647 -1.10349524763226 -1.2158 -0.8589 1566798 TimTec1_001002 CCC(CC)(CN(C)C)OC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N13 compound treatment -0.017 0.112 0.16 -0.133 -0.0616 -0.12 -0.015 0.035061435973353 0.067529278706326 0.0611 0.2883 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N14 compound treatment -0.354 -0.225 -0.32 -0.415 -0.344 -0.68 -0.231 -0.180938564026647 -0.348492592492907 -0.7772 -0.94 3082877 TimTec1_001004 Clc1ccc(/C=N/c2ccccn2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N15 compound treatment -0.033 0.0964 0.14 -1.444 -1.37 -2.71 -1.045 -0.994938564026647 -1.91627871821594 -2.5919 -0.7802 3082878 TimTec1_001005 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)N3CCN(CC3)c4cccc(Cl)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N16 compound treatment -0.615 -0.486 -0.69 -0.126 -0.0546 -0.11 -0.212 -0.161938564026647 -0.311898076044827 -0.6409 -0.8375 1649522 TimTec1_001006 O=C1NC(=O)C(CC2CCCN3CCCCC23)C(=O)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N17 compound treatment -1.158 -1.03 -1.46 -0.534 -0.463 -0.91 -0.198 -0.147938564026647 -0.284933695504136 -1.5362 -0.879 3209485 TimTec1_001007 CN(C)/C=N/c1n[nH]c(Nc2ccc(C)c(C)c2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N18 compound treatment 0.423 0.552 0.79 0.179 0.25 0.49 0.198 0.248061435973353 0.477773068361126 1.0148 0.9721 1153859 TimTec1_001008 C[N+]12CCCCC2C(CN3C(=O)c4ccccc4C3=O)CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N19 compound treatment -0.759 -0.63 -0.9 -0.229 -0.158 -0.31 -0.111 -0.060938564026647 -0.117369330715555 -0.7642 -0.8003 3082882 TimTec1_001009 CC(=O)NCCOc1ccc(cc1)C2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N20 compound treatment 0.185 0.314 0.45 0.167 0.238 0.47 0.158 0.208061435973353 0.400731981102008 0.7613 0.9978 1577050 TimTec1_001010 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N21 compound treatment -0.278 -0.149 -0.21 -0.367 -0.296 -0.58 0.107 0.157061435973353 0.302504594846634 -0.2843 -0.4117 3082884 TimTec1_001011 COC(=O)c1ccccc1N(C)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N22 compound treatment -0.398 -0.269 -0.38 -0.145 -0.0736 -0.15 -0.215 -0.164938564026647 -0.31767615758926 -0.4877 -0.9424 3209486 TimTec1_001012 CN(C)c1ccc(cc1)C2NCC(CSc3nc(cc(c3C#N)C(F)(F)F)c4cccs4)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N23 mock treatment -0.195 -0.0656 -0.09 -0.074 -0.00256 -0.01 0.012 0.062061435973353 0.11953201260623 0.0122 0.0808 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 N24 mock treatment 0.268 0.397 0.57 0.148 0.219 0.43 0.271 0.321061435973353 0.618373052609015 0.9334 0.9897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O01 compound treatment -0.627 -0.498 -0.71 -0.302 -0.231 -0.46 -0.066 -0.015938564026647 -0.0306981075490485 -0.689 -0.8185 1716121 TimTec1_001013 Clc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O02 compound treatment -0.765 -0.636 -0.9 -0.119 -0.0476 -0.09 -0.397 -0.346938564026647 -0.668213104618244 -0.9617 -0.8528 3209487 TimTec1_001014 CCOC(=O)C(C)Sc1nc(ccc1C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O03 compound treatment -0.558 -0.429 -0.61 -0.063 0.00844 0.02 -0.062 -0.011938564026647 -0.0229939988231368 -0.3555 -0.5827 1595818 TimTec1_001015 O=S(=O)(NC1CCCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O04 compound treatment -0.678 -0.549 -0.78 -0.821 -0.75 -1.48 -0.77 -0.719938564026647 -1.38662124330951 -2.1054 -0.9689 1004440 TimTec1_001016 COC(=O)c1ccc(cc1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O05 compound treatment -0.479 -0.35 -0.5 -0.726 -0.655 -1.29 -0.084 -0.033938564026647 -0.0653665968156513 -1.0709 -0.7725 1455776 TimTec1_001017 OC(=O)CCC(=O)Nc1ccc(Cc2ccncc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O06 compound treatment -0.457 -0.328 -0.47 0.161 0.232 0.46 -0.418 -0.367938564026647 -0.70865967542928 -0.4131 -0.4284 3082886 TimTec1_001018 COC1OC(C)C(OCc2ccccc2)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O07 compound treatment -0.37 -0.241 -0.34 0.025 0.0964 0.19 -0.421 -0.370938564026647 -0.714437756973714 -0.5 -0.6138 1682147 TimTec1_001019 CN(C)C(=O)CSc1nnc(N)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O08 compound treatment 0.338 0.467 0.66 -0.391 -0.32 -0.63 -0.316 -0.265938564026647 -0.512204902918531 -0.2763 -0.2632 3082888 TimTec1_001020 OC(=O)c1ccccc1/N=C/c2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O09 compound treatment -0.066 0.0634 0.09 -0.273 -0.202 -0.4 -0.062 -0.011938564026647 -0.0229939988231368 -0.191 -0.4673 1398146 TimTec1_001021 O=C(CC1c2ccccc2Oc3ccccc13)Nc4ccccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O10 compound treatment 0.111 0.24 0.34 -0.712 -0.641 -1.26 -0.397 -0.346938564026647 -0.668213104618244 -0.9187 -0.6246 3082890 TimTec1_001022 CCN(c1cccc(C)c1)c2ccccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O11 compound treatment -0.198 -0.0686 -0.1 -2.234 -2.16 -4.27 -2.949 -2.89893856402665 -5.58343447174993 -5.7452 -0.8173 3209488 TimTec1_001023 NC1=NN(C(=O)C1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O12 compound treatment -0.5 -0.371 -0.53 -1.014 -0.943 -1.86 -1.343 -1.29293856402665 -2.49023481829637 -2.8165 -0.8932 1608079 TimTec1_001024 COc1ccc(cc1)C(=O)N(CC#N)CC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O13 compound treatment -0.315 -0.186 -0.26 0.159 0.23 0.46 -0.063 -0.012938564026647 -0.0249200260046147 0.096 0.1822 1340354 TimTec1_001025 CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O14 compound treatment -0.353 -0.224 -0.32 0.324 0.395 0.78 0.0 0.050061435973353 0.096419686428495 0.3229 0.3806 1049845 TimTec1_001026 O=S(=O)(N1CCN(CC1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O15 compound treatment 0.894 1.02 1.46 1.349 1.42 2.4 0.586 0.636061435973353 1.22507161477456 2.9356 0.9575 3209489 TimTec1_001027 CC(=O)Nc1ccc(/N=C/c2cccc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O16 compound treatment -0.232 -0.103 -0.15 0.161 0.232 0.46 0.069 0.119061435973353 0.229315561950472 0.3132 0.5871 1685172 TimTec1_001028 CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O17 compound treatment -0.027 0.102 0.15 0.397 0.468 0.92 0.0 0.050061435973353 0.096419686428495 0.6737 0.7158 1709515 TimTec1_001029 CC(NC(=O)c1sc2nc(C)cc(C)c2c1N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O18 compound treatment -0.261 -0.132 -0.19 -0.483 -0.412 -0.81 -0.171 -0.120938564026647 -0.232930961604231 -0.7117 -0.822 3209490 TimTec1_001030 NC1=C(C#N)C(c2cccc(F)c2)n3c(=O)/c(=C\c4cccc(F)c4)/sc3=C1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O19 compound treatment 0.111 0.24 0.34 0.016 0.0874 0.17 -0.472 -0.421938564026647 -0.812665143229089 -0.1722 -0.1916 1220431 TimTec1_001031 Cc1ccc(o1)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O20 compound treatment -0.844 -0.715 -1.02 -1.18 -1.11 -2.19 -0.386 -0.335938564026647 -0.647026805621987 -2.2239 -0.8901 3209602 TimTec1_001032 CC1(C)NCCC21C(=O)N(Cc3ccccc3)c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O21 compound treatment -0.231 -0.102 -0.14 0.692 0.763 1.51 0.635 0.685061435973353 1.31944694666698 1.5487 0.7711 1707435 TimTec1_001033 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O22 compound treatment -0.312 -0.183 -0.26 -0.356 -0.285 -0.56 -0.372 -0.321938564026647 -0.620062425081296 -0.8323 -0.95 1398816 TimTec1_001034 NC1=C(C#N)C(c2ccoc2)c3c([nH]nc3O1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O23 mock treatment -0.205 -0.0756 -0.11 0.17 0.241 0.48 -0.067 -0.016938564026647 -0.0326241347305264 0.1944 0.3968 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 O24 mock treatment -1.839 -1.71 -2.43 -0.057 0.0144 0.03 -0.074 -0.023938564026647 -0.0461063250008719 -1.4135 -0.5814 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P01 compound treatment -0.375 -0.246 -0.35 -0.21 -0.139 -0.27 0.104 0.154061435973353 0.2967265133022 -0.1882 -0.3527 1265807 TimTec1_001035 O=c1cc(c2ccccc2)n(cn1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P02 compound treatment -0.136 -0.00659 -0.01 -0.074 -0.00256 -0.01 0.068 0.118061435973353 0.227389534768994 0.123 0.5401 3209603 TimTec1_001036 CN1C2C(N=C1OCC=C)N(C)C(=O)N(C)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P03 compound treatment 0.106 0.235 0.33 0.068 0.139 0.28 0.217 0.267061435973353 0.514367584809206 0.6492 0.9651 1404718 TimTec1_001037 COc1cc(ccc1O)C2OCC3C(C)C=C(C)C2C3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P04 compound treatment -0.431 -0.302 -0.43 -0.079 -0.00756 -0.01 0.237 0.287061435973353 0.552888128438765 0.063 0.0901 3082971 TimTec1_001038 CN1CN(C(=C1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P05 compound treatment 0.091 0.22 0.31 0.433 0.504 1.0 0.5 0.550061435973353 1.05943327716746 1.3676 0.9194 1591413 TimTec1_001039 CC1C=C(C)C2C(C)C1(COC(=O)Nc3ccccc3)COC2c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P06 compound treatment -0.043 0.0864 0.12 1.125 1.2 2.23 2.571 2.62106143597335 2.90487427635907 3.035 0.8284 1353881 TimTec1_001040 C=CCC1(C2CCCC2)C(=O)NC(=O)NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P07 compound treatment 0.423 0.552 0.79 0.484 0.555 1.1 0.256 0.306061435973353 0.589482644886846 1.427 0.9693 3082974 TimTec1_001041 N(=c/1\[nH]n(c[n+]1c2ccccc2)c3ccccc3)\c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P08 compound treatment -1.361 -1.23 -1.75 0.649 0.72 1.42 -0.5 -0.449938564026647 -0.866593904310471 -0.69 -0.2855 1117800 TimTec1_001042 Nc1ccc2oc(nc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P09 compound treatment 0.073 0.202 0.29 -0.039 0.0324 0.06 0.114 0.164061435973353 0.315986785116979 0.3856 0.8922 3209604 TimTec1_001043 CC1C2C(O)C3C(N(C)C)C(=C(C(=O)N)C(=O)C3(O)C(=C2Cc4c(O)cccc14)O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P10 compound treatment -0.25 -0.121 -0.17 -0.926 -0.855 -1.69 -1.09 -1.03993856402665 -2.00294994138245 -2.2296 -0.8495 1446940 TimTec1_001044 CCOc1ccc(cc1)C(=O)NC2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P11 compound treatment -0.603 -0.474 -0.67 -0.835 -0.764 -1.51 -0.841 -0.790938564026647 -1.52336917319445 -2.1387 -0.952 3082976 TimTec1_001045 FC(F)(F)c1cccc(/N=C/c2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P12 compound treatment -0.032 0.0974 0.14 -0.686 -0.615 -1.21 -0.324 -0.273938564026647 -0.527613120370355 -0.9253 -0.6955 3209605 TimTec1_001046 CC[N+](C)(CC)C/C=C\1/COCO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P13 compound treatment -0.348 -0.219 -0.31 0.175 0.246 0.49 0.03 0.080061435973353 0.154200501872833 0.1905 0.3188 1357190 TimTec1_001047 COc1ccc(CC(=O)N(CC#N)CC#N)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P14 compound treatment 0.087 0.216 0.31 0.526 0.597 1.18 0.375 0.425061435973353 0.818679879482719 1.3314 0.9066 3082979 TimTec1_001048 C1OCc2cccc(/C=N/c3nccs3)c2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P15 compound treatment 0.0 0.129 0.18 0.07 0.141 0.28 0.051 0.101061435973353 0.19464707268387 0.3798 0.9816 3209606 TimTec1_001049 Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2c4ccc(cc4)C(F)(F)F)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P16 compound treatment -0.26 -0.131 -0.19 -0.219 -0.148 -0.29 -0.206 -0.155938564026647 -0.300341912955959 -0.4488 -0.9804 2110705 TimTec1_001050 CN(C)c1ccc(/C=N/CC2CCCN3CCCCC23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P17 compound treatment -1.105 -0.976 -1.39 -1.235 -1.16 -2.3 -0.651 -0.600938564026647 -1.15742400871364 -2.7955 -0.9565 3082982 TimTec1_001051 OC(=O)C(CC(=O)c1ccc(Br)cc1)NCCc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P18 compound treatment 3.013 3.14 2.3 -0.167 -0.0956 -0.19 -0.32 -0.269938564026647 -0.519909011644443 0.9195 0.3885 3209607 TimTec1_001052 OC(=O)c1cc(/C=N/c2ccc(cc2)S(=O)(=O)NC3NC=CS3)c4OCOCc4c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P19 compound treatment -0.358 -0.229 -0.33 -0.529 -0.458 -0.9 0.0 0.050061435973353 0.096419686428495 -0.6536 -0.6773 1482831 TimTec1_001053 CN(c1cccc2cccnc12)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P20 compound treatment -1.073 -0.944 -1.34 -0.766 -0.695 -1.37 -0.784 -0.733938564026647 -1.4135856238502 -2.3825 -0.9998 1207395 TimTec1_001054 CC(C)COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P21 compound treatment -0.019 0.11 0.16 0.413 0.484 0.96 0.373 0.423061435973353 0.814827825119764 1.1133 0.8792 3082984 TimTec1_001055 Cn1c(S)nc2sc3CC(CCc3c2c1=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P22 compound treatment -0.021 0.108 0.15 -0.723 -0.652 -1.29 0.0 0.050061435973353 0.096419686428495 -0.5981 -0.4603 3209608 TimTec1_001056 CCN(CC)C(=S)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P23 mock treatment 0.129 0.258 0.37 -0.114 -0.0426 -0.08 0.103 0.153061435973353 0.294800486120722 0.3338 0.6976 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2065 P24 mock treatment 0.967 1.1 1.56 0.296 0.367 0.73 0.061 0.111061435973353 0.213907344498649 1.4424 0.8325 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A01 compound treatment -0.48 -0.351 -0.5 0.02 0.0914 0.18 0.123 0.173061435973353 0.333321029750281 0.0089 0.0142 3209609 TimTec1_001057 FC(F)(F)c1cc(NC(=O)C(=S)N2CCCCC2)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A02 compound treatment 0.589 0.718 1.02 -0.287 -0.216 -0.43 0.011 0.061061435973353 0.117605985424752 0.4119 0.3701 3082986 TimTec1_001058 CCN1C(=C(C#N)C2(CCNCC2)c3nc(C)oc13)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A03 compound treatment -0.757 -0.628 -0.89 -0.246 -0.175 -0.34 0.264 0.314061435973353 0.604890862338669 -0.3649 -0.3224 3082988 TimTec1_001059 Oc1cccc(/C=C\2/NC(=S)SC2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A04 compound treatment 0.107 0.236 0.34 0.544 0.615 1.22 0.079 0.129061435973353 0.248575833765252 1.0392 0.8086 3209610 TimTec1_001060 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3cnn(c3C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A05 compound treatment -0.687 -0.558 -0.79 -0.797 -0.726 -1.43 -0.471 -0.420938564026647 -0.810739116047611 -1.7529 -0.9594 1135930 TimTec1_001061 O=C(NCCN1CCCCC1)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A06 compound treatment 0.141 0.27 0.38 0.238 0.309 0.61 0.86 0.910061435973353 1.75280306249952 1.5867 0.837 1680573 TimTec1_001062 COc1cc(OC)cc(c1)C(C(C#N)C#N)c2nc(C)[nH]c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A07 compound treatment -0.246 -0.117 -0.17 0.14 0.211 0.42 0.045 0.095061435973353 0.183090909595002 0.251 0.5175 3209611 TimTec1_001063 CCOC(=O)C(N)Cc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A08 compound treatment -0.021 0.108 0.15 0.157 0.228 0.45 0.15 0.200061435973353 0.385323763650185 0.5719 0.933 1656439 TimTec1_001064 CCN(CC)C(=S)CSc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A09 compound treatment -0.169 -0.0396 -0.06 -0.036 0.0354 0.07 -0.133 -0.082938564026647 -0.15974192870807 -0.0843 -0.4602 1709298 TimTec1_001065 COc1ccc2CCC(CC3(O)C(=O)N(C)c4ccccc43)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A10 compound treatment -0.368 -0.239 -0.34 0.141 0.212 0.42 -0.43 -0.379938564026647 -0.731772001607016 -0.3762 -0.4138 1586331 TimTec1_001066 CC1=CC(c2ccoc2)c3c(S1)oc(N)c(C#N)c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A11 compound treatment -1.606 -1.48 -2.1 -0.933 -0.862 -1.7 -0.918 -0.867938564026647 -1.67167326616825 -3.1594 -0.9943 3083064 TimTec1_001067 Fc1ccc(CSC(=C(C#N)C#N)Nc2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A12 compound treatment -0.029 0.1 0.14 -0.293 -0.222 -0.44 -0.333 -0.282938564026647 -0.544947365003656 -0.4848 -0.6797 3209612 TimTec1_001068 CCCN1CC=C2C(C#N)(C#N)C(=C(C)[C@H](c3ccc(cc3)C(=O)OC)[C@@]2(C)C1)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A13 compound treatment 1.012 1.14 1.61 0.825 0.896 1.77 0.58 0.630061435973353 1.2135154516857 2.6541 0.9885 1679027 TimTec1_001069 CC(C)Oc1ccc(cc1)C2C(=C(N)N(c3oc(C)nc23)c4ccccc4)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A14 compound treatment 0.388 0.517 0.74 -0.111 -0.0396 -0.08 0.185 0.235061435973353 0.452734715001912 0.641 0.7391 3209613 TimTec1_001070 CC(C)(C)C1CC=C2[C@H](C1)[C@H](C(=C(N)C2(C#N)C#N)C#N)c3ccsc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A15 compound treatment -0.356 -0.227 -0.32 0.016 0.0874 0.17 -0.012 0.038061435973353 0.0733073602507598 -0.044 -0.118 3209614 TimTec1_001071 CN1C2CCC1[C@@H]3[C@H](C(=C(N)C(C#N)(C#N)C3=C2)C#N)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A16 compound treatment -0.701 -0.572 -0.81 -0.811 -0.74 -1.46 -0.893 -0.842938564026647 -1.6235225866313 -2.2496 -0.9655 1128630 TimTec1_001072 COc1cc(OC)cc(c1)C2SC(=C(C#N)C(=C2C#N)N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A17 compound treatment 0.103 0.232 0.33 0.017 0.0884 0.17 -0.406 -0.355938564026647 -0.685547349251545 -0.1042 -0.1335 3083068 TimTec1_001073 COC(=O)C1=C(N)OC2=C(CCCC2=O)C1c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A18 compound treatment -0.765 -0.636 -0.9 -0.196 -0.125 -0.25 0.333 0.383061435973353 0.737786737860646 -0.2378 -0.1994 3209615 TimTec1_001074 Clc1cccc(c1)C(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A19 compound treatment 0.058 0.187 0.27 0.417 0.488 0.96 0.029 0.079061435973353 0.152274474691355 0.7986 0.789 1165075 TimTec1_001075 CCOC(=O)C1=C(S)N(C#N)C(=O)C(C#N)C21CCNCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A20 compound treatment 0.0 0.129 0.18 0.143 0.214 0.42 0.39 0.440061435973353 0.847570287204888 0.84 0.8704 3083071 TimTec1_001076 CC(NC(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A21 compound treatment -0.171 -0.0416 -0.06 -0.088 -0.0166 -0.03 -0.11 -0.059938564026647 -0.115443303534077 -0.1197 -0.8946 1594569 TimTec1_001077 CCOC(=O)C1=C(N)OC(=C(C#N)C1c2ccccc2)c3cccc(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A22 compound treatment 0.84 0.969 1.38 0.143 0.214 0.42 1.338 1.38806143597335 2.30220571364325 2.3694 0.8722 1190176 TimTec1_001078 CCOC(=O)C1CCCn2c1nc3sc4CCCCc4c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A23 mock treatment -1.429 -1.3 -1.85 0.085 0.156 0.31 0.234 0.284061435973353 0.547110046894331 -0.5726 -0.2934 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 A24 mock treatment -0.557 -0.428 -0.61 -0.103 -0.0316 -0.06 0.116 0.166061435973353 0.319838839479935 -0.2023 -0.2933 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B01 compound treatment -0.419 -0.29 -0.41 -0.373 -0.302 -0.6 0.0 0.050061435973353 0.096419686428495 -0.5258 -0.72 3209616 TimTec1_001079 O=c1oc(nc2scc(c3ccccc3)c12)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B02 compound treatment 0.049 0.178 0.25 0.302 0.373 0.74 0.11 0.160061435973353 0.308282676391067 0.7502 0.8946 1252791 TimTec1_001080 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccco4)C(=S)Nc5cccc(Cl)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B03 compound treatment -0.593 -0.464 -0.66 -0.141 -0.0696 -0.14 0.029 0.079061435973353 0.152274474691355 -0.3719 -0.5388 3083074 TimTec1_001081 CCC(C)NC(=O)CSc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B04 compound treatment 0.266 0.395 0.56 0.093 0.164 0.32 -0.105 -0.054938564026647 -0.105813167626688 0.4509 0.6856 3083076 TimTec1_001082 O=C(CCCCn1cnc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B05 compound treatment -1.164 -1.03 -1.47 -0.298 -0.227 -0.45 -0.299 -0.248938564026647 -0.479462440833407 -1.3844 -0.8596 1133090 TimTec1_001083 C1CC2=C(Nc3ncnn3C2c4ccccc4)c5ccccc5C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B06 compound treatment 0.453 0.582 0.83 0.602 0.673 1.33 0.722 0.772061435973353 1.48701131145556 2.1043 0.9743 1354657 TimTec1_001084 CC1CN(C)C(C(C)C21NC(=O)NC2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B07 compound treatment -0.105 0.0244 0.03 -0.692 -0.621 -1.23 -0.42 -0.369938564026647 -0.712511729792236 -1.0988 -0.775 3083078 TimTec1_001085 Clc1cnn(Cc2ccccc2)c(=S)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B08 compound treatment -0.903 -0.774 -1.1 -1.132 -1.06 -2.09 -0.425 -0.374938564026647 -0.722141865699626 -2.261 -0.9142 3209617 TimTec1_001086 OC(=O)[C@H]1NC(=O)C1Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B09 compound treatment -0.16 -0.0306 -0.04 0.25 0.321 0.63 0.23 0.280061435973353 0.539405938168419 0.6527 0.7826 1612069 TimTec1_001087 Nc1sc2CCCc2c1C(=O)Nc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B10 compound treatment 0.118 0.247 0.35 -0.254 -0.183 -0.36 0.306 0.356061435973353 0.685784003960742 0.3909 0.4594 3083081 TimTec1_001088 CC/1=NN(C(=O)\C1=C\2/C(=O)Nc3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B11 compound treatment 0.32 0.449 0.64 -1.6 -1.53 -3.02 -2.157 -2.10693856402665 -4.0580209440194 -3.7165 -0.7291 1674088 TimTec1_001089 Nn1c(nc2ccccc2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B12 compound treatment 0.179 0.308 0.44 -0.651 -0.58 -1.14 -0.932 -0.881938564026647 -1.69863764670894 -1.3882 -0.6628 1517968 TimTec1_001090 O=C(N1CCc2ccccc12)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B13 compound treatment -2.157 -2.03 -2.88 -1.984 -1.91 -3.78 -0.907 -0.856938564026647 -1.65048696717199 -4.7976 -0.9539 1537974 TimTec1_001091 Nc1sc2CCCCCc2c1C(=O)Nc3cccc(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B14 compound treatment -0.468 -0.339 -0.48 -0.109 -0.0376 -0.07 -0.079 -0.028938564026647 -0.0557364609082616 -0.3529 -0.7199 3083084 TimTec1_001092 CCCNC(=O)Cn1nc(cc1C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B15 compound treatment 0.623 0.752 1.07 0.203 0.274 0.54 0.279 0.329061435973353 0.633781270060838 1.2964 0.9558 3209740 TimTec1_001093 Cc1cc(Br)c(NC(=O)C2C(C)(C)C2(C)C)c(Br)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B16 compound treatment 1.069 1.2 1.65 -0.122 -0.0506 -0.1 0.438 0.488061435973353 0.940019591915829 1.4373 0.7561 1410434 TimTec1_001094 CC(C)(C)c1nc2ccccc2c(=O)n1c3ccc(F)cc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B17 compound treatment -1.092 -0.963 -1.37 -0.518 -0.447 -0.88 -0.264 -0.213938564026647 -0.412051489481679 -1.5371 -0.9153 3083156 TimTec1_001095 CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B18 compound treatment -0.243 -0.114 -0.16 0.38 0.451 0.89 0.889 0.939061435973353 1.80865785076238 1.4656 0.7245 1578203 TimTec1_001096 Fc1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B19 compound treatment -0.71 -0.581 -0.83 -0.46 -0.389 -0.77 0.086 0.136061435973353 0.262058024035597 -0.7682 -0.664 3083160 TimTec1_001097 CC(=O)Nc1nonc1/N=C\c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B20 compound treatment -0.063 0.0664 0.09 -0.25 -0.179 -0.35 0.118 0.168061435973353 0.323690893842891 0.0378 0.0776 1344731 TimTec1_001098 Fc1ccc(CNC(=O)c2ccccc2C(=O)Cc3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B21 compound treatment 0.022 0.151 0.22 -0.119 -0.0476 -0.09 0.205 0.255061435973353 0.491255258631471 0.3537 0.6496 1376655 TimTec1_001099 COc1cc(SC)ccc1C(=O)NC2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B22 compound treatment 0.0 0.129 0.18 -0.905 -0.834 -1.65 -0.687 -0.636938564026647 -1.22676098724684 -1.5523 -0.7532 3209741 TimTec1_001100 Oc1ccc(cc1)C(=O)N2Cc3ccccc3N=C2S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B23 mock treatment -0.045 0.0844 0.12 0.233 0.304 0.6 0.359 0.409061435973353 0.787863444579072 0.8712 0.8728 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 B24 mock treatment -0.238 -0.109 -0.15 0.141 0.212 0.42 0.167 0.217061435973353 0.41806622573531 0.3944 0.6444 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C01 compound treatment 0.088 0.217 0.31 1.123 1.19 2.23 0.758 0.808061435973353 1.55634828998877 2.3629 0.8641 3209742 TimTec1_001101 Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)c2C#N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C02 compound treatment -0.278 -0.149 -0.21 0.063 0.134 0.27 -0.181 -0.130938564026647 -0.252191233419011 -0.1143 -0.2704 3083163 TimTec1_001102 CCN(CC)c1cc(nc(SCC(=O)c2cccs2)c1C#N)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C03 compound treatment -0.773 -0.644 -0.92 -0.642 -0.571 -1.13 0.1 0.150061435973353 0.289022404576288 -1.0119 -0.6838 3083164 TimTec1_001103 N=c1sc2ccccc2n1C(=O)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C04 compound treatment -0.661 -0.532 -0.76 -0.209 -0.138 -0.27 0.311 0.361061435973353 0.695414139868132 -0.1917 -0.1804 3209743 TimTec1_001104 COc1cccc(c1)[C@@H]2[C@H](N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c5ccc(OC)c(F)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C05 compound treatment -0.786 -0.657 -0.93 -0.262 -0.191 -0.38 -0.344 -0.293938564026647 -0.566133663999913 -1.0831 -0.9379 1213390 TimTec1_001105 O=C(CSC1OC2C=CC=CC2=N1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C06 compound treatment -0.068 0.0614 0.09 -0.097 -0.0256 -0.05 0.095 0.145061435973353 0.279392268668899 0.1826 0.6147 3209744 TimTec1_001106 CC1CC(=O)C2=C(O1)OC(=C(C#N)C2c3ccccc3C(F)(F)F)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C07 compound treatment -0.438 -0.309 -0.44 -0.306 -0.235 -0.46 -0.294 -0.243938564026647 -0.469832304926017 -0.792 -0.9996 1713226 TimTec1_001107 COc1cc2ccc(=O)oc2c(OC3OC(CO)C(O)C(O)C3O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C08 compound treatment 0.182 0.311 0.44 0.075 0.146 0.29 0.527 0.577061435973353 1.11143601106737 1.0642 0.8647 3083167 TimTec1_001108 Cc1ccc(CSc2nc(ccc2C#N)C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C09 compound treatment -0.183 -0.0536 -0.08 -0.435 -0.364 -0.72 0.571 0.621061435973353 1.19618120705239 0.2322 0.1662 3209745 TimTec1_001109 COc1cc(cc(OC)c1OC)c2c(C#N)c(SCC#N)nc(N)c2C(=O)OC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C10 compound treatment 0.046 0.175 0.25 0.577 0.648 1.28 0.974 1.02406143597335 1.972370161188 2.0219 0.8551 3083169 TimTec1_001110 CCc1ccc(cc1)[C@@H]2[C@H]3CN(CC=C3C(C#N)(C#N)C(=C2C#N)N)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C11 compound treatment 0.041 0.17 0.24 -2.104 -2.03 -4.01 -1.921 -1.87093856402665 -3.60347852919061 -4.2577 -0.7886 3209746 TimTec1_001111 Fc1cccc(CSC(=C(C#N)C#N)Nc2ccccc2Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C12 compound treatment 0.29 0.419 0.6 -0.155 -0.0836 -0.16 -0.418 -0.367938564026647 -0.70865967542928 -0.1601 -0.1702 3209747 TimTec1_001112 COC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)C(=O)OC)C(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C13 compound treatment -0.069 0.0604 0.09 0.057 0.128 0.25 0.103 0.153061435973353 0.294800486120722 0.3662 0.9196 1123898 TimTec1_001113 COC(=O)[C@@]1(C#N)C([C@@H](C#N)N2[C@@H]1C=Cc3ccccc23)c4cc(OC)cc(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C14 compound treatment -0.482 -0.353 -0.5 -0.405 -0.334 -0.66 -0.678 -0.627938564026647 -1.20942674261354 -1.3679 -0.9334 1317642 TimTec1_001114 COc1ccc(cc1)c2cc(SCCN3CCOCC3)c(C#N)c(n2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C15 compound treatment -1.136 -1.01 -1.43 -0.831 -0.76 -1.5 -0.734 -0.683938564026647 -1.31728426477631 -2.4527 -0.9986 3083174 TimTec1_001115 CCOC(=O)C1=C(N)SC(=C(C#N)C1c2ccco2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C16 compound treatment -0.81 -0.681 -0.97 -0.313 -0.242 -0.48 -0.355 -0.304938564026647 -0.587319962996171 -1.1731 -0.9551 1197248 TimTec1_001116 Cc1cc2CC(=C(C#N)C(c3cccc(COc4ccccc4Cl)c3)c2c(=O)o1)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C17 compound treatment -1.515 -1.39 -1.97 -0.687 -0.616 -1.22 -0.356 -0.305938564026647 -0.589245990177649 -2.1793 -0.9124 3209748 TimTec1_001117 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)c3ccccc3)N)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C18 compound treatment -0.02 0.109 0.16 -0.133 -0.0616 -0.12 -0.016 0.034061435973353 0.0656032515248481 0.0575 0.2764 3083176 TimTec1_001118 CC1CCN(CC1)C(=O)c2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C19 compound treatment 0.216 0.345 0.49 -0.03 0.0414 0.08 0.37 0.420061435973353 0.80904974357533 0.7979 0.8399 3209749 TimTec1_001119 CC1=C(C#N)C(C2=C(CC(CC2=O)c3ccc(Br)cc3)O1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C20 compound treatment -0.044 0.0854 0.12 -0.299 -0.228 -0.45 -0.284 -0.233938564026647 -0.450572033111238 -0.4494 -0.6938 3083178 TimTec1_001120 CC(=O)NC(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C21 compound treatment -0.162 -0.0326 -0.05 -0.884 -0.813 -1.6 -0.741 -0.690938564026647 -1.33076645504665 -1.7214 -0.8256 3209750 TimTec1_001121 COc1ccc(cc1OC)C(=O)COC2=C(C#N)C3(CCCC3)C(C#N)C(=S)N2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C22 compound treatment -0.1 0.0294 0.04 0.408 0.479 0.95 0.42 0.470061435973353 0.905351102649226 1.0934 0.8343 3083180 TimTec1_001122 C1CCc2c(C1)sc3ncnc(Sc4ccccc4)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C23 mock treatment 0.114 0.243 0.35 0.027 0.0984 0.19 0.081 0.131061435973353 0.252427888128207 0.4578 0.9732 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 C24 mock treatment -0.716 -0.587 -0.83 0.0 0.0714 0.14 -0.104 -0.053938564026647 -0.10388714044521 -0.4601 -0.5398 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D01 compound treatment -0.277 -0.148 -0.21 0.136 0.207 0.41 -0.099 -0.048938564026647 -0.0942570045378202 0.0609 0.1296 1699716 TimTec1_001123 CCc1nc2sc(C)c(C)c2c(=O)n1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D02 compound treatment 0.068 0.197 0.28 0.67 0.741 1.46 0.386 0.436061435973353 0.839866178478977 1.4922 0.8721 3209751 TimTec1_001124 CC1(C)C(C(=O)NN2C(=O)c3ccccc3C2=O)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D03 compound treatment -0.071 0.0584 0.08 -0.164 -0.0926 -0.18 -0.089 -0.038938564026647 -0.0749967327230409 -0.1009 -0.4707 3082090 TimTec1_001125 CC(C)(C)NC(=O)CSc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D04 compound treatment 0.942 1.07 1.52 0.985 1.06 2.09 0.889 0.939061435973353 1.80865785076238 3.128 0.992 1162107 TimTec1_001126 CC(C)N1CCC2(CC1)C(=C(O)NC3=C2C(=O)CC(C)(C)C3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D05 compound treatment 0.608 0.737 1.05 0.197 0.268 0.53 0.484 0.534061435973353 1.02861684226381 1.5052 0.964 3209752 TimTec1_001127 COc1ccc(cc1)N2Cc3ccccc3C4(CCOCC4)C2=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D06 compound treatment -0.057 0.0724 0.1 0.509 0.58 1.15 0.342 0.392061435973353 0.755120982493948 1.1571 0.8407 3209753 TimTec1_001128 COc1ccc(/N=C(\C)/c2c([nH]n(c3nc4ccccc4s3)c2=O)C(F)(F)F)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D07 compound treatment 0.039 0.168 0.24 -0.085 -0.0136 -0.03 0.51 0.560061435973353 1.07869354898224 0.7456 0.6746 1727579 TimTec1_001129 Clc1c(NCC2CCCO2)cnn(Cc3ccccc3)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D08 compound treatment -1.038 -0.909 -1.29 -0.29 -0.219 -0.43 0.028 0.078061435973353 0.150348447509877 -0.9082 -0.6628 3082095 TimTec1_001130 Cc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D09 compound treatment 0.295 0.424 0.6 -0.987 -0.916 -1.81 0.282 0.332061435973353 0.639559351605272 -0.3261 -0.1622 1199669 TimTec1_001131 CCOc1ccc(NC(=O)c2c(N)sc3CCCc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D10 compound treatment 0.082 0.211 0.3 0.177 0.248 0.49 -0.027 0.023061435973353 0.0444169525285909 0.4824 0.836 1714748 TimTec1_001132 NC(=O)CSc1nc2CC3=C(CCC3)c2c(=O)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D11 compound treatment -0.378 -0.249 -0.35 -1.682 -1.61 -3.18 -1.75 -1.69993856402665 -3.27412788115789 -3.9304 -0.8585 1348333 TimTec1_001133 O=c1oc(nc2ccccc12)c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D12 compound treatment 0.125 0.254 0.36 0.041 0.112 0.22 0.348 0.398061435973353 0.766677145582815 0.7797 0.8897 1118692 TimTec1_001134 O=C(N1CCCc2ccccc12)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D13 compound treatment 0.413 0.542 0.77 0.774 0.845 1.67 0.394 0.444061435973353 0.8552743959308 1.9028 0.9383 1352264 TimTec1_001135 CN(C)C(=O)c1c(NC(=O)c2ccc(C)cc2)sc3CCCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D14 compound treatment 0.391 0.52 0.74 1.08 1.15 2.19 0.463 0.513061435973353 0.988170271452777 2.2619 0.8998 3209754 TimTec1_001136 CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D15 compound treatment 0.378 0.507 0.72 -0.154 -0.0826 -0.16 0.286 0.336061435973353 0.647263460331183 0.6961 0.7082 3082099 TimTec1_001137 C=CC[n+]1ccc2ccccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D16 compound treatment 0.135 0.264 0.38 0.075 0.146 0.29 0.338 0.388061435973353 0.747416873768036 0.8155 0.9213 3209755 TimTec1_001138 FC(F)(F)c1cccc(c1)C(=O)Oc2ccc(cc2)C3SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D17 compound treatment -0.305 -0.176 -0.25 -0.192 -0.121 -0.24 -0.03 0.020061435973353 0.0386388709841571 -0.2593 -0.7469 3082101 TimTec1_001139 CCOc1ccc2ccccc2c1/C=N/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D18 compound treatment 0.4 0.529 0.75 -0.38 -0.309 -0.61 0.19 0.240061435973353 0.462364850909302 0.3498 0.3259 1260565 TimTec1_001140 Clc1ccc(NC(=O)CN2CCCc3ccccc23)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D19 compound treatment 0.513 0.642 0.91 0.434 0.505 1.0 0.082 0.132061435973353 0.254353915309685 1.2504 0.9083 1408681 TimTec1_001141 NNC(=O)c1cccc(Cn2cccn2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D20 compound treatment -0.836 -0.707 -1.0 0.063 0.134 0.27 0.1 0.150061435973353 0.289022404576288 -0.2599 -0.241 3209756 TimTec1_001142 CC(C)Cn1c(=O)c2ccccc2[nH]c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D21 compound treatment 0.136 0.265 0.38 -0.268 -0.197 -0.39 0.21 0.260061435973353 0.500885394538861 0.283 0.3837 1521586 TimTec1_001143 Cc1ccccc1OCc2nnc(SCC(=O)N)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D22 compound treatment -0.481 -0.352 -0.5 -0.367 -0.296 -0.58 -0.975 -0.924938564026647 -1.78145681551249 -1.6541 -0.8526 3209757 TimTec1_001144 COc1ccc(/C=N/C2=NNC(=O)C(CC(=O)O)S2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D23 mock treatment 0.065 0.194 0.28 0.0 0.0714 0.14 0.328 0.378061435973353 0.728156601953257 0.6614 0.8356 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 D24 mock treatment -0.053 0.0764 0.11 0.054 0.125 0.25 0.147 0.197061435973353 0.379545682105751 0.4248 0.9116 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E01 compound treatment -1.11 -0.981 -1.39 0.729 0.8 1.58 0.425 0.475061435973353 0.914981238556616 0.6358 0.2767 1632993 TimTec1_001145 NC(=O)c1cnn2c(N)c(C#N)cnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E02 compound treatment 0.169 0.298 0.42 0.068 0.139 0.28 -0.373 -0.322938564026647 -0.621988452262774 0.0448 0.0559 1454243 TimTec1_001146 CC(C)OC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E03 compound treatment 0.062 0.191 0.27 1.071 1.14 2.18 -0.304 -0.253938564026647 -0.489092576740796 1.1342 0.5036 3082105 TimTec1_001147 COc1cc(/C=N\C2=NN(CC2)c3ccccc3)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E04 compound treatment 0.435 0.564 0.8 1.082 1.15 2.19 1.327 1.37706143597335 2.29427391344437 3.0531 0.9329 3209876 TimTec1_001148 C[C@@H]1[C@H](N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N)c4ccc(F)c(Br)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E05 compound treatment -0.324 -0.195 -0.28 -0.373 -0.302 -0.6 -0.885 -0.834938564026647 -1.60811436917947 -1.432 -0.8244 1448274 TimTec1_001149 Cc1ccc2cccc(SC(=O)NCC3CCCO3)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E06 compound treatment -0.676 -0.547 -0.78 -0.48 -0.409 -0.81 0.109 0.159061435973353 0.30635664920959 -0.7376 -0.6351 3082108 TimTec1_001150 NC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E07 compound treatment 0.369 0.498 0.71 0.435 0.506 1.0 0.243 0.293061435973353 0.564444291527632 1.3123 0.9726 1046360 TimTec1_001151 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2ccc(=O)[nH]c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E08 compound treatment 0.082 0.211 0.3 0.38 0.451 0.89 0.548 0.598061435973353 1.1518825818784 1.3532 0.9099 1129068 TimTec1_001152 CN1CCc2c(nc(OCc3ccccc3Br)c(C#N)c2C1)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E09 compound treatment -0.197 -0.0676 -0.1 0.397 0.468 0.92 0.173 0.223061435973353 0.429622388824177 0.7266 0.7093 3082110 TimTec1_001153 CSc1nc(SCC(=O)c2ccc3OCOc3c2)nc(N)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E10 compound treatment -0.626 -0.497 -0.71 -0.374 -0.303 -0.6 -0.226 -0.175938564026647 -0.338862456585518 -0.9482 -0.9626 1730487 TimTec1_001154 Cc1nc(C(=O)N)c(NCC=C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E11 compound treatment 0.08 0.209 0.3 -0.561 -0.49 -0.97 -0.737 -0.686938564026647 -1.32306234632074 -1.1501 -0.6906 1334043 TimTec1_001155 COc1cc2CCN(Cc2cc1OC)C(=O)Cn3c(C)cc(C)c(C#N)c3=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E12 compound treatment -0.013 0.116 0.17 -0.934 -0.863 -1.7 -1.534 -1.48393856402665 -2.85810600995865 -2.5379 -0.7619 1513685 TimTec1_001156 O=C(c1ccccc1)[C@@]2(C[C@@H](C#N)N3[C@@H]2C=Cc4ccccc34)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E13 compound treatment -0.603 -0.474 -0.67 0.525 0.596 1.18 0.408 0.458061435973353 0.882238776471491 0.8005 0.4947 1696559 TimTec1_001157 CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E14 compound treatment 0.608 0.737 1.05 0.071 0.142 0.28 0.581 0.631061435973353 1.21544147886717 1.4694 0.9017 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E15 compound treatment 0.141 0.27 0.38 0.685 0.756 1.49 0.649 0.699061435973353 1.34641132720767 1.8616 0.9093 1628055 TimTec1_001159 OC(=O)c1ccc(cc1)c2cc(c3cccs3)c(C#N)c(SCc4cccs4)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E16 compound treatment 0.394 0.523 0.74 0.713 0.784 1.55 0.688 0.738061435973353 1.42152638728531 2.1446 0.9616 1516512 TimTec1_001160 CC1=C(C(C(=C(S)S1)C#N)c2ccc[nH]2)C(=O)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E17 compound treatment -0.667 -0.538 -0.76 -1.07 -0.999 -1.97 -0.616 -0.565938564026647 -1.09001305736191 -2.209 -0.9285 1382001 TimTec1_001161 COc1cc(OC)cc(c1)C2C(=C(N)Nc3oc(C)nc23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E18 compound treatment -0.11 0.0194 0.03 0.204 0.275 0.54 0.355 0.405061435973353 0.780159335853161 0.7804 0.8202 3082493 TimTec1_001162 CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E19 compound treatment -0.2 -0.0706 -0.1 0.048 0.119 0.24 0.0 0.050061435973353 0.096419686428495 0.1339 0.4889 3082494 TimTec1_001163 FC(F)(F)c1cc(c2cccs2)c(C#N)c(S)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E20 compound treatment 0.324 0.453 0.64 0.12 0.191 0.38 0.183 0.233061435973353 0.448882660638956 0.8496 0.9746 3209878 TimTec1_001164 CC1(C)C(C(=O)Nc2ccccc2C(F)(F)F)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E21 compound treatment 0.275 0.404 0.57 0.0 0.0714 0.14 -0.118 -0.067938564026647 -0.130851520985901 0.3379 0.5572 3209879 TimTec1_001165 CC(C)N1C/C(=C\c2ccccc2)/C(=O)\C(=C/c3ccccc3)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E22 compound treatment -1.236 -1.11 -1.57 -0.958 -0.887 -1.75 -2.318 -2.26793856402665 -4.36811132023735 -4.441 -0.895 1473801 TimTec1_001166 CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E23 mock treatment -1.146 -1.02 -1.45 0.263 0.334 0.66 0.372 0.422061435973353 0.812901797938286 0.0161 0.009 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 E24 mock treatment -1.463 -1.33 -1.9 0.046 0.117 0.23 0.067 0.117061435973353 0.225463507587516 -0.8306 -0.4319 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F01 compound treatment -0.25 -0.121 -0.17 0.325 0.396 0.78 0.401 0.451061435973353 0.868756586201146 0.8545 0.723 1148234 TimTec1_001167 Cc1sc(NC(=O)c2ccccc2)c(C(=O)N3CCCCC3)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F02 compound treatment -2.065 -1.94 -2.75 -1.47 -1.4 -2.76 -0.591 -0.540938564026647 -1.04186237782496 -3.7847 -0.9379 3082495 TimTec1_001168 NCc1c[nH]nc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F03 compound treatment -1.047 -0.918 -1.3 -0.439 -0.368 -0.73 -0.507 -0.456938564026647 -0.880076094580816 -1.6803 -0.9696 3082496 TimTec1_001169 CCCCC(=O)c1ccc(C)[nH]c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F04 compound treatment 0.039 0.168 0.24 0.025 0.0964 0.19 0.359 0.409061435973353 0.787863444579072 0.7031 0.8318 3209880 TimTec1_001170 FC(F)(F)c1cc([nH]c(=S)c1C#N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F05 compound treatment 1.565 1.69 1.9 0.644 0.715 1.41 -0.11 -0.059938564026647 -0.115443303534077 1.8453 0.7787 1552345 TimTec1_001171 OC1CS(=O)(=O)CC1NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F06 compound treatment 0.254 0.383 0.55 -0.073 -0.00156 0.0 -0.247 -0.196938564026647 -0.379309027396554 0.094 0.1415 3209881 TimTec1_001172 Cn1ncc(Br)c1c2nc3ccccc3[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F07 compound treatment -0.492 -0.363 -0.52 -0.327 -0.256 -0.5 -0.437 -0.386938564026647 -0.745254191877361 -1.0192 -0.9827 1231705 TimTec1_001173 Clc1c(NCCc2ccccc2)cnn(c3ccccc3)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F08 compound treatment -0.552 -0.423 -0.6 0.101 0.172 0.34 -0.076 -0.025938564026647 -0.0499583793638278 -0.1792 -0.2587 3082497 TimTec1_001174 COc1ccc(cc1)C2=NNC(=S)C3=CNc4ccccc4N23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F09 compound treatment -0.119 0.0104 0.01 0.031 0.102 0.2 -0.164 -0.113938564026647 -0.219448771333886 -0.0014 -0.0046 1268647 TimTec1_001175 O=C(Nc1ccccc1)c2c(NC(=O)c3ccccc3)sc4CCCCc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F10 compound treatment -0.141 -0.0116 -0.02 -0.286 -0.215 -0.42 -0.407 -0.356938564026647 -0.687473376433023 -0.651 -0.806 1547144 TimTec1_001176 CC(NC(=O)CSc1nc2CC3=C(CCCC3)c2c(=O)n1C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F11 compound treatment 0.394 0.523 0.74 -0.988 -0.917 -1.81 -1.276 -1.22593856402665 -2.36119099713735 -1.9785 -0.6452 1204419 TimTec1_001177 CC1CCc2c(C(=O)Nc3ccc(Cl)cc3)c(N)sc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F12 compound treatment 0.0 0.129 0.18 -0.048 0.0234 0.05 -0.443 -0.392938564026647 -0.756810354966229 -0.304 -0.3896 1256297 TimTec1_001178 C(Cc1ccco1)C2NCCn3cccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F13 compound treatment -0.159 -0.0296 -0.04 1.096 1.17 2.2 0.656 0.706061435973353 1.35989351747802 2.0332 0.785 1201070 TimTec1_001179 CCOC(=O)c1c(NC(=O)C)sc2CCCCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F14 compound treatment -1.222 -1.09 -1.55 -0.273 -0.202 -0.4 -0.06 -0.009938564026647 -0.0191419444601809 -1.1377 -0.7094 1590373 TimTec1_001180 CC(NC(=O)CC(c1ccccc1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F15 compound treatment -0.373 -0.244 -0.35 -0.603 -0.532 -1.05 -0.648 -0.597938564026647 -1.1516459271692 -1.4708 -0.9215 1021946 TimTec1_001181 OC(=O)C1CCCN1C(=O)OCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F16 compound treatment -0.859 -0.73 -1.04 -0.243 -0.172 -0.34 -0.16 -0.109938564026647 -0.211744662607974 -0.9167 -0.8247 3209882 TimTec1_001182 CCOc1ccc(cc1)N2C(=O)CCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F17 compound treatment 0.116 0.245 0.35 0.049 0.12 0.24 0.135 0.185061435973353 0.356433355928016 0.5445 0.9854 3209883 TimTec1_001183 CCn1c2C(=O)CCCc2c3cc(Br)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F18 compound treatment -0.154 -0.0246 -0.03 0.337 0.408 0.81 0.6 0.650061435973353 1.25203599531525 1.1683 0.7842 1674582 TimTec1_001184 OCCN(CC(=O)Nc1ccc(F)cc1)C(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F19 compound treatment -0.379 -0.25 -0.35 -0.293 -0.222 -0.44 -0.346 -0.295938564026647 -0.569985718362869 -0.7865 -0.9815 1384058 TimTec1_001185 Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F20 compound treatment -0.181 -0.0516 -0.07 0.304 0.375 0.74 0.531 0.581061435973353 1.11914011979328 1.0318 0.7675 1143739 TimTec1_001186 CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc3ccccc3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F21 compound treatment 0.143 0.272 0.39 0.267 0.338 0.67 -0.547 -0.496938564026647 -0.957117181839934 0.0568 0.0462 1602491 TimTec1_001187 COC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F22 compound treatment 0.299 0.428 0.61 -0.469 -0.398 -0.78 -0.265 -0.214938564026647 -0.413977516663157 -0.3406 -0.3164 3082498 TimTec1_001188 Brc1ccc(cc1)C(=O)CN2CCCC2=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F23 mock treatment 0.228 0.357 0.51 -0.014 0.0574 0.11 0.241 0.291061435973353 0.560592237164677 0.6825 0.8921 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 F24 mock treatment -0.226 -0.0966 -0.14 -0.015 0.0564 0.11 -0.012 0.038061435973353 0.0733073602507598 0.0274 0.143 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G01 compound treatment -0.679 -0.55 -0.78 -0.044 0.0274 0.05 -0.108 -0.057938564026647 -0.111591249171122 -0.4843 -0.6121 1278450 TimTec1_001189 CCOC(=O)c1cnn2c(N)c(C#N)cnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G02 compound treatment -0.635 -0.506 -0.72 -0.673 -0.602 -1.19 -0.338 -0.287938564026647 -0.554577500911046 -1.421 -0.9505 1287956 TimTec1_001190 NC1=C(C#N)C(c2ccccc2Cl)c3c(S1)oc(cc3=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G03 compound treatment -0.644 -0.515 -0.73 -0.028 0.0434 0.09 0.278 0.328061435973353 0.63185524287936 -0.0081 -0.0083 1053983 TimTec1_001191 COC(=O)C1CNc2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G04 compound treatment -0.794 -0.665 -0.94 -0.061 0.0104 0.02 -0.05 6.1435973352994E-5 1.1832735459842E-4 -0.5336 -0.5646 3082499 TimTec1_001192 COC(=O)C1=C(N)OC(=C(C#N)C1c2ccncc2)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G05 compound treatment 1.102 1.23 1.67 0.905 0.976 1.93 1.031 1.08106143597335 2.05164397556984 3.2614 0.9964 3209884 TimTec1_001193 CC1=CC(C)(C)CC(=S)N1c2cccc(F)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G06 compound treatment -1.075 -0.946 -1.34 -0.559 -0.488 -0.96 -1.134 -1.08393856402665 -2.08769513736748 -2.5373 -0.9527 3082500 TimTec1_001194 NC1=C(C#N)C(=C(C#N)C(S1)c2cccs2)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G07 compound treatment -0.043 0.0864 0.12 -0.174 -0.103 -0.2 -0.068 -0.017938564026647 -0.0345501619120044 -0.0659 -0.2755 3209885 TimTec1_001195 O=C1CNC(=S)N1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G08 compound treatment -0.109 0.0204 0.03 0.22 0.291 0.58 0.029 0.079061435973353 0.152274474691355 0.4369 0.7331 1277858 TimTec1_001196 Cc1c2cc(sc2nc3c(O)cc(=O)[nH]c13)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G09 compound treatment 0.0 0.129 0.18 -0.313 -0.242 -0.48 -0.539 -0.488938564026647 -0.94170896438811 -0.7128 -0.6653 1296353 TimTec1_001197 CCOC(=O)c1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G10 compound treatment 0.403 0.532 0.76 -0.413 -0.342 -0.67 -0.767 -0.716938564026647 -1.38084316176508 -0.7496 -0.4376 3209886 TimTec1_001198 OC(=O)c1c(SC(C#N)c2ccc(Cl)cc2)nc(cc1c3ccccc3)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G11 compound treatment 0.031 0.16 0.23 -0.45 -0.379 -0.75 -0.649 -0.598938564026647 -1.15357195435068 -0.9659 -0.6932 1298662 TimTec1_001199 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccc3OCCOc3c2)SCC(=O)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G12 compound treatment -0.123 0.00641 0.01 -0.145 -0.0736 -0.15 -0.182 -0.131938564026647 -0.254117260600489 -0.2253 -0.7694 1652210 TimTec1_001200 COC(=O)C1=C(N)OC(=C(C1c2ccc(OC)c(OC)c2)C(=O)OC)CC#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G13 compound treatment -0.909 -0.78 -1.11 0.0 0.0714 0.14 -0.297 -0.246938564026647 -0.475610386470451 -0.8331 -0.686 1672888 TimTec1_001201 Oc1cc(=O)c2sc3nc(c4cccnc4)c5CCCCc5c3c2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G14 compound treatment -0.81 -0.681 -0.97 -0.184 -0.113 -0.22 0.0 0.050061435973353 0.096419686428495 -0.6313 -0.6329 1564023 TimTec1_001202 CC(C)c1ccc(cc1)C2C3CN(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G15 compound treatment -0.4 -0.271 -0.38 0.074 0.145 0.29 0.203 0.253061435973353 0.487403204268515 0.2251 0.329 3210009 TimTec1_001203 COC(=O)C1=CN2[C@@H](C#N)[C@H](c3cccnc3)C(C2C=C1)(C(=O)OC)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G16 compound treatment -1.892 -1.76 -2.51 -1.432 -1.36 -2.69 -0.873 -0.822938564026647 -1.58500204300174 -3.913 -0.978 1397215 TimTec1_001204 CCNC(=O)c1sc(C)nc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G17 compound treatment -0.857 -0.728 -1.03 -1.108 -1.04 -2.05 -0.549 -0.498938564026647 -0.96096923620289 -2.3337 -0.9386 3082503 TimTec1_001205 CSc1nc(SCC(=O)C(C)C)nc(N)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G18 compound treatment -0.105 0.0244 0.03 -0.016 0.0554 0.11 -0.015 0.035061435973353 0.067529278706326 0.1222 0.9175 1115621 TimTec1_001206 CC(=O)Nc1nc2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G19 compound treatment 0.284 0.413 0.59 0.718 0.789 1.56 0.69 0.740061435973353 1.42537844164827 2.0622 0.9406 3210010 TimTec1_001207 NC1=C(C#N)C(c2ccc(Br)cc2)c3c(N1)c4ccccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G20 compound treatment -0.062 0.0674 0.1 -0.131 -0.0596 -0.12 -0.014 0.036061435973353 0.069455305887804 0.0275 0.165 1129886 TimTec1_001208 CC1(C)C(C(=O)Nc2ccccc2C#N)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G21 compound treatment -0.291 -0.162 -0.23 -0.72 -0.649 -1.28 -0.076 -0.025938564026647 -0.0499583793638278 -0.9008 -0.6919 1646804 TimTec1_001209 CC1=CC(=C(C#N)C(=S)C1CC(=O)c2cccs2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G22 compound treatment 0.357 0.486 0.69 -0.127 -0.0556 -0.11 -0.325 -0.274938564026647 -0.529539147551833 0.0302 0.0344 1362352 TimTec1_001210 Cc1ccc(cc1)S(=O)(=O)N(CCO)c2cc3CCCCc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G23 mock treatment -0.189 -0.0596 -0.08 0.406 0.477 0.94 0.026 0.076061435973353 0.146496393146921 0.5799 0.6055 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 G24 mock treatment -0.597 -0.468 -0.66 -0.087 -0.0156 -0.03 -0.077 -0.026938564026647 -0.0518844065453057 -0.4315 -0.6464 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H01 compound treatment 0.227 0.356 0.51 -0.037 0.0344 0.07 -0.076 -0.025938564026647 -0.0499583793638278 0.303 0.5898 1120313 TimTec1_001211 Cn1c2C(=O)CCCCc2c3cc(ccc13)C4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H02 compound treatment -1.3 -1.17 -1.66 -0.964 -0.893 -1.76 -0.295 -0.244938564026647 -0.471758332107495 -2.2508 -0.9114 3082508 TimTec1_001212 CC/1=NN(C(=O)\C1=C/c2c[nH]nc2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H03 compound treatment -0.422 -0.293 -0.42 -0.411 -0.34 -0.67 -0.127 -0.076938564026647 -0.148185765619202 -0.7128 -0.8879 1013623 TimTec1_001213 NC(=O)c1nnn(Cc2ccccc2)c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H04 compound treatment -0.434 -0.305 -0.43 -0.074 -0.00256 -0.01 0.317 0.367061435973353 0.706970302956999 0.1552 0.1872 3210011 TimTec1_001214 FC(F)(F)c1cc(oc(=S)c1C#N)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H05 compound treatment 0.105 0.234 0.33 1.19 1.26 2.28 0.294 0.344061435973353 0.662671677783007 1.8932 0.7886 1733044 TimTec1_001215 NC(=O)c1ccc(nc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H06 compound treatment 0.312 0.441 0.63 -0.735 -0.664 -1.31 -0.26 -0.209938564026647 -0.404347380755767 -0.6276 -0.4162 1733896 TimTec1_001216 O=C(NCCC(c1ccccc1)c2ccccc2)c3cc4ccccc4c(=O)o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H07 compound treatment -0.083 0.0464 0.07 0.048 0.119 0.24 -0.109 -0.058938564026647 -0.1135172763526 0.1087 0.4028 1785401 TimTec1_001217 Clc1c(NCC2CCCO2)cn[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H08 compound treatment -2.141 -2.01 -2.86 -2.0 -1.93 -3.81 -0.651 -0.600938564026647 -1.15742400871364 -4.518 -0.9219 3210012 TimTec1_001218 Cc1cc(C)c(C(=O)N2Cc3ccccc3N=C2S)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H09 compound treatment 0.18 0.309 0.44 -0.333 -0.262 -0.52 0.641 0.691061435973353 1.33100310975585 0.7243 0.4848 1181388 TimTec1_001219 O=C(Nc1ccccc1)C(=C2CCCC2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H10 compound treatment 0.094 0.223 0.32 0.391 0.462 0.91 0.553 0.603061435973353 1.16151271778579 1.3812 0.9139 1174029 TimTec1_001220 C(N1CCN(Cc2ccccc2)C1c3ccco3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H11 compound treatment -0.189 -0.0596 -0.08 -0.439 -0.368 -0.73 -0.403 -0.352938564026647 -0.679769267707112 -0.8604 -0.8621 1687568 TimTec1_001221 O=C(Nc1ccccc1C(=O)Nc2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H12 compound treatment 0.267 0.396 0.56 0.041 0.112 0.22 0.0 0.050061435973353 0.096419686428495 0.5092 0.8302 1393827 TimTec1_001222 CCc1ccc(cc1)C(=O)CC2OC(=O)c3c2ccc(OC)c3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H13 compound treatment 0.587 0.716 1.02 0.667 0.738 1.46 0.127 0.177061435973353 0.341025138476192 1.6268 0.8983 1145002 TimTec1_001223 CCC(=O)Nc1sc2CCCCCc2c1C(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H14 compound treatment -1.085 -0.956 -1.36 -0.429 -0.358 -0.71 -0.268 -0.217938564026647 -0.419755598207591 -1.4344 -0.9035 3210013 TimTec1_001224 Clc1ccc(SC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H15 compound treatment 1.031 1.16 1.63 0.81 0.881 1.74 0.492 0.542061435973353 1.04402505971564 2.5462 0.9792 1022241 TimTec1_001225 O=C1CCN(N1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H16 compound treatment 0.081 0.21 0.3 -0.061 0.0104 0.02 0.152 0.202061435973353 0.389175818013141 0.4093 0.8331 3082550 TimTec1_001226 CC(C)(C)c1ccc(cc1)N2C(=O)CCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H17 compound treatment 0.436 0.565 0.8 0.481 0.552 1.09 -0.031 0.019061435973353 0.0367128438026791 1.1151 0.8226 3210014 TimTec1_001227 N/N=C/1\CCCc2c1[nH]c3ccc(cc23)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H18 compound treatment 0.738 0.867 1.23 0.409 0.48 0.95 0.085 0.135061435973353 0.260131996854119 1.4099 0.8938 1154220 TimTec1_001228 Cc1n[nH]c2oc(=O)c(Cc3cccc(C)c3)c(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H19 compound treatment 0.58 0.709 1.01 -0.431 -0.36 -0.71 0.057 0.107061435973353 0.206203235772737 0.2915 0.2331 1503917 TimTec1_001229 Clc1ccc(cc1)C(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H20 compound treatment -0.683 -0.554 -0.79 -0.506 -0.435 -0.86 0.13 0.180061435973353 0.346803220020626 -0.7496 -0.617 1445779 TimTec1_001230 Fc1ccc(CSc2nc3ccccc3c(=O)n2c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H21 compound treatment 0.12 0.249 0.35 -0.264 -0.193 -0.38 0.361 0.411061435973353 0.791715498942028 0.4423 0.467 1530713 TimTec1_001231 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H22 compound treatment -0.604 -0.475 -0.67 -0.495 -0.424 -0.84 -0.416 -0.365938564026647 -0.704807621066325 -1.2794 -0.9955 3082554 TimTec1_001232 FC(F)(F)C1=Nc2ccccc2N(C1)c3ccc(Cl)c(Cl)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H23 mock treatment -0.17 -0.0406 -0.06 0.013 0.0844 0.17 0.062 0.112061435973353 0.215833371680127 0.1875 0.6728 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 H24 mock treatment -0.407 -0.278 -0.39 0.068 0.139 0.28 -0.06 -0.009938564026647 -0.0191419444601809 -0.08 -0.166 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I01 compound treatment -0.403 -0.274 -0.39 0.0 0.0714 0.14 -0.319 -0.268938564026647 -0.517982984462965 -0.4422 -0.667 1641212 TimTec1_001233 Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I02 compound treatment -1.353 -1.22 -1.74 -1.687 -1.62 -3.19 -1.129 -1.07893856402665 -2.07806500146009 -4.0459 -0.9666 1202800 TimTec1_001234 CC1=C(C#N)C(C(=C(N)O1)C(=O)OCc2ccccc2)c3cc(F)ccc3F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I03 compound treatment -3.246 -3.12 -4.43 -1.385 -1.31 -2.59 -3.036 -2.98593856402665 -5.75099883653851 -7.3761 -0.9568 1249954 TimTec1_001235 CC(C)c1ccc(C)cc1OCc2ccc(N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I04 compound treatment 0.246 0.375 0.53 0.051 0.122 0.24 0.863 0.913061435973353 1.75858114404395 1.4631 0.7893 3210015 TimTec1_001236 COc1cc(OCCN2CCOCC2)ccc1C3C(=C(N)Oc4[nH]c(nc34)C(F)(F)F)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I05 compound treatment -0.391 -0.262 -0.37 0.197 0.268 0.53 -0.646 -0.595938564026647 -1.14779387280625 -0.5714 -0.4336 3082557 TimTec1_001237 CC(C)c1ccc(cc1)N2C(=CC(C)(C)NC2=S)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I06 compound treatment -1.627 -1.5 -2.13 -0.741 -0.67 -1.32 -0.221 -0.170938564026647 -0.329232320678128 -2.1827 -0.8635 1171191 TimTec1_001238 CCCc1n[nH]c2N(C(=C(C#N)C(c3c(C)onc3Cl)c12)N)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I07 compound treatment -1.169 -1.04 -1.48 -0.683 -0.612 -1.21 -0.52 -0.469938564026647 -0.905114447940029 -2.0731 -0.9814 1003607 TimTec1_001239 OC(=O)c1cc(nc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I08 compound treatment -0.221 -0.0916 -0.13 -0.5 -0.429 -0.85 -0.28 -0.229938564026647 -0.442867924385326 -0.8194 -0.8501 1696034 TimTec1_001240 CC(C)OC(=O)c1cc(N)c2c(c(sc2n1)c3cccs3)c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I09 compound treatment 0.081 0.21 0.3 -0.583 -0.512 -1.01 0.128 0.178061435973353 0.34295116565767 -0.2125 -0.1918 3082561 TimTec1_001241 NC(=O)COc1ccc(cc1)C2C(=C(N)Oc3[nH]c(nc23)c4ccccc4)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I10 compound treatment -0.14 -0.0106 -0.02 0.391 0.462 0.91 0.511 0.561061435973353 1.08061957616372 1.1424 0.8074 1275672 TimTec1_001242 CC(C)(C)c1cc(c2cccs2)c(C#N)c(SCC(=O)Oc3ccccc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I11 compound treatment 0.417 0.546 0.78 -1.729 -1.66 -3.27 -0.771 -0.720938564026647 -1.38854727049099 -2.2427 -0.6163 1564906 TimTec1_001243 COCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccccc3COc4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I12 compound treatment 0.157 0.286 0.41 -0.742 -0.671 -1.32 -1.041 -0.990938564026647 -1.90857460949003 -1.6312 -0.6917 1280361 TimTec1_001244 CC(C)(C)c1nc2C(C(=C(N)Nc2o1)C(=O)N)c3ccc(OCC#N)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I13 compound treatment -0.859 -0.73 -1.04 -0.196 -0.125 -0.25 -0.013 0.037061435973353 0.0713813330692819 -0.6997 -0.6548 1705544 TimTec1_001245 CC(C)c1ccc(cc1)C2C(=C(N)Oc3[nH]c(C)nc23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I14 compound treatment -1.11 -0.981 -1.39 -0.043 0.0284 0.06 -0.067 -0.016938564026647 -0.0326241347305264 -0.7913 -0.567 1235982 TimTec1_001246 CC1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)C(=O)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I15 compound treatment 0.059 0.188 0.27 -0.062 0.00944 0.02 0.337 0.387061435973353 0.745490846586558 0.5958 0.7519 1422848 TimTec1_001247 COC(=O)C1=C(C)Oc2oc(C)cc(=O)c2C1c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I16 compound treatment -0.104 0.0254 0.04 0.079 0.15 0.3 0.614 0.664061435973353 1.27900037585595 0.9308 0.7086 1729172 TimTec1_001248 Nc1sc(NCC=C)c(C(=O)c2ccc(Br)s2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I17 compound treatment -0.624 -0.495 -0.7 -0.433 -0.362 -0.71 -0.314 -0.263938564026647 -0.508352848555576 -1.1117 -0.9893 1693885 TimTec1_001249 CCCc1nc2C(C(=C(N)Oc2o1)C#N)c3cccc(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I18 compound treatment -0.2 -0.0706 -0.1 -0.117 -0.0456 -0.09 0.209 0.259061435973353 0.498959367357383 0.1782 0.3448 1371394 TimTec1_001250 Clc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I19 compound treatment 1.098 1.23 1.67 1.81 1.88 2.68 1.08 1.13006143597335 2.09616178532219 3.7225 0.9817 3210016 TimTec1_001251 CC1=C(C#N)C(C2=C(O1)C(=O)CCC2)c3ccccc3C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I20 compound treatment -0.182 -0.0526 -0.07 -0.277 -0.206 -0.41 -0.402 -0.351938564026647 -0.677843240525634 -0.6689 -0.8428 3082567 TimTec1_001252 CC1(C)C(C(=O)Nc2nccs2)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I21 compound treatment 0.214 0.343 0.49 -0.228 -0.157 -0.31 -0.197 -0.146938564026647 -0.283007668322658 -0.06 -0.0932 3210017 TimTec1_001253 COCCC(=O)C1=CSC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I22 compound treatment -0.123 0.00641 0.01 -0.552 -0.481 -0.95 -0.636 -0.585938564026647 -1.12853360099147 -1.1941 -0.8099 3082601 TimTec1_001254 O=c1n2CCCc2nc3scc(c4ccccc4)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I23 mock treatment -0.608 -0.479 -0.68 0.136 0.207 0.41 0.357 0.407061435973353 0.784011390216117 0.2963 0.2655 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 I24 mock treatment -0.338 -0.209 -0.3 0.082 0.153 0.3 0.153 0.203061435973353 0.391101845194619 0.2295 0.3979 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J01 compound treatment -0.22 -0.0906 -0.13 0.231 0.302 0.6 0.032 0.082061435973353 0.158052556235789 0.3617 0.5731 1686618 TimTec1_001255 COC(=O)C1(CC2(CC3(CC(C1)(C(=O)OC)C2=O)C(=O)OC)C(=O)OC)C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J02 compound treatment 0.618 0.747 1.06 0.703 0.774 1.53 0.986 1.03606143597335 1.99548248736574 2.6485 0.9704 3210018 TimTec1_001256 CCOc1cc(/C=C\2/SC(=N)N(C2=O)c3nccs3)ccc1OCCN4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J03 compound treatment -0.309 -0.18 -0.26 0.274 0.345 0.68 0.167 0.217061435973353 0.41806622573531 0.4877 0.5808 1190635 TimTec1_001257 CC1OC(NC(=O)c2ccccc2F)C(NC(=O)c3ccccc3F)OC1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J04 compound treatment 0.034 0.163 0.23 -0.429 -0.358 -0.71 -0.467 -0.416938564026647 -0.803035007321699 -0.7371 -0.6736 1013629 TimTec1_001258 OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J05 compound treatment -0.975 -0.846 -1.2 0.131 0.202 0.4 -0.127 -0.076938564026647 -0.148185765619202 -0.5489 -0.4303 3082606 TimTec1_001259 Clc1ccc(OCCCC(=O)Nc2ccc3OCCOc3c2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J06 compound treatment 0.613 0.742 1.06 0.049 0.12 0.24 0.28 0.330061435973353 0.635707297242316 1.1137 0.8875 3210135 TimTec1_001260 N/C(=N/C#N)/c1sc2nc3CCCCCc3cc2c1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J07 compound treatment 0.397 0.526 0.75 -0.071 4.38E-4 0.0 -0.137 -0.086938564026647 -0.167446037433982 0.3359 0.438 3082608 TimTec1_001261 CN(C)CCNc1cn[nH]c(=O)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J08 compound treatment -0.838 -0.709 -1.01 -0.638 -0.567 -1.12 -0.492 -0.441938564026647 -0.851185686858647 -1.719 -0.9939 3210136 TimTec1_001262 CS(=O)(=O)NCCOc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J09 compound treatment 0.096 0.225 0.32 -0.164 -0.0926 -0.18 0.123 0.173061435973353 0.333321029750281 0.272 0.547 1582682 TimTec1_001263 OC(=O)c1ccccc1NC(=O)c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J10 compound treatment -0.177 -0.0476 -0.07 -0.536 -0.465 -0.92 0.025 0.075061435973353 0.144570365965443 -0.4852 -0.5211 1203455 TimTec1_001264 Nc1ccc(cc1)C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J11 compound treatment 0.071 0.2 0.28 -0.627 -0.556 -1.1 -1.284 -1.23393856402665 -2.37659921458917 -1.841 -0.6992 1327302 TimTec1_001265 Cc1ccccc1NC(=O)c2ccccc2NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J12 compound treatment 0.0 0.129 0.18 3.056 3.13 3.15 2.805 2.85506143597335 2.97913071945258 3.6441 0.8399 1350742 TimTec1_001266 OC(=O)c1cc(C(=O)O)c2cccc(Cl)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J13 compound treatment -0.508 -0.379 -0.54 0.017 0.0884 0.17 0.028 0.078061435973353 0.150348447509877 -0.1232 -0.2103 1127240 TimTec1_001267 CNC(=O)c1c(N)sc2CCCCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J14 compound treatment -0.574 -0.445 -0.63 -0.311 -0.24 -0.47 -0.257 -0.206938564026647 -0.398569299211333 -0.8682 -0.9816 3210137 TimTec1_001268 CC(C)(C)c1ccc(cc1)C(=O)CC(N2CCCCC2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J15 compound treatment -0.206 -0.0766 -0.11 0.063 0.134 0.27 -0.129 -0.078938564026647 -0.152037819982158 0.0026 0.008 1913738 TimTec1_001269 Oc1ccc(/C=N/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J16 compound treatment -0.583 -0.454 -0.64 -0.592 -0.521 -1.03 -0.333 -0.282938564026647 -0.544947365003656 -1.2804 -0.9626 1404011 TimTec1_001270 O=C(Cc1ccccc1)Oc2ccc(cc2)C3SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J17 compound treatment -1.059 -0.93 -1.32 -1.2 -1.13 -2.23 -0.263 -0.212938564026647 -0.410125462300201 -2.2864 -0.8716 1230646 TimTec1_001271 C1CCC(CC1)c2ccc3c(c2)c4CCCc5nccn3c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J18 compound treatment -0.013 0.116 0.17 0.0 0.0714 0.14 0.252 0.302061435973353 0.581778536160934 0.5129 0.8258 3210138 TimTec1_001272 Clc1ccc(CSC2CC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J19 compound treatment -0.264 -0.135 -0.19 -0.507 -0.436 -0.86 -0.509 -0.458938564026647 -0.883928148943772 -1.1174 -0.8953 1613380 TimTec1_001273 CN1C(=O)COc2ccc(cc12)C(=O)c3ccccc3C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J20 compound treatment 0.178 0.307 0.44 0.0 0.0714 0.14 -0.209 -0.158938564026647 -0.306119994500393 0.157 0.2845 1384728 TimTec1_001274 COc1ccc(NCC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J21 compound treatment 0.321 0.45 0.64 -0.29 -0.219 -0.43 0.093 0.143061435973353 0.275540214305943 0.2797 0.3411 3210139 TimTec1_001275 COc1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J22 compound treatment -0.674 -0.545 -0.77 -2.287 -2.22 -4.37 -1.59 -1.53993856402665 -2.96596353212142 -4.6851 -0.8771 3082616 TimTec1_001276 SC1=Nc2ccccc2CN1C(=O)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J23 mock treatment 0.054 0.183 0.26 0.03 0.101 0.2 0.194 0.244061435973353 0.470068959635214 0.5376 0.9371 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 J24 mock treatment 0.185 0.314 0.45 -0.029 0.0424 0.08 -0.061 -0.010938564026647 -0.0210679716416588 0.2943 0.6464 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K01 compound treatment -0.018 0.111 0.16 0.478 0.549 1.08 0.297 0.347061435973353 0.668449759327441 1.1037 0.8596 3210140 TimTec1_001277 N=c1sc(C(=O)c2ccccc2)c3scc(c4ccccc4)n13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K02 compound treatment -0.121 0.00841 0.01 0.179 0.25 0.49 0.141 0.191061435973353 0.367989519016883 0.5049 0.8189 1261528 TimTec1_001278 COc1cc(OC)cc(c1)C2C(=C(N)OC(=C2C#N)N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K03 compound treatment -0.94 -0.811 -1.15 -0.224 -0.153 -0.3 -0.118 -0.067938564026647 -0.130851520985901 -0.9149 -0.7634 1566998 TimTec1_001279 COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K04 compound treatment 1.471 1.6 1.86 0.235 0.306 0.61 -0.161 -0.110938564026647 -0.213670689789452 1.2991 0.6607 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K05 compound treatment -0.947 -0.818 -1.16 -1.246 -1.17 -2.32 -0.481 -0.430938564026647 -0.82999938786239 -2.4893 -0.9139 1004876 TimTec1_001281 OC(=O)c1cc(=O)cc(o1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K06 compound treatment -0.187 -0.0576 -0.08 0.288 0.359 0.71 0.016 0.066061435973353 0.127236121332142 0.4359 0.6007 3082619 TimTec1_001282 Cc1nc(/C=C(/N)\C#N)cn1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K07 compound treatment -0.577 -0.448 -0.64 -0.303 -0.232 -0.46 -0.074 -0.023938564026647 -0.0461063250008719 -0.658 -0.8383 1429878 TimTec1_001283 COc1ccc2CCC(CC3(O)C(=O)Nc4ccccc43)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K08 compound treatment -0.75 -0.621 -0.88 -0.836 -0.765 -1.51 -0.068 -0.017938564026647 -0.0345501619120044 -1.401 -0.801 1203304 TimTec1_001284 Cc1sc2nc(cc(N)c2c1C)C(=O)Oc3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K09 compound treatment -0.224 -0.0946 -0.13 -0.337 -0.266 -0.52 -0.596 -0.545938564026647 -1.05149251373235 -0.9875 -0.835 3210142 TimTec1_001285 NC(=S)/C(=C\Nc1ccccc1C#N)/C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K10 compound treatment 0.0 0.129 0.18 -0.101 -0.0296 -0.06 -0.15 -0.099938564026647 -0.192484390793195 -0.0386 -0.1416 1195774 TimTec1_001286 CC(C)c1ccc(cc1)C2C(=C(Oc3[nH]c(C)nc23)C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K11 compound treatment -0.187 -0.0576 -0.08 -0.561 -0.49 -0.97 -0.338 -0.287938564026647 -0.554577500911046 -0.9256 -0.8283 1673016 TimTec1_001287 COc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3ccc(OC(C)C)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K12 compound treatment -0.138 -0.00859 -0.01 0.634 0.705 1.39 0.492 0.542061435973353 1.04402505971564 1.3999 0.8042 1572307 TimTec1_001288 CCCN1CC=C2C(C#N)(C#N)C(=C(C#N)C(c3ccc(OCC(=O)N)cc3)C2(C)C1)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K13 compound treatment -1.593 -1.46 -2.08 -0.781 -0.71 -1.4 -0.773 -0.722938564026647 -1.39239932485395 -2.8142 -0.9809 1290293 TimTec1_001289 Cc1nc2c(OC(=C(C#N)C32CCC(CC3)c4ccccc4)N)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K14 compound treatment 0.586 0.715 1.02 -0.133 -0.0616 -0.12 0.132 0.182061435973353 0.350655274383582 0.7195 0.6645 1495492 TimTec1_001290 CC(C)N1CC=C2C(C1)C(C(=C(N)C2(C#N)C#N)C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K15 compound treatment 0.048 0.177 0.25 0.354 0.425 0.84 0.309 0.359061435973353 0.691562085505176 1.0299 0.9221 1213258 TimTec1_001291 CCOC(=O)C(C#N)C(c1[nH]c(C)nc1O)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K16 compound treatment -0.795 -0.666 -0.95 -0.46 -0.389 -0.77 -0.373 -0.322938564026647 -0.621988452262774 -1.3484 -0.9858 1320005 TimTec1_001292 CCCc1cc(ccc1OC(C)C)C2C(=C(N)Nc3oc(OC)nc23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K17 compound treatment 0.733 0.862 1.23 0.171 0.242 0.48 0.012 0.062061435973353 0.11953201260623 1.0533 0.7969 1432035 TimTec1_001293 CC1(C)CC(=O)C2=C(C1)N(Cc3ccccc3)C(=C(C#N)C42CCOCC4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K18 compound treatment -0.092 0.0374 0.05 0.283 0.354 0.7 0.696 0.746061435973353 1.43693460473714 1.2644 0.7906 1488829 TimTec1_001294 Clc1cccc(c1)C(=O)N(Cc2ccccc2)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K19 compound treatment 0.642 0.771 1.1 1.0 1.07 2.12 0.789 0.839061435973353 1.61605513261458 2.7877 0.9682 3210143 TimTec1_001295 Fc1ccc(cc1)C(=O)[C@@H]2[C@@H](C#N)[C@@](C#N)([C@@H]3N2C=Cc4ccccc34)C(=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K20 compound treatment 0.487 0.616 0.88 1.27 1.34 2.35 0.444 0.494061435973353 0.951575755004697 2.4099 0.8995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K21 compound treatment -0.143 -0.0136 -0.02 -1.036 -0.965 -1.9 -0.685 -0.634938564026647 -1.22290893288389 -1.8168 -0.8027 1142263 TimTec1_001297 COC(=O)C1=C(C)SC(=C(C#N)C1c2ccc(OC(C)C)c(OC)c2)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K22 compound treatment 0.507 0.636 0.9 -0.075 -0.00356 -0.01 0.558 0.608061435973353 1.17114285369318 1.1945 0.8071 1427516 TimTec1_001298 O=C(N1CN(Cc2c3CCCCc3sc12)C4CCCCC4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K23 mock treatment -0.155 -0.0256 -0.04 0.25 0.321 0.63 0.067 0.117061435973353 0.225463507587516 0.4756 0.7051 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 K24 mock treatment -0.076 0.0534 0.08 0.236 0.307 0.61 0.167 0.217061435973353 0.41806622573531 0.6357 0.8579 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L01 compound treatment 0.043 0.172 0.25 -0.337 -0.266 -0.52 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.1623 -0.2803 1725268 TimTec1_001299 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3ccn(n3)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L02 compound treatment 1.625 1.75 1.92 1.258 1.33 2.34 2.085 2.13506143597335 2.71914962603827 4.0296 0.9904 3082669 TimTec1_001300 N=C1S/C(=C/c2ccco2)/C(=O)N1c3nccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L03 compound treatment -0.189 -0.0596 -0.08 -0.114 -0.0426 -0.08 0.344 0.394061435973353 0.758973036856903 0.3408 0.4435 1704974 TimTec1_001301 COC1C(OC)N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L04 compound treatment -1.468 -1.34 -1.9 -1.194 -1.12 -2.22 -0.452 -0.401938564026647 -0.77414459959953 -2.8255 -0.9349 1126229 TimTec1_001302 CC(C)(C)c1cc(O)cc(c1CN2CCN(CCN)CC2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L05 compound treatment -0.982 -0.853 -1.21 -0.429 -0.358 -0.71 -0.113 -0.062938564026647 -0.121221385078511 -1.1775 -0.8362 3210144 TimTec1_001303 O=C1CN2C(=C1c3nc4ccccc4c(=O)[nH]3)NC(=O)c5ccccc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L06 compound treatment -0.159 -0.0296 -0.04 0.032 0.103 0.2 -1.658 -1.60793856402665 -3.09693338046192 -1.6944 -0.5459 1508923 TimTec1_001304 CN1CCC2(CC1)C(=C(N)Oc3n[nH]c(C(=O)OC(C)(C)C)c32)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L07 compound treatment -0.385 -0.256 -0.36 -0.267 -0.196 -0.39 0.793 0.843061435973353 1.62375924134049 0.5047 0.2955 1206601 TimTec1_001305 O=c1[nH]nc(c2ccccc2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L08 compound treatment -0.625 -0.496 -0.7 -0.596 -0.525 -1.04 -0.511 -0.460938564026647 -0.887780203306728 -1.5174 -0.9883 3210145 TimTec1_001306 COC(=O)c1ccc2ccccc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L09 compound treatment -0.091 0.0384 0.05 -0.127 -0.0556 -0.11 0.793 0.843061435973353 1.62375924134049 0.9057 0.5562 1306892 TimTec1_001307 OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc3CCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L10 compound treatment -0.836 -0.707 -1.0 -1.944 -1.87 -3.7 -0.721 -0.670938564026647 -1.29224591141709 -3.4608 -0.8559 1170047 TimTec1_001308 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L11 compound treatment -0.06 0.0694 0.1 -0.451 -0.38 -0.75 -0.308 -0.257938564026647 -0.496796685466708 -0.6625 -0.7325 1153508 TimTec1_001309 CCc1nc2ccccc2c(=O)n1c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L12 compound treatment 0.082 0.211 0.3 -0.611 -0.54 -1.07 -0.145 -0.094938564026647 -0.182854254885805 -0.5471 -0.4877 1500311 TimTec1_001310 OC(=O)c1cc(O)nc2c(Cl)cccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L13 compound treatment -0.561 -0.432 -0.61 -0.78 -0.709 -1.4 -0.123 -0.072938564026647 -0.140481656893291 -1.2431 -0.8103 1714700 TimTec1_001311 CCOc1ccc(NC(=O)C(=C2CCCCCC2)C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L14 compound treatment -0.071 0.0584 0.08 -0.189 -0.118 -0.23 0.175 0.225061435973353 0.433474443187133 0.1642 0.3293 3210146 TimTec1_001312 CN1CCN(CC1)C(CC(=O)c2ccc(C)cc2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L15 compound treatment -0.02 0.109 0.16 0.366 0.437 0.86 0.417 0.467061435973353 0.899573021104793 1.1079 0.8815 3082677 TimTec1_001313 C/C(=C/c1ccccc1)/C=N/c2c(C)n(C)n(c3ccccc3)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L16 compound treatment -1.316 -1.19 -1.69 -0.988 -0.917 -1.81 -1.0 -0.949938564026647 -1.82960749504944 -3.0752 -0.9994 3210147 TimTec1_001314 Clc1ccccc1C(=O)Oc2ccc(cc2)C3SCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L17 compound treatment -0.643 -0.514 -0.73 0.316 0.387 0.77 0.0 0.050061435973353 0.096419686428495 0.0758 0.0713 3082679 TimTec1_001315 Clc1nsnc1N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L18 compound treatment 0.063 0.192 0.27 0.152 0.223 0.44 0.026 0.076061435973353 0.146496393146921 0.4972 0.9219 1080207 TimTec1_001316 CCn1c(=O)c2ccccc2[nH]c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L19 compound treatment -0.087 0.0424 0.06 -0.565 -0.494 -0.97 -0.58 -0.529938564026647 -1.02067607882871 -1.1171 -0.7909 1587528 TimTec1_001317 Clc1nc2ccccc2n3c(nnc13)c4coc5ccccc5c4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L20 compound treatment -1.941 -1.81 -2.58 -1.02 -0.949 -1.87 -0.989 -0.938938564026647 -1.80842119605318 -3.6125 -0.9864 3082732 TimTec1_001318 OC(=O)C(CC(=O)c1ccc(Cl)cc1)Sc2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L21 compound treatment 0.607 0.736 1.05 0.026 0.0974 0.19 0.014 0.064061435973353 0.123384066969186 0.7868 0.7342 3210266 TimTec1_001319 N#Cc1c(SC2CCCC2)nsc1SC3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L22 compound treatment -0.629 -0.5 -0.71 -0.099 -0.0276 -0.05 -0.412 -0.361938564026647 -0.697103512340413 -0.844 -0.8468 3210267 TimTec1_001320 Cc1n(C)c(c[n+]1c2c3CCCCCn3n(c4ccccc4)c2=O)c5ccc(C)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L23 mock treatment -0.129 4.09E-4 0.0 -0.071 4.38E-4 0.0 0.109 0.159061435973353 0.30635664920959 0.1777 0.5801 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 L24 mock treatment 0.067 0.196 0.28 -0.365 -0.294 -0.58 -0.03 0.020061435973353 0.0386388709841571 -0.1511 -0.2345 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M01 compound treatment -0.846 -0.717 -1.02 -0.276 -0.205 -0.4 0.046 0.096061435973353 0.18501693677648 -0.7146 -0.6429 3082736 TimTec1_001321 Cc1ccc(cc1)S(=O)(=O)N2CCC(=C(O)c3ccccc23)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M02 compound treatment 0.798 0.927 1.32 1.588 1.66 2.56 0.723 0.773061435973353 1.48893733863704 3.0995 0.9559 3210268 TimTec1_001322 Cc1nc2C(C(=C(N)N(c2o1)c3ccccc3)C#N)c4c(C)n(nc4Cl)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M03 compound treatment -0.243 -0.114 -0.16 -0.368 -0.297 -0.59 0.076 0.126061435973353 0.242797752220818 -0.2911 -0.4451 3082738 TimTec1_001323 Nc1cc(ccc1Oc2ccc(cc2)C3CCCCC3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M04 compound treatment 0.214 0.343 0.49 0.036 0.107 0.21 0.651 0.701061435973353 1.35026338157063 1.1839 0.8157 1129265 TimTec1_001324 OC(=O)c1c(SCc2ccc(C#N)cc2)nc(c3cccs3)c4CCCCc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M05 compound treatment 0.054 0.183 0.26 0.161 0.232 0.46 -0.371 -0.320938564026647 -0.618136397899818 0.0586 0.0722 1016658 TimTec1_001325 C[N+](C)(C)CCOC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M06 compound treatment -0.655 -0.526 -0.75 -0.036 0.0354 0.07 0.0 0.050061435973353 0.096419686428495 -0.3354 -0.4432 1533994 TimTec1_001326 NC1=C(C#N)C(c2c(noc2N1)c3cccc(O)c3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M07 compound treatment -0.377 -0.248 -0.35 -0.489 -0.418 -0.82 -0.413 -0.362938564026647 -0.699029539521891 -1.0828 -0.9525 1273967 TimTec1_001327 CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M08 compound treatment 0.071 0.2 0.28 0.809 0.88 1.74 1.327 1.37706143597335 2.29427391344437 2.4928 0.8618 1285313 TimTec1_001328 CC(C)(C)C1CCC2(CC1)C(C#N)C2(C#N)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M09 compound treatment 0.012 0.141 0.2 -0.123 -0.0516 -0.1 -0.025 0.025061435973353 0.0482690068915467 0.0852 0.3695 1588817 TimTec1_001329 CNc1sc(C(=O)CC=C)c(N)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M10 compound treatment -0.241 -0.112 -0.16 -0.679 -0.608 -1.2 -1.329 -1.27893856402665 -2.46327043775568 -2.2064 -0.8039 1441689 TimTec1_001330 CCOC(=O)c1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M11 compound treatment 0.318 0.447 0.64 -0.518 -0.447 -0.88 -0.4 -0.349938564026647 -0.673991186162678 -0.5309 -0.4151 1280958 TimTec1_001331 CCOc1ccc(cc1OC)C2C=C(N)Oc3[nH]c(COC)nc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M12 compound treatment 0.014 0.143 0.2 -0.61 -0.539 -1.06 -0.437 -0.386938564026647 -0.745254191877361 -0.9265 -0.7049 1479215 TimTec1_001332 CCc1ccc(cc1)N2C(=C(C#N)C(c3c(C)noc23)c4cccc(Cl)c4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M13 compound treatment -0.947 -0.818 -1.16 -0.255 -0.184 -0.36 0.03 0.080061435973353 0.154200501872833 -0.7914 -0.6448 3082744 TimTec1_001333 N#C/C=C/N(C#N)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M14 compound treatment -1.527 -1.4 -1.99 -1.408 -1.34 -2.64 -0.677 -0.626938564026647 -1.20750071543206 -3.368 -0.9576 1118063 TimTec1_001334 CCOC(=O)C1C(=C(OC(=C1C#N)N)c2ccc(Cl)cc2)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M15 compound treatment 0.775 0.904 1.29 0.919 0.99 1.96 0.455 0.505061435973353 0.972762054000954 2.4331 0.96 3082746 TimTec1_001335 CCOC(=O)N1CCC2(CC1)C(=C(C)Nc3oc(C)nc32)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M16 compound treatment -0.217 -0.0876 -0.12 -0.278 -0.207 -0.41 -0.628 -0.577938564026647 -1.11312538353965 -0.95 -0.797 3210269 TimTec1_001336 CCCc1nc2c(o1)N(C(=O)OCC)C(=C(C#N)C32CCNCC3)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M17 compound treatment -0.229 -0.0996 -0.14 -0.351 -0.28 -0.55 -0.927 -0.876938564026647 -1.68900751080155 -1.3756 -0.7717 1631479 TimTec1_001337 CC(C)N1C(=C(C#N)C2(CCNCC2)C(C#N)C1=O)S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M18 compound treatment 0.08 0.209 0.3 -0.352 -0.281 -0.55 -0.171 -0.120938564026647 -0.232930961604231 -0.2824 -0.4211 3210270 TimTec1_001338 CCN(CC)C(=O)c1cccc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M19 compound treatment -0.233 -0.104 -0.15 0.021 0.0924 0.18 0.318 0.368061435973353 0.708896330138477 0.4296 0.5754 1388678 TimTec1_001339 COc1cc(ccc1OCCN2CCOCC2)C3C(=C(C)Nc4oc(C)nc34)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M20 compound treatment -0.029 0.1 0.14 -0.187 -0.116 -0.23 0.0 0.050061435973353 0.096419686428495 0.0064 0.0222 3082750 TimTec1_001340 CCOC(=O)c1oc2ccc(/C=N\C(C)(C)C)c(Cl)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M21 compound treatment 0.143 0.272 0.39 -0.345 -0.274 -0.54 -0.282 -0.231938564026647 -0.446719978748282 -0.3462 -0.4323 3210271 TimTec1_001341 COC(=O)C1=C(OC(=C(C#N)C1c2ccccc2c3ccccc3)C)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M22 compound treatment -0.057 0.0724 0.1 -0.527 -0.456 -0.9 -1.115 -1.06493856402665 -2.0511006209194 -1.6441 -0.7333 1636367 TimTec1_001342 CCCCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M23 mock treatment -0.149 -0.0196 -0.03 0.397 0.468 0.92 0.204 0.254061435973353 0.489329231449993 0.8004 0.7647 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 M24 mock treatment -0.514 -0.385 -0.55 -0.067 0.00444 0.01 0.243 0.293061435973353 0.564444291527632 0.0152 0.0194 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N01 compound treatment -1.517 -1.39 -1.97 0.085 0.156 0.31 0.271 0.321061435973353 0.618373052609015 -0.6037 -0.2888 3210272 TimTec1_001343 CCc1cc2c(=O)c3c(cn4ccccc34)oc2cc1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N02 compound treatment -1.032 -0.903 -1.28 -0.746 -0.675 -1.33 -0.356 -0.305938564026647 -0.589245990177649 -1.8501 -0.9531 3082752 TimTec1_001344 Nc1nonc1N2C(=N)S/C(=C/c3ccccc3)/C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N03 compound treatment 0.232 0.361 0.51 1.115 1.19 2.22 0.757 0.807061435973353 1.55442226280729 2.476 0.8975 1211420 TimTec1_001345 COc1ccc(cc1)C(=O)N2c3ccccc3CCc4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N04 compound treatment 0.138 0.267 0.38 -0.106 -0.0346 -0.07 0.031 0.081061435973353 0.156126529054311 0.2702 0.6486 1688649 TimTec1_001346 CC(=O)Nc1[nH]c2CCCCCc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N05 compound treatment 0.381 0.51 0.73 0.379 0.45 0.89 0.229 0.279061435973353 0.537479910986941 1.2428 0.9805 1368911 TimTec1_001347 Clc1c(NCc2ccco2)cnn(c3ccccc3)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N06 compound treatment 0.116 0.245 0.35 0.591 0.662 1.31 0.808 0.858061435973353 1.65264964906266 1.9108 0.8944 1227629 TimTec1_001348 COc1ccc(NC2CS(=O)(=O)CC2OC(=O)c3ccc(F)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N07 compound treatment -0.025 0.104 0.15 0.083 0.154 0.3 0.468 0.518061435973353 0.997800407360167 0.8378 0.795 1520272 TimTec1_001349 O=C(Cc1ccccc1)Nc2c(cnn2c3ccccc3)C(=O)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N08 compound treatment -0.267 -0.138 -0.2 -2.193 -2.12 -4.19 -0.824 -0.773938564026647 -1.49062671110932 -3.3921 -0.7622 1561090 TimTec1_001350 Cc1cc2nc(SCC(=O)NN)[nH]c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N09 compound treatment -0.333 -0.204 -0.29 -0.079 -0.00756 -0.01 0.052 0.102061435973353 0.196573099865347 -0.0623 -0.1777 1634252 TimTec1_001351 O=C(Nc1ccccc1C(=O)N2CCN(Cc3ccccc3)CC2)c4ccccn4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N10 compound treatment -0.044 0.0854 0.12 -0.053 0.0184 0.04 -0.268 -0.217938564026647 -0.419755598207591 -0.1512 -0.3449 1534295 TimTec1_001352 COc1ccc(NC(=O)c2cccs2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N11 compound treatment 0.114 0.243 0.35 -0.385 -0.314 -0.62 -0.767 -0.716938564026647 -1.38084316176508 -0.9549 -0.6151 3082818 TimTec1_001353 FC(F)(F)c1nc2ccccc2c(=O)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N12 compound treatment -0.043 0.0864 0.12 -1.0 -0.929 -1.83 -1.5 -1.44993856402665 -2.7926210857884 -2.5999 -0.7777 3210273 TimTec1_001354 Cc1cc(OCc2ccc(Br)cc2)nc(n1)c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N13 compound treatment -0.383 -0.254 -0.36 -0.387 -0.316 -0.62 -0.475 -0.424938564026647 -0.818443224773522 -1.0404 -0.9545 1039615 TimTec1_001355 O=c1n(c2ccccc2)c(nc3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N14 compound treatment -1.681 -1.55 -2.21 -1.987 -1.92 -3.78 -1.12 -1.06993856402665 -2.06073075682679 -4.6471 -0.9603 3210274 TimTec1_001356 FC(F)(F)c1cc(NC(=O)C(=S)NCc2ccco2)ccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N15 compound treatment -0.03 0.0994 0.14 0.226 0.297 0.59 0.303 0.353061435973353 0.680005922416308 0.8133 0.8941 3210275 TimTec1_001357 CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N16 compound treatment -0.267 -0.138 -0.2 -0.362 -0.291 -0.57 0.116 0.166061435973353 0.319838839479935 -0.2595 -0.3787 3082822 TimTec1_001358 Cc1sc(Cc2ccc(Cl)cc2)nc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N17 compound treatment -0.032 0.0974 0.14 0.153 0.224 0.44 0.1 0.150061435973353 0.289022404576288 0.5027 0.9191 3082824 TimTec1_001359 N=C1SCC(=O)N1c2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N18 compound treatment 0.333 0.462 0.66 0.218 0.289 0.57 0.014 0.064061435973353 0.123384066969186 0.7808 0.8874 3210276 TimTec1_001360 CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc3ccccc3c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N19 compound treatment -0.205 -0.0756 -0.11 0.379 0.45 0.89 0.289 0.339061435973353 0.653041541875617 0.8285 0.7473 1136080 TimTec1_001361 OC(c1oc2ccccc2c1c3cnn(c3)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N20 compound treatment -0.21 -0.0806 -0.11 -1.293 -1.22 -2.41 -0.527 -0.476938564026647 -0.918596638210375 -1.9891 -0.7699 3210277 TimTec1_001362 FC(F)(F)c1cccc(c1)c2nc3ccccc3c(=O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N21 compound treatment 0.298 0.427 0.61 -1.136 -1.06 -2.1 -0.418 -0.367938564026647 -0.70865967542928 -1.2719 -0.553 3210278 TimTec1_001363 FC(F)(F)c1cc(NC(=O)C(=S)NCCNc2cccc3ccccc23)cc(c1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N22 compound treatment -0.052 0.0774 0.11 -2.737 -2.67 -5.26 -1.619 -1.56893856402665 -3.02181832038428 -4.7198 -0.7776 3082828 TimTec1_001364 COc1ccc(cc1)c2cs/c(=N\Cc3ccccc3)/[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N23 mock treatment 0.097 0.226 0.32 0.058 0.129 0.26 0.068 0.118061435973353 0.227389534768994 0.4647 0.9893 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 N24 mock treatment 0.25 0.379 0.54 0.032 0.103 0.2 0.11 0.160061435973353 0.308282676391067 0.6073 0.9286 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O01 compound treatment -1.685 -1.56 -2.21 -1.453 -1.38 -2.73 -0.677 -0.626938564026647 -1.20750071543206 -3.549 -0.9557 1081644 TimTec1_001365 COc1cc2CCN=C(CC#N)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O02 compound treatment -0.127 0.00241 0.0 0.318 0.389 0.77 0.427 0.477061435973353 0.918833292919572 0.9764 0.8149 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O03 compound treatment -0.619 -0.49 -0.7 -0.167 -0.0956 -0.19 -0.266 -0.215938564026647 -0.415903543844635 -0.7509 -0.902 3082830 TimTec1_001367 CSc1nnc(c2ccccc2)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O04 compound treatment -0.416 -0.287 -0.41 0.078 0.149 0.3 0.049 0.099061435973353 0.190795018320914 0.0453 0.0841 3210280 TimTec1_001368 CC(C)(C)OC(=O)N1C(=C(C#N)C2(CCOCC2)c3nc([nH]c13)C(F)(F)F)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O05 compound treatment -0.379 -0.25 -0.35 1.291 1.36 2.36 0.029 0.079061435973353 0.152274474691355 1.2467 0.5209 1332895 TimTec1_001369 Cc1cc(=O)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O06 compound treatment -0.126 0.00341 0.0 -0.118 -0.0466 -0.09 0.6 0.650061435973353 1.25203599531525 0.6726 0.5357 1308936 TimTec1_001370 Fc1ccc(cc1)C(=O)CSC2=C(C#N)C(=O)C(C#N)C3(CCCC3)N2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O07 compound treatment -0.602 -0.473 -0.67 -1.027 -0.956 -1.89 -0.706 -0.655938564026647 -1.26335550369492 -2.2067 -0.9319 3210391 TimTec1_001371 O=C(NCCOc1ccccc1c2ccccc2)c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O08 compound treatment 0.573 0.702 1.0 0.015 0.0864 0.17 -0.012 0.038061435973353 0.0733073602507598 0.7174 0.7063 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O09 compound treatment -0.027 0.102 0.15 -0.513 -0.442 -0.87 -0.506 -0.455938564026647 -0.878150067399338 -0.9263 -0.7434 1300208 TimTec1_001373 Nc1sc(Nc2ccccc2)c(C#N)c1C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O10 compound treatment 0.293 0.422 0.6 0.044 0.115 0.23 0.234 0.284061435973353 0.547110046894331 0.7942 0.9413 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O11 compound treatment 0.265 0.394 0.56 -1.066 -0.995 -1.96 -1.013 -0.962938564026647 -1.85464584840865 -1.8808 -0.6818 1596487 TimTec1_001375 CCCc1nc2C(C(=C(N)Oc2[nH]1)C#N)c3cccc(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O12 compound treatment 0.649 0.778 1.11 -0.514 -0.443 -0.87 -0.746 -0.695938564026647 -1.34039659095404 -0.6394 -0.3287 3082899 TimTec1_001376 COc1ccc(cc1)[C@H]2NC(=C(C#N)C(=O)[C@@H]2[n+]3ccccc3)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O13 compound treatment -0.782 -0.653 -0.93 -0.534 -0.463 -0.91 0.047 0.097061435973353 0.186942963957958 -0.9551 -0.7261 3210393 TimTec1_001377 NC1=C(C#N)C(c2nc(oc2N1c3ccccc3)c4ccccc4)c5cccc(O)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O14 compound treatment -1.788 -1.66 -2.36 -1.645 -1.57 -3.11 -0.817 -0.766938564026647 -1.47714452083898 -4.0081 -0.961 1397691 TimTec1_001378 CC1=C(C(C(=C(N)S1)C#N)c2ccoc2)C(=O)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O15 compound treatment -1.25 -1.12 -1.59 -0.691 -0.62 -1.22 -0.42 -0.369938564026647 -0.712511729792236 -2.0375 -0.956 1415097 TimTec1_001379 CCCc1nc2C(C(=C(N)Nc2o1)C#N)c3ccc(OC(C)C)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O16 compound treatment 0.636 0.765 1.09 0.682 0.753 1.49 0.525 0.575061435973353 1.10758395670441 2.1267 0.989 3210394 TimTec1_001380 Clc1cccc(c1)C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O17 compound treatment -0.212 -0.0826 -0.12 -0.775 -0.704 -1.39 -0.263 -0.212938564026647 -0.410125462300201 -1.1066 -0.7615 3082903 TimTec1_001381 Cc1nc2C(C(=C(N)Nc2o1)C#N)c3c[nH]nc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O18 compound treatment 0.011 0.14 0.2 -0.018 0.0534 0.11 0.145 0.195061435973353 0.375693627742795 0.3931 0.8968 1268817 TimTec1_001382 COc1ccccc1NC(=O)c2ccc(cc2)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O19 compound treatment 0.0 0.129 0.18 0.39 0.461 0.91 0.16 0.210061435973353 0.404584035464964 0.8658 0.8541 3210395 TimTec1_001383 COc1cccc(c1)[C@@H]2[C@H]3CC(C)CC=C3C(C#N)(C#N)C(=C2C#N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O20 compound treatment -0.382 -0.253 -0.36 -0.029 0.0424 0.08 0.72 0.770061435973353 1.48315925709261 0.6973 0.4563 1627987 TimTec1_001384 CCOC(=O)c1c(NC(=O)C)sc2C(=O)NCCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O21 compound treatment -0.015 0.114 0.16 0.193 0.264 0.52 0.836 0.886061435973353 1.70657841014405 1.3807 0.7704 1713250 TimTec1_001385 CC(C)NC(=O)CSc1cc(c2cccnc2)c3CCCCc3c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O22 compound treatment 0.034 0.163 0.23 -0.687 -0.616 -1.22 -0.712 -0.661938564026647 -1.27491166678379 -1.3037 -0.7338 3210396 TimTec1_001386 CCOC(=O)c1c(N)sc2C(=O)C(CCc12)Sc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O23 mock treatment -0.131 -0.00159 0.0 0.187 0.258 0.51 0.23 0.280061435973353 0.539405938168419 0.6047 0.8144 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 O24 mock treatment -0.041 0.0884 0.13 0.014 0.0854 0.17 -0.016 0.034061435973353 0.0656032515248481 0.2078 0.9432 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P01 compound treatment -0.925 -0.796 -1.13 0.256 0.327 0.65 0.017 0.067061435973353 0.12916214851362 -0.2052 -0.1567 3082907 TimTec1_001387 COc1ccc2c(=S)c(c3cc4ccccc4o3)c(C)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P02 compound treatment 0.182 0.311 0.44 0.632 0.703 1.39 0.596 0.646061435973353 1.24433188658934 1.7759 0.9266 1033890 TimTec1_001388 C(Cc1nc2ccccc2[nH]1)Cc3nc4ccccc4[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P03 compound treatment -0.896 -0.767 -1.09 -0.935 -0.864 -1.71 -0.597 -0.546938564026647 -1.05341854091383 -2.2219 -0.9739 3082909 TimTec1_001389 S=CC1=C2NCCCN2C3CCCCC31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P04 compound treatment -0.79 -0.661 -0.94 -1.784 -1.71 -3.38 -0.867 -0.816938564026647 -1.57344587991287 -3.403 -0.8848 1117255 TimTec1_001390 NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P05 compound treatment -0.661 -0.532 -0.76 0.447 0.518 1.02 -0.194 -0.143938564026647 -0.277229586778224 -0.0054 -0.0042 1246425 TimTec1_001391 Cc1c(NC2CS(=O)(=O)CC2O)c(=O)n(c3ccccc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P06 compound treatment -0.946 -0.817 -1.16 -0.874 -0.803 -1.58 -0.507 -0.456938564026647 -0.880076094580816 -2.0933 -0.9725 1671747 TimTec1_001392 O=c1c(C2=NCCCCC2)c3[nH]c(cn3n1c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P07 compound treatment 0.442 0.571 0.81 0.495 0.566 1.12 0.495 0.545061435973353 1.04980314126007 1.7209 0.9914 1595982 TimTec1_001393 CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc3CC(C)CCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P08 compound treatment 0.477 0.606 0.86 0.352 0.423 0.84 0.368 0.418061435973353 0.805197689212374 1.4454 0.9996 1216494 TimTec1_001394 NNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P09 compound treatment 0.407 0.536 0.76 -0.216 -0.145 -0.29 -0.193 -0.142938564026647 -0.275303559596746 0.1166 0.1356 1492209 TimTec1_001395 O=c1[nH]c(nc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P10 compound treatment -0.885 -0.756 -1.07 -0.991 -0.92 -1.82 -0.859 -0.808938564026647 -1.55803766246105 -2.5681 -0.9792 1735994 TimTec1_001396 CCn1c(N)c(sc1=S)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P11 compound treatment 0.125 0.254 0.36 -0.159 -0.0876 -0.17 -0.273 -0.222938564026647 -0.42938573411498 -0.1389 -0.2364 1341596 TimTec1_001397 CCc1nc2ccccc2c(=O)n1c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P12 compound treatment -0.119 0.0104 0.01 -0.351 -0.28 -0.55 -0.063 -0.012938564026647 -0.0249200260046147 -0.3245 -0.5871 1919107 TimTec1_001398 Cc1cc(NCCCN2CCOCC2)nc(n1)c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P13 compound treatment -0.717 -0.588 -0.84 -0.086 -0.0146 -0.03 0.094 0.144061435973353 0.277466241487421 -0.3387 -0.3846 1420208 TimTec1_001399 CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc3CCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P14 compound treatment -0.178 -0.0486 -0.07 -0.64 -0.569 -1.12 -0.22 -0.169938564026647 -0.32730629349665 -0.877 -0.7487 1140583 TimTec1_001400 COc1ccc(C)cc1NC(=O)C(=S)NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P15 compound treatment -0.04 0.0894 0.13 -0.484 -0.413 -0.81 -0.141 -0.090938564026647 -0.175150146159893 -0.498 -0.5909 3210397 TimTec1_001401 NC(=N)NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P16 compound treatment -0.889 -0.76 -1.08 -0.478 -0.407 -0.8 -0.361 -0.310938564026647 -0.598876126085038 -1.4328 -0.9728 1142293 TimTec1_001402 O=C(Oc1ccc(cc1)C2SCCS2)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P17 compound treatment -0.127 0.00241 0.0 -0.042 0.0294 0.06 -0.194 -0.143938564026647 -0.277229586778224 -0.1245 -0.4396 1739320 TimTec1_001403 Clc1ccccc1C(=O)Nc2nonc2NC=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P18 compound treatment -0.031 0.0984 0.14 -0.287 -0.216 -0.43 -0.038 0.012061435973353 0.0232306535323336 -0.1515 -0.3378 1453837 TimTec1_001404 O=C(Cc1ccccc1)c2ccccc2C(=O)NCc3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P19 compound treatment 0.3 0.429 0.61 -0.399 -0.328 -0.65 -0.693 -0.642938564026647 -1.23831715033571 -0.7359 -0.4827 1670037 TimTec1_001405 CCc1cccc(CC)c1NC(=O)COc2ccccc2C(=O)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P20 compound treatment 0.551 0.68 0.97 0.616 0.687 1.36 0.264 0.314061435973353 0.604890862338669 1.6914 0.9539 3210398 TimTec1_001406 CC(C)Cc1ccc(/C=C/C(=O)N2CCN(C\C=C\c3ccccc3)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P21 compound treatment 0.333 0.462 0.66 -0.559 -0.488 -0.96 -0.215 -0.164938564026647 -0.31767615758926 -0.3596 -0.2977 3082991 TimTec1_001407 Cc1nc(SCc2noc(CSc3nc(C)c(C)c(C)c3C#N)n2)c(C#N)c(C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P22 compound treatment -0.636 -0.507 -0.72 0.073 0.144 0.29 -0.6 -0.549938564026647 -1.05919662245826 -0.8627 -0.6574 3210399 TimTec1_001408 Cc1ccc2NC(=O)/C(=N\N3C(=O)c4ccccc4C3=O)/c2c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P23 mock treatment -0.607 -0.478 -0.68 0.286 0.357 0.71 0.239 0.289061435973353 0.556740182801721 0.3369 0.299 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2066 P24 mock treatment 0.246 0.375 0.53 0.039 0.11 0.22 0.115 0.165061435973353 0.317912812298457 0.6176 0.938 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A01 compound treatment -0.667 -0.538 -0.76 -0.082 -0.0106 -0.02 -0.646 -0.595938564026647 -1.14779387280625 -1.116 -0.8092 1609023 TimTec1_001409 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A02 compound treatment 0.129 0.258 0.37 -0.008 0.0634 0.13 0.12 0.170061435973353 0.327542948205847 0.4735 0.9324 3210400 TimTec1_001410 CCN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A03 compound treatment -0.194 -0.0646 -0.09 -0.184 -0.113 -0.22 0.266 0.316061435973353 0.608742916701625 0.1701 0.2599 3210401 TimTec1_001411 OCC1OC(C(O)C1O)N2C3CCNC(=O)C3N=C2N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A04 compound treatment -0.463 -0.334 -0.47 -0.323 -0.252 -0.5 -0.174 -0.123938564026647 -0.238709043148665 -0.6984 -0.9606 1501937 TimTec1_001412 O=C(Nc1cccc(c1)N2CCCC2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A05 compound treatment 0.09 0.219 0.31 -0.478 -0.407 -0.8 -0.842 -0.791938564026647 -1.52529520037592 -1.164 -0.6645 1302244 TimTec1_001413 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)NC3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A06 compound treatment -0.893 -0.764 -1.09 -0.792 -0.721 -1.42 -0.604 -0.553938564026647 -1.06690073118418 -2.0642 -0.9907 3082998 TimTec1_001414 Nc1nc(SCc2ccccc2)n(n1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A07 compound treatment -0.472 -0.343 -0.49 -0.444 -0.373 -0.74 -0.386 -0.335938564026647 -0.647026805621987 -1.0795 -0.9867 1224047 TimTec1_001415 COc1ccccc1c2nn(CNc3ccccc3)c(=S)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A08 compound treatment -0.067 0.0624 0.09 -0.4 -0.329 -0.65 -0.036 0.014061435973353 0.0270827078952895 -0.3077 -0.4695 3083000 TimTec1_001416 CCOC(=O)c1sc(SC)nc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A09 compound treatment -0.025 0.104 0.15 -0.446 -0.375 -0.74 0.146 0.196061435973353 0.377619654924273 -0.1233 -0.1461 1232083 TimTec1_001417 Brc1ccc2C(=O)N(C(c3ccccc3)c4ccccc4)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A10 compound treatment -1.61 -1.48 -2.11 -0.814 -0.743 -1.47 -0.576 -0.525938564026647 -1.01297197010279 -2.6467 -0.9596 1258394 TimTec1_001418 CCN(CC)C(=O)c1c[nH]c2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A11 compound treatment 0.086 0.215 0.31 -0.037 0.0344 0.07 -0.147 -0.096938564026647 -0.186706309248761 0.1083 0.2966 1352649 TimTec1_001419 C(N1CCCN(Cc2ccccc2)C1c3ccncc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A12 compound treatment -0.111 0.0184 0.03 -1.717 -1.65 -3.25 -2.205 -2.15493856402665 -4.15047024873035 -4.2571 -0.8076 1285436 TimTec1_001420 Brc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A13 compound treatment -0.143 -0.0136 -0.02 0.053 0.124 0.25 0.0 0.050061435973353 0.096419686428495 0.1864 0.7042 3210402 TimTec1_001421 COc1cc(cc(OC)c1OC)C/2=NOC(=O)\C2=C/c3ccc(Cl)cc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A14 compound treatment -0.329 -0.2 -0.28 0.619 0.69 1.36 0.082 0.132061435973353 0.254353915309685 0.7701 0.544 3083004 TimTec1_001422 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccnc4)C(=O)CC(C)(C)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A15 compound treatment -0.137 -0.00759 -0.01 -0.265 -0.194 -0.38 -0.027 0.023061435973353 0.0444169525285909 -0.2012 -0.5228 3210403 TimTec1_001423 CSc1sc(C)cc1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A16 compound treatment -0.581 -0.452 -0.64 -0.391 -0.32 -0.63 -0.614 -0.563938564026647 -1.08616100299896 -1.3621 -0.9655 1473282 TimTec1_001424 N=c1[nH]c(cs1)c2ccc3OCCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A17 compound treatment 1.328 1.46 1.79 0.597 0.668 1.32 0.525 0.575061435973353 1.10758395670441 2.4359 0.98 1291516 TimTec1_001425 Nc1nonc1NC(=O)CSc2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A18 compound treatment -1.014 -0.885 -1.26 -0.667 -0.596 -1.18 -0.282 -0.231938564026647 -0.446719978748282 -1.663 -0.9349 1069221 TimTec1_001426 CSc1nnnn1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A19 compound treatment -0.212 -0.0826 -0.12 0.365 0.436 0.86 0.0 0.050061435973353 0.096419686428495 0.4854 0.5547 1502089 TimTec1_001427 COc1ccc(cc1)C2C3CCC=C3C(=C(N)C2(C#N)C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A20 compound treatment -0.247 -0.118 -0.17 -0.264 -0.193 -0.38 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.3171 -0.7634 1057528 TimTec1_001428 CC(=O)Oc1cccc2ccc(O)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A21 compound treatment -0.268 -0.139 -0.2 0.0 0.0714 0.14 -0.012 0.038061435973353 0.0733073602507598 0.01 0.0395 3210521 TimTec1_001429 Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A22 compound treatment -0.663 -0.534 -0.76 -0.149 -0.0776 -0.15 -0.163 -0.112938564026647 -0.217522744152408 -0.652 -0.811 1551108 TimTec1_001430 CCOC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A23 mock treatment 0.101 0.23 0.33 0.273 0.344 0.68 0.22 0.270061435973353 0.52014566635364 0.8821 0.9622 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 A24 mock treatment -1.618 -1.49 -2.12 -0.038 0.0334 0.07 0.0 0.050061435973353 0.096419686428495 -1.1281 -0.5322 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B01 compound treatment 0.299 0.428 0.61 -0.679 -0.608 -1.2 -0.088 -0.037938564026647 -0.073070705541563 -0.3831 -0.2844 1318272 TimTec1_001431 COc1ccc2nc(sc2c1)C(=O)N3CCN(C)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B02 compound treatment -0.292 -0.163 -0.23 -0.295 -0.224 -0.44 -0.158 -0.107938564026647 -0.207892608245018 -0.5084 -0.9415 1256461 TimTec1_001432 OC(=O)c1ccc(Nc2nnc(c3ccccc3)c(n2)c4ccccc4)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B03 compound treatment -0.28 -0.151 -0.21 -0.364 -0.293 -0.58 -0.176 -0.125938564026647 -0.242561097511621 -0.5972 -0.9019 3083011 TimTec1_001433 FC(F)(F)c1cccc(c1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B04 compound treatment -0.924 -0.795 -1.13 -0.533 -0.462 -0.91 -0.949 -0.898938564026647 -1.73138010879406 -2.178 -0.964 3210522 TimTec1_001434 C(C1COC(=N1)C2=N[C@@H](Cc3ccccc3)CO2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B05 compound treatment -0.234 -0.105 -0.15 -0.069 0.00244 0.0 -0.149 -0.098938564026647 -0.190558363611717 -0.1931 -0.7987 3083012 TimTec1_001435 Cc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B06 compound treatment -0.905 -0.776 -1.1 -0.041 0.0304 0.06 0.596 0.646061435973353 1.24433188658934 0.1165 0.07 3210523 TimTec1_001436 C/C(=N\O)/c1ccc2OCCOCCOCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B07 compound treatment -0.23 -0.101 -0.14 0.191 0.262 0.52 0.074 0.124061435973353 0.238945697857862 0.3546 0.6027 1208416 TimTec1_001437 O=C1N(CSc2nc3ccccc3s2)c4cccc5cccc1c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B08 compound treatment 2.606 2.74 2.22 2.104 2.18 2.82 2.805 2.85506143597335 2.97913071945258 4.6305 0.9925 3210524 TimTec1_001438 C[C@@H]1[C@@H]2CCC3[C@@](C)(CC(=O)O)CCC[C@]3(C)C2Cc4occc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B09 compound treatment -1.089 -0.96 -1.36 -0.887 -0.816 -1.61 -0.38 -0.329938564026647 -0.635470642533119 -2.0843 -0.9456 1668666 TimTec1_001439 C(SCc1ccccc1)c2cn3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B10 compound treatment -1.596 -1.47 -2.09 -0.649 -0.578 -1.14 -1.094 -1.04393856402665 -2.01065405010836 -3.0231 -0.9711 3210525 TimTec1_001440 ONC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B11 compound treatment -0.404 -0.275 -0.39 -0.4 -0.329 -0.65 -0.632 -0.581938564026647 -1.12082949226556 -1.2471 -0.922 3083091 TimTec1_001441 CCCOc1ccc(/C=C/C(=O)Nc2nnc[nH]2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B12 compound treatment 0.114 0.243 0.35 -0.049 0.0224 0.04 0.113 0.163061435973353 0.314060757935501 0.4067 0.8664 1621908 TimTec1_001442 NS(=O)(=O)c1nn2cc(nc2s1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B13 compound treatment -0.836 -0.707 -1.0 -0.45 -0.379 -0.75 -0.147 -0.096938564026647 -0.186706309248761 -1.1194 -0.8842 1239473 TimTec1_001443 Clc1c(NCc2ccccc2)cn[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B14 compound treatment -1.836 -1.71 -2.43 -1.05 -0.979 -1.93 -0.662 -0.611938564026647 -1.1786103077099 -3.1969 -0.9635 3210526 TimTec1_001444 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)/C=C/c3ccccn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B15 compound treatment -0.554 -0.425 -0.6 -0.176 -0.105 -0.21 -0.348 -0.297938564026647 -0.573837772725825 -0.799 -0.9312 3210527 TimTec1_001445 Brc1cc(c2coc3ccccc3c2=O)c4OCOCc4c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B16 compound treatment -0.364 -0.235 -0.33 -0.121 -0.0496 -0.1 0.127 0.177061435973353 0.341025138476192 -0.0522 -0.1072 3083094 TimTec1_001446 COc1cc(SC#N)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B17 compound treatment 2.145 2.27 2.1 1.414 1.49 2.45 0.481 0.531061435973353 1.02283876071938 3.217 0.9505 1121522 TimTec1_001447 COc1ccc(CCCc2nc3ccccc3[nH]2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B18 compound treatment 0.673 0.802 1.14 0.013 0.0844 0.17 0.354 0.404061435973353 0.778233308671683 1.2042 0.8657 3210528 TimTec1_001448 CNC(=S)Nc1ccc(OC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B19 compound treatment -0.689 -0.56 -0.8 0.17 0.241 0.48 -0.314 -0.263938564026647 -0.508352848555576 -0.4776 -0.4516 1022826 TimTec1_001449 O=C(Nc1ccccc1)Oc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B20 compound treatment -0.359 -0.23 -0.33 -0.167 -0.0956 -0.19 0.041 0.091061435973353 0.17538680086909 -0.1961 -0.4717 3083097 TimTec1_001450 CC1CCCCN1C(=O)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B21 compound treatment -0.581 -0.452 -0.64 -0.547 -0.476 -0.94 -0.329 -0.278938564026647 -0.537243256277745 -1.223 -0.9722 3210529 TimTec1_001451 O=C(NCc1ccco1)c2ccccc2N(Cc3ccccc3)S(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B22 compound treatment -0.39 -0.261 -0.37 -0.476 -0.405 -0.8 -0.472 -0.421938564026647 -0.812665143229089 -1.1443 -0.955 1271782 TimTec1_001452 CC(=O)Oc1ccc2c(NC3(OC(=O)C)C(=O)c4ccccc4C23OC(=O)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B23 mock treatment -0.742 -0.613 -0.87 0.157 0.228 0.45 0.014 0.064061435973353 0.123384066969186 -0.1712 -0.1732 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 B24 mock treatment -0.203 -0.0736 -0.1 0.274 0.345 0.68 -0.057 -0.00693856402664701 -0.0133638629157471 0.3257 0.4719 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C01 compound treatment -0.375 -0.246 -0.35 0.062 0.133 0.26 0.048 0.098061435973353 0.188868991139436 0.0596 0.125 1645231 TimTec1_001453 CCn1cnc2c(=O)[nH][nH]c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C02 compound treatment 0.048 0.177 0.25 -0.394 -0.323 -0.64 -0.124 -0.073938564026647 -0.142407684074769 -0.3043 -0.4349 2086755 TimTec1_001454 CCOC(=O)N1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C03 compound treatment -0.873 -0.744 -1.06 0.032 0.103 0.2 0.284 0.334061435973353 0.643411405968228 -0.121 -0.0965 1308938 TimTec1_001455 CCc1cc2c(=O)c(coc2cc1OC(C)C(=O)O)c3csc(C)n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C04 compound treatment 0.403 0.532 0.76 0.217 0.288 0.57 0.271 0.321061435973353 0.618373052609015 1.1229 0.9926 1446072 TimTec1_001456 CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C05 compound treatment -0.576 -0.447 -0.63 -0.159 -0.0876 -0.17 0.051 0.101061435973353 0.19464707268387 -0.354 -0.5159 1636408 TimTec1_001457 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C06 compound treatment -0.762 -0.633 -0.9 -0.237 -0.166 -0.33 -0.088 -0.037938564026647 -0.073070705541563 -0.7502 -0.7817 3083101 TimTec1_001458 Nc1n/c(=N\c2ccccc2)/ss1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C07 compound treatment -0.463 -0.334 -0.47 -0.175 -0.104 -0.2 -0.192 -0.141938564026647 -0.273377532415268 -0.5497 -0.9407 1676195 TimTec1_001459 CCSc1nc2ccccc2n1CC(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C08 compound treatment -0.25 -0.121 -0.17 -0.015 0.0564 0.11 -0.137 -0.086938564026647 -0.167446037433982 -0.1313 -0.4969 3083103 TimTec1_001460 CSc1nc(N)c(s1)C(=O)Nc2ccc(cc2)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C09 compound treatment 0.067 0.196 0.28 -0.06 0.0114 0.02 0.027 0.077061435973353 0.148422420328399 0.26 0.8199 3210530 TimTec1_001461 Cc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C10 compound treatment -0.767 -0.638 -0.91 -1.081 -1.01 -1.99 -1.042 -0.991938564026647 -1.91050063667151 -2.7773 -0.9557 1342383 TimTec1_001462 O=C(N(Cc1ccccc1)Cc2ccccc2)c3c[nH]c4ccccc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C11 compound treatment -1.091 -0.962 -1.37 -1.0 -0.929 -1.83 -1.89 -1.83993856402665 -3.5437716865648 -3.8939 -0.9232 1668351 TimTec1_001463 OC(=O)C1CCCN1C(=O)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C12 compound treatment 0.047 0.176 0.25 -1.865 -1.79 -3.54 -2.75 -2.69993856402665 -5.20015506263582 -4.9021 -0.7785 1266673 TimTec1_001464 O=C(Nc1ncccn1)c2c[nH]c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C13 compound treatment -0.258 -0.129 -0.18 -0.379 -0.308 -0.61 -0.5 -0.449938564026647 -0.866593904310471 -0.9565 -0.8907 3083106 TimTec1_001465 Fc1ccccc1C/2=NOC(=O)\C2=C/Nc3ccc(Cl)cn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C14 compound treatment -0.051 0.0784 0.11 0.09 0.161 0.32 0.655 0.705061435973353 1.35796749029654 1.0324 0.7378 1516165 TimTec1_001466 CCOC(=O)C1=C(C)OC(=C(C1c2cccnc2)C(=O)OCC)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C15 compound treatment -0.456 -0.327 -0.46 0.015 0.0864 0.17 0.123 0.173061435973353 0.333321029750281 0.0229 0.0384 3083108 TimTec1_001467 CSc1sc(C)cc1/C=N/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C16 compound treatment -0.774 -0.645 -0.92 -0.203 -0.132 -0.26 -0.087 -0.036938564026647 -0.071144678360085 -0.7202 -0.7539 3210531 TimTec1_001468 Clc1ccc(NC(=O)/N=c/2\[nH]c(cs2)c3ccccc3)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C17 compound treatment -0.69 -0.561 -0.8 -0.41 -0.339 -0.67 -0.192 -0.141938564026647 -0.273377532415268 -1.004 -0.9334 3083183 TimTec1_001469 Nc1nonc1NC(=O)CSC(=N)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C18 compound treatment -0.766 -0.637 -0.91 -0.396 -0.325 -0.64 -0.06 -0.009938564026647 -0.0191419444601809 -0.9036 -0.8147 1579055 TimTec1_001470 COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C19 compound treatment 1.387 1.52 1.82 1.534 1.61 2.53 0.588 0.638061435973353 1.22892366913752 3.2199 0.9615 1328959 TimTec1_001471 CCOc1ccc(OCC)c(c1)C2C(Cc3ccccc3)N4C(C=Cc5ccccc45)C2(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C20 compound treatment -0.521 -0.392 -0.56 0.031 0.102 0.2 -0.063 -0.012938564026647 -0.0249200260046147 -0.2191 -0.3695 3083185 TimTec1_001472 COC(=O)Nc1nccs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C21 compound treatment -0.671 -0.542 -0.77 -0.115 -0.0436 -0.09 -0.214 -0.163938564026647 -0.315750130407782 -0.6765 -0.8086 1288354 TimTec1_001473 Cc1ccc(c(C)c1)c2c(C#N)c(N)n(C)c(=O)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C22 compound treatment 0.0 0.129 0.18 -0.329 -0.258 -0.51 -0.377 -0.326938564026647 -0.629692560988685 -0.5509 -0.6637 1283442 TimTec1_001474 O=C(Nc1ccc2OCOc2c1)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C23 mock treatment 0.109 0.238 0.34 0.043 0.114 0.23 -0.165 -0.114938564026647 -0.221374798515364 0.1983 0.4278 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 C24 mock treatment -1.984 -1.85 -2.64 0.292 0.363 0.72 0.125 0.175061435973353 0.337173084113236 -0.9134 -0.3317 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D01 compound treatment -0.079 0.0504 0.07 -0.53 -0.459 -0.91 -0.194 -0.143938564026647 -0.277229586778224 -0.6414 -0.6755 3083186 TimTec1_001475 O=C1CC(Sc2ccc3ccccc3c2)C4COC1O4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D02 compound treatment -1.712 -1.58 -2.25 -0.859 -0.788 -1.56 -1.324 -1.27393856402665 -2.45364030184829 -3.6135 -0.9834 1501922 TimTec1_001476 OC(=O)c1nn(Cc2ccccc2)nc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D03 compound treatment 0.153 0.282 0.4 0.095 0.166 0.33 0.302 0.352061435973353 0.67807989523483 0.813 0.9522 3210532 TimTec1_001477 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D04 compound treatment 0.386 0.515 0.73 -0.167 -0.0956 -0.19 0.143 0.193061435973353 0.371841573379839 0.5288 0.6272 3083190 TimTec1_001478 O=C(N[C@@H]1COC(=O)C1)OCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D05 compound treatment -0.364 -0.235 -0.33 0.013 0.0844 0.17 0.033 0.083061435973353 0.159978583417267 -0.0039 -0.0097 3210533 TimTec1_001479 O=C(C(=C1Nc2ccccc2N1)C#N)c3cc[n+](Cc4ccccc4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D06 compound treatment -0.46 -0.331 -0.47 0.362 0.433 0.86 -0.172 -0.121938564026647 -0.234856988785709 0.0871 0.0868 3083192 TimTec1_001480 OC(=O)c1ccc(/C=C/C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D07 compound treatment -0.062 0.0674 0.1 -0.171 -0.0996 -0.2 -0.373 -0.322938564026647 -0.621988452262774 -0.4173 -0.6329 1703831 TimTec1_001481 Brc1ccc(NC(=O)C2(CCN3CC2)c4ccccc4C3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D08 compound treatment -0.381 -0.252 -0.36 -0.082 -0.0106 -0.02 0.169 0.219061435973353 0.421918280098265 0.025 0.0452 1474907 TimTec1_001482 OC1CC(c2ccccc2Cl)C3(C(C1)c4ccccc4Cl)C(=O)NC(=O)NC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D09 compound treatment -0.015 0.114 0.16 0.149 0.22 0.44 0.114 0.164061435973353 0.315986785116979 0.5276 0.939 3210647 TimTec1_001483 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc4ccccc4)nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D10 compound treatment -0.017 0.112 0.16 0.595 0.666 1.32 0.151 0.201061435973353 0.387249790831663 1.0756 0.7789 3083196 TimTec1_001484 Cc1ccc(cc1)S(=O)(=O)c2ccc(/C=C/c3ccco3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D11 compound treatment -0.22 -0.0906 -0.13 -0.262 -0.191 -0.38 -0.486 -0.435938564026647 -0.83962952376978 -0.7764 -0.8356 1185515 TimTec1_001485 O=C(NCCc1nc2ccccc2[nH]1)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D12 compound treatment -0.051 0.0784 0.11 -1.68 -1.61 -3.18 -0.915 -0.864938564026647 -1.66589518462381 -2.7312 -0.7611 3083198 TimTec1_001486 COc1ccc(/C=C/2\N=C(N(C2=O)c3nc4ccc(cc4s3)C(=O)O)c5ccccc5)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D13 compound treatment -0.206 -0.0766 -0.11 0.228 0.299 0.59 0.086 0.136061435973353 0.262058024035597 0.4298 0.6553 1329192 TimTec1_001487 Cc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D14 compound treatment -0.459 -0.33 -0.47 0.103 0.174 0.34 0.11 0.160061435973353 0.308282676391067 0.1063 0.1615 3210648 TimTec1_001488 CC(=O)Nc1ccc(cc1C(=O)O)S(=O)(=O)NN2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D15 compound treatment -0.375 -0.246 -0.35 -0.507 -0.436 -0.86 -0.274 -0.223938564026647 -0.431311761296458 -0.9472 -0.9254 3083200 TimTec1_001489 Cc1nnc(C)n1/N=C/c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D16 compound treatment -0.418 -0.289 -0.41 -0.171 -0.0996 -0.2 0.018 0.068061435973353 0.131088175695098 -0.2747 -0.5802 1026134 TimTec1_001490 O=C(c1cc2ccccc2o1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D17 compound treatment -0.941 -0.812 -1.15 -1.153 -1.08 -2.14 -0.14 -0.089938564026647 -0.173224118978415 -1.9992 -0.8215 1337169 TimTec1_001491 CCCC(=O)c1ccc(cc1)C(C)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D18 compound treatment -0.012 0.117 0.17 0.069 0.14 0.28 0.169 0.219061435973353 0.421918280098265 0.5001 0.9404 1082112 TimTec1_001492 COc1cccc(NC(=S)Nc2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D19 compound treatment 0.0 0.129 0.18 -0.072 -5.62E-4 0.0 0.307 0.357061435973353 0.68771003114222 0.5026 0.7061 1198422 TimTec1_001493 NC(=O)CCNC(=O)C(c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D20 compound treatment -0.271 -0.142 -0.2 -0.108 -0.0366 -0.07 -0.219 -0.168938564026647 -0.325380266315172 -0.3458 -0.888 1112637 TimTec1_001494 CCC(C)NC(=O)c1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D21 compound treatment 0.233 0.362 0.52 0.315 0.386 0.76 0.299 0.349061435973353 0.672301813690397 1.1262 0.9878 3210649 TimTec1_001495 Fc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2Cc4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D22 compound treatment -0.683 -0.554 -0.79 -0.733 -0.662 -1.31 -1.177 -1.12693856402665 -2.17051430617103 -2.4617 -0.928 1228411 TimTec1_001496 OC1(C2C(=O)NC(=O)NC2=O)C(=O)c3ccccc3C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D23 mock treatment -0.018 0.111 0.16 -0.367 -0.296 -0.58 -0.169 -0.118938564026647 -0.229078907241275 -0.3777 -0.5842 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 D24 mock treatment -1.762 -1.63 -2.32 -0.181 -0.11 -0.22 0.028 0.078061435973353 0.150348447509877 -1.3782 -0.59 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E01 compound treatment 4.046 4.18 2.46 1.429 1.5 2.46 0.881 0.931061435973353 1.79324963331055 3.876 0.9903 1636299 TimTec1_001497 COc1ccc2C=CC3C=CC(O)C4Oc1c2C43CCN(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E02 compound treatment 1.182 1.31 1.72 -0.091 -0.0196 -0.04 0.178 0.228061435973353 0.439252524731567 1.2216 0.6898 3083205 TimTec1_001498 CC(C)(C)C1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E03 compound treatment 0.051 0.18 0.26 0.028 0.0994 0.2 0.135 0.185061435973353 0.356433355928016 0.4672 0.9713 3210650 TimTec1_001499 Cn1c(=O)c(C2=NNC3=NNC(C23)c4ccccc4)c(O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E04 compound treatment -0.472 -0.343 -0.49 -0.25 -0.179 -0.35 -0.287 -0.236938564026647 -0.456350114655671 -0.7483 -0.9912 3083208 TimTec1_001500 O=C(N1CCCCC1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E05 compound treatment -0.36 -0.231 -0.33 0.197 0.268 0.53 -0.828 -0.777938564026647 -1.49833081983523 -0.7483 -0.4611 1501857 TimTec1_001501 COc1ccc(NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccc(OC)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E06 compound treatment -0.385 -0.256 -0.36 0.24 0.311 0.61 0.0 0.050061435973353 0.096419686428495 0.2009 0.2787 1493097 TimTec1_001502 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cnnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E07 compound treatment 0.838 0.967 1.38 1.122 1.19 2.23 0.044 0.094061435973353 0.181164882413524 2.1841 0.8326 3210651 TimTec1_001503 Oc1ccc(/C=N/c2ccc(cc2)N3CCOCC3)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E08 compound treatment -0.357 -0.228 -0.32 -0.365 -0.294 -0.58 -0.025 0.025061435973353 0.0482690068915467 -0.4936 -0.7416 1097150 TimTec1_001504 COc1ccc(NC(=O)c2sc(SC)nc2N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E09 compound treatment -0.383 -0.254 -0.36 0.13 0.201 0.4 0.114 0.164061435973353 0.315986785116979 0.2039 0.3273 3210652 TimTec1_001505 O=C/1Nc2ccccc2\C1=N/N3C(=O)C4C=CC=CC4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E10 compound treatment -0.77 -0.641 -0.91 -0.941 -0.87 -1.72 -1.141 -1.09093856402665 -2.10117732763783 -2.7302 -0.9539 1413901 TimTec1_001506 O=C(N(c1ccccc1)c2ccccc2)c3c[nH]c4ccccc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E11 compound treatment 0.129 0.258 0.37 -1.217 -1.15 -2.26 -0.98 -0.929938564026647 -1.79108695141988 -2.1279 -0.7316 3210653 TimTec1_001507 CC(C)(C)C(=O)CSc1ncnc2[nH]cnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E12 compound treatment 0.167 0.296 0.42 -1.308 -1.24 -2.44 -1.536 -1.48593856402665 -2.86195806432161 -2.8187 -0.7446 1279481 TimTec1_001508 CCOC(=O)CC(N)c1ccccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E13 compound treatment -0.231 -0.102 -0.14 0.12 0.191 0.38 -0.217 -0.166938564026647 -0.321528211952216 -0.0508 -0.0983 3210654 TimTec1_001509 CCc1sc2sncc2c1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E14 compound treatment 0.58 0.709 1.01 0.873 0.944 1.86 0.466 0.516061435973353 0.993948352997211 2.2328 0.9536 1490642 TimTec1_001510 Cc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E15 compound treatment -0.086 0.0434 0.06 -0.329 -0.258 -0.51 -0.526 -0.475938564026647 -0.916670611028897 -0.7872 -0.7497 3082121 TimTec1_001511 CCSc1cc(CC)sc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E16 compound treatment -0.451 -0.322 -0.46 -0.146 -0.0746 -0.15 0.084 0.134061435973353 0.258205969672641 -0.1999 -0.3666 3082123 TimTec1_001512 CN(C(=O)CSC(=S)N1CCCC1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E17 compound treatment -0.014 0.115 0.16 0.375 0.446 0.88 0.412 0.462061435973353 0.889942885197403 1.1175 0.8846 3210655 TimTec1_001513 CCOC(=O)/C=C(/C)\Nc1nonc1NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E18 compound treatment -0.656 -0.527 -0.75 -0.191 -0.12 -0.24 0.009 0.059061435973353 0.113753931061796 -0.5029 -0.634 3082125 TimTec1_001514 Nc1nnc(o1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E19 compound treatment 0.412 0.541 0.77 0.694 0.765 1.51 0.456 0.506061435973353 0.974688081182432 1.8797 0.9609 1386928 TimTec1_001515 Cc1ccc(C2C(Cc3ccccc3)N4C=Cc5ccccc5C4C2(C#N)C(=O)N)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E20 compound treatment -0.3 -0.171 -0.24 -0.24 -0.169 -0.33 0.012 0.062061435973353 0.11953201260623 -0.2632 -0.6137 3082127 TimTec1_001516 CCOC(=O)Cc1ccccc1C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E21 compound treatment 0.013 0.142 0.2 0.472 0.543 1.07 0.812 0.862061435973353 1.66035375778858 1.695 0.8529 3210656 TimTec1_001517 O=C/1/C(=C/C2CCCO2)/CC\C1=C/C3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E22 compound treatment -0.398 -0.269 -0.38 -0.027 0.0444 0.09 -0.741 -0.690938564026647 -1.33076645504665 -0.9381 -0.6763 1433367 TimTec1_001518 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(C)ccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E23 mock treatment -0.765 -0.636 -0.9 -0.073 -0.00156 0.0 0.286 0.336061435973353 0.647263460331183 -0.1498 -0.1348 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 E24 mock treatment -0.795 -0.666 -0.95 0.119 0.19 0.38 0.025 0.075061435973353 0.144570365965443 -0.2458 -0.239 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F01 compound treatment -0.186 -0.0566 -0.08 -0.356 -0.285 -0.56 -0.318 -0.267938564026647 -0.516056957281487 -0.6688 -0.8718 1232600 TimTec1_001519 COCC(=O)OCC1CCCN2CCCCC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F02 compound treatment -0.795 -0.666 -0.95 -0.266 -0.195 -0.38 -0.091 -0.040938564026647 -0.0788487870859968 -0.8137 -0.7943 3082129 TimTec1_001520 CC(=O)OCc1cnn(n1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F03 compound treatment -0.067 0.0624 0.09 -0.118 -0.0466 -0.09 0.179 0.229061435973353 0.441178551913045 0.2529 0.5505 3210657 TimTec1_001521 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)NC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F04 compound treatment -0.358 -0.229 -0.33 0.051 0.122 0.24 -0.086 -0.035938564026647 -0.0692186511786071 -0.088 -0.2142 1023719 TimTec1_001522 Clc1ncnc2n(cnc12)C3CCCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F05 compound treatment -0.305 -0.176 -0.25 0.035 0.106 0.21 0.404 0.454061435973353 0.87453466774558 0.4821 0.5165 3210658 TimTec1_001523 CCc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F06 compound treatment 0.139 0.268 0.38 0.027 0.0984 0.19 0.033 0.083061435973353 0.159978583417267 0.4249 0.9294 3082133 TimTec1_001524 Brc1ccc(/C=C/C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F07 compound treatment -0.892 -0.763 -1.08 -0.122 -0.0506 -0.1 -0.44 -0.389938564026647 -0.751032273421795 -1.1172 -0.8446 3082134 TimTec1_001525 Nc1nnc(CCN2C(=O)S/C(=C/c3ccccc3)/C2=O)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F08 compound treatment 0.079 0.208 0.3 -0.021 0.0504 0.1 0.413 0.463061435973353 0.891868912378881 0.7435 0.7867 1022021 TimTec1_001526 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(O)ncnc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F09 compound treatment -1.154 -1.02 -1.46 -0.855 -0.784 -1.55 -0.153 -0.102938564026647 -0.198262472337629 -1.8488 -0.8662 3210659 TimTec1_001527 OC(=O)COc1ccccc1/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F10 compound treatment -0.692 -0.563 -0.8 -0.452 -0.381 -0.75 -0.323 -0.272938564026647 -0.525687093188877 -1.1992 -0.9854 3210660 TimTec1_001528 CN(C)c1ccc(cc1)C2=NN(C(C2)NC(Cc3c[nH]c4ccccc34)C(=O)O)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F11 compound treatment -0.023 0.106 0.15 -0.296 -0.225 -0.44 -1.137 -1.08693856402665 -2.09347321891191 -1.3773 -0.642 1300950 TimTec1_001529 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F12 compound treatment 0.269 0.398 0.57 -0.383 -0.312 -0.62 -0.662 -0.611938564026647 -1.1786103077099 -0.7086 -0.4903 1127108 TimTec1_001530 CCC(Sc1nc2cccc(CC)c2c(=O)n1c3ccc(OC)cc3)C(=O)NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F13 compound treatment 0.032 0.161 0.23 -0.035 0.0364 0.07 0.108 0.158061435973353 0.304430622028112 0.3498 0.9016 3082764 TimTec1_001531 Clc1nc(C#N)c(C#N)nc1C(=C2Nc3ccccc3N2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F14 compound treatment 0.13 0.259 0.37 0.508 0.579 1.14 0.225 0.275061435973353 0.52977580226103 1.1794 0.8978 3210661 TimTec1_001532 CC(C)C(C(=O)NN1C(=O)/C(=C/c2ccccn2)/N=C1c3ccccc3)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F15 compound treatment -0.108 0.0214 0.03 0.222 0.293 0.58 0.569 0.619061435973353 1.19232915268944 1.0405 0.7847 3082765 TimTec1_001533 C/C=C(/C)\C(=O)OC1CC(O)(C(C)C)C2C(CC(=CCC12C)C)OC(=O)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F16 compound treatment -0.358 -0.229 -0.33 0.034 0.105 0.21 -0.082 -0.031938564026647 -0.0615145424526954 -0.103 -0.2634 1203282 TimTec1_001534 CC(O)CNC(=O)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F17 compound treatment -0.817 -0.688 -0.98 -0.161 -0.0896 -0.18 0.0 0.050061435973353 0.096419686428495 -0.6109 -0.612 1114140 TimTec1_001535 COc1ccc(CCCC(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F18 compound treatment -0.222 -0.0926 -0.13 0.113 0.184 0.36 0.023 0.073061435973353 0.140718311602487 0.2155 0.523 1082103 TimTec1_001536 Fc1ccc(NC(=S)Nc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F19 compound treatment -0.145 -0.0156 -0.02 0.292 0.363 0.72 0.043 0.093061435973353 0.179238855232046 0.505 0.6824 1119735 TimTec1_001537 COc1ccc2[nH]cc(CCNC(=O)c3ccco3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F20 compound treatment -0.149 -0.0196 -0.03 0.041 0.112 0.22 0.185 0.235061435973353 0.452734715001912 0.3735 0.7396 3210662 TimTec1_001538 CCOC(=O)C1=C(Nc2ccccc2)OCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F21 compound treatment -0.548 -0.419 -0.6 -0.4 -0.329 -0.65 -0.338 -0.287938564026647 -0.554577500911046 -1.0383 -0.9979 3082768 TimTec1_001539 CC(C)NCC(O)COc1ccc(/C=C/c2cc(C)no2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F22 compound treatment -0.302 -0.173 -0.25 -0.277 -0.206 -0.41 -0.367 -0.316938564026647 -0.610432289173906 -0.7284 -0.9423 3210663 TimTec1_001540 O=C1C(/C(=N/c2ccccc2)/c3ccccc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F23 mock treatment -0.174 -0.0446 -0.06 0.079 0.15 0.3 0.151 0.201061435973353 0.387249790831663 0.3585 0.7284 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 F24 mock treatment 0.221 0.35 0.5 0.032 0.103 0.2 0.042 0.092061435973353 0.177312828050568 0.5079 0.896 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G01 compound treatment -1.125 -0.996 -1.42 0.182 0.253 0.5 -0.403 -0.352938564026647 -0.679769267707112 -0.9208 -0.5587 3210787 TimTec1_001541 CC1=C(NC(=S)NC(=O)c2ccccc2)NCc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G02 compound treatment -0.2 -0.0706 -0.1 0.194 0.265 0.52 0.063 0.113061435973353 0.217759398861605 0.3704 0.6426 3082771 TimTec1_001542 N#C/C(=C\c1ccccc1/C=C(\C#N)/c2ccc3OCOc3c2)/c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G03 compound treatment -1.403 -1.27 -1.81 -1.063 -0.992 -1.96 -0.835 -0.784938564026647 -1.51181301010558 -3.0487 -0.9945 3210788 TimTec1_001543 OC(=O)CC1N=Cc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G04 compound treatment 0.433 0.562 0.8 0.25 0.321 0.63 0.031 0.081061435973353 0.156126529054311 0.9182 0.8891 3210789 TimTec1_001544 C1Oc2ccc(/C=C/C=N/c3ccc(cc3)N4CCOCC4)cc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G05 compound treatment -0.339 -0.21 -0.3 -0.051 0.0204 0.04 0.07 0.120061435973353 0.23124158913195 -0.0152 -0.0402 1707466 TimTec1_001545 CN1CCN(CC(O)COc2ccccc2OCc3nc(C)no3)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G06 compound treatment -0.564 -0.435 -0.62 -0.07 0.00144 0.0 -0.061 -0.010938564026647 -0.0210679716416588 -0.3673 -0.594 3210790 TimTec1_001546 CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G07 compound treatment 1.697 1.83 1.95 2.31 2.38 2.91 1.464 1.51406143597335 2.38845633415052 4.1846 0.9872 1121781 TimTec1_001547 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3c(C)c(C)cc(C)c3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G08 compound treatment 2.135 2.26 2.1 0.607 0.678 1.34 0.345 0.395061435973353 0.760899064038381 2.4232 0.9314 1240166 TimTec1_001548 Nc1[nH]c(=S)sc1C(=O)Nc2nccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G09 compound treatment -0.278 -0.149 -0.21 -0.129 -0.0576 -0.11 -0.312 -0.261938564026647 -0.50450079419262 -0.4789 -0.8572 3082775 TimTec1_001549 Brc1ccc(cc1)C2OCC(=S)N2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G10 compound treatment -0.162 -0.0326 -0.05 -0.361 -0.29 -0.57 -0.7 -0.649938564026647 -1.25179934060606 -1.0796 -0.784 1301555 TimTec1_001550 CC(C)N(CCC#N)C(=O)c1c[nH]c2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G11 compound treatment -0.543 -0.414 -0.59 -0.775 -0.704 -1.39 -1.317 -1.26693856402665 -2.44015811157794 -2.5504 -0.889 1162047 TimTec1_001551 OC(=O)c1ccccc1C(=O)Nc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G12 compound treatment 0.083 0.212 0.3 -0.353 -0.282 -0.56 -0.397 -0.346938564026647 -0.668213104618244 -0.5324 -0.5786 1376806 TimTec1_001552 Cc1ccc(C)c(c1)C2C3CCCC=C3C(=C(N)C2(C#N)C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G13 compound treatment 0.825 0.954 1.36 1.161 1.23 2.26 0.825 0.875061435973353 1.68539211114779 3.061 0.9785 1912519 TimTec1_001553 CN(C)Cc1cc(/C=N/C2CCCCC2)c(S)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G14 compound treatment 0.438 0.567 0.81 0.603 0.674 1.33 0.606 0.656061435973353 1.26359215840412 1.9642 0.9795 1339047 TimTec1_001554 CCc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G15 compound treatment -0.014 0.115 0.16 0.355 0.426 0.84 0.0 0.050061435973353 0.096419686428495 0.6365 0.7374 3082839 TimTec1_001555 CCc1cc2cc(sc2s1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G16 compound treatment -0.343 -0.214 -0.3 0.0 0.0714 0.14 -0.222 -0.171938564026647 -0.331158347859606 -0.2851 -0.6054 3210791 TimTec1_001556 Nc1nonc1OCCNc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G17 compound treatment -0.226 -0.0966 -0.14 -0.033 0.0384 0.08 -0.074 -0.023938564026647 -0.0461063250008719 -0.0621 -0.3797 1225048 TimTec1_001557 CC(=O)Nc1nonc1NC2=CC(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G18 compound treatment 0.011 0.14 0.2 0.263 0.334 0.66 -0.062 -0.011938564026647 -0.0229939988231368 0.4832 0.7001 1004952 TimTec1_001558 OC(c1nc2ccccc2[nH]1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G19 compound treatment 0.053 0.182 0.26 0.309 0.38 0.75 0.134 0.184061435973353 0.354507328746538 0.7881 0.9057 1382010 TimTec1_001559 CCOc1ccc(OCC)c(CC2OC(=NC2=O)c3ccccc3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G20 compound treatment 0.42 0.549 0.78 0.194 0.265 0.52 0.213 0.263061435973353 0.506663476083294 1.0461 0.9791 3082843 TimTec1_001560 COc1ccc(/C=C(/C#N)\c2ccc(Cl)cc2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G21 compound treatment 0.141 0.27 0.38 0.578 0.649 1.28 0.272 0.322061435973353 0.620299079790492 1.3204 0.895 1449158 TimTec1_001561 Brc1cccc(c1)C(CC(=O)c2ccccc2)C(C#N)C(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G22 compound treatment -0.561 -0.432 -0.61 -0.417 -0.346 -0.68 -0.247 -0.196938564026647 -0.379309027396554 -0.9672 -0.9741 1173213 TimTec1_001562 Clc1ccc(Cl)c(OCC(=O)NCc2ccccc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G23 mock treatment -0.159 -0.0296 -0.04 0.11 0.181 0.36 0.05 0.100061435973353 0.192721045502392 0.2938 0.7184 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 G24 mock treatment -0.597 -0.468 -0.66 0.169 0.24 0.47 0.176 0.226061435973353 0.435400470368611 0.1416 0.153 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H01 compound treatment -0.34 -0.211 -0.3 -0.221 -0.15 -0.3 0.098 0.148061435973353 0.285170350213332 -0.1787 -0.3517 3210792 TimTec1_001563 CN12CCCCC2C(COc3ccccc3Br)CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H02 compound treatment -1.333 -1.2 -1.71 -1.649 -1.58 -3.11 -0.985 -0.934938564026647 -1.80071708732727 -3.826 -0.9603 3082846 TimTec1_001564 Cc1ccc(cc1)C2=NNC3(CCOC(C)(C)C3)S2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H03 compound treatment -0.163 -0.0336 -0.05 -0.246 -0.175 -0.34 -0.155 -0.104938564026647 -0.202114526700584 -0.3433 -0.853 3210793 TimTec1_001565 Clc1ccccc1/C=N/C2CCS(=O)(=O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H04 compound treatment -0.226 -0.0966 -0.14 -0.192 -0.121 -0.24 0.105 0.155061435973353 0.298652540483678 -0.0443 -0.1092 1272351 TimTec1_001566 CC(C)(C)c1ccc2OCCOCCOCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H05 compound treatment -0.492 -0.363 -0.52 -0.326 -0.255 -0.5 -0.343 -0.292938564026647 -0.564207636818436 -0.9136 -0.9987 3210794 TimTec1_001567 c1nn(c2ccccc2)c3ncn4nnnc4c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H06 compound treatment -0.103 0.0264 0.04 -0.04 0.0314 0.06 -0.313 -0.262938564026647 -0.506426821374098 -0.2349 -0.4591 3082850 TimTec1_001568 COc1cccc(/C=C/C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H07 compound treatment -0.895 -0.766 -1.09 -0.603 -0.532 -1.05 -0.261 -0.210938564026647 -0.406273407937245 -1.469 -0.9382 3210795 TimTec1_001569 COc1ccc(cc1OC)C2=N/C(=C/c3c(C)nn(c3N4CCCCC4)c5ccccc5)/C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H08 compound treatment -0.081 0.0484 0.07 0.177 0.248 0.49 0.198 0.248061435973353 0.477773068361126 0.5988 0.8701 3210796 TimTec1_001570 Cn1c(=O)c(C/2=NNC(=O)\C2=C/c3c[nH]c4ccccc34)c(O)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H09 compound treatment 0.246 0.375 0.53 -0.273 -0.202 -0.4 -0.26 -0.209938564026647 -0.404347380755767 -0.1551 -0.1991 1574162 TimTec1_001571 CCc1cc(c2n[nH]c(C)c2c3nc4ccccc4n3C)c(O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H10 compound treatment -0.185 -0.0556 -0.08 -0.481 -0.41 -0.81 0.068 0.118061435973353 0.227389534768994 -0.3812 -0.4518 1654421 TimTec1_001572 CS(=O)(=O)N(Cc1ccc(cc1)C(=O)O)c2cccc(Cl)c2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H11 compound treatment -0.616 -0.487 -0.69 0.109 0.18 0.36 -0.486 -0.435938564026647 -0.83962952376978 -0.6785 -0.5927 1562719 TimTec1_001573 O=C(CCN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H12 compound treatment 0.0 0.129 0.18 0.294 0.365 0.72 0.188 0.238061435973353 0.458512796546346 0.7875 0.9006 3210797 TimTec1_001574 Clc1ccc(cc1)N(C(=O)Nc2ccccc2Br)C3=NCCS3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H13 compound treatment -0.38 -0.251 -0.36 -0.162 -0.0906 -0.18 -0.048 0.002061435973353 0.00397038171755429 -0.3066 -0.7692 1779116 TimTec1_001575 CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H14 compound treatment -0.326 -0.197 -0.28 -0.608 -0.537 -1.06 -0.123 -0.072938564026647 -0.140481656893291 -0.8542 -0.7732 3210798 TimTec1_001576 CC(=O)OC1C(OC2C(OC(=O)C)C(=O)OC12)n3ccc(=O)[nH]c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H15 compound treatment -0.396 -0.267 -0.38 0.3 0.371 0.73 0.138 0.188061435973353 0.36221143747245 0.4137 0.4589 3082856 TimTec1_001577 CC(C)C1C(O)C/C(=C/CC/C(=C/C1O)/C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H16 compound treatment 0.019 0.148 0.21 -0.418 -0.347 -0.68 0.127 0.177061435973353 0.341025138476192 -0.0764 -0.0963 1079739 TimTec1_001578 CS(=O)(=O)c1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H17 compound treatment -0.436 -0.307 -0.44 -0.2 -0.129 -0.25 0.19 0.240061435973353 0.462364850909302 -0.1313 -0.1919 1036359 TimTec1_001579 Cc1ccc(CCCC(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H18 compound treatment -0.141 -0.0116 -0.02 0.364 0.435 0.86 -0.216 -0.165938564026647 -0.319602184770738 0.3024 0.3296 1014539 TimTec1_001580 S=C(Nc1ccccc1)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H19 compound treatment 1.137 1.27 1.69 0.333 0.404 0.8 0.85 0.900061435973353 1.73354279068474 2.4375 0.9562 1593359 TimTec1_001581 Cc1ccc(cc1)c2nc3sc4C(=O)CC(C)(C)Cc4n3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H20 compound treatment -0.839 -0.71 -1.01 -0.45 -0.379 -0.75 -0.328 -0.277938564026647 -0.535317229096267 -1.3231 -0.9693 1240459 TimTec1_001582 CCOC(=O)C1C(=O)CN(C1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H21 compound treatment -0.172 -0.0426 -0.06 0.337 0.408 0.81 0.257 0.307061435973353 0.591408672068323 0.7721 0.7706 3082920 TimTec1_001583 CC12CCCCC2N(CCC(=O)N)c3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H22 compound treatment -0.294 -0.165 -0.23 0.063 0.134 0.27 -0.333 -0.282938564026647 -0.544947365003656 -0.2965 -0.4563 1468638 TimTec1_001584 O=C1c2ccccc2C(=O)C1(Nc3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H23 mock treatment -0.108 0.0214 0.03 -0.149 -0.0776 -0.15 0.026 0.076061435973353 0.146496393146921 0.0137 0.0641 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 H24 mock treatment 0.0 0.129 0.18 0.106 0.177 0.35 0.016 0.066061435973353 0.127236121332142 0.382 0.9189 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I01 compound treatment -0.537 -0.408 -0.58 0.28 0.351 0.69 0.368 0.418061435973353 0.805197689212374 0.5309 0.4386 1500758 TimTec1_001585 CCC(=O)NC1CC2C(OC1=O)c3cccc(C)c3NC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I02 compound treatment 0.882 1.01 1.44 0.063 0.134 0.27 0.178 0.228061435973353 0.439252524731567 1.2371 0.8102 3082924 TimTec1_001586 CC1CCC/C(=C\c2ccc3OCOc3c2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I03 compound treatment -0.59 -0.461 -0.65 0.147 0.218 0.43 -0.256 -0.205938564026647 -0.396643272029856 -0.3581 -0.4075 3210799 TimTec1_001587 COC(=O)C1(C)NC2(CCCCC2)Cc3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I04 compound treatment 0.179 0.308 0.44 -0.071 4.38E-4 0.0 0.337 0.387061435973353 0.745490846586558 0.6841 0.7909 1512799 TimTec1_001588 CC(C)(C)C1CCc2c(C1)sc3NC(NC(=O)c23)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I05 compound treatment -0.541 -0.412 -0.59 -0.323 -0.252 -0.5 -0.398 -0.347938564026647 -0.670139131799722 -1.0115 -0.9927 1550718 TimTec1_001589 Cc1noc(COc2ccccc2OCC(=O)N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I06 compound treatment -0.645 -0.516 -0.73 -0.319 -0.248 -0.49 0.159 0.209061435973353 0.402658008283486 -0.473 -0.4882 3082927 TimTec1_001590 Cc1[nH]c(=O)n(c(=O)c1C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I07 compound treatment 0.046 0.175 0.25 0.082 0.153 0.3 0.07 0.120061435973353 0.23124158913195 0.4524 0.9933 1716137 TimTec1_001591 CS(=O)(=O)Nc1cc(NS(=O)(=O)C)cc(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I08 compound treatment -0.026 0.103 0.15 -0.923 -0.852 -1.68 -0.539 -0.488938564026647 -0.94170896438811 -1.4296 -0.7397 1611777 TimTec1_001592 COc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I09 compound treatment 0.911 1.04 1.48 -0.019 0.0524 0.1 -0.174 -0.123938564026647 -0.238709043148665 0.776 0.5167 3210800 TimTec1_001593 Cc1ccc(cc1)C(=O)/N=c\2/cccc[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I10 compound treatment -0.455 -0.326 -0.46 -0.771 -0.7 -1.38 -1.038 -0.987938564026647 -1.9027965279456 -2.1633 -0.9027 1119826 TimTec1_001594 O=C(N1CCCCC1)c2c[nH]c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I11 compound treatment 0.078 0.207 0.29 -0.556 -0.485 -0.96 -0.418 -0.367938564026647 -0.70865967542928 -0.7913 -0.6451 1603574 TimTec1_001595 Cc1sc(N)c(C(=O)N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I12 compound treatment -0.04 0.0894 0.13 0.418 0.489 0.97 0.258 0.308061435973353 0.593334699249801 0.9739 0.8535 1363974 TimTec1_001596 COC(=O)C1(C#N)C(C(N2C1C=Cc3ccccc23)C(=O)c4ccccc4)c5ccc(C)cc5C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I13 compound treatment -0.195 -0.0656 -0.09 0.196 0.267 0.53 0.162 0.212061435973353 0.40843608982792 0.4868 0.7223 1916807 TimTec1_001597 CCS(=O)(=O)c1ccsc1S(=O)(=O)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I14 compound treatment -0.015 0.114 0.16 0.111 0.182 0.36 0.027 0.077061435973353 0.148422420328399 0.3876 0.918 3082931 TimTec1_001598 NC1=C(C#N)C2=CCCCC2C(c3cccs3)C1(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I15 compound treatment -0.081 0.0484 0.07 0.393 0.464 0.92 0.063 0.113061435973353 0.217759398861605 0.6949 0.7353 1914041 TimTec1_001599 CSc1sc(SC)c(CO)c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I16 compound treatment -0.374 -0.245 -0.35 -0.16 -0.0886 -0.17 -0.179 -0.128938564026647 -0.248339179056055 -0.4451 -0.964 3082933 TimTec1_001600 CC(C)(Oc1ccccc1Cl)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I17 compound treatment -0.478 -0.349 -0.5 -0.623 -0.552 -1.09 0.039 0.089061435973353 0.171534746506134 -0.8159 -0.675 1737803 TimTec1_001601 CC(=O)Nc1nonc1Nc2cc(C)nn2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I18 compound treatment -0.274 -0.145 -0.21 -0.125 -0.0536 -0.11 0.102 0.152061435973353 0.292874458939244 -0.0107 -0.0286 3082935 TimTec1_001602 COc1ccccc1C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I19 compound treatment -0.452 -0.323 -0.46 -0.13 -0.0586 -0.12 0.0 0.050061435973353 0.096419686428495 -0.2759 -0.5715 1115158 TimTec1_001603 Cc1cc(C)c(C)c(C(=O)O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I20 compound treatment -0.39 -0.261 -0.37 0.322 0.393 0.78 0.28 0.330061435973353 0.635707297242316 0.6016 0.5623 3210920 TimTec1_001604 CCNC(=S)Nc1ccc(OC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I21 compound treatment 0.128 0.257 0.37 0.0 0.0714 0.14 -0.197 -0.146938564026647 -0.283007668322658 0.1293 0.2674 3082938 TimTec1_001605 Clc1ccc(/C(=C\c2ccc3OCOc3c2)/C#N)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I22 compound treatment -0.452 -0.323 -0.46 -0.61 -0.539 -1.06 -0.806 -0.755938564026647 -1.45595822184272 -1.7194 -0.9242 1045982 TimTec1_001606 NC(=O)NS(=O)(=O)c1ccc(N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I23 mock treatment -0.911 -0.782 -1.11 -0.407 -0.336 -0.66 0.104 0.154061435973353 0.2967265133022 -0.8528 -0.6425 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 I24 mock treatment -0.372 -0.243 -0.34 0.053 0.124 0.25 -0.425 -0.374938564026647 -0.722141865699626 -0.4742 -0.5665 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J01 compound treatment -0.508 -0.379 -0.54 -0.19 -0.119 -0.23 -0.09 -0.039938564026647 -0.0769227599045188 -0.4903 -0.8283 1479505 TimTec1_001607 OCCOc1c(Cl)cc(Cl)c2cccnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J02 compound treatment -0.355 -0.226 -0.32 -0.258 -0.187 -0.37 0.192 0.242061435973353 0.466216905272258 -0.1287 -0.1906 1009854 TimTec1_001608 COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J03 compound treatment -0.028 0.101 0.14 0.803 0.874 1.73 0.269 0.319061435973353 0.614520998246059 1.4349 0.7805 3082941 TimTec1_001609 Cc1sc(/N=C/c2ccc(Br)s2)c(C(=O)N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J04 compound treatment -0.393 -0.264 -0.37 -0.338 -0.267 -0.53 -0.092 -0.041938564026647 -0.0807748142674747 -0.5669 -0.8706 1144212 TimTec1_001610 OC(=O)c1ccc2OCCOCCOCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J05 compound treatment -0.586 -0.457 -0.65 -0.036 0.0354 0.07 -0.028 0.022061435973353 0.0424909253471129 -0.3099 -0.4736 3210921 TimTec1_001611 Cc1nnc(/N=C/2\S/C(=C/c3ccccc3F)/C(=O)N2CC=C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J06 compound treatment -1.404 -1.27 -1.81 -0.833 -0.762 -1.5 -0.758 -0.707938564026647 -1.36350891713178 -2.7017 -0.9929 1115371 TimTec1_001612 COc1ccc(cc1)C(N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J07 compound treatment -0.426 -0.297 -0.42 -0.128 -0.0566 -0.11 -0.128 -0.077938564026647 -0.15011179280068 -0.3946 -0.8554 3083016 TimTec1_001613 Brc1ccc(cc1)N2C(=O)C3ON(C(/C=C/c4ccccc4)C3C2=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J08 compound treatment -0.306 -0.177 -0.25 -0.109 -0.0376 -0.07 -0.087 -0.036938564026647 -0.071144678360085 -0.2289 -0.8436 1351925 TimTec1_001614 CCOC(=O)c1[nH]c(C(=O)O)c(C(=O)OCc2ccccc2)c1CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J09 compound treatment -0.574 -0.445 -0.63 -0.333 -0.262 -0.52 -0.159 -0.108938564026647 -0.209818635426496 -0.7843 -0.9305 3083019 TimTec1_001615 COc1cccc(/N=C/C2=C3N(CCC2)c4ccccc4C3(C)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J10 compound treatment -0.486 -0.357 -0.51 -0.892 -0.821 -1.62 -0.815 -0.764938564026647 -1.47329246647602 -2.0787 -0.9248 1286584 TimTec1_001616 O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C4CCCNC4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J11 compound treatment 0.412 0.541 0.77 -3.426 -3.35 -6.62 -5.397 -5.34693856402665 -10.2983490120079 -9.3255 -0.7601 1208195 TimTec1_001617 NNC(=O)c1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J12 compound treatment 0.132 0.261 0.37 -0.608 -0.537 -1.06 -2.188 -2.13793856402665 -4.11772778664522 -2.7745 -0.6501 3083022 TimTec1_001618 CC(N)(Cc1ccc2OCOc2c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J13 compound treatment -0.23 -0.101 -0.14 -0.103 -0.0316 -0.06 0.06 0.110061435973353 0.211981317317171 0.0038 0.0146 3210922 TimTec1_001619 CN(C)c1ccc(/C=C\2/C(=NN(C2=O)c3nnc(C)c(=O)[nH]3)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J14 compound treatment -0.16 -0.0306 -0.04 -0.125 -0.0536 -0.11 0.0 0.050061435973353 0.096419686428495 -0.0305 -0.2039 1414476 TimTec1_001620 Cc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J15 compound treatment 1.405 1.53 1.83 1.583 1.65 2.56 1.171 1.22106143597335 2.17393765201172 3.7877 0.9909 1395626 TimTec1_001621 CC1C(=O)CCC2C(C)(COc3ccc4ccc(=O)oc4c3)CCCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J16 compound treatment -0.352 -0.223 -0.32 -0.241 -0.17 -0.33 -0.268 -0.217938564026647 -0.419755598207591 -0.6184 -0.9922 1361860 TimTec1_001622 CC1(C)COC(OC1)c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J17 compound treatment -0.661 -0.532 -0.76 -0.193 -0.122 -0.24 -0.013 0.037061435973353 0.0713813330692819 -0.5337 -0.6703 3083025 TimTec1_001623 CC(=CC(=O)Nc1ccc(Cl)cc1)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J18 compound treatment -0.265 -0.136 -0.19 -0.533 -0.462 -0.91 -0.149 -0.098938564026647 -0.190558363611717 -0.7475 -0.7862 3210923 TimTec1_001624 COc1ccccc1C(=O)N(C(C)C)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J19 compound treatment -0.136 -0.00659 -0.01 0.213 0.284 0.56 0.25 0.300061435973353 0.577926481797978 0.6525 0.8096 1015339 TimTec1_001625 OC(c1ccccc1)C(O)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J20 compound treatment 0.097 0.226 0.32 0.241 0.312 0.62 -0.263 -0.212938564026647 -0.410125462300201 0.3052 0.3779 1921357 TimTec1_001626 Brc1ccccc1C2OCC3(CO2)COC(OC3)c4ccccc4Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J21 compound treatment -0.054 0.0754 0.11 0.281 0.352 0.7 0.011 0.061061435973353 0.117605985424752 0.5316 0.7447 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J22 compound treatment -0.311 -0.182 -0.26 -0.514 -0.443 -0.87 -0.697 -0.646938564026647 -1.24602125906162 -1.373 -0.8894 1236876 TimTec1_001628 OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J23 mock treatment -0.289 -0.16 -0.23 -0.076 -0.00456 -0.01 0.027 0.077061435973353 0.148422420328399 -0.0505 -0.1862 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 J24 mock treatment 0.091 0.22 0.31 -0.275 -0.204 -0.4 0.058 0.108061435973353 0.208129262954215 0.069 0.1254 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K01 compound treatment -0.417 -0.288 -0.41 -0.05 0.0214 0.04 -0.21 -0.159938564026647 -0.308046021681871 -0.3895 -0.7582 1634606 TimTec1_001629 CCn1c(=O)c2C(=Nc3cc(C)ccc3Oc2c4ccccc14)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K02 compound treatment 0.638 0.767 1.09 -0.06 0.0114 0.02 -0.114 -0.063938564026647 -0.123147412259989 0.5719 0.5207 3083031 TimTec1_001630 COc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K03 compound treatment -0.277 -0.148 -0.21 0.254 0.325 0.64 0.045 0.095061435973353 0.183090909595002 0.3556 0.5077 3210924 TimTec1_001631 COc1ccc(cc1)C2CC(=NC(=N)N2)c3cc(OC)cc(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K04 compound treatment -0.446 -0.317 -0.45 -0.149 -0.0776 -0.15 -0.031 0.019061435973353 0.0367128438026791 -0.3271 -0.6859 3210925 TimTec1_001632 OC(=O)c1cccc(c1)c2ccc(/C=N\n3cnnc3)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K05 compound treatment -0.095 0.0344 0.05 -0.186 -0.115 -0.23 -0.262 -0.211938564026647 -0.408199435118723 -0.338 -0.7204 1250333 TimTec1_001633 CCOC(=O)CSc1cc(Cl)c2cccc(C)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K06 compound treatment -0.614 -0.485 -0.69 -0.273 -0.202 -0.4 -0.185 -0.134938564026647 -0.259895342144922 -0.7776 -0.929 1029874 TimTec1_001634 CCOC(=O)C1(O)c2ccccc2-c3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K07 compound treatment 0.131 0.26 0.37 1.155 1.23 2.25 0.338 0.388061435973353 0.747416873768036 1.9469 0.8099 1426581 TimTec1_001635 CC(C)c1cc(NC(=O)c2ccccc2)c(C)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K08 compound treatment 0.571 0.7 1.0 0.066 0.137 0.27 0.917 0.967061435973353 1.86258661184376 1.807 0.8486 1278979 TimTec1_001636 CN(C)c1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K09 compound treatment 0.107 0.236 0.34 -0.175 -0.104 -0.2 0.025 0.075061435973353 0.144570365965443 0.1595 0.3804 3083036 TimTec1_001637 OC(=O)/C=C\C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K10 compound treatment -0.452 -0.323 -0.46 -0.453 -0.382 -0.75 -0.437 -0.386938564026647 -0.745254191877361 -1.1301 -0.9786 1138966 TimTec1_001638 O=C(NC1CCCCC1)c2c[nH]c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K11 compound treatment -0.03 0.0994 0.14 -0.392 -0.321 -0.63 -0.475 -0.424938564026647 -0.818443224773522 -0.7564 -0.7243 3210926 TimTec1_001639 CN(C1CCCCC1)C(=O)CCCOc2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K12 compound treatment 0.0 0.129 0.18 -0.73 -0.659 -1.3 -0.616 -0.565938564026647 -1.09001305736191 -1.2738 -0.7464 1449748 TimTec1_001640 Fc1ccc(cc1)C2C(C3C=Cc4ccccc4N3C2(C#N)C#N)C(=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K13 compound treatment -0.389 -0.26 -0.37 -0.095 -0.0236 -0.05 -0.156 -0.105938564026647 -0.204040553882062 -0.3578 -0.8432 3083110 TimTec1_001641 CS(=O)(=O)c1ccc(s1)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K14 compound treatment -0.309 -0.18 -0.26 -0.409 -0.338 -0.67 -0.147 -0.096938564026647 -0.186706309248761 -0.64 -0.8675 1649383 TimTec1_001642 Cc1ccc(s1)C2C3CCCC=C3C(C#N)C(N)C2(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K15 compound treatment 0.25 0.379 0.54 -0.156 -0.0846 -0.17 0.164 0.214061435973353 0.412288144190876 0.4531 0.648 3083113 TimTec1_001643 CC1(C)C(c2nc(no2)c3ccc(Br)cc3)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K16 compound treatment -0.903 -0.774 -1.1 -0.011 0.0604 0.12 -0.492 -0.441938564026647 -0.851185686858647 -1.0575 -0.7576 1072463 TimTec1_001644 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K17 compound treatment -0.333 -0.204 -0.29 -0.113 -0.0416 -0.08 -0.23 -0.179938564026647 -0.346566565311429 -0.4146 -0.9034 3083115 TimTec1_001645 COc1cc(/C=N/c2nonc2NC(=O)C)ccc1OC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K18 compound treatment -0.484 -0.355 -0.5 -0.351 -0.28 -0.55 -0.234 -0.183938564026647 -0.354270674037341 -0.8143 -0.9843 1266444 TimTec1_001646 OC(=O)c1ccc(COc2ccccc2)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K19 compound treatment -0.104 0.0254 0.04 0.034 0.105 0.21 -0.082 -0.031938564026647 -0.0615145424526954 0.1055 0.4796 1199220 TimTec1_001647 COc1ccc(cc1)C2C(C(=O)N)C2(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K20 compound treatment -0.313 -0.184 -0.26 0.23 0.301 0.6 0.479 0.529061435973353 1.01898670635642 0.7812 0.6464 3083117 TimTec1_001648 CCNC(=S)Nc1c(C)cccc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K21 compound treatment -0.097 0.0324 0.05 -0.348 -0.277 -0.55 -0.449 -0.398938564026647 -0.768366518055096 -0.7323 -0.7759 3210927 TimTec1_001649 O=C/1/C(=C/c2cccc3OCOc32)/CCC\C1=C/c4cccc5OCOc54 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K22 compound treatment 0.323 0.452 0.64 0.622 0.693 1.37 0.949 0.999061435973353 1.92421948165105 2.2728 0.9286 1204849 TimTec1_001650 Oc1ccc2c(=O)c(coc2c1CN3CCCCC3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K23 mock treatment 0.13 0.259 0.37 0.2 0.271 0.54 0.215 0.265061435973353 0.51051553044625 0.8171 0.9881 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 K24 mock treatment -0.845 -0.716 -1.02 0.218 0.289 0.57 0.028 0.078061435973353 0.150348447509877 -0.1706 -0.145 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L01 compound treatment -0.064 0.0654 0.09 0.156 0.227 0.45 -0.092 -0.041938564026647 -0.0807748142674747 0.2663 0.5719 1427041 TimTec1_001651 C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L02 compound treatment -0.804 -0.675 -0.96 -0.406 -0.335 -0.66 -0.339 -0.288938564026647 -0.556503528092524 -1.2564 -0.9734 1045556 TimTec1_001652 COc1ccc2[n+]([O-])cccc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L03 compound treatment -0.261 -0.132 -0.19 -0.176 -0.105 -0.21 -0.226 -0.175938564026647 -0.338862456585518 -0.4229 -0.9639 3210928 TimTec1_001653 O=C(N1CCN(CC1)C2=NC(=O)/C(=C/c3cccs3)/S2)c4cc5ccccc5oc4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L04 compound treatment -0.212 -0.0826 -0.12 0.2 0.271 0.54 -0.123 -0.072938564026647 -0.140481656893291 0.1605 0.2834 3083122 TimTec1_001654 COc1ccc(/C=C/C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L05 compound treatment 2.172 2.3 2.11 0.925 0.996 1.97 0.969 1.01906143597335 1.96274002528061 3.4857 0.9994 1566626 TimTec1_001655 Fc1ccc(cc1)C(CC(=O)c2cccs2)SCc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L06 compound treatment 0.55 0.679 0.97 -1.383 -1.31 -2.59 -0.487 -0.436938564026647 -0.841555550951258 -1.4233 -0.4926 1449697 TimTec1_001656 CC1Cc2cc(OCC(=O)O)ccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L07 compound treatment -0.204 -0.0746 -0.11 0.372 0.443 0.88 0.018 0.068061435973353 0.131088175695098 0.52 0.5831 3083124 TimTec1_001657 NC1=Cc2ccccc2CN1c3ccccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L08 compound treatment -0.437 -0.308 -0.44 -0.459 -0.388 -0.77 0.246 0.296061435973353 0.570222373072066 -0.3651 -0.3478 3210929 TimTec1_001658 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccccc3C(=O)O)C2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L09 compound treatment 0.281 0.41 0.58 -0.047 0.0244 0.05 -0.083 -0.032938564026647 -0.0634405696341733 0.3281 0.5571 1667441 TimTec1_001659 NC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L10 compound treatment -0.691 -0.562 -0.8 0.053 0.124 0.25 -0.214 -0.163938564026647 -0.315750130407782 -0.5014 -0.5615 1921446 TimTec1_001660 CC1=CC(=O)N(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L11 compound treatment -0.207 -0.0776 -0.11 -0.337 -0.266 -0.52 -0.135 -0.084938564026647 -0.163593983071026 -0.4609 -0.8226 1703270 TimTec1_001661 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1Cc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L12 compound treatment 0.164 0.293 0.42 -0.696 -0.625 -1.23 -0.413 -0.362938564026647 -0.699029539521891 -0.8747 -0.592 1414477 TimTec1_001662 CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc2c[nH]c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L13 compound treatment -0.717 -0.588 -0.84 0.026 0.0974 0.19 -0.147 -0.096938564026647 -0.186706309248761 -0.4791 -0.546 1436746 TimTec1_001663 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1CCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L14 compound treatment -0.381 -0.252 -0.36 -0.101 -0.0296 -0.06 -0.158 -0.107938564026647 -0.207892608245018 -0.3602 -0.8622 1148985 TimTec1_001664 CCCCC1(SCCS1)c2cc(O)cc(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L15 compound treatment 0.043 0.172 0.25 -0.217 -0.146 -0.29 0.182 0.232061435973353 0.446956633457479 0.2336 0.3992 3083129 TimTec1_001665 Nc1cccc(c1)C2=NCCN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L16 compound treatment -0.042 0.0874 0.12 -0.095 -0.0236 -0.05 -0.051 -9.38564026647E-4 -0.0018076998268795 0.0438 0.3304 3211052 TimTec1_001666 CNC(=S)Nc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L17 compound treatment -0.613 -0.484 -0.69 -0.453 -0.382 -0.75 -0.338 -0.287938564026647 -0.554577500911046 -1.1521 -0.9924 3083131 TimTec1_001667 Cc1nc2ccc(Cl)cc2n1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L18 compound treatment -0.422 -0.293 -0.42 -0.219 -0.148 -0.29 0.44 0.490061435973353 0.943871646278785 0.1365 0.1274 1188527 TimTec1_001668 CN1CCCc2cc(ccc12)c3ccnc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L19 compound treatment 0.27 0.399 0.57 -0.093 -0.0216 -0.04 0.519 0.569061435973353 1.09602779361554 0.9361 0.7579 3211053 TimTec1_001669 CC(C)/C=c\1/[nH]c(=O)/c(=C/c2ccccc2)/[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L20 compound treatment -0.303 -0.174 -0.25 -0.052 0.0194 0.04 -0.206 -0.155938564026647 -0.300341912955959 -0.2937 -0.752 3083134 TimTec1_001670 CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L21 compound treatment 0.309 0.438 0.62 0.41 0.481 0.95 0.265 0.315061435973353 0.606816889520147 1.2591 0.9771 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L22 compound treatment -0.308 -0.179 -0.25 -0.592 -0.521 -1.03 -0.465 -0.414938564026647 -0.799182952958743 -1.2014 -0.9057 1341798 TimTec1_001672 O=C(Nc1ccccc1)OCC2(C(=O)c3ccccc3C2=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L23 mock treatment 0.075 0.204 0.29 0.075 0.146 0.29 -0.09 -0.039938564026647 -0.0769227599045188 0.2903 0.696 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 L24 mock treatment -0.683 -0.554 -0.79 0.066 0.137 0.27 0.045 0.095061435973353 0.183090909595002 -0.192 -0.2253 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M01 compound treatment -0.162 -0.0326 -0.05 0.412 0.483 0.95 0.641 0.691061435973353 1.33100310975585 1.2928 0.789 3083213 TimTec1_001673 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M02 compound treatment -0.015 0.114 0.16 -0.202 -0.131 -0.26 0.139 0.189061435973353 0.364137464653928 0.1553 0.327 3211055 TimTec1_001674 Clc1ccc(cc1)C(CC(=O)c2ccc(Br)cc2)C3CCCCC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M03 compound treatment -1.076 -0.947 -1.35 -0.149 -0.0776 -0.15 -0.145 -0.094938564026647 -0.182854254885805 -0.971 -0.7104 3083215 TimTec1_001675 COc1ccc2CCC3[C@@](C)(CO)CCC[C@]3(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M04 compound treatment 0.777 0.906 1.29 0.525 0.596 1.18 0.413 0.463061435973353 0.891868912378881 1.9389 0.989 3211056 TimTec1_001676 COc1cc(/C=N\n2nnnc2N)cc(Cl)c1OCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M05 compound treatment -0.5 -0.371 -0.53 0.443 0.514 1.02 -0.423 -0.372938564026647 -0.71828981133667 -0.1325 -0.098 1459549 TimTec1_001677 C=CCCN1C[C@@H]2CC(C1)c3cccc(=O)n3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M06 compound treatment -0.658 -0.529 -0.75 0.022 0.0934 0.18 0.223 0.273061435973353 0.525923747898074 -0.0237 -0.0254 1091851 TimTec1_001678 CC1=C(SCCO1)C(=O)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M07 compound treatment -1.197 -1.07 -1.52 -0.93 -0.859 -1.7 -0.197 -0.146938564026647 -0.283007668322658 -2.0185 -0.8803 3083218 TimTec1_001679 OCn1nc(oc1=S)c2ccc(Cl)cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M08 compound treatment 1.25 1.38 1.75 0.702 0.773 1.53 0.308 0.358061435973353 0.689636058323698 2.2914 0.9452 3211058 TimTec1_001680 CN(C)c1ccc(cc1)N/2CC(=O)S\C2=N\C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M09 compound treatment -0.064 0.0654 0.09 -0.232 -0.161 -0.32 -0.6 -0.549938564026647 -1.05919662245826 -0.7409 -0.6677 1163310 TimTec1_001681 CN(C(=O)CSc1ccccc1C(=O)O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M10 compound treatment -0.434 -0.305 -0.43 -0.32 -0.249 -0.49 -0.43 -0.379938564026647 -0.731772001607016 -0.9559 -0.9736 1289766 TimTec1_001682 Cc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M11 compound treatment -0.659 -0.53 -0.75 -0.158 -0.0866 -0.17 0.57 0.620061435973353 1.19425517987092 0.1561 0.1098 3211059 TimTec1_001683 O=C/1ON=C(\C1=C\C=C\c2ccccc2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M12 compound treatment -0.583 -0.454 -0.64 0.0 0.0714 0.14 0.099 0.149061435973353 0.28709637739481 -0.1251 -0.1738 1227323 TimTec1_001684 O=C(C1C(c2cccnc2)C(C#N)(C#N)C3C=Cc4ccccc4N13)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M13 compound treatment -0.467 -0.338 -0.48 0.28 0.351 0.69 0.508 0.558061435973353 1.07484149461928 0.7441 0.5445 1914043 TimTec1_001685 CCSc1sc(CN(C)C)cc1/C=N/O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M14 compound treatment 0.221 0.35 0.5 0.251 0.322 0.64 0.232 0.282061435973353 0.543257992531375 0.9689 0.9947 1340838 TimTec1_001686 CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2C1c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M15 compound treatment -0.485 -0.356 -0.51 -0.533 -0.462 -0.91 -0.319 -0.268938564026647 -0.517982984462965 -1.1171 -0.9599 1362482 TimTec1_001687 Nc1nonc1NC(=O)CSc2ncccc2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M16 compound treatment -1.398 -1.27 -1.8 -2.0 -1.93 -3.81 -1.604 -1.55393856402665 -2.99292791266211 -4.9678 -0.9612 1375046 TimTec1_001688 NNC(=O)CSCc1ccc(Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M17 compound treatment -0.714 -0.585 -0.83 -1.016 -0.945 -1.87 -0.684 -0.633938564026647 -1.22098290570241 -2.2616 -0.9506 1460899 TimTec1_001689 CC(=O)Nc1nonc1N2CCCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M18 compound treatment 0.0 0.129 0.18 0.016 0.0874 0.17 0.13 0.180061435973353 0.346803220020626 0.4061 0.947 1065783 TimTec1_001690 CNC(=S)Nc1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M19 compound treatment -0.032 0.0974 0.14 -0.122 -0.0506 -0.1 0.03 0.080061435973353 0.154200501872833 0.1113 0.484 1042406 TimTec1_001691 Clc1ccc(NC(=O)NC2CCCCC2)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M20 compound treatment -0.275 -0.146 -0.21 -0.012 0.0594 0.12 -0.526 -0.475938564026647 -0.916670611028897 -0.581 -0.6135 1082102 TimTec1_001692 COc1ccc(NC(=S)Nc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M21 compound treatment -0.58 -0.451 -0.64 0.0 0.0714 0.14 -0.115 -0.064938564026647 -0.125073439441467 -0.3606 -0.5401 3211060 TimTec1_001693 CN1C/C(=C\c2ccccc2C)/C(=O)\C(=C\c3ccccc3C)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M22 compound treatment -0.298 -0.169 -0.24 -0.403 -0.332 -0.65 -0.253 -0.202938564026647 -0.390865190485422 -0.742 -0.9284 3083226 TimTec1_001694 O=C(/C(=C\1/NC(=O)c2ccccc2N1)/C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M23 mock treatment 0.443 0.572 0.81 0.034 0.105 0.21 0.138 0.188061435973353 0.36221143747245 0.7992 0.8736 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 M24 mock treatment -0.586 -0.457 -0.65 -0.276 -0.205 -0.4 0.015 0.065061435973353 0.125310094150664 -0.5357 -0.6914 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N01 compound treatment -0.383 -0.254 -0.36 -0.237 -0.166 -0.33 0.046 0.096061435973353 0.18501693677648 -0.2901 -0.5571 1397605 TimTec1_001695 Cc1ccc(cc1)N(C2CCS(=O)(=O)C2)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N02 compound treatment -0.305 -0.176 -0.25 0.015 0.0864 0.17 0.182 0.232061435973353 0.446956633457479 0.2125 0.3937 1024491 TimTec1_001696 COC(=O)c1ccc(=O)oc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N03 compound treatment -0.528 -0.399 -0.57 0.016 0.0874 0.17 0.143 0.193061435973353 0.371841573379839 -0.0128 -0.0183 3211061 TimTec1_001697 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N04 compound treatment -0.104 0.0254 0.04 0.316 0.387 0.77 0.123 0.173061435973353 0.333321029750281 0.655 0.7842 3083229 TimTec1_001698 Brc1cccc(c1)C(=O)C2=CC3Cc4ccccc4C3C=C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N05 compound treatment -0.382 -0.253 -0.36 -0.368 -0.297 -0.59 0.051 0.101061435973353 0.19464707268387 -0.433 -0.6065 1440003 TimTec1_001699 CCc1cc(c2n[nH]c(CCC(=O)O)c2c3nc4ccccc4n3C)c(O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N06 compound treatment -0.369 -0.24 -0.34 -0.727 -0.656 -1.29 -1.021 -0.970938564026647 -1.87005406586047 -2.0237 -0.88 3083231 TimTec1_001700 OC(=O)C1(SCCCS1)C2CCC3OCOC3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N07 compound treatment -0.254 -0.125 -0.18 -0.234 -0.163 -0.32 -0.083 -0.032938564026647 -0.0634405696341733 -0.3242 -0.8714 1108575 TimTec1_001701 C[N+](=Cc1ccc(C#N)cc1)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N08 compound treatment -0.066 0.0634 0.09 0.268 0.339 0.67 -0.133 -0.082938564026647 -0.15974192870807 0.3468 0.4991 1363444 TimTec1_001702 OC(CN1C(=O)c2ccccc2C1=O)CN3CCN(CC3)c4ccccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N09 compound treatment 0.039 0.168 0.24 0.04 0.111 0.22 0.536 0.586061435973353 1.12877025570067 0.917 0.7806 1864240 TimTec1_001703 COc1cc(/C=C(\C#N)/c2ccc(Cl)cc2)ccc1OC(=O)C3COc4ccccc4O3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N10 compound treatment -0.051 0.0784 0.11 -0.667 -0.596 -1.18 -0.109 -0.058938564026647 -0.1135172763526 -0.6801 -0.5731 3082142 TimTec1_001704 CC(=O)O/C(=C\c1cn(C(=O)C)c2ccccc12)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N11 compound treatment 0.169 0.298 0.42 -1.033 -0.962 -1.9 -1.514 -1.46393856402665 -2.81958546632909 -2.4791 -0.7237 1722000 TimTec1_001705 Cc1cccc(c1)N2C(=O)c3sc4nccc(=O)n4c3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N12 compound treatment 0.217 0.346 0.49 -0.54 -0.469 -0.93 -0.718 -0.667938564026647 -1.28646782987266 -0.9925 -0.5981 1517994 TimTec1_001706 Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c4ccccc4)c5ccccc5)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N13 compound treatment -0.091 0.0384 0.05 -0.18 -0.109 -0.21 0.046 0.096061435973353 0.18501693677648 0.0146 0.0506 3082144 TimTec1_001707 Fc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N14 compound treatment -0.068 0.0614 0.09 -0.016 0.0554 0.11 -0.092 -0.041938564026647 -0.0807748142674747 0.067 0.4143 1606324 TimTec1_001708 CN(C)c1nc2ccc(OCCN3CCOCC3)cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N15 compound treatment 0.582 0.711 1.01 -0.032 0.0394 0.08 -0.13 -0.079938564026647 -0.153963847163636 0.54 0.5263 3082146 TimTec1_001709 CC(CC(=O)O)n1ccnc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N16 compound treatment -0.338 -0.209 -0.3 0.036 0.107 0.21 0.014 0.064061435973353 0.123384066969186 0.0225 0.0584 3211063 TimTec1_001710 CCNC(=S)Nc1ccc(F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N17 compound treatment -0.281 -0.152 -0.22 -0.123 -0.0516 -0.1 0.115 0.165061435973353 0.317912812298457 3.0E-4 8.0E-4 3082148 TimTec1_001711 C(CSc1nc2ccccc2o1)Sc3nc4ccccc4o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N18 compound treatment 0.504 0.633 0.9 0.227 0.298 0.59 0.466 0.516061435973353 0.993948352997211 1.434 0.9789 1722403 TimTec1_001712 OC(OCC1Cc2ccccc2O1)C3Cc4ccccc4O3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N19 compound treatment -0.018 0.111 0.16 -0.125 -0.0536 -0.11 -0.101 -0.050938564026647 -0.0981090589007761 -0.0263 -0.1225 3211064 TimTec1_001713 COc1ccc(/C=c/2\[nH]c(=O)\c(=C/c3ccc(OC)cc3)\[nH]c2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N20 compound treatment -0.469 -0.34 -0.48 -0.707 -0.636 -1.25 -0.506 -0.455938564026647 -0.878150067399338 -1.5103 -0.9404 1707203 TimTec1_001714 Cc1cccc(Nc2nc3nonc3nc2Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N21 compound treatment -0.621 -0.492 -0.7 -0.566 -0.495 -0.98 -1.66 -1.60993856402665 -3.10078543482487 -2.7576 -0.8293 3211065 TimTec1_001715 CC(C)(C)C1(O)C=C(O)C(=O)N1c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N22 compound treatment -0.062 0.0674 0.1 -0.302 -0.231 -0.46 0.156 0.206061435973353 0.396879926739052 0.0216 0.0354 1565579 TimTec1_001716 O=C(OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cc5ccccc5oc4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N23 mock treatment 0.048 0.177 0.25 -0.029 0.0424 0.08 -0.025 0.025061435973353 0.0482690068915467 0.2219 0.8213 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 N24 mock treatment 0.072 0.201 0.29 0.062 0.133 0.26 0.122 0.172061435973353 0.331395002568803 0.5088 0.9954 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O01 compound treatment -0.333 -0.204 -0.29 -0.359 -0.288 -0.57 -0.141 -0.090938564026647 -0.175150146159893 -0.5961 -0.9018 3211066 TimTec1_001717 CC1=C(C)C2C(=NC(=NC2=O)c3ccc(o3)c4ccc(cc4)C(=O)O)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O02 compound treatment -0.325 -0.196 -0.28 -0.221 -0.15 -0.3 -0.333 -0.282938564026647 -0.544947365003656 -0.6457 -0.9504 3082153 TimTec1_001718 CCOC(=O)c1[nH]c(C)c(CC(C)C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O03 compound treatment 1.325 1.45 1.79 0.031 0.102 0.2 -0.015 0.035061435973353 0.067529278706326 1.1893 0.6597 1487341 TimTec1_001719 COc1ccc(NC(c2ccc(C)cc2)n3ncc4c(=O)n(C)c5ccccc5c34)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O04 compound treatment 0.032 0.161 0.23 0.181 0.252 0.5 0.39 0.440061435973353 0.847570287204888 0.9096 0.9009 3082155 TimTec1_001720 Cc1sc2NC(NC(=O)c2c1C)/C=C/c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O05 compound treatment -0.238 -0.109 -0.15 0.106 0.177 0.35 0.274 0.324061435973353 0.624151134153448 0.4735 0.6467 3211067 TimTec1_001721 CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C(=O)Nc4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O06 compound treatment 0.302 0.431 0.61 0.186 0.257 0.51 -0.188 -0.137938564026647 -0.265673423689356 0.4942 0.5885 1300191 TimTec1_001722 C(Nc1ncnc2nc[nH]c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O07 compound treatment 0.0 0.129 0.18 -0.032 0.0394 0.08 0.127 0.177061435973353 0.341025138476192 0.3481 0.8807 3211068 TimTec1_001723 Cc1nn(c(C)c1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O08 compound treatment 0.029 0.158 0.23 -0.475 -0.404 -0.8 0.143 0.193061435973353 0.371841573379839 -0.1153 -0.1271 1782754 TimTec1_001724 OC(=O)c1c[nH]c2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O09 compound treatment 0.387 0.516 0.73 0.277 0.348 0.69 0.299 0.349061435973353 0.672301813690397 1.2093 0.9993 1165165 TimTec1_001725 C=CCn1nnnc1SCc2cccc(CSc3nnnn3CC=C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O10 compound treatment 0.182 0.311 0.44 0.083 0.154 0.3 -0.416 -0.365938564026647 -0.704807621066325 0.0248 0.0279 1284834 TimTec1_001726 CCc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O11 compound treatment -0.096 0.0334 0.05 -1.405 -1.33 -2.63 -1.541 -1.49093856402665 -2.871588200229 -3.1507 -0.8086 3209092 TimTec1_001727 OC(=O)c1ccc(N/C=C/2\C(=O)ON=C2c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O12 compound treatment 0.186 0.315 0.45 -0.479 -0.408 -0.8 -0.739 -0.688938564026647 -1.3269144006837 -0.9718 -0.6016 1145898 TimTec1_001728 Nc1nc2CCCCCc2c(c1C#N)c3cccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O13 compound treatment -1.534 -1.4 -2.0 -2.091 -2.02 -3.99 -1.062 -1.01193856402665 -1.94902118030107 -4.5805 -0.9411 3209093 TimTec1_001729 Cc1cc(C(=O)O)c(s1)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O14 compound treatment 0.104 0.233 0.33 0.008 0.0794 0.16 0.079 0.129061435973353 0.248575833765252 0.4257 0.9602 1667092 TimTec1_001730 COc1ccc(cc1)c2c[nH]c(=N)s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O15 compound treatment -0.346 -0.217 -0.31 -0.574 -0.503 -0.99 -0.382 -0.331938564026647 -0.639322696896075 -1.1198 -0.9179 1602686 TimTec1_001731 Nc1nonc1NC(=O)CSC2=NCCS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O16 compound treatment -0.167 -0.0376 -0.05 -0.212 -0.141 -0.28 -0.082 -0.031938564026647 -0.0615145424526954 -0.2266 -0.7834 1216965 TimTec1_001732 COc1ccc(cc1OC)S(=O)(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O17 compound treatment -0.108 0.0214 0.03 -0.194 -0.123 -0.24 0.254 0.304061435973353 0.58563059052389 0.216 0.3404 3209094 TimTec1_001733 CC(=O)Nc1nonc1Nc2csc(CC#N)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O18 compound treatment -0.195 -0.0656 -0.09 0.05 0.121 0.24 -0.203 -0.152938564026647 -0.294563831411525 -0.0855 -0.2185 3082865 TimTec1_001734 Cc1cccc(C)c1NS(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O19 compound treatment -0.452 -0.323 -0.46 -0.203 -0.132 -0.26 -0.167 -0.116938564026647 -0.22522685287832 -0.5448 -0.9505 3209095 TimTec1_001735 OC(=O)Nc1cc(Cl)cc(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O20 compound treatment -0.091 0.0384 0.05 0.016 0.0874 0.17 -0.189 -0.138938564026647 -0.267599450870834 -0.0233 -0.0721 3082867 TimTec1_001736 OC(=O)c1ccc(/N=C/c2ccc(o2)c3ccc(Cl)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O21 compound treatment 0.324 0.453 0.64 0.014 0.0854 0.17 0.489 0.539061435973353 1.0382469781712 1.069 0.8665 1913174 TimTec1_001737 CN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O22 compound treatment -0.258 -0.129 -0.18 -0.613 -0.542 -1.07 -0.397 -0.346938564026647 -0.668213104618244 -1.1087 -0.8702 1594528 TimTec1_001738 NC(=O)c1ccc(OC2CSC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O23 mock treatment 0.243 0.372 0.53 0.519 0.59 1.17 0.289 0.339061435973353 0.653041541875617 1.3558 0.9433 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 O24 mock treatment -0.731 -0.602 -0.86 0.123 0.194 0.38 -0.015 0.035061435973353 0.067529278706326 -0.2332 -0.2481 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P01 compound treatment -1.067 -0.938 -1.33 -0.437 -0.366 -0.72 0.152 0.202061435973353 0.389175818013141 -0.9617 -0.6145 1562676 TimTec1_001739 S=c1oc(Cc2ccccc2)nn1CN3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P02 compound treatment -0.463 -0.334 -0.47 -0.293 -0.222 -0.44 -0.196 -0.145938564026647 -0.28108164114118 -0.6887 -0.9785 1066227 TimTec1_001740 CC(=O)Nc1nc(C)cs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P03 compound treatment 0.1 0.229 0.33 -0.324 -0.253 -0.5 0.035 0.085061435973353 0.163830637780223 -0.005 -0.0081 3209096 TimTec1_001741 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P04 compound treatment -0.469 -0.34 -0.48 -0.143 -0.0716 -0.14 0.052 0.102061435973353 0.196573099865347 -0.2468 -0.457 1472764 TimTec1_001742 OCCNC(=O)c1ccc2OCCOCCOCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P05 compound treatment -0.4 -0.271 -0.38 -3.603 -3.53 -6.97 -1.89 -1.83993856402665 -3.5437716865648 -6.2941 -0.8037 1707455 TimTec1_001743 C(N1CCCc2ccccc12)c3cn4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P06 compound treatment 0.307 0.436 0.62 0.439 0.51 1.01 -0.268 -0.217938564026647 -0.419755598207591 0.6978 0.5557 1631427 TimTec1_001744 COc1ccc2c(CCC3=C(C)C(=O)CCC32C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P07 compound treatment -0.179 -0.0496 -0.07 0.477 0.548 1.08 0.66 0.710061435973353 1.36759762620393 1.3741 0.7871 1684686 TimTec1_001745 N1C(Nc2cccc3cccc1c23)c4ccncc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P08 compound treatment -0.862 -0.733 -1.04 -0.628 -0.557 -1.1 -0.733 -0.682938564026647 -1.31535823759483 -1.9953 -0.9948 1244779 TimTec1_001746 C(OCc1ccccc1)C(CSc2ccccc2)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P09 compound treatment -0.086 0.0434 0.06 -0.962 -0.891 -1.76 -0.727 -0.676938564026647 -1.30380207450596 -1.7323 -0.7911 3082946 TimTec1_001747 Clc1ccccc1/C=C/C(=O)Nc2nnc[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P10 compound treatment -0.13 -5.91E-4 0.0 -0.134 -0.0626 -0.12 0.4 0.450061435973353 0.866830559019668 0.4287 0.4896 3209097 TimTec1_001748 O=C/1OC(=N\C1=C/c2c[nH]c3ccccc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P11 compound treatment -0.059 0.0704 0.1 -0.506 -0.435 -0.86 -0.652 -0.601938564026647 -1.15935003589512 -1.107 -0.7656 1718471 TimTec1_001749 CCCc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P12 compound treatment 0.094 0.223 0.32 -0.494 -0.423 -0.83 -0.308 -0.257938564026647 -0.496796685466708 -0.5852 -0.5727 1434439 TimTec1_001750 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P13 compound treatment 3.378 3.51 2.36 0.343 0.414 0.82 -0.038 0.012061435973353 0.0232306535323336 1.8512 0.7397 3209098 TimTec1_001751 Cc1nnc(C)n1/N=C/C=C\c2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P14 compound treatment -0.512 -0.383 -0.54 -0.272 -0.201 -0.4 -0.153 -0.102938564026647 -0.198262472337629 -0.6572 -0.9369 1284591 TimTec1_001752 CS(=O)(=O)Cc1ccc(Oc2ccc(NS(=O)(=O)C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P15 compound treatment 0.326 0.455 0.65 -0.042 0.0294 0.06 0.352 0.402061435973353 0.774381254308727 0.8545 0.8451 1689423 TimTec1_001753 COc1cc-2c(CC3N(C)CCc4c(OC)c(OC)c(OC)c2c34)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P16 compound treatment -0.34 -0.211 -0.3 0.063 0.134 0.27 0.085 0.135061435973353 0.260131996854119 0.1306 0.2736 3082952 TimTec1_001754 CCNC(=S)N1CCOCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P17 compound treatment -0.659 -0.53 -0.75 -1.347 -1.28 -2.52 -0.646 -0.595938564026647 -1.14779387280625 -2.5515 -0.8895 1735540 TimTec1_001755 CCCCn1c(=O)oc2cc(Br)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P18 compound treatment -0.239 -0.11 -0.16 0.148 0.219 0.43 0.182 0.232061435973353 0.446956633457479 0.4182 0.6518 3209099 TimTec1_001756 FC(F)(F)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P19 compound treatment -0.371 -0.242 -0.34 -0.516 -0.445 -0.88 0.21 0.260061435973353 0.500885394538861 -0.4159 -0.3897 3082954 TimTec1_001757 CCN1CC(=O)N(C1=S)c2ccccc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P20 compound treatment -0.238 -0.109 -0.15 -0.313 -0.242 -0.48 -0.378 -0.327938564026647 -0.631618588170163 -0.7292 -0.9042 1412266 TimTec1_001758 CC(=O)n1c2ccc(C)cc2c3nc4ccccc4nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P21 compound treatment 0.017 0.146 0.21 -0.046 0.0254 0.05 0.581 0.631061435973353 1.21544147886717 0.8509 0.6895 3209100 TimTec1_001759 Cc1cn(C2CC(NC(=O)C(C)(C)C)C(CO)O2)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P22 compound treatment 0.019 0.148 0.21 -0.058 0.0134 0.03 -0.378 -0.327938564026647 -0.631618588170163 -0.2275 -0.3414 1065752 TimTec1_001760 O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P23 mock treatment -0.235 -0.106 -0.15 0.19 0.261 0.52 0.09 0.140061435973353 0.269762132761509 0.3671 0.6103 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2067 P24 mock treatment -0.459 -0.33 -0.47 0.118 0.189 0.37 -0.029 0.021061435973353 0.040564898165635 -0.0312 -0.0519 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A01 compound treatment 0.663 0.792 1.13 0.315 0.386 0.76 0.191 0.241061435973353 0.46429087809078 1.3591 0.9453 1440335 TimTec1_002465 COc1ccc2N(C(=O)CN3C(=O)CCC3=O)C(C)(C)C=C(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A02 compound treatment -1.174 -1.04 -1.49 -0.563 -0.492 -0.97 -0.442 -0.391938564026647 -0.754884327784751 -1.8537 -0.9614 3210671 TimTec1_002466 Oc1ccccc1/C=N/c2ccc(cc2)C(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A03 compound treatment -0.868 -0.739 -1.05 -0.393 -0.322 -0.63 -0.024 0.026061435973353 0.0501950340730246 -0.9439 -0.7685 1235611 TimTec1_002467 CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A04 compound treatment -0.573 -0.444 -0.63 0.044 0.115 0.23 0.031 0.081061435973353 0.156126529054311 -0.1424 -0.2068 3210672 TimTec1_002468 CC(NC(=O)/C=C/c1cccc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A05 compound treatment 0.03 0.159 0.23 -0.484 -0.413 -0.81 0.231 0.281061435973353 0.541331965349897 -0.0269 -0.0268 3210673 TimTec1_002469 C[S+](C)c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A06 compound treatment -0.388 -0.259 -0.37 -0.161 -0.0896 -0.18 -0.198 -0.147938564026647 -0.284933695504136 -0.4789 -0.9623 3083610 TimTec1_002470 COC(=O)COc1c(C)cc(Br)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A07 compound treatment 0.014 0.143 0.2 -0.093 -0.0216 -0.04 -0.095 -0.044938564026647 -0.0865528958119085 0.0432 0.1914 3210674 TimTec1_002471 Oc1cc(=O)n(n2c(=O)cc(O)n(c3ccccc3)c2=S)c(=S)n1c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A08 compound treatment -0.081 0.0484 0.07 -0.061 0.0104 0.02 0.101 0.151061435973353 0.290948431757766 0.2196 0.7328 1664815 TimTec1_002472 Cn1c(Cl)c(CN)c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A09 compound treatment -0.136 -0.00659 -0.01 0.053 0.124 0.25 -0.321 -0.270938564026647 -0.521835038825921 -0.1648 -0.2857 3083613 TimTec1_002473 CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n3c1ccc4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A10 compound treatment -1.264 -1.13 -1.61 -0.532 -0.461 -0.91 -2.025 -1.97493856402665 -3.80378535606432 -3.6525 -0.8634 3210675 TimTec1_002474 COc1ccc2ccccc2c1/C=N/c3ccc(C)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A11 compound treatment -0.821 -0.692 -0.98 0.175 0.246 0.49 -0.036 0.014061435973353 0.0270827078952895 -0.2711 -0.2471 3210676 TimTec1_002475 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)/C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A12 compound treatment -0.043 0.0864 0.12 -0.133 -0.0616 -0.12 0.101 0.151061435973353 0.290948431757766 0.1687 0.4986 3083616 TimTec1_002476 CCn1c2ccccc2c3cc(/C=N/c4cccc(C#N)c4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A13 compound treatment 0.079 0.208 0.3 0.036 0.107 0.21 -0.082 -0.031938564026647 -0.0615145424526954 0.258 0.6982 1250862 TimTec1_002477 CC(N1C(=O)c2ccccc2C1=O)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A14 compound treatment 0.221 0.35 0.5 0.05 0.121 0.24 0.286 0.336061435973353 0.647263460331183 0.7998 0.9395 1382898 TimTec1_002478 NC(=O)c1cccc(c1)N2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A15 compound treatment 0.969 1.1 1.56 1.357 1.43 2.41 0.651 0.701061435973353 1.35026338157063 3.0727 0.9683 3210677 TimTec1_002479 Cc1ccc(C(=O)c2ccn(n2)C(=O)c3ccc(F)cc3)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A16 compound treatment -0.051 0.0784 0.11 -0.127 -0.0556 -0.11 0.02 0.070061435973353 0.134940230058054 0.0789 0.3821 3083617 TimTec1_002480 COc1cc(OC)c(/C=N/O)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A17 compound treatment -0.301 -0.172 -0.24 -0.328 -0.257 -0.51 -0.321 -0.270938564026647 -0.521835038825921 -0.7346 -0.9576 3210678 TimTec1_002481 Clc1cc(NC(=O)C2CC2)ccc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A18 compound treatment -0.347 -0.218 -0.31 -0.176 -0.105 -0.21 0.034 0.084061435973353 0.161904610598745 -0.2043 -0.5037 3210679 TimTec1_002482 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc4ccccc4c3)c1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A19 compound treatment -0.661 -0.532 -0.76 -0.268 -0.197 -0.39 -0.278 -0.227938564026647 -0.43901587002237 -0.9139 -0.9556 3083619 TimTec1_002483 CCOc1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A20 compound treatment 0.27 0.399 0.57 0.49 0.561 1.11 0.373 0.423061435973353 0.814827825119764 1.4383 0.9664 1596328 TimTec1_002484 Oc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A21 compound treatment -0.083 0.0464 0.07 -0.316 -0.245 -0.48 -0.145 -0.094938564026647 -0.182854254885805 -0.3463 -0.6652 3210680 TimTec1_002485 CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A22 compound treatment -0.045 0.0844 0.12 -0.344 -0.273 -0.54 0.127 0.177061435973353 0.341025138476192 -0.0445 -0.0687 3210681 TimTec1_002486 CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(c2ccc(F)cc2)c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A23 mock treatment -0.663 -0.534 -0.76 0.053 0.124 0.25 0.027 0.077061435973353 0.148422420328399 -0.2105 -0.2595 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 A24 mock treatment 0.11 0.239 0.34 0.258 0.329 0.65 0.014 0.064061435973353 0.123384066969186 0.6433 0.8641 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B01 compound treatment -0.108 0.0214 0.03 0.197 0.268 0.53 0.333 0.383061435973353 0.737786737860646 0.7496 0.8246 3210682 TimTec1_002487 CCc1n[nH]c(=O)n1Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B02 compound treatment -0.176 -0.0466 -0.07 0.143 0.214 0.42 0.267 0.317061435973353 0.610668943883103 0.5588 0.749 1134528 TimTec1_002488 Clc1cccc(NC(=O)NCCN2Cc3ccccc3C2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B03 compound treatment 0.073 0.202 0.29 -0.271 -0.2 -0.39 -0.104 -0.053938564026647 -0.10388714044521 -0.1213 -0.2432 1695505 TimTec1_002489 COC(=O)c1ccccc1NC(=O)c2c(C)nc3ccccn23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B04 compound treatment -1.258 -1.13 -1.6 -0.664 -0.593 -1.17 5.11 5.16006143597335 3.43460443927491 0.381 0.096 1061354 TimTec1_002490 OC(=O)CCCN1C(=O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B05 compound treatment -0.823 -0.694 -0.99 -0.518 -0.447 -0.88 -0.213 -0.162938564026647 -0.313824103226304 -1.2596 -0.9265 3210683 TimTec1_002491 C/C(=N\n1cnnc1)/c2ccc(cc2)n3cnnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B06 compound treatment -0.15 -0.0206 -0.03 0.323 0.394 0.78 -0.075 -0.024938564026647 -0.0480323521823499 0.405 0.5187 1660739 TimTec1_002492 Clc1cccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B07 compound treatment 0.544 0.673 0.96 0.49 0.561 1.11 0.059 0.109061435973353 0.210055290135693 1.3141 0.888 1742832 TimTec1_002493 CCOC(=O)N(C)CCc1cc2OCOc2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B08 compound treatment -0.339 -0.21 -0.3 -0.207 -0.136 -0.27 -0.329 -0.278938564026647 -0.537243256277745 -0.6368 -0.9502 3083672 TimTec1_002494 Cc1ccc2nc(=S)nc(c3ccccc3)n2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B09 compound treatment -0.561 -0.432 -0.61 -0.435 -0.364 -0.72 -0.187 -0.136938564026647 -0.263747396507878 -0.921 -0.9393 3210684 TimTec1_002495 N=C1S/C(=C\2/C(=O)NN(C2=O)c3ccccc3)/SC=C1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B10 compound treatment 0.013 0.142 0.2 -0.063 0.00844 0.02 0.224 0.274061435973353 0.527849775079552 0.4313 0.7625 1574189 TimTec1_002496 COc1ccc(cc1)C(C#N)N2N=C(C)CC2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B11 compound treatment 0.0 0.129 0.18 0.129 0.2 0.4 0.119 0.169061435973353 0.325616921024369 0.5227 0.9599 3083674 TimTec1_002497 O=C1NN=C(CC(N1)c2ccco2)c3cc4ccccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B12 compound treatment 0.031 0.16 0.23 -0.726 -0.655 -1.29 -0.986 -0.935938564026647 -1.80264311450875 -1.6553 -0.7423 1539134 TimTec1_002498 Sc1nc2cc(ccc2s1)C(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B13 compound treatment -0.322 -0.193 -0.27 -0.418 -0.347 -0.68 -0.289 -0.238938564026647 -0.460202169018627 -0.8189 -0.9424 3083676 TimTec1_002499 OCc1cn(nn1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B14 compound treatment -0.091 0.0384 0.05 0.016 0.0874 0.17 0.341 0.391061435973353 0.75319495531247 0.5661 0.7307 1459359 TimTec1_002500 Clc1ccc(CCN2CC(CC2=O)C(=O)OCC(=O)c3ccc(Cl)cc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B15 compound treatment 0.713 0.842 1.2 -0.119 -0.0476 -0.09 -0.014 0.036061435973353 0.069455305887804 0.6774 0.5629 1402941 TimTec1_002501 CN(C)Cc1nnnn1CCn2nnnc2CN(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B16 compound treatment -0.413 -0.284 -0.4 -0.222 -0.151 -0.3 0.16 0.210061435973353 0.404584035464964 -0.1708 -0.2653 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B17 compound treatment -0.536 -0.407 -0.58 -0.053 0.0184 0.04 -0.171 -0.120938564026647 -0.232930961604231 -0.4472 -0.7163 3083678 TimTec1_002503 COC(=O)c1c(C)c(C)[nH]c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B18 compound treatment -0.364 -0.235 -0.33 0.231 0.302 0.6 0.308 0.358061435973353 0.689636058323698 0.5504 0.5666 1544714 TimTec1_002504 CCOc1ccc(c2ccccc12)S(=O)(=O)NCC3CCCO3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B19 compound treatment 0.321 0.45 0.64 0.692 0.763 1.51 0.463 0.513061435973353 0.988170271452777 1.8106 0.9465 1721791 TimTec1_002505 CC(C)C(C)(NC(=O)c1cccnc1Oc2ccc(Cl)cc2)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B20 compound treatment 0.288 0.417 0.59 0.631 0.702 1.39 0.195 0.245061435973353 0.471994986816692 1.4159 0.8957 1358324 TimTec1_002506 CCOC(=O)CN(C)c1nc(cs1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B21 compound treatment 0.11 0.239 0.34 -0.233 -0.162 -0.32 -0.384 -0.333938564026647 -0.643174751259031 -0.359 -0.4518 1160634 TimTec1_002507 O=C(NCc1nc(cs1)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B22 compound treatment 0.118 0.247 0.35 0.185 0.256 0.51 0.125 0.175061435973353 0.337173084113236 0.6901 0.982 1033354 TimTec1_002508 O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B23 mock treatment 0.16 0.289 0.41 -0.043 0.0284 0.06 0.012 0.062061435973353 0.11953201260623 0.339 0.7844 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 B24 mock treatment -0.242 -0.113 -0.16 0.065 0.136 0.27 0.07 0.120061435973353 0.23124158913195 0.1966 0.5049 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C01 compound treatment -0.25 -0.121 -0.17 -0.231 -0.16 -0.32 -0.059 -0.008938564026647 -0.017215917278703 -0.2908 -0.8099 1317591 TimTec1_002509 Brc1ccccc1OCc2ccc(o2)C(=O)Nc3ccc(I)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C02 compound treatment -1.052 -0.923 -1.31 -0.923 -0.852 -1.68 -0.841 -0.790938564026647 -1.52336917319445 -2.6076 -0.995 3210802 TimTec1_002510 Oc1ccc(Br)cc1/C=N/CCC2=CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C03 compound treatment -0.205 -0.0756 -0.11 0.324 0.395 0.78 0.361 0.411061435973353 0.791715498942028 0.8458 0.7571 3083683 TimTec1_002511 COC(=O)c1ccc(cc1)n2nnnc2SCC(=O)NC(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C04 compound treatment 0.474 0.603 0.86 0.523 0.594 1.17 0.459 0.509061435973353 0.980466162726866 1.739 0.9917 3210803 TimTec1_002512 O=C(Nc1nccs1)/C=C/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C05 compound treatment -0.862 -0.733 -1.04 -0.969 -0.898 -1.77 -0.54 -0.489938564026647 -0.943634991569588 -2.1694 -0.9591 1542712 TimTec1_002513 CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C06 compound treatment -0.12 0.00941 0.01 -0.153 -0.0816 -0.16 -0.387 -0.336938564026647 -0.648952832803465 -0.4599 -0.6877 3083686 TimTec1_002514 COc1cc(/C=N/O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C07 compound treatment 0.895 1.02 1.46 1.029 1.1 2.14 0.976 1.02606143597335 1.97622221555096 3.2191 0.9879 1452827 TimTec1_002515 O=C(CSc1nc2scc(c3cccs3)c2c(=O)n1c4ccccc4)NCc5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C08 compound treatment -0.242 -0.113 -0.16 -0.164 -0.0926 -0.18 -0.735 -0.684938564026647 -1.31921029195778 -0.9596 -0.7154 1593834 TimTec1_002516 OCc1ccccc1CN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C09 compound treatment 0.03 0.159 0.23 0.169 0.24 0.47 0.07 0.120061435973353 0.23124158913195 0.5385 0.937 1361213 TimTec1_002517 COC(=O)c1cc(c(C)o1)c2cncnc2c3ccc(OC)c(C)c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C10 compound treatment 0.0 0.129 0.18 -0.575 -0.504 -0.99 -0.385 -0.334938564026647 -0.645100778440509 -0.8403 -0.7006 3210804 TimTec1_002518 COc1ccc2ccccc2c1/C=N/c3cccc(CO)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C11 compound treatment -0.159 -0.0296 -0.04 -0.824 -0.753 -1.49 -0.987 -0.936938564026647 -1.80456914169022 -1.9241 -0.823 1240365 TimTec1_002519 Clc1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C12 compound treatment 0.015 0.144 0.21 -0.056 0.0154 0.03 -0.043 0.007061435973353 0.013600517624944 0.144 0.6922 3083730 TimTec1_002520 Cc1cc(C)cc(/N=C/c2ccc(C#N)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C13 compound treatment -0.183 -0.0536 -0.08 -0.234 -0.163 -0.32 0.046 0.096061435973353 0.18501693677648 -0.1225 -0.3238 3083732 TimTec1_002521 N/C(=C\C(=O)c1ccc(Br)cc1)/C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C14 compound treatment -0.024 0.105 0.15 0.05 0.121 0.24 0.219 0.269061435973353 0.518219639172162 0.5242 0.8879 3210805 TimTec1_002522 COc1cc(/C=N/c2cc(C)ccc2C)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C15 compound treatment 0.63 0.759 1.08 0.159 0.23 0.46 0.155 0.205061435973353 0.394953899557574 1.1141 0.901 3210806 TimTec1_002523 CN1CCN(CC1)C(=O)c2ccccc2NC(=O)c3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C16 compound treatment -0.235 -0.106 -0.15 -0.424 -0.353 -0.7 -0.167 -0.116938564026647 -0.22522685287832 -0.6186 -0.8282 1638681 TimTec1_002524 Ic1ccc(NC(=O)c2ccccc2C(=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C17 compound treatment -0.741 -0.612 -0.87 -0.355 -0.284 -0.56 -0.492 -0.441938564026647 -0.851185686858647 -1.3167 -0.983 3083735 TimTec1_002525 Cc1ccsc1/C=N/c2c(C)cc(C)cc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C18 compound treatment -0.088 0.0414 0.06 0.069 0.14 0.28 0.284 0.334061435973353 0.643411405968228 0.5656 0.8044 3210807 TimTec1_002526 CC(=O)N/C(=C/c1ccccc1)/C(=O)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C19 compound treatment -0.726 -0.597 -0.85 -0.294 -0.223 -0.44 -0.349 -0.298938564026647 -0.575763799907303 -1.0759 -0.9646 3210808 TimTec1_002527 CCn1c2ccccc2c3cc(/C=N/c4ccc(OC)cc4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C20 compound treatment -0.141 -0.0116 -0.02 0.433 0.504 1.0 0.403 0.453061435973353 0.872608640564102 1.0693 0.8075 3083737 TimTec1_002528 COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C21 compound treatment -0.179 -0.0496 -0.07 -0.246 -0.175 -0.34 -0.541 -0.490938564026647 -0.945561018751066 -0.7856 -0.7787 3210809 TimTec1_002529 COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C22 compound treatment -0.18 -0.0506 -0.07 -0.127 -0.0556 -0.11 0.203 0.253061435973353 0.487403204268515 0.1765 0.3497 3083739 TimTec1_002530 CC1=C(CNC(=S)N1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C23 mock treatment 0.063 0.192 0.27 0.474 0.545 1.08 0.12 0.170061435973353 0.327542948205847 0.9688 0.8363 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 C24 mock treatment 0.063 0.192 0.27 0.086 0.157 0.31 0.042 0.092061435973353 0.177312828050568 0.4398 0.9763 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D01 compound treatment -0.255 -0.126 -0.18 -0.25 -0.179 -0.35 -0.04 0.010061435973353 0.0193785991693777 -0.2955 -0.7467 3210810 TimTec1_002531 CCCc1nncn1NC(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D02 compound treatment -0.978 -0.849 -1.21 -0.765 -0.694 -1.37 -0.533 -0.482938564026647 -0.930152801299243 -2.0243 -0.9882 1545647 TimTec1_002532 CCC1=NCC(=O)Nc2ccc(Cl)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D03 compound treatment -0.591 -0.462 -0.66 -0.389 -0.318 -0.63 -0.296 -0.245938564026647 -0.473684359288973 -1.0144 -0.9908 3210811 TimTec1_002533 O=C/1Nc2ccccc2\C1=N\N3C(=O)CC(=O)CC3=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D04 compound treatment -0.294 -0.165 -0.23 0.031 0.102 0.2 -0.15 -0.099938564026647 -0.192484390793195 -0.1295 -0.3554 1629795 TimTec1_002534 O=C(COc1ccccc1C#N)Nc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D05 compound treatment -0.931 -0.802 -1.14 -0.764 -0.693 -1.37 -0.75 -0.699938564026647 -1.34810069967995 -2.2258 -0.9968 1595606 TimTec1_002535 Cc1cc(C)n(CNc2c(C)n(C)n(c3ccccc3)c2=O)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D06 compound treatment -0.217 -0.0876 -0.12 0.44 0.511 1.01 -0.145 -0.094938564026647 -0.182854254885805 0.4056 0.3923 1277145 TimTec1_002536 CC1=NN(C(=O)Cc2ccccc2)C(C)(C)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D07 compound treatment -0.275 -0.146 -0.21 -0.376 -0.305 -0.6 -0.056 -0.005938564026647 -0.0114378357342692 -0.4733 -0.7441 3210812 TimTec1_002537 CC(=O)OC1=NN(N(=C1)O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D08 compound treatment -0.441 -0.312 -0.44 0.03 0.101 0.2 -0.086 -0.035938564026647 -0.0692186511786071 -0.1801 -0.3667 3210813 TimTec1_002538 CCCc1ccc(OCCNC(=O)c2ccc3ccccc3n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D09 compound treatment 0.276 0.405 0.58 0.231 0.302 0.6 -1.467 -1.41693856402665 -2.72906218879963 -0.8981 -0.3148 1241793 TimTec1_002539 CCOC(=O)Cn1c2CCC(Cc2sc1=N)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D10 compound treatment 0.059 0.188 0.27 0.602 0.673 1.33 0.125 0.175061435973353 0.337173084113236 1.117 0.7992 1587827 TimTec1_002540 OC(=O)CC1(CC(=O)NCc2ccc3OCOc3c2)CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D11 compound treatment -0.699 -0.57 -0.81 0.023 0.0944 0.19 0.068 0.118061435973353 0.227389534768994 -0.2286 -0.2653 3083745 TimTec1_002541 Clc1ccc(CNC(=C(C#N)C#N)Nc2ccccc2)cn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D12 compound treatment 0.05 0.179 0.26 0.026 0.0974 0.19 0.069 0.119061435973353 0.229315561950472 0.3907 0.9936 1378435 TimTec1_002542 CCCC(O)(CCC)C(=O)NN1CCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D13 compound treatment 0.023 0.152 0.22 -0.284 -0.213 -0.42 -0.185 -0.134938564026647 -0.259895342144922 -0.2673 -0.4957 1537190 TimTec1_002543 CCCC(=O)n1c(=O)oc2cc(Br)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D14 compound treatment -0.08 0.0494 0.07 -0.289 -0.218 -0.43 0.033 0.083061435973353 0.159978583417267 -0.1151 -0.2482 3083789 TimTec1_002544 COc1ccc(C#N)c(c1)S(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D15 compound treatment -0.456 -0.327 -0.46 -0.446 -0.375 -0.74 -0.132 -0.081938564026647 -0.157815901526592 -0.7862 -0.8859 3241 TimTec1_002545 CN1CCCN=C1/C=C/c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D16 compound treatment -0.194 -0.0646 -0.09 -0.074 -0.00256 -0.01 -0.026 0.024061435973353 0.0463429797100688 -0.0292 -0.2834 3083792 TimTec1_002546 CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D17 compound treatment -1.246 -1.12 -1.59 -1.068 -0.997 -1.97 -0.833 -0.782938564026647 -1.50796095574262 -2.9233 -0.993 1551509 TimTec1_002547 C(N1CCOCC1)c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D18 compound treatment 0.328 0.457 0.65 0.315 0.386 0.76 -0.014 0.036061435973353 0.069455305887804 0.8561 0.8519 3210815 TimTec1_002548 CCC1(C)OC(=O)N2CCc3ccccc3C21C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D19 compound treatment -0.145 -0.0156 -0.02 0.018 0.0894 0.18 0.391 0.441061435973353 0.849496314386366 0.5796 0.6678 1026666 TimTec1_002549 Clc1ccccc1NC(=O)Nc2ccccc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D20 compound treatment -0.108 0.0214 0.03 -0.931 -0.86 -1.7 -0.81 -0.759938564026647 -1.46366233056863 -1.8074 -0.8064 3083794 TimTec1_002550 Oc1cc(n[nH]1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D21 compound treatment 0.037 0.166 0.24 0.014 0.0854 0.17 0.094 0.144061435973353 0.277466241487421 0.3942 0.9811 1273445 TimTec1_002551 CC(=O)Nc1cc2OCCOc2cc1C(=O)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D22 compound treatment -0.127 0.00241 0.0 0.267 0.338 0.67 -0.048 0.002061435973353 0.00397038171755429 0.3901 0.5837 1411171 TimTec1_002552 OCCN1CCN(CC1)S(=O)(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D23 mock treatment -0.038 0.0914 0.13 -0.067 0.00444 0.01 -0.041 0.009061435973353 0.0174525719878998 0.0902 0.6861 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 D24 mock treatment 0.3 0.429 0.61 0.068 0.139 0.28 0.071 0.121061435973353 0.233167616313428 0.6461 0.911 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E01 compound treatment 1.062 1.19 1.65 -0.017 0.0544 0.11 -0.225 -0.174938564026647 -0.33693642940404 0.8173 0.4857 1153857 TimTec1_002553 COc1ccc(NC(=S)N2CCN(C)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E02 compound treatment 0.932 1.06 1.51 1.508 1.58 2.51 0.714 0.764061435973353 1.47160309400374 3.1709 0.9671 1699449 TimTec1_002554 S=C(Nc1sc2CCCc2c1C#N)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E03 compound treatment -0.247 -0.118 -0.17 -0.3 -0.229 -0.45 0.195 0.245061435973353 0.471994986816692 -0.0846 -0.1255 1502764 TimTec1_002555 Cc1cc(C)n(n1)C(Nc2cc(C)ccn2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E04 compound treatment -0.464 -0.335 -0.48 0.3 0.371 0.73 -0.723 -0.672938564026647 -1.29609796578005 -0.5995 -0.3835 1627110 TimTec1_002556 OCc1ccccc1CNc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E05 compound treatment 0.535 0.664 0.94 0.219 0.29 0.57 -0.274 -0.223938564026647 -0.431311761296458 0.6275 0.5289 1382760 TimTec1_002557 CCC(=O)Nc1nc(NC(=O)CC)c2ncn(C(=O)CC)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E06 compound treatment -0.701 -0.572 -0.81 -0.49 -0.419 -0.83 -0.263 -0.212938564026647 -0.410125462300201 -1.1831 -0.9623 1126108 TimTec1_002558 COc1ccc(CCNc2ccc(C)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E07 compound treatment -0.061 0.0684 0.1 -0.089 -0.0176 -0.03 0.029 0.079061435973353 0.152274474691355 0.124 0.6742 3083800 TimTec1_002559 COc1ccc(cc1)C2=C3NN=C(N)N3NN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E08 compound treatment -0.28 -0.151 -0.21 -0.604 -0.533 -1.05 -0.742 -0.691938564026647 -1.33269248222813 -1.5002 -0.8768 1594522 TimTec1_002560 CNCc1cc2ccccc2s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E09 compound treatment 0.053 0.182 0.26 -0.31 -0.239 -0.47 -0.59 -0.539938564026647 -1.03993635064348 -0.7226 -0.6172 3210930 TimTec1_002561 COc1ccc(c(O)c1)c2ncnc(c2c3cscn3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E10 compound treatment -0.55 -0.421 -0.6 -0.691 -0.62 -1.22 -0.755 -0.704938564026647 -1.35773083558734 -1.8354 -0.9545 3083802 TimTec1_002562 CCOC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E11 compound treatment 0.35 0.479 0.68 -0.569 -0.498 -0.98 -0.265 -0.214938564026647 -0.413977516663157 -0.4127 -0.3261 1258628 TimTec1_002563 NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E12 compound treatment 0.372 0.501 0.71 -0.065 0.00644 0.01 -0.453 -0.402938564026647 -0.776070626781008 -0.0291 -0.0276 3083804 TimTec1_002564 CCN(CC)c1ccc(/C=N/c2cc(C)cc(C)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E13 compound treatment -0.39 -0.261 -0.37 -0.018 0.0534 0.11 -0.455 -0.404938564026647 -0.779922681143964 -0.6033 -0.6935 3210931 TimTec1_002565 Cc1ccc(O)c(c1)c2cc(no2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E14 compound treatment 0.194 0.323 0.46 0.5 0.571 1.13 0.022 0.072061435973353 0.138792284421009 0.997 0.8131 1565284 TimTec1_002566 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E15 compound treatment 0.141 0.27 0.38 -0.3 -0.229 -0.45 -0.037 0.013061435973353 0.0251566807138115 -0.0241 -0.0406 1532411 TimTec1_002567 O=C(Nc1ccccc1)Nc2ccc(cc2)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E16 compound treatment 0.317 0.446 0.63 0.807 0.878 1.73 0.007 0.057061435973353 0.109901876698841 1.4313 0.7736 1209164 TimTec1_002568 N#Cc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E17 compound treatment 0.299 0.428 0.61 1.182 1.25 2.28 1.109 1.15906143597335 2.12161429031262 2.891 0.9117 1709264 TimTec1_002569 OC(c1cccs1)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E18 compound treatment -0.245 -0.116 -0.16 0.091 0.162 0.32 -0.064 -0.013938564026647 -0.0268460531860926 0.0748 0.207 3210932 TimTec1_002570 CCn1c2ccccc2c3cc(/C=N/c4ccc(C)cc4O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E19 compound treatment -0.209 -0.0796 -0.11 -0.116 -0.0446 -0.09 -0.174 -0.123938564026647 -0.238709043148665 -0.254 -0.9121 3083808 TimTec1_002571 FC(F)(F)Oc1ccc(/N=C/c2ccc[nH]2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E20 compound treatment 0.076 0.205 0.29 -0.481 -0.41 -0.81 -0.435 -0.384938564026647 -0.741402137514405 -0.7263 -0.6398 1012470 TimTec1_002572 COc1ccc(CNC2CCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E21 compound treatment 0.047 0.176 0.25 0.0 0.0714 0.14 -0.025 0.025061435973353 0.0482690068915467 0.2541 0.8709 3210933 TimTec1_002573 COC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E22 compound treatment 0.286 0.415 0.59 0.016 0.0874 0.17 -0.119 -0.068938564026647 -0.132777548167379 0.364 0.5783 1473837 TimTec1_002574 O=C(NCc1ccco1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E23 mock treatment -0.667 -0.538 -0.76 0.098 0.169 0.33 0.179 0.229061435973353 0.441178551913045 0.0066 0.007 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 E24 mock treatment -0.456 -0.327 -0.46 0.167 0.238 0.47 0.11 0.160061435973353 0.308282676391067 0.1817 0.2491 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F01 compound treatment 0.07 0.199 0.28 0.133 0.204 0.4 -0.076 -0.025938564026647 -0.0499583793638278 0.3679 0.742 1161969 TimTec1_002575 CN(C)c1ccc(cc1)C2ON2[C@H]3CC[C@H](O)CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F02 compound treatment 0.355 0.484 0.69 0.469 0.54 1.07 0.488 0.538061435973353 1.03632095098973 1.612 0.9834 1195693 TimTec1_002576 COc1ccc(cc1OC)C2OC(=O)C(=C(O)C2(C)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F03 compound treatment 0.178 0.307 0.44 0.452 0.523 1.03 0.38 0.430061435973353 0.828310015390109 1.3273 0.9516 3210934 TimTec1_002577 CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)\C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F04 compound treatment -1.418 -1.29 -1.83 -0.627 -0.556 -1.1 -0.551 -0.500938564026647 -0.964821290565845 -2.2481 -0.9594 1326441 TimTec1_002578 Nc1nonc1OCc2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F05 compound treatment -0.554 -0.425 -0.6 -0.105 -0.0336 -0.07 -0.099 -0.048938564026647 -0.0942570045378202 -0.4412 -0.7179 3210935 TimTec1_002579 Clc1ccc(/C=N/N2C(=O)CNC2=O)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F06 compound treatment -0.586 -0.457 -0.65 0.019 0.0904 0.18 -0.212 -0.161938564026647 -0.311898076044827 -0.4518 -0.6088 3083845 TimTec1_002580 CCOC(=O)c1cc(C)[nH]c(=S)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F07 compound treatment 0.19 0.319 0.45 0.308 0.379 0.75 0.415 0.465061435973353 0.895720966741837 1.2119 0.9672 3210936 TimTec1_002581 CCOC(=O)C1C(C)NC(=O)N=C1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F08 compound treatment -0.316 -0.187 -0.27 -0.597 -0.526 -1.04 -0.044 0.006061435973353 0.011674490443466 -0.7456 -0.696 1507322 TimTec1_002582 COc1ccc(cc1OC)C(=O)CSc2nc(N)cc(=O)[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F09 compound treatment -0.118 0.0114 0.02 -0.117 -0.0456 -0.09 -0.071 -0.020938564026647 -0.0403282434564381 -0.0659 -0.6591 1564107 TimTec1_002583 Oc1ccccc1SCC(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F10 compound treatment -0.13 -5.91E-4 0.0 -1.642 -1.57 -3.1 -1.214 -1.16393856402665 -2.24177731188571 -3.0852 -0.8063 1190430 TimTec1_002584 OC(=O)c1ccccc1c2nnn[nH]2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F11 compound treatment 0.347 0.476 0.68 -0.507 -0.436 -0.86 -0.577 -0.526938564026647 -1.01489799728427 -0.6914 -0.4632 3210937 TimTec1_002585 Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/3\SCC(=O)N3CC=C)cc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F12 compound treatment 0.045 0.174 0.25 -0.094 -0.0226 -0.04 -0.122 -0.071938564026647 -0.138555629711813 0.0375 0.1302 3210938 TimTec1_002586 COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C1c3cccs3)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F13 compound treatment -0.38 -0.251 -0.36 -0.185 -0.114 -0.22 -0.207 -0.156938564026647 -0.302267940137437 -0.5097 -0.9835 1386655 TimTec1_002587 COc1ccc(OC)c(c1)C(=O)COc2ccccc2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F14 compound treatment -0.054 0.0754 0.11 -0.062 0.00944 0.02 -0.301 -0.250938564026647 -0.483314495196362 -0.2064 -0.4166 1502288 TimTec1_002588 Nc1nc(=O)n(CCC#N)cc1F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F15 compound treatment -0.2 -0.0706 -0.1 0.148 0.219 0.43 -0.254 -0.203938564026647 -0.3927912176669 -0.0346 -0.0583 1508658 TimTec1_002589 CSC1=C(C#N)C2(CCCCC2)C3=C(CCC3)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F16 compound treatment -0.28 -0.151 -0.21 -0.196 -0.125 -0.25 0.337 0.387061435973353 0.745490846586558 0.1648 0.2025 1232692 TimTec1_002590 Cc1cccc(C)c1NC(=O)C(NC(=O)c2ccc(cc2)n3cnnn3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F17 compound treatment -0.465 -0.336 -0.48 -0.286 -0.215 -0.42 -0.264 -0.213938564026647 -0.412051489481679 -0.758 -0.9979 3083851 TimTec1_002591 COc1ccc(Cl)cc1C(=O)NN2C(=CC(C)(C)NC2=S)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F18 compound treatment -0.042 0.0874 0.12 0.03 0.101 0.2 -0.037 0.013061435973353 0.0251566807138115 0.2019 0.8518 3210939 TimTec1_002592 FC(F)(F)C1(N=C(OC(=N1)N2CCOCC2)N3CCOCC3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F19 compound treatment -0.258 -0.129 -0.18 -0.431 -0.36 -0.71 -0.24 -0.189938564026647 -0.365826837126209 -0.7267 -0.8869 3083853 TimTec1_002593 NC1=NC(=O)C(CC(=O)O)CS1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F20 compound treatment -0.087 0.0424 0.06 0.228 0.299 0.59 0.016 0.066061435973353 0.127236121332142 0.4496 0.7398 1554458 TimTec1_002594 CCOC(=O)C1(CCN(CCC(=O)Nc2ccc(cc2)C(=O)OC)CC1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F21 compound treatment 0.16 0.289 0.41 0.048 0.119 0.24 0.122 0.172061435973353 0.331395002568803 0.5651 0.9766 1231612 TimTec1_002595 COc1ccc(cc1)C2C(C)C3(O)CC(C#N)(C(=O)N3)C2(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F22 compound treatment -0.12 0.00941 0.01 -0.3 -0.229 -0.45 -0.421 -0.370938564026647 -0.714437756973714 -0.6653 -0.7872 1368021 TimTec1_002596 CC(=O)N(CCOc1ccccc1)CCOc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F23 mock treatment -0.043 0.0864 0.12 0.136 0.207 0.41 0.09 0.140061435973353 0.269762132761509 0.4632 0.9161 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 F24 mock treatment 0.0 0.129 0.18 0.0 0.0714 0.14 -0.039 0.011061435973353 0.0213046263508557 0.2 0.8589 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G01 compound treatment 0.633 0.762 1.08 0.292 0.363 0.72 0.152 0.202061435973353 0.389175818013141 1.2648 0.9321 1248844 TimTec1_002597 Cc1ccc(o1)C(=O)NCC2CCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G02 compound treatment -0.435 -0.306 -0.43 -0.403 -0.332 -0.65 -0.262 -0.211938564026647 -0.408199435118723 -0.8645 -0.9764 3210940 TimTec1_002598 S=C(Nc1ccccc1)Nc2cccc(C#N)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G03 compound treatment -0.141 -0.0116 -0.02 0.224 0.295 0.58 0.206 0.256061435973353 0.493181285812949 0.612 0.801 1385961 TimTec1_002599 Cc1ccc(cc1C)C(=O)COC(=O)c2ccc(cc2)c3nnc(o3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G04 compound treatment -0.212 -0.0826 -0.12 -0.041 0.0304 0.06 -0.032 0.018061435973353 0.0347868166212012 -0.013 -0.0954 1301988 TimTec1_002600 Brc1c(OCC(=O)NCc2ccccc2)ccc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G05 compound treatment -0.154 -0.0246 -0.03 -0.075 -0.00356 -0.01 -0.208 -0.157938564026647 -0.304193967318915 -0.1999 -0.6526 3210941 TimTec1_002601 O=C1CNC(=O)N1/N=C/2\C(=O)Nc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G06 compound treatment -0.135 -0.00559 -0.01 -1.803 -1.73 -3.42 -1.156 -1.10593856402665 -2.13006773535999 -3.2083 -0.7965 3083899 TimTec1_002602 COc1ccc(CCNCc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G07 compound treatment -0.91 -0.781 -1.11 -0.662 -0.591 -1.17 -0.738 -0.687938564026647 -1.32498837350222 -2.079 -0.9971 3083901 TimTec1_002603 Cc1c(C#N)c(=O)n(nc1C(=O)O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G08 compound treatment 0.149 0.278 0.4 -0.283 -0.212 -0.42 -0.09 -0.039938564026647 -0.0769227599045188 -0.0571 -0.0983 3210942 TimTec1_002604 Cn1ccnc1C(O)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G09 compound treatment 0.092 0.221 0.31 -0.158 -0.0866 -0.17 -0.264 -0.213938564026647 -0.412051489481679 -0.1548 -0.2836 3210943 TimTec1_002605 CCCN1C(=O)/C(=C\2/C(=O)N(CC=C)c3ccccc23)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G10 compound treatment 0.105 0.234 0.33 -0.25 -0.179 -0.35 -0.114 -0.063938564026647 -0.123147412259989 -0.0822 -0.1643 3083904 TimTec1_002606 NC(=O)c1cccc(/N=C/c2ccc3ccccc3c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G11 compound treatment 0.297 0.426 0.61 -1.554 -1.48 -2.93 -2.108 -2.05793856402665 -3.96364561212699 -3.6285 -0.7309 3210944 TimTec1_002607 CCOc1ccccc1/C=N/c2ccc(cc2)S(=O)(=O)N3CCc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G12 compound treatment 0.394 0.523 0.74 -0.478 -0.407 -0.8 -0.414 -0.363938564026647 -0.700955566703369 -0.4385 -0.3374 3083906 TimTec1_002608 Cc1ccc(C)c(/N=C/c2ccc(C#N)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G13 compound treatment -0.544 -0.415 -0.59 -0.53 -0.459 -0.91 -0.197 -0.146938564026647 -0.283007668322658 -1.0265 -0.9191 3210945 TimTec1_002609 Oc1ccccc1c2cc(n(n2)c3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G14 compound treatment 0.429 0.558 0.79 0.271 0.342 0.68 0.261 0.311061435973353 0.599112780794235 1.1947 0.9933 3083907 TimTec1_002610 Oc1c(Cl)cc(Cl)cc1/C=N/c2sc3CCCc3c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G15 compound treatment -0.485 -0.356 -0.51 -0.169 -0.0976 -0.19 -0.081 -0.030938564026647 -0.0595885152712175 -0.4375 -0.8038 1229191 TimTec1_002611 Nc1ccc(cc1)C(=O)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G16 compound treatment -0.293 -0.164 -0.23 -0.088 -0.0166 -0.03 0.017 0.067061435973353 0.12916214851362 -0.0786 -0.2932 1298485 TimTec1_002612 C=CCC(CC=C)(NC(=O)c1ccccc1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G17 compound treatment 0.269 0.398 0.57 -0.209 -0.138 -0.27 0.361 0.411061435973353 0.791715498942028 0.6273 0.6207 3210946 TimTec1_002613 CSc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G18 compound treatment -0.032 0.0974 0.14 -0.5 -0.429 -0.85 -0.5 -0.449938564026647 -0.866593904310471 -0.9089 -0.7456 3210947 TimTec1_002614 Cc1[nH]c2ccccc2c1/C=N/c3ccc(Cl)cc3C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G19 compound treatment 0.257 0.386 0.55 0.631 0.702 1.39 0.16 0.210061435973353 0.404584035464964 1.3515 0.8744 3083909 TimTec1_002615 COC(=O)CSc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G20 compound treatment 0.583 0.712 1.01 -0.161 -0.0896 -0.18 -0.167 -0.116938564026647 -0.22522685287832 0.3527 0.335 1173404 TimTec1_002616 COc1ccc2ccccc2c1C(O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G21 compound treatment 1.194 1.32 1.72 0.747 0.818 1.62 1.382 1.43206143597335 2.33326604483965 3.2742 0.9863 3083910 TimTec1_002617 CCN(CC)c1ccc(/N=C/c2cccs2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G22 compound treatment 0.167 0.296 0.42 0.616 0.687 1.36 0.013 0.063061435973353 0.121458039787708 1.0971 0.7691 3210948 TimTec1_002618 CN1C(=O)/C(=C\c2c(O)c3ccccc3n(C)c2=O)/C(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G23 mock treatment -0.104 0.0254 0.04 0.363 0.434 0.86 0.068 0.118061435973353 0.227389534768994 0.6474 0.7289 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 G24 mock treatment -0.344 -0.215 -0.31 0.229 0.3 0.59 -0.042 0.00806143597335299 0.0155265448064219 0.1753 0.2627 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H01 compound treatment -0.07 0.0594 0.08 -0.224 -0.153 -0.3 0.242 0.292061435973353 0.562518264346154 0.1996 0.3101 1619414 TimTec1_002619 Cc1cc(no1)c2c(O)c3ccccc3n(C)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H02 compound treatment -0.175 -0.0456 -0.06 -0.103 -0.0316 -0.06 0.183 0.233061435973353 0.448882660638956 0.1858 0.4058 1650607 TimTec1_002620 CC1C(OC(=O)C2(CCCCC2)C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H03 compound treatment 0.136 0.265 0.38 0.618 0.689 1.36 0.362 0.412061435973353 0.793641526123506 1.462 0.9023 1490854 TimTec1_002621 O=COCC1OC(OC=O)C(Nc2ccccc2)C(OC=O)C1OC=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H04 compound treatment 0.048 0.177 0.25 -0.427 -0.356 -0.7 0.066 0.116061435973353 0.223537480406039 -0.1306 -0.1678 1609235 TimTec1_002622 Fc1ccc(CSc2nc3cccnc3[nH]2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H05 compound treatment -1.887 -1.76 -2.5 -1.262 -1.19 -2.35 -1.206 -1.15593856402665 -2.22636909443389 -4.0854 -0.9989 3211069 TimTec1_002623 C/C(=N\N1C(=O)CC(=O)NC1=S)/c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H06 compound treatment 0.547 0.676 0.96 0.16 0.231 0.46 -0.2 -0.149938564026647 -0.288785749867091 0.6523 0.5913 3083914 TimTec1_002624 CC1SC(NC1=O)c2ccc(F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H07 compound treatment -0.386 -0.257 -0.36 -0.209 -0.138 -0.27 -0.263 -0.212938564026647 -0.410125462300201 -0.6042 -0.9866 1308303 TimTec1_002625 CCOC(=O)c1cccc(c1)C(=O)NC2=CC(=O)CC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H08 compound treatment -0.533 -0.404 -0.57 -0.301 -0.23 -0.45 -0.312 -0.261938564026647 -0.50450079419262 -0.8843 -0.9954 3083916 TimTec1_002626 COc1ccc(cc1)C(=O)c2nocc2C(=O)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H09 compound treatment 0.48 0.609 0.87 0.078 0.149 0.3 0.182 0.232061435973353 0.446956633457479 0.9287 0.9117 1428534 TimTec1_002627 O=c1oc2ccccc2cc1C3=NC(=S)NC(C3)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H10 compound treatment -0.519 -0.39 -0.55 0.023 0.0944 0.19 0.143 0.193061435973353 0.371841573379839 0.0025 0.0037 1170391 TimTec1_002628 NC(=O)CN1C(=O)c2cccc3cccc1c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H11 compound treatment -0.135 -0.00559 -0.01 0.055 0.126 0.25 0.159 0.209061435973353 0.402658008283486 0.372 0.7851 3211070 TimTec1_002629 S=c1nc(/N=C/c2ccco2)cc(/N=C/c3ccco3)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H12 compound treatment 0.15 0.279 0.4 0.113 0.184 0.36 0.014 0.064061435973353 0.123384066969186 0.5108 0.924 1704493 TimTec1_002630 Cc1cc2OC(=C(C#N)C3(C(=O)N(CC(=O)O)c4ccccc43)c2c(=O)o1)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H13 compound treatment 0.0 0.129 0.18 0.0 0.0714 0.14 -0.237 -0.186938564026647 -0.360048755581775 -0.0202 -0.0472 1554929 TimTec1_002631 O=C(Oc1cccnc1)c2cc3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H14 compound treatment -0.055 0.0744 0.11 0.238 0.309 0.61 0.273 0.323061435973353 0.62222510697197 0.7731 0.8801 1212825 TimTec1_002632 Cc1[nH]c2ccccc2c1CCN3C(=O)CCC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H15 compound treatment -0.552 -0.423 -0.6 -0.495 -0.424 -0.84 -0.113 -0.062938564026647 -0.121221385078511 -0.8997 -0.8677 1243289 TimTec1_002633 COC(=O)C1=C(C)N(C(=O)C1)c2ccc(cc2)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H16 compound treatment -0.349 -0.22 -0.31 -0.13 -0.0586 -0.12 0.154 0.204061435973353 0.393027872376096 -0.0201 -0.039 1495691 TimTec1_002634 CC(O)(C#CCN1CCCCC1)C2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H17 compound treatment -0.2 -0.0706 -0.1 0.053 0.124 0.25 -0.231 -0.180938564026647 -0.348492592492907 -0.1173 -0.2678 1405861 TimTec1_002635 CCN(CC)C(=O)CSc1nc2CCCCc2cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H18 compound treatment 0.169 0.298 0.42 -0.299 -0.228 -0.45 -0.23 -0.179938564026647 -0.346566565311429 -0.2146 -0.3028 3083985 TimTec1_002636 CCc1c(C)nc(N)nc1S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H19 compound treatment 0.11 0.239 0.34 0.667 0.738 1.46 0.307 0.357061435973353 0.68771003114222 1.4354 0.8712 1285150 TimTec1_002637 CC1(O)NC(=O)C2(C#N)C(C#N)(C#N)C21c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H20 compound treatment -0.353 -0.224 -0.32 -0.275 -0.204 -0.4 -0.1 -0.049938564026647 -0.0961830317192982 -0.4711 -0.9036 1677097 TimTec1_002638 Cc1nc(C(=O)N)c(N)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H21 compound treatment 0.231 0.36 0.51 -0.905 -0.834 -1.65 -0.303 -0.252938564026647 -0.487166549559318 -0.9357 -0.5223 1163471 TimTec1_002639 COC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H22 compound treatment -0.125 0.00441 0.01 0.034 0.105 0.21 -0.029 0.021061435973353 0.040564898165635 0.1472 0.6939 3083989 TimTec1_002640 Cc1cc(C)n(CNc2nccs2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H23 mock treatment 0.24 0.369 0.53 0.169 0.24 0.47 0.092 0.142061435973353 0.273614187124465 0.7353 0.9688 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 H24 mock treatment -0.051 0.0784 0.11 0.041 0.112 0.22 0.016 0.066061435973353 0.127236121332142 0.266 0.953 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I01 compound treatment 0.026 0.155 0.22 -0.091 -0.0196 -0.04 0.271 0.321061435973353 0.618373052609015 0.4623 0.7028 1611631 TimTec1_002641 O=C(Nc1ccccc1)Nc2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I02 compound treatment 0.207 0.336 0.48 0.488 0.559 1.1 0.699 0.749061435973353 1.44271268628157 1.7468 0.9297 1685279 TimTec1_002642 COc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I03 compound treatment 0.208 0.337 0.48 0.068 0.139 0.28 0.124 0.174061435973353 0.335247056931759 0.6295 0.9733 1725903 TimTec1_002643 CCOC(=O)C(C)Oc1ccc2oc(=O)cc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I04 compound treatment 0.901 1.03 1.47 1.427 1.5 2.46 0.647 0.697061435973353 1.34255927284472 3.0404 0.9618 1725678 TimTec1_002644 Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I05 compound treatment -0.356 -0.227 -0.32 -0.532 -0.461 -0.91 -0.389 -0.338938564026647 -0.65280488716642 -1.0879 -0.9339 3083992 TimTec1_002645 CN(C)c1ccc(/C=N/N2C(=O)CNC2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I06 compound treatment -0.741 -0.612 -0.87 -0.03 0.0414 0.08 -0.017 0.033061435973353 0.0636772243433702 -0.418 -0.4774 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I07 compound treatment -0.213 -0.0836 -0.12 0.024 0.0954 0.19 0.093 0.143061435973353 0.275540214305943 0.1993 0.5624 1159008 TimTec1_002647 O=C(CSc1ncnc2[nH]cnc12)NCCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I08 compound treatment 0.064 0.193 0.27 -0.08 -0.00856 -0.02 0.0 0.050061435973353 0.096419686428495 0.2047 0.7012 3211072 TimTec1_002648 Cc1ccc(/N=C/c2ccc(Br)s2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I09 compound treatment 0.19 0.319 0.45 -0.127 -0.0556 -0.11 -0.026 0.024061435973353 0.0463429797100688 0.2256 0.4805 1275751 TimTec1_002649 Cc1cccc(c1)N(CC(=O)Nc2ccc3c(c2)oc4ccccc43)S(=O)(=O)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I10 compound treatment -0.414 -0.285 -0.4 -0.768 -0.697 -1.38 -1.228 -1.17793856402665 -2.26874169242641 -2.3375 -0.871 3083996 TimTec1_002650 COc1ccc(/N=C/c2ccc3ccccc3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I11 compound treatment 0.449 0.578 0.82 -0.529 -0.458 -0.9 -1.307 -1.25693856402665 -2.42089783976316 -1.4445 -0.5327 3211073 TimTec1_002651 CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3C)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I12 compound treatment 0.096 0.225 0.32 0.15 0.221 0.44 0.315 0.365061435973353 0.703118248594043 0.8434 0.95 3083998 TimTec1_002652 Cc1cccc(/C=N/c2cccc(O)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I13 compound treatment 0.114 0.243 0.35 0.333 0.404 0.8 0.045 0.095061435973353 0.183090909595002 0.7666 0.8619 3083999 TimTec1_002653 O=c1n(OCc2ccccc2)c(SCc3ccccc3)nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I14 compound treatment -0.818 -0.689 -0.98 -0.963 -0.892 -1.76 -0.828 -0.777938564026647 -1.49833081983523 -2.4467 -0.9746 3211074 TimTec1_002654 Cc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I15 compound treatment 0.561 0.69 0.98 0.474 0.545 1.08 -0.238 -0.187938564026647 -0.361974782763253 0.9795 0.6524 3211075 TimTec1_002655 O=C(Nc1ccccc1)Nc2ccc(cc2)C(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I16 compound treatment -0.277 -0.148 -0.21 -0.185 -0.114 -0.22 -0.324 -0.273938564026647 -0.527613120370355 -0.5552 -0.9095 1270363 TimTec1_002656 Cc1ccc(cc1)S(=O)(=O)NC(CC=C)(CC=C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I17 compound treatment -0.079 0.0504 0.07 -0.053 0.0184 0.04 0.0 0.050061435973353 0.096419686428495 0.1181 0.9405 3211076 TimTec1_002657 N#Cc1ccc(/C=N/c2cccc3c(\N=C\c4ccc(C#N)cc4)cccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I18 compound treatment -0.155 -0.0256 -0.04 -0.072 -5.62E-4 0.0 -0.16 -0.109938564026647 -0.211744662607974 -0.1439 -0.6698 3084003 TimTec1_002658 NC(=O)c1ccccc1/N=C/c2ccc(O)c(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I19 compound treatment -0.207 -0.0776 -0.11 -0.19 -0.119 -0.23 -0.342 -0.291938564026647 -0.562281609636958 -0.5235 -0.8457 3211077 TimTec1_002659 Oc1ccc(Br)cc1/C=N/Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I20 compound treatment -0.057 0.0724 0.1 0.52 0.591 1.17 0.348 0.398061435973353 0.766677145582815 1.1763 0.8398 1542526 TimTec1_002660 COc1cc(CNc2ccccc2)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I21 compound treatment -0.148 -0.0186 -0.03 -0.193 -0.122 -0.24 0.22 0.270061435973353 0.52014566635364 0.1465 0.2554 3211078 TimTec1_002661 N#Cc1cccc(/N=C/c2ccc3OCOc3c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I22 compound treatment 0.33 0.459 0.65 -0.109 -0.0376 -0.07 -0.307 -0.256938564026647 -0.49487065828523 0.0486 0.059 1646643 TimTec1_002662 CCn1c(=O)c(C(C)Nc2ccco2)c(O)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I23 mock treatment -0.231 -0.102 -0.14 -0.555 -0.484 -0.95 0.163 0.213061435973353 0.410362117009398 -0.3977 -0.3791 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 I24 mock treatment 0.123 0.252 0.36 -0.083 -0.0116 -0.02 0.125 0.175061435973353 0.337173084113236 0.3887 0.7885 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J01 compound treatment -0.821 -0.692 -0.98 1.123 1.19 2.23 0.529 0.579061435973353 1.11528806543032 1.3621 0.5086 1132674 TimTec1_002663 CCC1=CC(=NC(C)CN1)c2c(O)c3ccccc3n(C)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J02 compound treatment -0.478 -0.349 -0.5 -0.317 -0.246 -0.48 -0.07 -0.019938564026647 -0.0384022162749602 -0.5883 -0.8471 3084072 TimTec1_002664 OC(=O)c1ccc2nsnc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J03 compound treatment -0.616 -0.487 -0.69 -0.097 -0.0256 -0.05 -0.062 -0.011938564026647 -0.0229939988231368 -0.4418 -0.6366 1532331 TimTec1_002665 Fc1ccc(cc1)N2C(=S)N=C(CC23C(=O)Nc4ccccc43)c5ccc(F)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J04 compound treatment 0.013 0.142 0.2 -0.255 -0.184 -0.36 0.452 0.502061435973353 0.96698397245652 0.4659 0.4428 3084075 TimTec1_002666 FC(F)(F)c1ccc2n(Cc3ccccc3)c(=O)c(=O)[nH]c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J05 compound treatment 0.258 0.387 0.55 0.089 0.16 0.32 0.227 0.277061435973353 0.533627856623985 0.809 0.975 1654151 TimTec1_002667 O=c1ccn(CN2CCCCC2)c(=O)n1CN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J06 compound treatment 0.308 0.437 0.62 -0.014 0.0574 0.11 0.059 0.109061435973353 0.210055290135693 0.5458 0.8194 1571522 TimTec1_002668 CN1NC2(CCCCC2)N(C1=S)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J07 compound treatment -0.541 -0.412 -0.59 -0.981 -0.91 -1.8 -0.723 -0.672938564026647 -1.29609796578005 -2.1231 -0.9268 3211079 TimTec1_002669 Oc1ccccc1/C=N/c2cc(ccc2O)S(=O)(=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J08 compound treatment -0.067 0.0624 0.09 -0.298 -0.227 -0.45 -0.159 -0.108938564026647 -0.209818635426496 -0.3282 -0.6537 1488051 TimTec1_002670 CC1CN(CCc2ccccc2)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J09 compound treatment -0.358 -0.229 -0.33 -0.097 -0.0256 -0.05 0.0 0.050061435973353 0.096419686428495 -0.1611 -0.4701 3211080 TimTec1_002671 C/C(=N\Cc1ccccn1)/c2c(O)c3ccccc3n(c4ccccc4)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J10 compound treatment 0.253 0.382 0.54 0.31 0.381 0.75 0.727 0.777061435973353 1.49664144736295 1.6128 0.9156 3084079 TimTec1_002672 OCCNC(=O)C1=NN=CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J11 compound treatment 0.044 0.173 0.25 0.03 0.101 0.2 -0.041 0.009061435973353 0.0174525719878998 0.2681 0.8426 1667994 TimTec1_002673 CC1=NN(C(=O)c2ccco2)C(O)(C1)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J12 compound treatment -0.016 0.113 0.16 -0.061 0.0104 0.02 -0.028 0.022061435973353 0.0424909253471129 0.1295 0.7709 3211081 TimTec1_002674 OC(=O)CCCNC1=NC2(CCCC2)Cc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J13 compound treatment -0.017 0.112 0.16 -0.035 0.0364 0.07 -0.424 -0.373938564026647 -0.720215838518148 -0.282 -0.3805 3209107 TimTec1_002675 NC(CCCNC(=N)N)C(=O)O.OC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J14 compound treatment -0.651 -0.522 -0.74 -0.147 -0.0756 -0.15 -0.081 -0.030938564026647 -0.0595885152712175 -0.5487 -0.7231 1608879 TimTec1_002676 NN(C(=O)C1CCCCC1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J15 compound treatment 0.169 0.298 0.42 0.426 0.497 0.98 0.554 0.604061435973353 1.16343874496727 1.4837 0.9387 1250350 TimTec1_002677 COc1cc(NC(=O)C)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J16 compound treatment -0.059 0.0704 0.1 -0.152 -0.0806 -0.16 0.2 0.250061435973353 0.481625122724081 0.244 0.472 1447389 TimTec1_002678 Cn1cnc2n(Cc3ccccc3)c(=O)[nH]c(=S)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J17 compound treatment -0.213 -0.0836 -0.12 0.018 0.0894 0.18 -0.129 -0.078938564026647 -0.152037819982158 -0.0544 -0.2081 1466505 TimTec1_002679 COCc1cc(O)n2c3ccccc3nc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J18 compound treatment -0.333 -0.204 -0.29 -0.779 -0.708 -1.4 -0.5 -0.449938564026647 -0.866593904310471 -1.4741 -0.883 1156263 TimTec1_002680 COC(=O)CC1(O)N(C(=CC1=O)c2ccc(C)cc2)c3ccccc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J19 compound treatment -0.493 -0.364 -0.52 -0.4 -0.329 -0.65 -0.694 -0.643938564026647 -1.24024317751719 -1.3891 -0.931 1548500 TimTec1_002681 CC1(C)CCCC(C)(C)N1OC(=O)c2ccc(N)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J20 compound treatment -0.182 -0.0526 -0.07 -0.712 -0.641 -1.26 -0.12 -0.069938564026647 -0.134703575348857 -0.8512 -0.668 3084081 TimTec1_002682 OC1(NN=C2C=Cc3ccccc3N21)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J21 compound treatment 0.296 0.425 0.6 -0.344 -0.273 -0.54 -0.241 -0.190938564026647 -0.367752864307687 -0.1738 -0.1955 1276203 TimTec1_002683 CNC(C)c1ccc2OCCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J22 compound treatment 0.063 0.192 0.27 -0.9 -0.829 -1.64 -0.284 -0.233938564026647 -0.450572033111238 -1.0467 -0.609 3084083 TimTec1_002684 C(N1CCNCC1)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J23 mock treatment -0.125 0.00441 0.01 0.045 0.116 0.23 -0.068 -0.017938564026647 -0.0345501619120044 0.1164 0.5005 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 J24 mock treatment -0.07 0.0594 0.08 -0.048 0.0234 0.05 0.085 0.135061435973353 0.260131996854119 0.2257 0.8136 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K01 compound treatment -0.473 -0.344 -0.49 0.28 0.351 0.69 0.309 0.359061435973353 0.691562085505176 0.5179 0.4731 3209108 TimTec1_002685 COc1ccc(cc1)C(=O)CSc2nc3cc(C)ccc3cc2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K02 compound treatment -0.618 -0.489 -0.69 -0.62 -0.549 -1.08 -0.34 -0.289938564026647 -0.558429555274002 -1.3488 -0.9616 3084085 TimTec1_002686 CCOc1ccc(/C=N/c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K03 compound treatment -0.317 -0.188 -0.27 -0.133 -0.0616 -0.12 0.016 0.066061435973353 0.127236121332142 -0.1507 -0.4717 1247383 TimTec1_002687 O=C(CSc1nc2cccnc2[nH]1)NC3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K04 compound treatment -0.782 -0.653 -0.93 -0.092 -0.0206 -0.04 -0.339 -0.288938564026647 -0.556503528092524 -0.8804 -0.8132 3084087 TimTec1_002688 COc1cccc(/N=C/c2ccc(O)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K05 compound treatment -0.931 -0.802 -1.14 -0.424 -0.353 -0.7 -0.382 -0.331938564026647 -0.639322696896075 -1.429 -0.9652 3209109 TimTec1_002689 O=C1CNC(=O)N1/N=C/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K06 compound treatment -0.519 -0.39 -0.55 -0.47 -0.399 -0.79 -0.676 -0.625938564026647 -1.20557468825059 -1.4702 -0.9531 1409322 TimTec1_002690 OCc1ccccc1CNCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K07 compound treatment 0.029 0.158 0.23 -0.099 -0.0276 -0.05 -0.353 -0.302938564026647 -0.583467908633215 -0.2383 -0.3795 3209110 TimTec1_002691 CCOC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K08 compound treatment -0.026 0.103 0.15 -0.705 -0.634 -1.25 -0.267 -0.216938564026647 -0.417829571026113 -0.8786 -0.6621 3084090 TimTec1_002692 Cc1ccc(/N=C/c2c[nH]c3ccccc23)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K09 compound treatment 0.369 0.498 0.71 -1.077 -1.01 -1.99 -0.892 -0.841938564026647 -1.62159655944982 -1.6734 -0.6292 1411633 TimTec1_002693 CC(NC(=O)c1cc(oc1C)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K10 compound treatment 0.262 0.391 0.56 -0.219 -0.148 -0.29 -0.065 -0.014938564026647 -0.0287720803675706 0.1365 0.217 3084091 TimTec1_002694 NC(=O)c1ccccc1/N=C/c2ccc3ccccc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K11 compound treatment 0.222 0.351 0.5 -1.275 -1.2 -2.38 -1.291 -1.24093856402665 -2.39008140485952 -2.4635 -0.723 3209111 TimTec1_002695 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K12 compound treatment -0.062 0.0674 0.1 -0.873 -0.802 -1.58 -0.746 -0.695938564026647 -1.34039659095404 -1.6323 -0.7862 3084157 TimTec1_002696 Cc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K13 compound treatment -0.5 -0.371 -0.53 0.438 0.509 1.01 -0.029 0.021061435973353 0.040564898165635 0.3 0.264 3084159 TimTec1_002697 COC(=O)CNC(=O)c1cc[nH]n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K14 compound treatment 0.29 0.419 0.6 0.622 0.693 1.37 0.253 0.303061435973353 0.583704563342412 1.4718 0.9179 1444507 TimTec1_002698 Cc1ccc(s1)C2N(CCN2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K15 compound treatment -0.521 -0.392 -0.56 -0.652 -0.581 -1.15 -0.286 -0.235938564026647 -0.454424087474193 -1.2456 -0.9207 3084162 TimTec1_002699 FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K16 compound treatment -0.087 0.0424 0.06 0.703 0.774 1.53 0.77 0.820061435973353 1.5794606161665 1.8296 0.8319 1914768 TimTec1_002700 C(=N/c1cccc2c(\N=C\c3ccco3)cccc12)\c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K17 compound treatment -1.133 -1.0 -1.43 -1.197 -1.13 -2.22 -1.129 -1.07893856402665 -2.07806500146009 -3.3067 -0.984 3209112 TimTec1_002701 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)Nc4ccccc4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K18 compound treatment -0.432 -0.303 -0.43 -0.276 -0.205 -0.4 -0.466 -0.415938564026647 -0.801108980140221 -0.9441 -0.9489 3209113 TimTec1_002702 Cc1ccc(/C=N/c2ccccc2OCc3ccccc3)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K19 compound treatment 0.387 0.516 0.73 0.308 0.379 0.75 0.286 0.336061435973353 0.647263460331183 1.2302 0.998 3084165 TimTec1_002703 N#Cc1cc2CCCc2nc1SCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K20 compound treatment -0.073 0.0564 0.08 -1.705 -1.63 -3.23 -1.0 -0.949938564026647 -1.82960749504944 -2.8723 -0.7744 1504412 TimTec1_002704 Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K21 compound treatment -0.414 -0.285 -0.4 0.5 0.571 1.13 -0.149 -0.098938564026647 -0.190558363611717 0.3078 0.2536 3084167 TimTec1_002705 CCOc1ccccc1/C=N/c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K22 compound treatment -0.073 0.0564 0.08 -0.791 -0.72 -1.42 -0.292 -0.241938564026647 -0.465980250563061 -1.043 -0.6966 3209114 TimTec1_002706 COc1cccc(c1)C(=O)N2N=C(O)C=CC2=C(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K23 mock treatment -0.042 0.0874 0.12 0.193 0.264 0.52 -0.012 0.038061435973353 0.0733073602507598 0.4155 0.7671 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 K24 mock treatment 0.014 0.143 0.2 -0.014 0.0574 0.11 0.063 0.113061435973353 0.217759398861605 0.3089 0.968 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L01 compound treatment -0.186 -0.0566 -0.08 0.364 0.435 0.86 0.069 0.119061435973353 0.229315561950472 0.5823 0.6518 1454168 TimTec1_002707 COc1cc(OC)nc(n1)C(=O)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L02 compound treatment -0.571 -0.442 -0.63 -0.196 -0.125 -0.25 0.055 0.105061435973353 0.202351181409781 -0.3877 -0.5506 1013845 TimTec1_002708 OC(=O)C1CCN(CC1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L03 compound treatment -0.228 -0.0986 -0.14 0.306 0.377 0.75 0.067 0.117061435973353 0.225463507587516 0.4795 0.6061 3084171 TimTec1_002709 SC1=N(/N=C/2\C(=O)Nc3ccccc23)C(=O)C4C=CC=CC4=N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L04 compound treatment -0.056 0.0734 0.1 0.195 0.266 0.53 0.242 0.292061435973353 0.562518264346154 0.6888 0.8862 1202182 TimTec1_002710 NC1=C(C#N)C(=C(C#N)C#N)C(O1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L05 compound treatment -0.421 -0.292 -0.41 0.538 0.609 1.2 -0.07 -0.019938564026647 -0.0384022162749602 0.4332 0.3402 1265429 TimTec1_002711 CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c3ccc(F)cc3O)C(=O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L06 compound treatment 0.063 0.192 0.27 -0.509 -0.438 -0.86 0.292 0.342061435973353 0.658819623420051 0.0395 0.0353 3084174 TimTec1_002712 COc1ccc(cc1OC)/C(=N/O)/c2nccc3cc(OC)c(OC)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L07 compound treatment 0.48 0.609 0.87 -1.76 -1.69 -3.33 0.648 0.698061435973353 1.34448530002619 -0.6485 -0.1754 1260243 TimTec1_002713 S=c1nc(c2ccco2)c3c(=S)[nH]c(=S)[nH]c3[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L08 compound treatment 0.03 0.159 0.23 -0.09 -0.0186 -0.04 0.0 0.050061435973353 0.096419686428495 0.1654 0.6641 1599464 TimTec1_002714 CC1CN(CCC1=O)C2CC(C)(C)NC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L09 compound treatment 0.259 0.388 0.55 0.397 0.468 0.92 0.015 0.065061435973353 0.125310094150664 0.9252 0.8531 1384770 TimTec1_002715 CN(C)c1ccc(cc1)C2OCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L10 compound treatment -0.484 -0.355 -0.5 -0.02 0.0514 0.1 -0.353 -0.302938564026647 -0.583467908633215 -0.5693 -0.732 1608667 TimTec1_002716 NC(=O)CNC(=O)c1ccc2ccccc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L11 compound treatment -0.152 -0.0226 -0.03 -2.0 -1.93 -3.81 -1.636 -1.58593856402665 -3.0545607824694 -3.9806 -0.8154 3209115 TimTec1_002717 COC(=O)CNS(=O)(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L12 compound treatment 0.297 0.426 0.61 -1.179 -1.11 -2.19 -0.969 -0.918938564026647 -1.76990065242362 -1.9344 -0.6722 1678540 TimTec1_002718 Clc1ccc2n(CCC(=O)n3c(=O)oc4cc(Cl)ccc34)c(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L13 compound treatment 0.279 0.408 0.58 -0.027 0.0444 0.09 -0.017 0.033061435973353 0.0636772243433702 0.4227 0.7155 1920767 TimTec1_002719 Cc1cc(c2ccco2)n(n1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L14 compound treatment -0.818 -0.689 -0.98 -0.1 -0.0286 -0.06 -0.345 -0.294938564026647 -0.568059691181391 -0.9258 -0.8169 3084178 TimTec1_002720 CCOC(=O)Cc1nnn[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L15 compound treatment -1.431 -1.3 -1.85 -1.712 -1.64 -3.24 -1.662 -1.61193856402665 -3.10463748918783 -4.7311 -0.9748 3209116 TimTec1_002721 Brc1ccc(cc1)C(=S)N2CCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L16 compound treatment -0.167 -0.0376 -0.05 -0.826 -0.755 -1.49 -0.111 -0.060938564026647 -0.117369330715555 -0.9588 -0.6411 1354769 TimTec1_002722 CC(C)COC(=O)NCc1ccc2OCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L17 compound treatment -0.782 -0.653 -0.93 0.029 0.1 0.2 -0.082 -0.031938564026647 -0.0615145424526954 -0.4567 -0.4803 3209117 TimTec1_002723 Cc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L18 compound treatment -0.138 -0.00859 -0.01 0.096 0.167 0.33 -0.122 -0.071938564026647 -0.138555629711813 0.1038 0.2895 71735 TimTec1_002724 COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L19 compound treatment 0.277 0.406 0.58 0.617 0.688 1.36 0.696 0.746061435973353 1.43693460473714 1.948 0.9453 3084252 TimTec1_002725 CC1(C)OC(=O)N(C1=C)c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L20 compound treatment 0.074 0.203 0.29 0.507 0.578 1.14 0.283 0.333061435973353 0.64148537878675 1.1967 0.8921 3084253 TimTec1_002726 CC(=O)N1C2CC(C=C2)C1(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L21 compound treatment 0.323 0.452 0.64 -0.137 -0.0656 -0.13 -0.373 -0.322938564026647 -0.621988452262774 -0.0625 -0.0691 1279868 TimTec1_002727 CCc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L22 compound treatment -0.345 -0.216 -0.31 -0.031 0.0404 0.08 -0.147 -0.096938564026647 -0.186706309248761 -0.2387 -0.6491 1355496 TimTec1_002728 Cc1ccc(CSCC(=O)Nc2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L23 mock treatment 0.045 0.174 0.25 0.216 0.287 0.57 0.014 0.064061435973353 0.123384066969186 0.5421 0.8584 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 L24 mock treatment 0.079 0.208 0.3 0.064 0.135 0.27 0.016 0.066061435973353 0.127236121332142 0.3989 0.9523 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M01 compound treatment -0.779 -0.65 -0.92 -0.075 -0.00356 -0.01 -0.119 -0.068938564026647 -0.132777548167379 -0.6139 -0.658 1520938 TimTec1_002729 Cn1c2ccccc2c3nn(c4ccccc4)c(=O)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M02 compound treatment -0.137 -0.00759 -0.01 -0.189 -0.118 -0.23 -0.056 -0.005938564026647 -0.0114378357342692 -0.1469 -0.6312 3209118 TimTec1_002730 NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc4ccccc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M03 compound treatment 1.286 1.42 1.77 1.455 1.53 2.48 0.477 0.527061435973353 1.01513465199347 3.0386 0.9467 3084256 TimTec1_002731 CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M04 compound treatment 0.03 0.159 0.23 0.626 0.697 1.38 0.621 0.671061435973353 1.29248256612629 1.6721 0.8791 3209119 TimTec1_002732 O=C(Nc1cccc(C#N)c1)/C=C/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M05 compound treatment -0.076 0.0534 0.08 0.169 0.24 0.47 0.342 0.392061435973353 0.755120982493948 0.7539 0.8422 3084258 TimTec1_002733 Cc1ccc(cc1)N2C(SCC2=O)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M06 compound treatment 0.15 0.279 0.4 -0.017 0.0544 0.11 0.166 0.216061435973353 0.416140198553832 0.5317 0.9084 3209120 TimTec1_002734 C=CCC1(CC=C)CCCCN1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M07 compound treatment 0.274 0.403 0.57 0.477 0.548 1.08 0.333 0.383061435973353 0.737786737860646 1.3823 0.9664 3209121 TimTec1_002735 Cc1nc(NCc2ccco2)c3cc(sc3n1)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M08 compound treatment -0.232 -0.103 -0.15 -0.46 -0.389 -0.77 -0.59 -0.539938564026647 -1.03993635064348 -1.1276 -0.867 3084261 TimTec1_002736 Ic1ccc(/N=C/c2ccc(C#N)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M09 compound treatment -0.192 -0.0626 -0.09 0.089 0.16 0.32 0.143 0.193061435973353 0.371841573379839 0.3462 0.6972 3209238 TimTec1_002737 COc1ccc(OC)c(/C=c/2\sc3nnc(c4ccccc4Cl)n3c2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M10 compound treatment -0.315 -0.186 -0.26 -0.618 -0.547 -1.08 -1.072 -1.02193856402665 -1.96828145211585 -1.9118 -0.8459 3084262 TimTec1_002738 COc1ccc(/N=C/c2ccccc2OCc3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M11 compound treatment 0.31 0.439 0.62 0.089 0.16 0.32 -0.195 -0.144938564026647 -0.279155613959702 0.3824 0.5072 3209239 TimTec1_002739 C/C(=N/CCO)/c1c([nH]n(c2nc3ccccc3s2)c1=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M12 compound treatment -0.043 0.0864 0.12 0.177 0.248 0.49 -0.043 0.007061435973353 0.013600517624944 0.362 0.7156 3084263 TimTec1_002740 Cc1ccccc1/C=N/c2ccccc2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M13 compound treatment -0.87 -0.741 -1.05 -0.061 0.0104 0.02 0.036 0.086061435973353 0.165756664961701 -0.5003 -0.4693 3209240 TimTec1_002741 COC(=O)N(C)c1ccccc1C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M14 compound treatment -0.571 -0.442 -0.63 -0.456 -0.385 -0.76 -0.608 -0.557938564026647 -1.07460483991009 -1.4213 -0.9749 3084265 TimTec1_002742 CCCOC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M15 compound treatment -0.757 -0.628 -0.89 -0.503 -0.432 -0.85 -0.167 -0.116938564026647 -0.22522685287832 -1.1372 -0.9067 1321825 TimTec1_002743 CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M16 compound treatment -0.808 -0.679 -0.96 -0.661 -0.59 -1.16 0.213 0.263061435973353 0.506663476083294 -0.9366 -0.5874 3084267 TimTec1_002744 COc1cc(/C=N/c2ccc(cc2)C(=O)c3ccccc3)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M17 compound treatment 0.074 0.203 0.29 -0.547 -0.476 -0.94 -0.691 -0.640938564026647 -1.23446509597276 -1.0879 -0.6895 1712191 TimTec1_002745 Cc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M18 compound treatment -1.23 -1.1 -1.56 -1.053 -0.982 -1.94 -0.772 -0.721938564026647 -1.39047329767247 -2.8252 -0.9903 3209241 TimTec1_002746 CCCC(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M19 compound treatment -0.352 -0.223 -0.32 -0.173 -0.102 -0.2 -0.341 -0.290938564026647 -0.56035558245548 -0.622 -0.9228 3084269 TimTec1_002747 Brc1ccc(/C=N/c2ccccc2C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M20 compound treatment 0.039 0.168 0.24 -0.418 -0.347 -0.68 -0.457 -0.406938564026647 -0.78377473550692 -0.7093 -0.6644 1423653 TimTec1_002748 COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M21 compound treatment 0.0 0.129 0.18 -0.358 -0.287 -0.57 0.038 0.088061435973353 0.169608719324656 -0.1225 -0.198 3084271 TimTec1_002749 Cc1nn(C(=S)N)c(O)c1C(C(C#N)C#N)c2cccc(Cl)c2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M22 compound treatment -0.674 -0.545 -0.77 -0.065 0.00644 0.01 -0.325 -0.274938564026647 -0.529539147551833 -0.7454 -0.7946 3209242 TimTec1_002750 NC(=O)Oc1ccc(I)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M23 mock treatment 0.05 0.179 0.26 0.074 0.145 0.29 -0.193 -0.142938564026647 -0.275303559596746 0.1541 0.3261 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 M24 mock treatment 0.548 0.677 0.96 -0.056 0.0154 0.03 0.0 0.050061435973353 0.096419686428495 0.6293 0.6498 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N01 compound treatment -0.672 -0.543 -0.77 -0.516 -0.445 -0.88 0.063 0.113061435973353 0.217759398861605 -0.8265 -0.6953 3083254 TimTec1_002751 Cc1cc2nnc(c3cccc4OCOc43)n2c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N02 compound treatment 0.672 0.801 1.14 0.684 0.755 1.49 0.667 0.717061435973353 1.38107981647428 2.3164 0.994 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N03 compound treatment -0.344 -0.215 -0.31 -0.145 -0.0736 -0.15 0.029 0.079061435973353 0.152274474691355 -0.1721 -0.4643 1231981 TimTec1_002753 Cc1ccc(cc1)C(=O)Cc2nc3ncccc3[nH]c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N04 compound treatment -0.5 -0.371 -0.53 0.034 0.105 0.21 -0.014 0.036061435973353 0.069455305887804 -0.1439 -0.2521 1274147 TimTec1_002754 Sc1nc(CCN2C(=O)c3ccccc3C2=O)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N05 compound treatment 0.148 0.277 0.39 0.475 0.546 1.08 0.222 0.272061435973353 0.523997720716596 1.1532 0.9133 3083260 TimTec1_002755 CC(=S)N1CCN(CC1)C(=S)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N06 compound treatment 0.175 0.304 0.43 0.705 0.776 1.53 0.561 0.611061435973353 1.17692093523761 1.8145 0.9161 1517166 TimTec1_002756 Cc1ccccc1N2C(=O)c3ccccc3NC2(C)CC(=O)NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N07 compound treatment 0.458 0.587 0.84 0.814 0.885 1.75 1.13 1.18006143597335 2.13964877223674 2.7269 0.9447 1118059 TimTec1_002757 Nn1c(=O)c(Cc2ccco2)n[nH]c1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N08 compound treatment 0.302 0.431 0.61 0.656 0.727 1.44 0.52 0.570061435973353 1.09795382079702 1.8173 0.9519 1361841 TimTec1_002758 CCOC(=O)C1=C(NC(=S)C(CC=C)(C#N)C1c2cccnc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N09 compound treatment -0.057 0.0724 0.1 -1.464 -1.39 -2.75 -0.453 -0.402938564026647 -0.776070626781008 -1.9761 -0.6912 3083263 TimTec1_002759 COC(=O)CNc1cc(C)c(cc1OC)C(O)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N10 compound treatment -0.096 0.0334 0.05 0.137 0.208 0.41 -0.173 -0.122938564026647 -0.236783015967187 0.1283 0.2689 1187305 TimTec1_002760 CCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N11 compound treatment 0.083 0.212 0.3 -0.357 -0.286 -0.56 -0.676 -0.625938564026647 -1.20557468825059 -0.8472 -0.6208 1455249 TimTec1_002761 CC(=O)Oc1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N12 compound treatment 0.225 0.354 0.5 0.063 0.134 0.27 0.042 0.092061435973353 0.177312828050568 0.5466 0.9163 1149353 TimTec1_002762 COc1ccc(cc1)C(C#N)N2N=C(C)CC2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N13 compound treatment -0.603 -0.474 -0.67 -0.193 -0.122 -0.24 -0.092 -0.041938564026647 -0.0807748142674747 -0.574 -0.7979 1491757 TimTec1_002763 Clc1cccc(NC(=O)C(NC=O)c2ccccc2Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N14 compound treatment 0.356 0.485 0.69 -0.2 -0.129 -0.25 0.238 0.288061435973353 0.554814155620243 0.5722 0.6212 3209243 TimTec1_002764 OC(=O)[C@@H]1CCCN1Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N15 compound treatment 0.447 0.576 0.82 0.412 0.483 0.95 -0.127 -0.076938564026647 -0.148185765619202 0.9387 0.741 3083267 TimTec1_002765 OC(=O)CCc1nnc(S)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N16 compound treatment -0.433 -0.304 -0.43 -0.41 -0.339 -0.67 -0.174 -0.123938564026647 -0.238709043148665 -0.773 -0.9304 1446498 TimTec1_002766 O=C(NC1CCCCCCCCCCC1)c2nc[nH]n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N17 compound treatment -1.048 -0.919 -1.31 -0.754 -0.683 -1.35 -0.575 -0.524938564026647 -1.01104594292132 -2.1159 -0.9926 3209244 TimTec1_002767 COc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N18 compound treatment 0.273 0.402 0.57 -0.022 0.0494 0.1 -0.126 -0.075938564026647 -0.146259738437724 0.3022 0.505 1206859 TimTec1_002768 Brc1cncc(c1)C(=O)Nc2ccc(cc2)C(=O)NC3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N19 compound treatment -0.06 0.0694 0.1 -0.34 -0.269 -0.53 -0.13 -0.079938564026647 -0.153963847163636 -0.3381 -0.6027 1560261 TimTec1_002769 COc1ccc(cc1)C2NCCc3cc(OC)c(OC)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N20 compound treatment -0.118 0.0114 0.02 0.857 0.928 1.83 0.733 0.783061435973353 1.50819761045182 1.9385 0.8166 3209245 TimTec1_002770 CN(C)c1nc(NCc2ccccc2)nc(Nc3ccc(OC(F)(F)F)cc3)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N21 compound treatment -2.935 -2.81 -3.99 -1.698 -1.63 -3.21 -1.39 -1.33993856402665 -2.58075809582583 -5.6473 -0.9848 1425208 TimTec1_002771 CN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N22 compound treatment -2.133 -2.0 -2.85 -1.898 -1.83 -3.61 -1.73 -1.67993856402665 -3.23560733752833 -5.595 -0.9954 3209246 TimTec1_002772 Nn1c(CSCc2ccccc2)nnc1CSCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N23 mock treatment 0.169 0.298 0.42 0.429 0.5 0.99 0.139 0.189061435973353 0.364137464653928 1.0257 0.9034 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 N24 mock treatment -0.289 -0.16 -0.23 -0.483 -0.412 -0.81 -0.493 -0.442938564026647 -0.853111714040125 -1.0927 -0.9107 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O01 compound treatment -0.339 -0.21 -0.3 0.073 0.144 0.29 -0.015 0.035061435973353 0.067529278706326 0.0316 0.0756 3083272 TimTec1_002773 C(Nc1nonc1c2ncon2)n3nnc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O02 compound treatment -0.018 0.111 0.16 0.246 0.317 0.63 0.132 0.182061435973353 0.350655274383582 0.6558 0.8916 3209247 TimTec1_002774 O=C(NC1CCCCC1)/C=C/c2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O03 compound treatment -0.389 -0.26 -0.37 -0.122 -0.0506 -0.1 -0.101 -0.050938564026647 -0.0981090589007761 -0.3274 -0.8294 3209248 TimTec1_002775 O=C(NCCc1ccccc1)c2c(/N=C/3\C(=O)Nc4ccccc34)sc5CCCCc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O04 compound treatment -0.298 -0.169 -0.24 0.06 0.131 0.26 0.339 0.389061435973353 0.749342900949514 0.4441 0.536 1468374 TimTec1_002776 OC(c1cccs1)c2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O05 compound treatment -0.062 0.0674 0.1 -0.027 0.0444 0.09 0.235 0.285061435973353 0.549036074075809 0.423 0.7497 3209249 TimTec1_002777 Clc1ccc(Cl)c(c1)N2C(SCC2=O)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O06 compound treatment -0.273 -0.144 -0.2 0.018 0.0894 0.18 -0.5 -0.449938564026647 -0.866593904310471 -0.5162 -0.5688 1257164 TimTec1_002778 Cc1ccc(C)c(NCc2ccccc2CO)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O07 compound treatment -0.082 0.0474 0.07 -0.656 -0.585 -1.15 -0.399 -0.348938564026647 -0.6720651589812 -1.0155 -0.7593 3083858 TimTec1_002779 Cc1nc2ccccc2nc1Sc3nnc(o3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O08 compound treatment 0.338 0.467 0.66 -0.361 -0.29 -0.57 -0.352 -0.301938564026647 -0.581541881451737 -0.2822 -0.2682 1918856 TimTec1_002780 Brc1ccc(/C=N/c2cccc3ccccc23)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O09 compound treatment 0.203 0.332 0.47 1.636 1.71 2.59 1.177 1.22706143597335 2.17885641779619 3.0257 0.8855 3209250 TimTec1_002781 COc1ccc(Br)cc1/C=C/2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O10 compound treatment 0.196 0.325 0.46 -0.375 -0.304 -0.6 -0.357 -0.306938564026647 -0.591172017359127 -0.4203 -0.4375 3209251 TimTec1_002782 N#Cc1ccc(/C=N/c2cccc(C#N)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O11 compound treatment 0.08 0.209 0.3 -0.848 -0.777 -1.53 -0.697 -0.646938564026647 -1.24602125906162 -1.4328 -0.7171 3083924 TimTec1_002783 CCN1C(=C)c2cc(C)cc(C)c2NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O12 compound treatment 0.16 0.289 0.41 -0.254 -0.183 -0.36 -0.185 -0.134938564026647 -0.259895342144922 -0.1206 -0.1991 3209252 TimTec1_002784 COc1ccc2ccccc2c1/C=N/c3ccccc3C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O13 compound treatment -0.043 0.0864 0.12 0.381 0.452 0.89 0.302 0.352061435973353 0.67807989523483 0.9782 0.867 1178846 TimTec1_002785 C=CCSc1nc2ccccc2c(=O)n1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O14 compound treatment 0.111 0.24 0.34 0.267 0.338 0.67 -1.604 -1.55393856402665 -2.99292791266211 -1.1448 -0.371 3209253 TimTec1_002786 Cc1ccc(/C=N/c2ccc(\N=C\c3ccc(C)s3)cc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O15 compound treatment 1.667 1.8 1.94 0.016 0.0874 0.17 0.03 0.080061435973353 0.154200501872833 1.3087 0.6699 1364793 TimTec1_002787 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc2sc(C)c(C)c2C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O16 compound treatment -0.682 -0.553 -0.79 -0.063 0.00844 0.02 -0.271 -0.220938564026647 -0.425533679752025 -0.6897 -0.7717 3209254 TimTec1_002788 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc(Cl)cc3)c1C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O17 compound treatment -0.437 -0.308 -0.44 -0.153 -0.0816 -0.16 -0.109 -0.058938564026647 -0.1135172763526 -0.411 -0.8569 1685792 TimTec1_002789 COc1ccc2c(Cl)c(sc2c1)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O18 compound treatment -0.736 -0.607 -0.86 -0.271 -0.2 -0.39 0.457 0.507061435973353 0.97661410836391 -0.1616 -0.1187 1138448 TimTec1_002790 O=C(CSc1nc2CCCCc2cc1C#N)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O19 compound treatment 0.446 0.575 0.82 -0.036 0.0354 0.07 -0.083 -0.032938564026647 -0.0634405696341733 0.4761 0.5781 3083928 TimTec1_002791 CSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O20 compound treatment 0.59 0.719 1.02 1.209 1.28 2.3 0.776 0.826061435973353 1.59101677925537 2.8362 0.9528 1253093 TimTec1_002792 CCOc1cccc(=O)c2c(C)n(c(C)c12)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O21 compound treatment 0.256 0.385 0.55 1.319 1.39 2.38 0.709 0.759061435973353 1.46197295809635 2.5361 0.8903 3083930 TimTec1_002793 Cc1ccc(/C=N/c2ccc3ccccc3c2)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O22 compound treatment -0.333 -0.204 -0.29 0.2 0.271 0.54 -0.532 -0.481938564026647 -0.928226774117765 -0.3936 -0.3545 3209255 TimTec1_002794 C/C(=N/Cc1nnc(C)s1)/c2cc3c(=O)n(C)c4ccccc4c3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O23 mock treatment 0.167 0.296 0.42 0.07 0.141 0.28 0.027 0.077061435973353 0.148422420328399 0.4902 0.9304 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 O24 mock treatment 0.178 0.307 0.44 -0.097 -0.0256 -0.05 -0.085 -0.034938564026647 -0.0672926239971292 0.1843 0.4142 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P01 compound treatment -0.233 -0.104 -0.15 0.043 0.114 0.23 0.036 0.086061435973353 0.165756664961701 0.1411 0.4458 3083932 TimTec1_002795 CC1=CC(=O)N(C1=O)c2c(C)n(C)n(c3ccccc3)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P02 compound treatment -0.333 -0.204 -0.29 0.032 0.103 0.2 0.053 0.103061435973353 0.198499127046825 0.0654 0.1611 3209256 TimTec1_002796 CNC(=O)C1=CC(C)(C)NC1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P03 compound treatment -0.185 -0.0556 -0.08 -0.588 -0.517 -1.02 -0.338 -0.287938564026647 -0.554577500911046 -0.9547 -0.8204 1174268 TimTec1_002797 Clc1ccc(cc1)C(=O)C(=C2NCCN2)n3ccnc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P04 compound treatment -0.267 -0.138 -0.2 -0.178 -0.107 -0.21 -0.233 -0.182938564026647 -0.352344646855863 -0.4378 -0.9631 1414675 TimTec1_002798 O=C(N1CCOCC1)c2ccc(s2)C(=O)N3CCOCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P05 compound treatment -0.103 0.0264 0.04 -0.11 -0.0386 -0.08 -0.23 -0.179938564026647 -0.346566565311429 -0.2224 -0.6232 1495833 TimTec1_002799 COc1ccc(cc1OC)C2=NCC(C)(C)CO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P06 compound treatment -0.266 -0.137 -0.19 -0.307 -0.236 -0.47 0.0 0.050061435973353 0.096419686428495 -0.325 -0.6333 1678629 TimTec1_002800 COc1ccccc1C(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P07 compound treatment 0.639 0.768 1.09 -0.16 -0.0886 -0.17 -0.266 -0.215938564026647 -0.415903543844635 0.2897 0.2451 3209373 TimTec1_002801 CCn1c(=O)c(C/2=NNC(=O)\C2=C/Nc3nccs3)c(O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P08 compound treatment -1.895 -1.77 -2.51 -1.495 -1.42 -2.81 -2.149 -2.09893856402665 -4.04261272656758 -5.4062 -0.9782 1514165 TimTec1_002802 COc1ccc(cc1)C(C#N)N2CCC(=N2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P09 compound treatment 0.241 0.37 0.53 0.566 0.637 1.26 0.563 0.613061435973353 1.18077298960057 1.7124 0.9491 1619442 TimTec1_002803 Nc1cccc(c1)C(=O)OC2CSC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P10 compound treatment -0.293 -0.164 -0.23 0.25 0.321 0.63 0.0 0.050061435973353 0.096419686428495 0.2878 0.4215 3209374 TimTec1_002804 Cc1ccc(OCCSc2ncnc3ccccc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P11 compound treatment -0.485 -0.356 -0.51 -1.824 -1.75 -3.46 -1.507 -1.45693856402665 -2.80610327605875 -3.9099 -0.872 1011278 TimTec1_002805 OC(=O)CNC(=O)c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P12 compound treatment -0.034 0.0954 0.14 -0.831 -0.76 -1.5 -0.71 -0.659938564026647 -1.27105961242084 -1.5214 -0.7721 1159913 TimTec1_002806 NC(=O)Cc1nc(cs1)c2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P13 compound treatment 0.766 0.895 1.27 0.44 0.511 1.01 0.373 0.423061435973353 0.814827825119764 1.7885 0.9839 1445633 TimTec1_002807 CCC(=O)c1cc2OCCOc2cc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P14 compound treatment -0.774 -0.645 -0.92 -0.973 -0.902 -1.78 -0.58 -0.529938564026647 -1.02067607882871 -2.1462 -0.955 1468490 TimTec1_002808 Clc1ccccc1CS(=O)(=O)NCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P15 compound treatment -0.452 -0.323 -0.46 0.029 0.1 0.2 0.083 0.133061435973353 0.256279942491163 -0.0023 -0.0042 1633493 TimTec1_002809 NC(=O)CSc1nc2ccccc2c(=O)n1Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P16 compound treatment 0.584 0.713 1.01 0.655 0.726 1.43 0.636 0.686061435973353 1.32137297384846 2.1766 0.9902 1674139 TimTec1_002810 CCOC(=O)C1CCN(CC1)C(=O)c2ccccc2NC(=O)c3cccc(F)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P17 compound treatment -0.638 -0.509 -0.72 -0.157 -0.0856 -0.17 0.16 0.210061435973353 0.404584035464964 -0.2814 -0.3328 1703140 TimTec1_002811 OC(=O)CC1(O)N(Cc2ccccc2)C(=O)c3ccccc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P18 compound treatment -0.343 -0.214 -0.3 0.568 0.639 1.26 0.391 0.441061435973353 0.849496314386366 1.0441 0.6728 3084009 TimTec1_002812 COC(=O)C1=CN(CC2CCCO2)C=C(C1c3ccccc3)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P19 compound treatment -0.143 -0.0136 -0.02 0.162 0.233 0.46 0.031 0.081061435973353 0.156126529054311 0.3451 0.7086 1281947 TimTec1_002813 CC1(C)CC(=C(C(C(C#N)C(=S)N)c2ccc(Cl)cc2)C(=O)C1)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P20 compound treatment -0.344 -0.215 -0.31 -0.15 -0.0786 -0.16 0.221 0.271061435973353 0.522071693535118 0.0357 0.0572 3084012 TimTec1_002814 O=C(C1CCCC1)N2CCc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P21 compound treatment 0.029 0.158 0.23 0.32 0.391 0.77 0.189 0.239061435973353 0.460438823727824 0.8421 0.908 1667550 TimTec1_002815 Clc1ccccc1C(=O)N2CC(CC2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P22 compound treatment -0.232 -0.103 -0.15 -0.306 -0.235 -0.46 0.224 0.274061435973353 0.527849775079552 -0.0469 -0.0653 3209375 TimTec1_002816 CC(=O)NC(N1CCCCC1c2cccnc2)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P23 mock treatment -0.135 -0.00559 -0.01 0.077 0.148 0.29 0.0 0.050061435973353 0.096419686428495 0.2203 0.7137 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2070 P24 mock treatment 0.067 0.196 0.28 -0.043 0.0284 0.06 0.267 0.317061435973353 0.610668943883103 0.5462 0.8106 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A01 compound treatment -0.389 -0.26 -0.37 -0.588 -0.517 -1.02 0.411 0.461061435973353 0.888016858015925 -0.2893 -0.2063 1179025 TimTec1_005281 Cc1c(OCC(=O)O)ccc2c(cc(=O)oc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A02 compound treatment -0.257 -0.128 -0.18 0.152 0.223 0.44 0.0 0.050061435973353 0.096419686428495 0.2056 0.4226 3212329 TimTec1_005282 C(=N/c1nccs1)\c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A03 compound treatment -0.75 -0.621 -0.88 -0.405 -0.334 -0.66 -0.74 -0.689938564026647 -1.32884042786517 -1.6569 -0.9601 1341807 TimTec1_005283 CCc1cc2c(=O)c(c3nc4ccccc4s3)c(C)oc2c(CN(C)C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A04 compound treatment -0.515 -0.386 -0.55 -0.148 -0.0766 -0.15 -0.346 -0.295938564026647 -0.569985718362869 -0.7329 -0.9102 3086205 TimTec1_005284 Cc1cc(C)c(C#N)c(SCC(=O)c2ccccc2)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A05 compound treatment 0.782 0.911 1.3 -0.462 -0.391 -0.77 -0.312 -0.261938564026647 -0.50450079419262 0.0116 0.0073 1015158 TimTec1_005285 COC(=O)c1ccc(NN)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A06 compound treatment -0.696 -0.567 -0.81 -0.327 -0.256 -0.5 -0.291 -0.240938564026647 -0.464054223381583 -1.0244 -0.9684 1579854 TimTec1_005286 Nc1nc(cs1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A07 compound treatment -0.358 -0.229 -0.33 -0.32 -0.249 -0.49 -0.173 -0.122938564026647 -0.236783015967187 -0.6077 -0.9578 3086207 TimTec1_005287 CC(C)c1cc(I)c(C)cc1OC(=O)NC(=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A08 compound treatment -0.5 -0.371 -0.53 0.327 0.398 0.79 0.19 0.240061435973353 0.462364850909302 0.417 0.3957 1603281 TimTec1_005288 O=C(NCc1ccccc1)C2CCCN2C(=O)OCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A09 compound treatment -0.11 0.0194 0.03 0.463 0.534 1.06 0.213 0.263061435973353 0.506663476083294 0.9177 0.7838 1494738 TimTec1_005289 O=C(Cn1c(=S)[nH]c2ccccc12)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A10 compound treatment -1.106 -0.977 -1.39 -0.673 -0.602 -1.19 -0.543 -0.492938564026647 -0.949413073114022 -2.0356 -0.9885 1405927 TimTec1_005290 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC2(OC3C=C2)C4C3C(=O)N(C4=O)c5ccc(Cl)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A11 compound treatment 0.138 0.267 0.38 -0.058 0.0134 0.03 0.082 0.132061435973353 0.254353915309685 0.3817 0.833 1153776 TimTec1_005291 Cc1c(CCC(=O)NN)c(C)n2c3ccccc3nc2c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A12 compound treatment 0.244 0.373 0.53 1.073 1.14 2.18 1.013 1.06306143597335 2.03479140933721 2.7418 0.9045 3086211 TimTec1_005292 COc1cc(/C=N/Cc2ccco2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A13 compound treatment -0.456 -0.327 -0.46 0.059 0.13 0.26 0.103 0.153061435973353 0.294800486120722 0.0508 0.0837 1733511 TimTec1_005293 CC1(C)CC(CCO1)C(=O)COc2ccc3ccc(=O)oc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A14 compound treatment -0.31 -0.181 -0.26 -0.491 -0.42 -0.83 0.057 0.107061435973353 0.206203235772737 -0.5075 -0.5693 1139337 TimTec1_005294 C(Oc1ccccc1OCc2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A15 compound treatment -0.523 -0.394 -0.56 -0.003 0.0684 0.14 -0.171 -0.120938564026647 -0.232930961604231 -0.3795 -0.6112 3212403 TimTec1_005295 O=C(NC(SC1=NCCS1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A16 compound treatment 0.031 0.16 0.23 -0.057 0.0144 0.03 0.064 0.114061435973353 0.219685426043083 0.275 0.8648 3086214 TimTec1_005296 CC(C)(CCN1CCOCC1)NC(=O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A17 compound treatment -0.695 -0.566 -0.8 -0.406 -0.335 -0.66 -0.693 -0.642938564026647 -1.23831715033571 -1.5606 -0.9648 1301247 TimTec1_005297 COc1cc2c(C(=O)O)c(C)oc2cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A18 compound treatment 1.169 1.3 1.71 1.269 1.34 2.35 0.359 0.409061435973353 0.787863444579072 2.7951 0.9297 1734603 TimTec1_005298 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccoc3)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A19 compound treatment 1.706 1.84 1.95 2.429 2.5 2.95 3.429 3.47906143597335 3.14288990573834 4.6478 0.9817 3212404 TimTec1_005299 CN1CCc2[nH]c(=S)c(C#N)c(c3ccccc3)c2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A20 compound treatment 0.058 0.187 0.27 -0.182 -0.111 -0.22 -0.312 -0.261938564026647 -0.50450079419262 -0.2635 -0.4313 3086280 TimTec1_005300 COC(=O)/C=C\1/Nc2ccccc2SC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A21 compound treatment -0.375 -0.246 -0.35 -0.519 -0.448 -0.88 -1.159 -1.10893856402665 -2.13584581690443 -1.9449 -0.832 3212405 TimTec1_005301 Cc1cccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)/C2=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A22 compound treatment -0.455 -0.326 -0.46 -0.255 -0.184 -0.36 0.061 0.111061435973353 0.213907344498649 -0.353 -0.5643 1421857 TimTec1_005302 COc1ccc(cc1OC)C(=O)Nc2nnc(o2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A23 mock treatment -0.022 0.107 0.15 -0.281 -0.21 -0.41 0.326 0.376061435973353 0.724304547590301 0.2674 0.3154 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 A24 mock treatment 1.013 1.14 1.61 -0.153 -0.0816 -0.16 0.076 0.126061435973353 0.242797752220818 0.9791 0.5969 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B01 compound treatment -1.329 -1.2 -1.71 -0.644 -0.573 -1.13 -0.074 -0.023938564026647 -0.0461063250008719 -1.664 -0.813 3212406 TimTec1_005303 CC(C)P(C(C)C)c1ccc(C#N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B02 compound treatment 0.213 0.342 0.49 -0.238 -0.167 -0.33 -0.026 0.024061435973353 0.0463429797100688 0.1179 0.2001 3212407 TimTec1_005304 CC(C)COc1ccc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B03 compound treatment 0.538 0.667 0.95 0.26 0.331 0.65 0.149 0.199061435973353 0.383397736468707 1.147 0.9442 1371685 TimTec1_005305 O=C(NCc1cccnc1)c2cc3ccccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B04 compound treatment -0.653 -0.524 -0.74 -0.169 -0.0976 -0.19 -0.165 -0.114938564026647 -0.221374798515364 -0.6688 -0.8358 3086285 TimTec1_005306 COc1cc(OC)c(/C=N/c2ccccc2)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B05 compound treatment -0.483 -0.354 -0.5 -0.186 -0.115 -0.23 -0.13 -0.079938564026647 -0.153963847163636 -0.5097 -0.8906 1138064 TimTec1_005307 OP(=O)(CCN1CCCC1=O)CN2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B06 compound treatment -0.681 -0.552 -0.78 -0.609 -0.538 -1.06 -0.415 -0.364938564026647 -0.702881593884847 -1.4714 -0.9841 1556230 TimTec1_005308 COc1ccc2CCC(C(=O)c2c1)C3(O)C(=O)Nc4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B07 compound treatment -0.061 0.0684 0.1 -0.052 0.0194 0.04 0.038 0.088061435973353 0.169608719324656 0.1762 0.8845 3086287 TimTec1_005309 CCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B08 compound treatment 0.188 0.317 0.45 0.26 0.331 0.65 0.397 0.447061435973353 0.861052477475234 1.1355 0.969 1141795 TimTec1_005310 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccccc4C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B09 compound treatment -1.944 -1.81 -2.58 -0.741 -0.67 -1.32 -0.209 -0.158938564026647 -0.306119994500393 -2.4296 -0.8334 3086290 TimTec1_005311 Cc1ccc2cccc(SCc3ccc(Br)cc3)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B10 compound treatment -1.069 -0.94 -1.34 -0.667 -0.596 -1.18 -0.06 -0.009938564026647 -0.0191419444601809 -1.4613 -0.821 1716446 TimTec1_005312 Clc1cc(NC2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B11 compound treatment 0.0 0.129 0.18 -0.03 0.0414 0.08 -0.2 -0.149938564026647 -0.288785749867091 -0.0133 -0.0377 3212408 TimTec1_005313 COc1cc(ccc1O)c2nc3ccccn3c2/N=C/c4cccc(Cl)c4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B12 compound treatment 0.217 0.346 0.49 0.113 0.184 0.36 -0.147 -0.096938564026647 -0.186706309248761 0.3868 0.6041 1140826 TimTec1_005314 OC1(CCN([C@@H]2CCCC[C@@H]21)C(=O)c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B13 compound treatment -1.422 -1.29 -1.84 -0.847 -0.776 -1.53 -0.2 -0.149938564026647 -0.288785749867091 -2.1119 -0.8765 1456412 TimTec1_005315 CN(CP(=O)(O)CCc1ccccc1)C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B14 compound treatment 0.038 0.167 0.24 0.476 0.547 1.08 0.434 0.484061435973353 0.932315483189917 1.2998 0.8982 1674110 TimTec1_005316 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B15 compound treatment -0.152 -0.0226 -0.03 0.516 0.587 1.16 -0.083 -0.032938564026647 -0.0634405696341733 0.6145 0.5288 3212409 TimTec1_005317 CCN(CC)S(=O)(=O)c1ncn[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B16 compound treatment -0.386 -0.257 -0.36 -0.05 0.0214 0.04 0.114 0.164061435973353 0.315986785116979 -0.0038 -0.0077 3212410 TimTec1_005318 Oc1ccccc1/C=C\2/S\C(=N/c3ccccc3)\N(Cc4ccccc4)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B17 compound treatment -0.339 -0.21 -0.3 0.175 0.246 0.49 -0.041 0.009061435973353 0.0174525719878998 0.119 0.2084 1238350 TimTec1_005319 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Oc2cccc(c2)c3cnc4ccccc4n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B18 compound treatment -1.612 -1.48 -2.11 0.011 0.0824 0.16 -0.007 0.043061435973353 0.0829374961581495 -1.0751 -0.5081 1373281 TimTec1_005320 OC(C#CC(O)(c1ccccc1)c2ccccc2)c3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B19 compound treatment 2.26 2.39 2.13 1.754 1.83 2.66 1.043 1.09306143597335 2.062727422809 3.9545 0.9934 1306989 TimTec1_005321 COc1ccc2N(Cn3nc(c4ccccc4)n(c5ccccc5)c3=S)CCCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B20 compound treatment -0.275 -0.146 -0.21 -0.22 -0.149 -0.29 0.029 0.079061435973353 0.152274474691355 -0.201 -0.5153 1546728 TimTec1_005322 O=C(c1ccccc1)c2nc3ccccc3[nH]c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B21 compound treatment 0.405 0.534 0.76 0.036 0.107 0.21 0.363 0.413061435973353 0.795567553304984 1.0205 0.9108 3086367 TimTec1_005323 COC(=O)C1=C(C)N(/C(=C/c2cccc3ccccc23)/C1=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B22 compound treatment 1.031 1.16 1.63 1.483 1.55 2.5 1.286 1.33606143597335 2.26409871959558 3.6866 0.9854 3086369 TimTec1_005324 O=C(/C=C/c1ccco1)C2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B23 mock treatment -0.071 0.0584 0.08 -0.258 -0.187 -0.37 0.257 0.307061435973353 0.591408672068323 0.1767 0.2518 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 B24 mock treatment -0.382 -0.253 -0.36 -0.066 0.00544 0.01 0.132 0.182061435973353 0.350655274383582 0.0013 0.0026 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C01 compound treatment 0.09 0.219 0.31 0.154 0.225 0.45 0.227 0.277061435973353 0.533627856623985 0.7452 0.9783 1366978 TimTec1_005325 Cc1cc(=O)oc2cc(OC(=O)C3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C02 compound treatment -0.318 -0.189 -0.27 -0.278 -0.207 -0.41 -1.288 -1.23793856402665 -2.38430332331508 -1.7669 -0.726 3086371 TimTec1_005326 NC1=C(C#N)C(c2ccccc2)c3ccc(N)cc3O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C03 compound treatment 0.37 0.499 0.71 0.581 0.652 1.29 0.94 0.990061435973353 1.90688523701775 2.2547 0.9362 1640630 TimTec1_005327 CCN(CC)Cc1c(O)ccc2cc(c3nc4ccccc4[nH]3)c(=O)oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C04 compound treatment 0.338 0.467 0.66 0.379 0.45 0.89 0.522 0.572061435973353 1.10180587515998 1.5333 0.9803 1378375 TimTec1_005328 O=C(Oc1ccccc1OC(=O)C2C3CCCCC23)C4C5CCCCC45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C05 compound treatment -0.246 -0.117 -0.17 0.155 0.226 0.45 -0.032 0.018061435973353 0.0347868166212012 0.1825 0.3817 1495247 TimTec1_005329 Brc1ccc(OCC(=O)Nc2ccccc2N3C(=O)c4ccccc4C3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C06 compound treatment -0.613 -0.484 -0.69 -0.554 -0.483 -0.95 -0.039 0.011061435973353 0.0213046263508557 -0.9348 -0.7954 3212411 TimTec1_005330 C(=N/c1ccc2[nH]c(nc2c1)c3ccccc3)\c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C07 compound treatment 0.108 0.237 0.34 0.102 0.173 0.34 -0.087 -0.036938564026647 -0.071144678360085 0.3515 0.7232 3212412 TimTec1_005331 CCOC(=O)NC1(N/C(=N/c2ccccc2)/N3CCOCC3)Oc4ccccc4O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C08 compound treatment -0.07 0.0594 0.08 0.0 0.0714 0.14 0.806 0.856061435973353 1.64879759469971 1.0821 0.6531 1281134 TimTec1_005332 COc1ccccc1NC(=O)C2CC2(c3ccc(C)cc3)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C09 compound treatment -1.875 -1.75 -2.48 -1.448 -1.38 -2.72 -1.427 -1.37693856402665 -2.65202110154051 -4.5333 -0.9993 1467004 TimTec1_005333 Cc1cc(C)c(C(=O)Cn2c(=S)[nH]c3ccccc23)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C10 compound treatment -0.068 0.0614 0.09 -0.6 -0.529 -1.04 -0.301 -0.250938564026647 -0.483314495196362 -0.8312 -0.7206 3086377 TimTec1_005334 COc1ccc(/C=N/CCN2Cc3ccccc3C2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C11 compound treatment -0.047 0.0824 0.12 -0.437 -0.366 -0.72 -0.413 -0.362938564026647 -0.699029539521891 -0.7527 -0.744 1653534 TimTec1_005335 CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C12 compound treatment 0.047 0.176 0.25 -2.671 -2.6 -5.13 -3.375 -3.32493856402665 -6.40392205105953 -6.516 -0.7936 3086379 TimTec1_005336 Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C13 compound treatment -0.095 0.0344 0.05 -0.266 -0.195 -0.38 -0.129 -0.078938564026647 -0.152037819982158 -0.2813 -0.6762 3212413 TimTec1_005337 CC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C14 compound treatment 0.343 0.472 0.67 -0.091 -0.0196 -0.04 -0.14 -0.089938564026647 -0.173224118978415 0.2655 0.3821 3086381 TimTec1_005338 CC(C)COc1ccccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C15 compound treatment -0.197 -0.0676 -0.1 0.0 0.0714 0.14 -0.075 -0.024938564026647 -0.0480323521823499 -0.0018 -0.01 1498433 TimTec1_005339 O=C(NC(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C16 compound treatment -0.585 -0.456 -0.65 -0.043 0.0284 0.06 -0.258 -0.207938564026647 -0.400495326392811 -0.5728 -0.7501 3212414 TimTec1_005340 CN(C(=O)C)c1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C17 compound treatment -0.356 -0.227 -0.32 -0.203 -0.132 -0.26 -0.095 -0.044938564026647 -0.0865528958119085 -0.386 -0.9128 3086384 TimTec1_005341 C1Cc2c(C1)c3ccccc3n2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C18 compound treatment -0.2 -0.0706 -0.1 -0.158 -0.0866 -0.17 -0.095 -0.044938564026647 -0.0865528958119085 -0.2066 -0.9552 1222403 TimTec1_005342 Nc1c(sc2snc(SCC(=O)c3ccccc3)c12)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C19 compound treatment -0.184 -0.0546 -0.08 0.108 0.179 0.35 0.2 0.250061435973353 0.481625122724081 0.4378 0.7261 3086386 TimTec1_005343 CC(C)(C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C20 compound treatment -0.568 -0.439 -0.62 0.069 0.14 0.28 0.132 0.182061435973353 0.350655274383582 0.0025 0.0033 1290278 TimTec1_005344 COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(=O)C)c3nn[nH]n3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C21 compound treatment -0.736 -0.607 -0.86 -0.426 -0.355 -0.7 -0.289 -0.238938564026647 -0.460202169018627 -1.1678 -0.9713 3086388 TimTec1_005345 COc1ccc(cc1)c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C22 compound treatment -0.24 -0.111 -0.16 -0.671 -0.6 -1.18 -0.407 -0.356938564026647 -0.687473376433023 -1.1712 -0.8499 3212415 TimTec1_005346 COc1ccc(O)c(/C=N/c2cc(ccc2Oc3ccccc3)C(F)(F)F)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C23 mock treatment 0.391 0.52 0.74 0.069 0.14 0.28 0.171 0.221061435973353 0.425770334461221 0.8331 0.9282 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 C24 mock treatment -2.379 -2.25 -3.2 -0.188 -0.117 -0.23 0.0 0.050061435973353 0.096419686428495 -1.9238 -0.5997 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D01 compound treatment -0.46 -0.331 -0.47 0.512 0.583 1.15 0.062 0.112061435973353 0.215833371680127 0.5184 0.4105 1377147 TimTec1_005347 CCC1=NN(C(=O)c2ccccc2F)C(O)(C1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D02 compound treatment -0.017 0.112 0.16 0.65 0.721 1.42 0.541 0.591061435973353 1.13840039160806 1.572 0.8588 1581632 TimTec1_005348 OC(=O)CCC(=O)N(Cc1ccco1)C2CC(=O)N(C2=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D03 compound treatment 0.054 0.183 0.26 0.5 0.571 1.13 0.467 0.517061435973353 0.995874380178689 1.377 0.9015 1159067 TimTec1_005349 CC12C3CC(C=C3)C2C(=O)N(C1=O)c4cccc(c4)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D04 compound treatment -0.539 -0.41 -0.58 -0.445 -0.374 -0.74 -0.448 -0.397938564026647 -0.766440490873618 -1.2046 -0.9933 3086466 TimTec1_005350 OCCn/1c(cs\c1=N/c2ccccc2)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D05 compound treatment -0.283 -0.154 -0.22 0.115 0.186 0.37 0.959 1.00906143597335 1.94347975346583 1.2085 0.6073 1557266 TimTec1_005351 Clc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D06 compound treatment 0.138 0.267 0.38 0.451 0.522 1.03 0.23 0.280061435973353 0.539405938168419 1.1265 0.9199 3212725 TimTec1_005352 OC(=O)c1ccc(cc1)N2C(=O)CC(SC(=N)N3N=C(CC3c4ccccc4)c5ccccc5)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D07 compound treatment -0.418 -0.289 -0.41 -0.368 -0.297 -0.59 -0.329 -0.278938564026647 -0.537243256277745 -0.8851 -0.9897 3086469 TimTec1_005353 O=C(CSc1ncn[nH]1)OCN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D08 compound treatment 0.772 0.901 1.28 0.9 0.971 1.92 1.441 1.49106143597335 2.37331572908722 3.2176 0.9722 3086470 TimTec1_005354 CCN(CC)c1ccc(/C=C\2/S/C(=N\c3cccc(C)c3)/NC2=O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D09 compound treatment 0.028 0.157 0.22 0.349 0.42 0.83 0.108 0.158061435973353 0.304430622028112 0.7843 0.8598 1301370 TimTec1_005355 Cc1cc(C)cc(c1)N2C(Nc3ccccc3C2=O)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D10 compound treatment -0.182 -0.0526 -0.07 -0.74 -0.669 -1.32 -0.872 -0.821938564026647 -1.58307601582026 -1.7193 -0.8336 3086472 TimTec1_005356 N/C(=C\C(=O)c1c(O)c(F)c(F)c(F)c1F)/C(=O)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D11 compound treatment 0.033 0.162 0.23 0.036 0.107 0.21 -0.31 -0.259938564026647 -0.500648739829664 -0.0333 -0.0563 1471806 TimTec1_005357 Fc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D12 compound treatment 0.125 0.254 0.36 -1.29 -1.22 -2.41 -0.758 -0.707938564026647 -1.36350891713178 -1.9675 -0.7054 3212726 TimTec1_005358 CCCC1=C(C(C(=C(N)O1)C#N)c2ccccc2OC)C(=O)OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D13 compound treatment -0.827 -0.698 -0.99 -0.256 -0.185 -0.36 0.046 0.096061435973353 0.18501693677648 -0.6762 -0.6304 3086475 TimTec1_005359 Fc1ccc(/C=C/2\CN(Cc3ccccc3)C/C(=C/c4ccc(F)cc4)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D14 compound treatment -0.429 -0.3 -0.43 -0.039 0.0324 0.06 0.232 0.282061435973353 0.543257992531375 0.1047 0.151 3212727 TimTec1_005360 CN1C(=O)/C(=C\C=C\c2ccccc2Cl)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D15 compound treatment 0.392 0.521 0.74 0.779 0.85 1.68 1.083 1.13306143597335 2.09882491114535 2.6093 0.9358 1327468 TimTec1_005361 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3sc4CCCCCc4c3C#N)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D16 compound treatment 0.0 0.129 0.18 -0.351 -0.28 -0.55 0.175 0.225061435973353 0.433474443187133 0.0378 0.0521 1533582 TimTec1_005362 CCCn1c2ccccc2c3nnc(SCN4C(=O)c5ccccc5C4=O)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D17 compound treatment -0.194 -0.0646 -0.09 0.134 0.205 0.41 -0.062 -0.011938564026647 -0.0229939988231368 0.1679 0.4031 1465950 TimTec1_005363 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccc(cc4)S(=O)(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D18 compound treatment 0.081 0.21 0.3 0.149 0.22 0.44 -0.044 0.006061435973353 0.011674490443466 0.4308 0.8154 1384915 TimTec1_005364 Clc1cccc(NC(=O)COC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D19 compound treatment 0.531 0.66 0.94 0.494 0.565 1.12 0.247 0.297061435973353 0.572148400253544 1.517 0.9681 1450022 TimTec1_005365 COc1ccc2N(Cn3nc(COc4ccccc4)n(C)c3=S)CCCc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D20 compound treatment -0.19 -0.0606 -0.09 0.016 0.0874 0.17 0.368 0.418061435973353 0.805197689212374 0.5148 0.6218 1291038 TimTec1_005366 CCC(O)C#CCN1CCN(C)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D21 compound treatment 0.0 0.129 0.18 -0.449 -0.378 -0.75 -0.169 -0.118938564026647 -0.229078907241275 -0.4564 -0.5696 1912707 TimTec1_005367 CC(C)(O)C(=O)/C=C/c1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D22 compound treatment -1.14 -1.01 -1.44 -2.507 -2.44 -4.81 -2.583 -2.53293856402665 -4.878508523329 -6.4227 -0.9176 1025952 TimTec1_005368 Cc1cc(Cc2ccc(N)c(C)c2)ccc1N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D23 mock treatment -0.018 0.111 0.16 0.161 0.232 0.46 0.029 0.079061435973353 0.152274474691355 0.4443 0.8733 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 D24 mock treatment -0.733 -0.604 -0.86 0.116 0.187 0.37 0.297 0.347061435973353 0.668449759327441 0.1041 0.0906 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E01 compound treatment -0.258 -0.129 -0.18 0.333 0.404 0.8 -0.194 -0.143938564026647 -0.277229586778224 0.1954 0.226 2102259 TimTec1_005369 CC(C)CC(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E02 compound treatment -0.588 -0.459 -0.65 -0.358 -0.287 -0.57 -0.343 -0.292938564026647 -0.564207636818436 -1.0289 -0.9976 3086481 TimTec1_005370 O=C1NC(=O)/C(=C\c2ccccc2)/N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E03 compound treatment 0.293 0.422 0.6 -0.059 0.0124 0.02 -0.092 -0.041938564026647 -0.0807748142674747 0.3143 0.5182 1012035 TimTec1_005371 CN1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E04 compound treatment -0.129 4.09E-4 0.0 -0.108 -0.0366 -0.07 0.074 0.124061435973353 0.238945697857862 0.0966 0.387 3212728 TimTec1_005372 CCc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CCC3)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E05 compound treatment 0.086 0.215 0.31 0.328 0.399 0.79 0.391 0.441061435973353 0.849496314386366 1.1226 0.9363 1629849 TimTec1_005373 CC(C)CN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E06 compound treatment -0.2 -0.0706 -0.1 0.0 0.0714 0.14 -0.049 0.00106143597335299 0.00204435453607635 0.0247 0.1425 3212729 TimTec1_005374 CSc1nc2sc3COC(C)(C)Cc3c2c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E07 compound treatment -0.209 -0.0796 -0.11 0.36 0.431 0.85 0.101 0.151061435973353 0.290948431757766 0.5945 0.6552 3212730 TimTec1_005375 CC(C)c1ccc(C)cc1OC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E08 compound treatment 0.0 0.129 0.18 -0.365 -0.294 -0.58 -0.432 -0.381938564026647 -0.735624055969971 -0.6531 -0.6843 1308284 TimTec1_005376 Cc1ccc(cc1)N2CC(=O)SC32CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E09 compound treatment -1.282 -1.15 -1.64 0.453 0.524 1.04 0.489 0.539061435973353 1.0382469781712 0.2512 0.1142 3085473 TimTec1_005377 COc1ccc(cc1)C2=CN3C(=O)CSC3=NN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E10 compound treatment -1.626 -1.5 -2.13 -1.333 -1.26 -2.49 -1.904 -1.85393856402665 -3.57073606710549 -4.7282 -0.9757 1639246 TimTec1_005378 CCOC(=O)c1c(CN2CCOCC2)oc3ccc(OC)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E11 compound treatment 0.457 0.586 0.83 0.232 0.303 0.6 -0.357 -0.306938564026647 -0.591172017359127 0.486 0.4102 3085475 TimTec1_005379 CC(=C)Cn1c(S)nc2ccccc2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E12 compound treatment -0.034 0.0954 0.14 0.517 0.588 1.16 0.645 0.695061435973353 1.33870721848176 1.522 0.8561 3212731 TimTec1_005380 Cc1ccc(/C=C/2\OC(=O)C=C2)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E13 compound treatment -0.441 -0.312 -0.44 -0.02 0.0514 0.1 -0.197 -0.146938564026647 -0.283007668322658 -0.3605 -0.6734 1303286 TimTec1_005381 CCc1cc2c(=O)c(coc2cc1O)c3nc(C)cs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E14 compound treatment -0.657 -0.528 -0.75 -0.352 -0.281 -0.55 -0.164 -0.113938564026647 -0.219448771333886 -0.8796 -0.9182 3085477 TimTec1_005382 O=C(CSc1nc(ccc1C#N)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E15 compound treatment 0.615 0.744 1.06 -0.142 -0.0706 -0.14 0.547 0.597061435973353 1.14995655469692 1.1945 0.7613 3212732 TimTec1_005383 COc1ccccc1N2CCN(CC2)/N=C/c3sccc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E16 compound treatment 1.547 1.68 1.89 0.919 0.99 1.96 1.202 1.25206143597335 2.19908747895298 3.4908 0.9978 1527733 TimTec1_005384 Nc1nonc1C(=O)NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E17 compound treatment -0.571 -0.442 -0.63 -0.311 -0.24 -0.47 -0.604 -0.553938564026647 -1.06690073118418 -1.2516 -0.9444 3212733 TimTec1_005385 O=C1N([C@H]2CC(=O)[C@@H]3OCC2O3)S(=O)(=O)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E18 compound treatment 0.313 0.442 0.63 1.224 1.3 2.31 0.683 0.733061435973353 1.41189625137792 2.5123 0.9038 1204206 TimTec1_005386 CC(C)(C)NC(=O)CSc1nsc(SCC(=O)NC(C)(C)C)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E19 compound treatment 0.174 0.303 0.43 0.212 0.283 0.56 -0.164 -0.113938564026647 -0.219448771333886 0.4455 0.6021 3212734 TimTec1_005387 NC1=C(C#N)C(C(=c2s/c(=C\c3ccco3)/c(=O)n12)C#N)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E20 compound treatment -0.219 -0.0896 -0.13 -0.812 -0.741 -1.46 -0.424 -0.373938564026647 -0.720215838518148 -1.3336 -0.8157 1594563 TimTec1_005388 OC(=O)CCC(=O)Nc1ccccc1C#Cc2ccc(Br)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E21 compound treatment 0.367 0.496 0.71 -0.358 -0.287 -0.57 -0.538 -0.487938564026647 -0.939782937206632 -0.4618 -0.354 3212735 TimTec1_005389 COc1cccc(/C=N/c2ccc(cc2)c3nc4ccc(C)cc4o3)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E22 compound treatment 1.747 1.88 1.97 1.537 1.61 2.53 1.787 1.83706143597335 2.57702435970499 4.0858 0.9932 3085483 TimTec1_005390 C/C=C/c1c(C)nc2sc(C#N)c(N)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E23 mock treatment -0.809 -0.68 -0.97 -0.029 0.0424 0.08 0.025 0.075061435973353 0.144570365965443 -0.426 -0.4344 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 E24 mock treatment 0.356 0.485 0.69 0.107 0.178 0.35 0.116 0.166061435973353 0.319838839479935 0.7865 0.9383 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F01 compound treatment -0.271 -0.142 -0.2 0.034 0.105 0.21 0.136 0.186061435973353 0.358359383109494 0.2109 0.4577 1199396 TimTec1_005391 O=C(NCc1cccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F02 compound treatment -0.6 -0.471 -0.67 0.016 0.0874 0.17 0.2 0.250061435973353 0.481625122724081 -0.0085 -0.0101 1438185 TimTec1_005392 N#Cc1ccc(cc1C#N)n2c(nnc2c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F03 compound treatment -1.221 -1.09 -1.55 -1.323 -1.25 -2.47 -1.132 -1.08193856402665 -2.08384308300452 -3.5259 -0.9833 1602974 TimTec1_005393 Cc1cc(C)c2oc(nc2c1)c3ccc(N)cc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F04 compound treatment -0.403 -0.274 -0.39 0.197 0.268 0.53 0.25 0.300061435973353 0.577926481797978 0.4151 0.4742 1565318 TimTec1_005394 COC(=O)C(C(Nc1ccccc1)c2ccccc2)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F05 compound treatment -0.576 -0.447 -0.63 -0.241 -0.17 -0.33 -0.029 0.021061435973353 0.040564898165635 -0.5365 -0.7462 3085487 TimTec1_005395 COC(=O)CSc1nc(C)nc2c3ccccc3oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F06 compound treatment 0.385 0.514 0.73 0.244 0.315 0.62 0.106 0.156061435973353 0.300578567665156 0.9554 0.9492 3212736 TimTec1_005396 CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F07 compound treatment -0.523 -0.394 -0.56 -0.06 0.0114 0.02 0.138 0.188061435973353 0.36221143747245 -0.1009 -0.1513 3085489 TimTec1_005397 CN(C)C(=O)/C(=C/c1ccc(F)cc1)/NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F08 compound treatment 0.21 0.339 0.48 0.06 0.131 0.26 0.206 0.256061435973353 0.493181285812949 0.7132 0.9674 3212737 TimTec1_005398 N#Cc1c(NCSCc2ccccc2)sc3CCCCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F09 compound treatment 0.324 0.453 0.64 0.273 0.344 0.68 0.159 0.209061435973353 0.402658008283486 0.9973 0.9778 1212031 TimTec1_005399 CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(c1)C(=O)Nc2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F10 compound treatment 0.49 0.619 0.88 0.492 0.563 1.11 0.327 0.377061435973353 0.726230574771779 1.5701 0.985 1476455 TimTec1_005400 CC(CS(=O)(=O)c1ccccc1)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F11 compound treatment 0.155 0.284 0.4 -0.241 -0.17 -0.33 -0.649 -0.598938564026647 -1.15357195435068 -0.6259 -0.4938 1295263 TimTec1_005401 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3nc4ccccc4o3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F12 compound treatment -0.153 -0.0236 -0.03 -0.375 -0.304 -0.6 -0.507 -0.456938564026647 -0.880076094580816 -0.8735 -0.82 1158028 TimTec1_005402 C(Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F13 compound treatment -0.311 -0.182 -0.26 -0.098 -0.0266 -0.05 0.063 0.113061435973353 0.217759398861605 -0.0536 -0.1569 3086060 TimTec1_005403 CCC(NC(=O)OC1CCCCC1C)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F14 compound treatment -0.313 -0.184 -0.26 0.787 0.858 1.69 -0.185 -0.134938564026647 -0.259895342144922 0.6779 0.3908 3212738 TimTec1_005404 CN1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccccc3)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F15 compound treatment 0.467 0.596 0.85 0.067 0.138 0.27 0.06 0.110061435973353 0.211981317317171 0.7698 0.8405 1322720 TimTec1_005405 CCOC(=O)c1c(CSc2ccccc2)oc3ccc(O)c(CN(C)C)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F16 compound treatment -0.191 -0.0616 -0.09 0.525 0.596 1.18 0.75 0.800061435973353 1.54094007253694 1.519 0.7824 1183235 TimTec1_005406 Cc1ccc2nc(NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F17 compound treatment -1.051 -0.922 -1.31 -0.136 -0.0646 -0.13 -0.368 -0.317938564026647 -0.612358316355384 -1.1836 -0.8152 1662436 TimTec1_005407 Nc1nonc1n2nnc(C(=O)N3CCCC3)c2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F18 compound treatment -0.259 -0.13 -0.18 -0.162 -0.0906 -0.18 0.248 0.298061435973353 0.574074427435022 0.1218 0.1937 1606341 TimTec1_005408 COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F19 compound treatment -0.662 -0.533 -0.76 -0.265 -0.194 -0.38 -0.244 -0.193938564026647 -0.37353094585212 -0.8735 -0.9425 1282067 TimTec1_005409 COC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F20 compound treatment -1.295 -1.17 -1.66 -1.17 -1.1 -2.17 -1.044 -0.993938564026647 -1.91435269103447 -3.3144 -0.9941 3086064 TimTec1_005410 CSC1=NC(C)(C)Cc2c(C)cccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F21 compound treatment -0.629 -0.5 -0.71 -0.036 0.0354 0.07 -0.135 -0.084938564026647 -0.163593983071026 -0.4641 -0.6339 1037267 TimTec1_005411 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F22 compound treatment -0.163 -0.0336 -0.05 -0.714 -0.643 -1.27 -0.431 -0.380938564026647 -0.733698028788494 -1.1837 -0.8072 1160915 TimTec1_005412 Cc1cccc(c1C)n2c(CSc3nc4ccccc4[nH]3)nc5ccccc5c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F23 mock treatment 0.2 0.329 0.47 0.226 0.297 0.59 0.118 0.168061435973353 0.323690893842891 0.7964 0.9736 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 F24 mock treatment -0.347 -0.218 -0.31 -0.267 -0.196 -0.39 0.123 0.173061435973353 0.333321029750281 -0.2091 -0.3505 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G01 compound treatment -0.541 -0.412 -0.59 -0.005 0.0664 0.13 -0.508 -0.457938564026647 -0.882002121762294 -0.7713 -0.7232 3086066 TimTec1_005413 CCC(C)C(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G02 compound treatment -0.371 -0.242 -0.34 -0.273 -0.202 -0.4 -0.301 -0.250938564026647 -0.483314495196362 -0.7071 -0.9902 3212809 TimTec1_005414 COC(=O)n1c(SC)nc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G03 compound treatment -0.605 -0.476 -0.68 -0.216 -0.145 -0.29 0.113 0.163061435973353 0.314060757935501 -0.3739 -0.4683 1428822 TimTec1_005415 CC(C)c1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G04 compound treatment -0.269 -0.14 -0.2 -0.032 0.0394 0.08 -0.149 -0.098938564026647 -0.190558363611717 -0.1796 -0.6282 1673731 TimTec1_005416 C=CCN(CC=C)C(=S)Oc1ccc(cc1)C(=O)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G05 compound treatment -2.583 -2.45 -3.49 -1.833 -1.76 -3.48 -1.437 -1.38693856402665 -2.67128137335529 -5.5645 -0.993 3212810 TimTec1_005417 NNC(=O)c1cc(nn1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G06 compound treatment -0.838 -0.709 -1.01 -0.293 -0.222 -0.44 0.338 0.388061435973353 0.747416873768036 -0.4027 -0.3031 3086070 TimTec1_005418 COC(=O)Nc1ccc(Br)cn1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G07 compound treatment -0.641 -0.512 -0.73 -0.052 0.0194 0.04 -0.137 -0.086938564026647 -0.167446037433982 -0.4945 -0.6616 3212811 TimTec1_005419 CN/1N(C(=NC(=O)\C1=C/c2ccc(O)cc2)C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G08 compound treatment -0.135 -0.00559 -0.01 0.213 0.284 0.56 0.13 0.180061435973353 0.346803220020626 0.5199 0.7876 1496851 TimTec1_005420 CCSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G09 compound treatment -0.527 -0.398 -0.57 -0.6 -0.529 -1.04 -0.534 -0.483938564026647 -0.932078828480721 -1.4671 -0.9721 3212812 TimTec1_005421 CC1SC2=NNC(=CN2C1=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G10 compound treatment -0.299 -0.17 -0.24 -0.636 -0.565 -1.11 -0.432 -0.381938564026647 -0.735624055969971 -1.2075 -0.8897 1578108 TimTec1_005422 CC(=O)Oc1ccc(cc1)c2nc3ccccc3c(=O)o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G11 compound treatment -0.268 -0.139 -0.2 -0.152 -0.0806 -0.16 -0.238 -0.187938564026647 -0.361974782763253 -0.4146 -0.9385 1637150 TimTec1_005423 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c4CCCCc4c3cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G12 compound treatment 0.231 0.36 0.51 -1.042 -0.971 -1.92 -1.068 -1.01793856402665 -1.96057734338994 -1.9425 -0.6965 1014256 TimTec1_005424 c1c([nH]c2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G13 compound treatment -0.258 -0.129 -0.18 -0.091 -0.0196 -0.04 -0.048 0.002061435973353 0.00397038171755429 -0.1256 -0.6718 1442327 TimTec1_005425 CCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G14 compound treatment -0.345 -0.216 -0.31 -0.412 -0.341 -0.67 -0.5 -0.449938564026647 -0.866593904310471 -1.0655 -0.9356 3212813 TimTec1_005426 CCOc1cc(/C=N/CCN2Cc3ccccc3C2=O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G15 compound treatment -0.37 -0.241 -0.34 -0.205 -0.134 -0.26 -0.214 -0.163938564026647 -0.315750130407782 -0.5321 -0.9944 3086140 TimTec1_005427 COc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G16 compound treatment -0.254 -0.125 -0.18 -0.061 0.0104 0.02 -0.46 -0.409938564026647 -0.789552817051354 -0.5462 -0.6748 3212814 TimTec1_005428 Clc1ccc(NC(=O)CSC(=O)c2ccccc2)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G17 compound treatment -0.776 -0.647 -0.92 -0.136 -0.0646 -0.13 -0.081 -0.030938564026647 -0.0595885152712175 -0.6388 -0.6868 3086142 TimTec1_005429 Oc1n[n+](no1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G18 compound treatment -0.521 -0.392 -0.56 -0.22 -0.149 -0.29 -0.028 0.022061435973353 0.0424909253471129 -0.4663 -0.7392 3212815 TimTec1_005430 COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G19 compound treatment -0.945 -0.816 -1.16 -0.176 -0.105 -0.21 -0.696 -0.645938564026647 -1.24409523188015 -1.507 -0.8796 1400147 TimTec1_005431 Cc1ccccc1OCC(=O)Nc2cc(Sc3ccccn3)cc(c2)S(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G20 compound treatment -0.25 -0.121 -0.17 0.192 0.263 0.52 -0.09 -0.039938564026647 -0.0769227599045188 0.1569 0.2837 3086144 TimTec1_005432 C(=N/c1nnc2[nH]cnn12)\c3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G21 compound treatment -0.157 -0.0276 -0.04 0.552 0.623 1.23 -0.071 -0.020938564026647 -0.0403282434564381 0.6648 0.5395 1704603 TimTec1_005433 CCN(CC)C(=O)N1CCc2ccccc2C1CN3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G22 compound treatment -0.487 -0.358 -0.51 0.442 0.513 1.01 0.62 0.670061435973353 1.29055653894481 1.0369 0.6035 3212816 TimTec1_005434 CCc1c(C)[nH]c(=S)c(C#N)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G23 mock treatment -0.141 -0.0116 -0.02 0.108 0.179 0.35 0.129 0.179061435973353 0.344877192839148 0.3942 0.7967 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 G24 mock treatment -1.19 -1.06 -1.51 0.286 0.357 0.71 0.093 0.143061435973353 0.275540214305943 -0.304 -0.1802 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H01 compound treatment -0.061 0.0684 0.1 0.15 0.221 0.44 0.081 0.131061435973353 0.252427888128207 0.4543 0.8837 1451425 TimTec1_005435 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2nncs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H02 compound treatment 0.0 0.129 0.18 -0.081 -0.00956 -0.02 0.075 0.125061435973353 0.24087172503934 0.2344 0.7718 3086147 TimTec1_005436 COc1cc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc(Br)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H03 compound treatment -0.34 -0.211 -0.3 -0.368 -0.297 -0.59 -0.085 -0.034938564026647 -0.0672926239971292 -0.5498 -0.8316 3212817 TimTec1_005437 Cc1cc-2c(cn1)/C(=N\c3ccccc3C)/c4ccccc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H04 compound treatment -0.408 -0.279 -0.4 -0.528 -0.457 -0.9 -0.167 -0.116938564026647 -0.22522685287832 -0.8792 -0.8704 3086149 TimTec1_005438 Clc1ss/c(=N\c2ccccn2)/c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H05 compound treatment -1.138 -1.01 -1.43 -0.5 -0.429 -0.85 -0.2 -0.149938564026647 -0.288785749867091 -1.4832 -0.8777 1471924 TimTec1_005439 COC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(OC)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H06 compound treatment 0.128 0.257 0.37 0.399 0.47 0.93 -0.174 -0.123938564026647 -0.238709043148665 0.6098 0.594 3212818 TimTec1_005440 Cc1ccc(/N=C/c2ccc3OCOc3c2)c(Br)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H07 compound treatment -0.109 0.0204 0.03 -0.118 -0.0466 -0.09 -0.077 -0.026938564026647 -0.0518844065453057 -0.0663 -0.6054 1713930 TimTec1_005441 CC(C)C(O)(C#CCN1CCCCC1)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H08 compound treatment 0.034 0.163 0.23 -0.033 0.0384 0.08 0.178 0.228061435973353 0.439252524731567 0.4316 0.8585 3212819 TimTec1_005442 CC(=O)NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H09 compound treatment -0.261 -0.132 -0.19 0.123 0.194 0.38 0.314 0.364061435973353 0.701192221412566 0.5185 0.6315 1216409 TimTec1_005443 Nc1nnc(SCC(=O)NCc2ccco2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H10 compound treatment -0.426 -0.297 -0.42 -0.068 0.00344 0.01 -0.352 -0.301938564026647 -0.581541881451737 -0.5753 -0.8008 3212820 TimTec1_005444 Cc1nc(Sc2ccccc2)c3oc4ccccc4c3n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H11 compound treatment -0.577 -0.448 -0.64 -0.183 -0.112 -0.22 -0.292 -0.241938564026647 -0.465980250563061 -0.7636 -0.9325 1240888 TimTec1_005445 O=C1CSC2(CCCCC2)N1Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H12 compound treatment 0.283 0.412 0.59 -0.47 -0.399 -0.79 -0.222 -0.171938564026647 -0.331158347859606 -0.307 -0.2964 3212821 TimTec1_005446 Clc1ccc(NC(=O)CSC2=NCCS2)nc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H13 compound treatment -0.447 -0.318 -0.45 0.123 0.194 0.38 -0.21 -0.159938564026647 -0.308046021681871 -0.2169 -0.3247 3212822 TimTec1_005447 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CCC2)c4cccc(c4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H14 compound treatment -0.326 -0.197 -0.28 0.0 0.0714 0.14 0.076 0.126061435973353 0.242797752220818 0.0602 0.1521 1666111 TimTec1_005448 Oc1ccccc1N=c2c(=O)c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H15 compound treatment -0.581 -0.452 -0.64 -0.167 -0.0956 -0.19 -0.291 -0.240938564026647 -0.464054223381583 -0.7476 -0.918 3086218 TimTec1_005449 O=C(NC1CC1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H16 compound treatment -0.239 -0.11 -0.16 -0.086 -0.0146 -0.03 -0.037 0.013061435973353 0.0251566807138115 -0.092 -0.5737 1687122 TimTec1_005450 COc1ccc(cc1)C2CC3(OCCO3)C4(CCCCC4)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H17 compound treatment -1.433 -1.3 -1.85 -0.831 -0.76 -1.5 -0.547 -0.496938564026647 -0.957117181839934 -2.4886 -0.9686 3212823 TimTec1_005451 Clc1cccc(/C=C\2/SC(=NC2=O)N3CCCC3)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H18 compound treatment -0.137 -0.00759 -0.01 0.064 0.135 0.27 -0.041 0.009061435973353 0.0174525719878998 0.1582 0.59 1549014 TimTec1_005452 O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCc4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H19 compound treatment -0.114 0.0154 0.02 0.321 0.392 0.77 -0.052 -0.001938564026647 -0.00373372700835743 0.4579 0.5906 1530955 TimTec1_005453 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CC(C)(C)C2)c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H20 compound treatment -1.983 -1.85 -2.64 -0.448 -0.377 -0.74 -0.5 -0.449938564026647 -0.866593904310471 -2.4512 -0.8534 1138726 TimTec1_005454 CCOC(=O)c1ccccc1NCn2c(=S)oc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H21 compound treatment 0.141 0.27 0.38 0.072 0.143 0.28 0.257 0.307061435973353 0.591408672068323 0.7269 0.9563 1258567 TimTec1_005455 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H22 compound treatment -0.923 -0.794 -1.13 -0.784 -0.713 -1.41 -0.286 -0.235938564026647 -0.454424087474193 -1.7261 -0.9281 1345011 TimTec1_005456 OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)S(=O)(=O)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H23 mock treatment -0.14 -0.0106 -0.02 0.241 0.312 0.62 0.141 0.191061435973353 0.367989519016883 0.5599 0.7793 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 H24 mock treatment -0.259 -0.13 -0.18 0.31 0.381 0.75 0.304 0.354061435973353 0.681931949597786 0.7222 0.6994 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I01 compound treatment -0.388 -0.259 -0.37 -0.019 0.0524 0.1 -0.129 -0.078938564026647 -0.152037819982158 -0.2403 -0.5844 1452955 TimTec1_005457 CCOC(=O)c1c(oc2ccc(OCC)cc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I02 compound treatment -0.831 -0.702 -1.0 -0.34 -0.269 -0.53 -0.506 -0.455938564026647 -0.878150067399338 -1.3891 -0.9708 1419694 TimTec1_005458 CCCc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I03 compound treatment -0.789 -0.66 -0.94 0.009 0.0804 0.16 -0.171 -0.120938564026647 -0.232930961604231 -0.5842 -0.5966 1348330 TimTec1_005459 CCc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I04 compound treatment -0.368 -0.239 -0.34 -0.329 -0.258 -0.51 -0.273 -0.222938564026647 -0.42938573411498 -0.7374 -0.9871 1011570 TimTec1_005460 COc1ccc2oc(=O)cc(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I05 compound treatment -0.456 -0.327 -0.46 -0.284 -0.213 -0.42 -1.145 -1.09493856402665 -2.10888143636374 -1.728 -0.7855 1591902 TimTec1_005461 NNC(=O)Cc1nc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I06 compound treatment -1.986 -1.86 -2.64 -1.451 -1.38 -2.72 -0.908 -0.857938564026647 -1.65241299435347 -4.0507 -0.979 3086226 TimTec1_005462 CCCC(=O)n1c(=S)oc2cc(Cl)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I07 compound treatment -0.016 0.113 0.16 0.163 0.234 0.46 0.485 0.535061435973353 1.03054286944529 0.9553 0.8371 3212824 TimTec1_005463 Cc1ccc(cc1)C(=O)/N=c\2/n(C)n(c(C)nc2=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I08 compound treatment -0.361 -0.232 -0.33 0.08 0.151 0.3 0.027 0.077061435973353 0.148422420328399 0.0682 0.1455 1332287 TimTec1_005464 NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I09 compound treatment -0.262 -0.133 -0.19 -0.113 -0.0416 -0.08 -0.613 -0.562938564026647 -1.08423497581748 -0.7822 -0.7088 1228160 TimTec1_005465 O=C(SCc1nc2ccccc2[nH]1)c3ccc(cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I10 compound treatment -0.136 -0.00659 -0.01 -0.135 -0.0636 -0.13 -0.38 -0.329938564026647 -0.635470642533119 -0.4448 -0.6866 3212825 TimTec1_005466 Cc1ccc2cc3/C(=N\C4CCCCC4)/c5ccccc5-c3nc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I11 compound treatment 0.222 0.351 0.5 -0.625 -0.554 -1.09 0.098 0.148061435973353 0.285170350213332 -0.178 -0.1441 3086229 TimTec1_005467 Cc1ccc2nc(NCc3ccccc3)c(/C=N/c4ccc(Cl)cc4)c(=O)n2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I12 compound treatment -0.028 0.101 0.14 -0.625 -0.554 -1.09 -0.913 -0.862938564026647 -1.66204313026086 -1.5074 -0.7558 3212826 TimTec1_005468 COc1ccc(/N=C\2/c3ccccc3-c4nc5ccccc5nc24)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I13 compound treatment 0.618 0.747 1.06 0.982 1.05 2.08 1.172 1.22206143597335 2.17475917091051 3.07 0.962 1582817 TimTec1_005469 CN(C)Cc1c(C)cc2oc(=O)c3CCCCc3c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I14 compound treatment -0.592 -0.463 -0.66 -0.069 0.00244 0.0 -0.573 -0.522938564026647 -1.00719388855836 -0.9584 -0.7968 3086232 TimTec1_005470 CCc1ccc(cc1)c2nn(c3ccccc3)c(=S)c4ccccc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I15 compound treatment 0.085 0.214 0.3 -0.126 -0.0546 -0.11 0.354 0.404061435973353 0.778233308671683 0.5631 0.6682 3212903 TimTec1_005471 CN(C)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I16 compound treatment -0.26 -0.131 -0.19 -0.138 -0.0666 -0.13 -0.161 -0.110938564026647 -0.213670689789452 -0.3064 -0.9819 1444311 TimTec1_005472 COC(=O)c1ccc(OC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I17 compound treatment -0.205 -0.0756 -0.11 0.243 0.314 0.62 -0.576 -0.525938564026647 -1.01297197010279 -0.2884 -0.2418 3212904 TimTec1_005473 CSc1c(CC(=O)Nc2ccccc2)n(Cc3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I18 compound treatment -0.407 -0.278 -0.39 -0.179 -0.108 -0.21 -0.285 -0.234938564026647 -0.452498060292716 -0.6117 -0.9605 3086235 TimTec1_005474 Fc1ccc(/C=N/c2nnc3[nH]cnn23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I19 compound treatment -0.242 -0.113 -0.16 -0.111 -0.0396 -0.08 -0.507 -0.456938564026647 -0.880076094580816 -0.6456 -0.719 3212905 TimTec1_005475 CC(C)(C)c1ccc(cc1)c2nc3ccccc3s2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I20 compound treatment -0.182 -0.0526 -0.07 -0.054 0.0174 0.03 -0.216 -0.165938564026647 -0.319602184770738 -0.2078 -0.6297 3086300 TimTec1_005476 CCC1(C)OC(=O)N(C1=C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I21 compound treatment -0.412 -0.283 -0.4 0.259 0.33 0.65 0.197 0.247061435973353 0.475847041179648 0.4195 0.465 3086302 TimTec1_005477 COCc1cc(C)nc2snc(Br)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I22 compound treatment 0.641 0.77 1.1 0.121 0.192 0.38 0.449 0.499061435973353 0.961205890912086 1.4067 0.9341 3212906 TimTec1_005478 Cc1cc(C)c2c(N)c(sc2n1)C(=O)OC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I23 mock treatment -1.228 -1.1 -1.56 -0.016 0.0554 0.11 0.01 0.060061435973353 0.115679958243274 -0.7718 -0.4916 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 I24 mock treatment -0.915 -0.786 -1.12 0.153 0.224 0.44 0.106 0.156061435973353 0.300578567665156 -0.2155 -0.174 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J01 compound treatment -0.938 -0.809 -1.15 -0.355 -0.284 -0.56 -0.077 -0.026938564026647 -0.0518844065453057 -1.017 -0.7946 1654696 TimTec1_005479 CC(C)C1N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J02 compound treatment -0.333 -0.204 -0.29 -0.476 -0.405 -0.8 0.071 0.121061435973353 0.233167616313428 -0.4937 -0.5603 3086304 TimTec1_005480 FC(F)(F)COc1nc(nc(n1)N2CCN(CC2)c3ccccc3)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J03 compound treatment -0.493 -0.364 -0.52 -0.213 -0.142 -0.28 -0.171 -0.120938564026647 -0.232930961604231 -0.5943 -0.9402 1724083 TimTec1_005481 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J04 compound treatment -1.107 -0.978 -1.39 -1.153 -1.08 -2.14 -0.724 -0.673938564026647 -1.29802399296153 -2.7849 -0.9739 3086306 TimTec1_005482 CCCCc1c(C)c2ccc(OCC=C)cc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J05 compound treatment 0.105 0.234 0.33 0.276 0.347 0.69 0.188 0.238061435973353 0.458512796546346 0.8532 0.9588 3212907 TimTec1_005483 COC(=O)CSC1=NC(=O)/C(=C/c2ccc(OC)cc2)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J06 compound treatment 0.17 0.299 0.43 -0.009 0.0624 0.12 0.386 0.436061435973353 0.839866178478977 0.8018 0.8444 3086308 TimTec1_005484 Brc1cc2OCOc2cc1/C=N/c3c(nc4ccccn34)c5ccco5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J07 compound treatment -1.773 -1.64 -2.34 -1.49 -1.42 -2.8 -1.402 -1.35193856402665 -2.60387042200357 -4.4697 -0.9973 3212908 TimTec1_005485 Clc1ccc(Oc2ccc(/N=C/c3ccc(I)o3)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J08 compound treatment -0.27 -0.141 -0.2 -0.125 -0.0536 -0.11 -0.072 -0.021938564026647 -0.0422542706379161 -0.2009 -0.8731 3212909 TimTec1_005486 CC(=O)NC1=NC(=O)/C(=C\c2ccc(C)cc2)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J09 compound treatment -0.316 -0.187 -0.27 -0.196 -0.125 -0.25 0.09 0.140061435973353 0.269762132761509 -0.1394 -0.3089 3086311 TimTec1_005487 CCn1c2ccccc2c3cc(/C=N/c4ccc(Cl)cc4)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J10 compound treatment 0.644 0.773 1.1 0.047 0.118 0.23 0.394 0.444061435973353 0.8552743959308 1.2637 0.8946 1618704 TimTec1_005488 Cc1cc(=O)oc2c(C)c(O)c(CC=C)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J11 compound treatment 0.111 0.24 0.34 -0.376 -0.305 -0.6 -0.724 -0.673938564026647 -1.29802399296153 -0.8993 -0.6114 1654232 TimTec1_005489 CN(CP(=O)(O)CN1CCOCC1)S(=O)(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J12 compound treatment 0.043 0.172 0.25 -0.544 -0.473 -0.93 -0.417 -0.366938564026647 -0.706733648247802 -0.8052 -0.6733 3212910 TimTec1_005490 Clc1ccc(cc1)N2C(=C)C3(CCCCC3)OC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J13 compound treatment -1.984 -1.85 -2.64 -1.393 -1.32 -2.61 -0.818 -0.767938564026647 -1.47907054802045 -3.8829 -0.9722 3212911 TimTec1_005491 OCCn/1c(cs\c1=N/c2ccccc2)c3cccc(c3)N4C(=O)c5ccccc5C4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J14 compound treatment -1.682 -1.55 -2.21 -1.433 -1.36 -2.69 -1.194 -1.14393856402665 -2.20325676825616 -4.0987 -0.9954 3086315 TimTec1_005492 OCCn/1c(cs\c1=N/c2cccc(c2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)N4CCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J15 compound treatment -0.187 -0.0576 -0.08 0.5 0.571 1.13 0.485 0.535061435973353 1.03054286944529 1.1991 0.7836 1655602 TimTec1_005493 CCOC(=O)C(Cc1ccc(NC(=O)c2ccccc2)cc1)N3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J16 compound treatment -0.048 0.0814 0.12 -0.271 -0.2 -0.39 -0.014 0.036061435973353 0.069455305887804 -0.1206 -0.2895 1386199 TimTec1_005494 CC1(C)OC(=O)N(CCCC(=O)O)C1(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J17 compound treatment -0.564 -0.435 -0.62 -0.017 0.0544 0.11 -0.071 -0.020938564026647 -0.0403282434564381 -0.318 -0.5059 1068676 TimTec1_005495 Cc1ccc(cc1)S(=O)(=O)C=C(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J18 compound treatment 0.19 0.319 0.45 -0.184 -0.113 -0.22 0.156 0.206061435973353 0.396879926739052 0.363 0.5648 3086318 TimTec1_005496 CCOC(=O)C1=C(NC(=S)NC1c2cccc(OC)c2O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J19 compound treatment -0.068 0.0614 0.09 0.426 0.497 0.98 0.301 0.351061435973353 0.676153868053352 1.0079 0.843 1433302 TimTec1_005497 COc1cccc(c1)c2nn(CN3CCCC3)c(=S)n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J20 compound treatment -0.328 -0.199 -0.28 0.053 0.124 0.25 -0.044 0.006061435973353 0.011674490443466 -0.0144 -0.0385 3212912 TimTec1_005498 COc1ccc(CN(C2CC(=O)N(C2=O)c3ccccc3)C(=O)/C=C/C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J21 compound treatment 0.585 0.714 1.02 0.167 0.238 0.47 0.409 0.459061435973353 0.884164803652969 1.3687 0.9594 3086320 TimTec1_005499 CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc4CCCc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J22 compound treatment 0.181 0.31 0.44 0.148 0.219 0.43 0.578 0.628061435973353 1.20966339732274 1.2034 0.8857 3212913 TimTec1_005500 CCOc1cc(/C=c/2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(Cl)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J23 mock treatment 0.12 0.249 0.35 0.416 0.487 0.96 0.0 0.050061435973353 0.096419686428495 0.8161 0.7921 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 J24 mock treatment 0.266 0.395 0.56 -0.016 0.0554 0.11 0.014 0.064061435973353 0.123384066969186 0.459 0.7835 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K01 compound treatment -0.407 -0.278 -0.39 -0.115 -0.0436 -0.09 -0.302 -0.251938564026647 -0.48524052237784 -0.5577 -0.8833 1526103 TimTec1_005501 CC(=O)Oc1ccc2oc(c(C(=O)O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K02 compound treatment -0.424 -0.295 -0.42 -0.561 -0.49 -0.97 -0.271 -0.220938564026647 -0.425533679752025 -1.0456 -0.9203 1186869 TimTec1_005502 COc1ccccc1C(=O)Nc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K03 compound treatment -0.359 -0.23 -0.33 -0.053 0.0184 0.04 0.308 0.358061435973353 0.689636058323698 0.2307 0.302 3212914 TimTec1_005503 O=C(NC(=S)NC1CCCC1)/C=C/c2ccc3OCOc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K04 compound treatment 0.435 0.564 0.8 -0.16 -0.0886 -0.17 0.095 0.145061435973353 0.279392268668899 0.5237 0.6036 3086394 TimTec1_005504 Cc1ccc(cc1)S(=O)(=O)N=C2NCN(CN2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K05 compound treatment -1.636 -1.51 -2.14 -0.841 -0.77 -1.52 -0.677 -0.626938564026647 -1.20750071543206 -2.8111 -0.9725 1131736 TimTec1_005505 COc1ccc(cc1OC)c2c(C)nn(c2NC(=O)C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K06 compound treatment -0.413 -0.284 -0.4 -0.368 -0.297 -0.59 0.286 0.336061435973353 0.647263460331183 -0.1972 -0.2051 1007406 TimTec1_005506 COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K07 compound treatment -0.373 -0.244 -0.35 0.06 0.131 0.26 -0.096 -0.045938564026647 -0.0884789229933864 -0.1012 -0.2291 3212915 TimTec1_005507 Clc1ccccc1C(=O)N=C2NCCCCCN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K08 compound treatment 0.03 0.159 0.23 -0.222 -0.151 -0.3 0.268 0.318061435973353 0.612594971064581 0.3129 0.436 1323784 TimTec1_005508 Cc1cccc(c1)S(=O)(=O)N2CCSC2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K09 compound treatment -0.031 0.0984 0.14 -0.061 0.0104 0.02 -0.027 0.023061435973353 0.0444169525285909 0.1183 0.7982 1116167 TimTec1_005509 Cn1c(=O)n(C)c2nc(Br)n(CC(=O)c3ccccc3)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K10 compound treatment -0.896 -0.767 -1.09 -0.625 -0.554 -1.09 -1.041 -0.990938564026647 -1.90857460949003 -2.3622 -0.9624 1464973 TimTec1_005510 OC(=O)c1cc(c2ccccc2)c(cn1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K11 compound treatment -0.235 -0.106 -0.15 -0.341 -0.27 -0.53 -0.791 -0.740938564026647 -1.42706781412055 -1.2179 -0.7958 3212916 TimTec1_005511 Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/O)c(=O)n2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K12 compound treatment -0.048 0.0814 0.12 -0.155 -0.0836 -0.16 -0.375 -0.324938564026647 -0.625840506625729 -0.3898 -0.5928 3086399 TimTec1_005512 Cc1cccc2nc3/C(=N\c4ccccc4)/c5ccccc5-c3nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K13 compound treatment -0.448 -0.319 -0.45 -0.333 -0.262 -0.52 -0.254 -0.203938564026647 -0.3927912176669 -0.7865 -0.9939 1486848 TimTec1_005513 CCCc1cc2c(=O)c(coc2cc1O)c3nc4ccccc4n3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K14 compound treatment -0.305 -0.176 -0.25 -0.057 0.0144 0.03 -0.082 -0.031938564026647 -0.0615145424526954 -0.1632 -0.6308 3086401 TimTec1_005514 CSc1cccc2c(SC)cccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K15 compound treatment -1.208 -1.08 -1.53 -0.8 -0.729 -1.44 -0.597 -0.546938564026647 -1.05341854091383 -2.3241 -0.9882 3212917 TimTec1_005515 C(N1CCN(CC1)/N=C/c2ccncc2)c3cccc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K16 compound treatment -0.043 0.0864 0.12 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 0.208 0.9886 3086404 TimTec1_005516 O=c1/c(=C/C=C/c2ccccc2)/sc3nc4ccccc4n13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K17 compound treatment -2.281 -2.15 -3.06 -1.909 -1.84 -3.63 -1.2 -1.14993856402665 -2.21481293134502 -5.1397 -0.9814 1919931 TimTec1_005517 Sc1nnc(o1)C2(CCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K18 compound treatment -0.337 -0.208 -0.3 -0.102 -0.0306 -0.06 -0.17 -0.119938564026647 -0.231004934422753 -0.3386 -0.892 3212918 TimTec1_005518 Cc1ccc(cc1)C2=C/C(=C/c3c(O)ccc4ccccc34)/C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K19 compound treatment 0.16 0.289 0.41 0.422 0.493 0.97 0.348 0.398061435973353 0.766677145582815 1.2427 0.9513 3086406 TimTec1_005519 COc1ccc(cc1)N2C(=O)CC(S/C(=N/c3ccccc3)/N)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K20 compound treatment -0.219 -0.0896 -0.13 -0.05 0.0214 0.04 -0.215 -0.164938564026647 -0.31767615758926 -0.2325 -0.6742 3212919 TimTec1_005520 COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)oc4ccccc43)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K21 compound treatment -0.808 -0.679 -0.96 -0.922 -0.851 -1.68 -0.282 -0.231938564026647 -0.446719978748282 -1.7846 -0.8978 3086408 TimTec1_005521 Cc1ccccc1C2C(=C(N)SC(=C2C#N)N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K22 compound treatment -0.016 0.113 0.16 0.114 0.185 0.37 0.299 0.349061435973353 0.672301813690397 0.6926 0.8853 3212920 TimTec1_005522 COc1ccc(cc1)C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K23 mock treatment -0.081 0.0484 0.07 -0.275 -0.204 -0.4 0.078 0.128061435973353 0.246649806583774 -0.0499 -0.1047 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 K24 mock treatment -0.578 -0.449 -0.64 0.041 0.112 0.22 -0.137 -0.086938564026647 -0.167446037433982 -0.3367 -0.484 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L01 compound treatment -0.723 -0.594 -0.84 -0.48 -0.409 -0.81 0.016 0.066061435973353 0.127236121332142 -0.8796 -0.7489 3212921 TimTec1_005523 Oc1ccc(Br)cc1/C=N/c2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L02 compound treatment -0.652 -0.523 -0.74 -0.111 -0.0396 -0.08 -0.292 -0.241938564026647 -0.465980250563061 -0.7431 -0.844 3086411 TimTec1_005524 Fc1cccc(c1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L03 compound treatment -0.717 -0.588 -0.84 -0.418 -0.347 -0.68 -0.074 -0.023938564026647 -0.0461063250008719 -0.904 -0.8364 3086413 TimTec1_005525 NC1=C(C#N)C(c2ccsc2)c3ccc4ccccc4c3O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L04 compound treatment 0.128 0.257 0.37 0.226 0.297 0.59 0.073 0.123061435973353 0.237019670676384 0.6872 0.9395 1682053 TimTec1_005526 Cc1ccc2nc(cn2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L05 compound treatment -0.74 -0.611 -0.87 -0.091 -0.0196 -0.04 -0.081 -0.030938564026647 -0.0595885152712175 -0.5579 -0.6405 1536268 TimTec1_005527 Cc1ccc(cc1)N2C(=C(C#N)C(C3=C2CC(C)(C)CC3=O)c4ccccc4)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L06 compound treatment -0.15 -0.0206 -0.03 -0.403 -0.332 -0.65 -0.262 -0.211938564026647 -0.408199435118723 -0.6306 -0.8167 3211217 TimTec1_005528 CC1(C)NN1CCCN2NC2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L07 compound treatment -0.03 0.0994 0.14 0.252 0.323 0.64 0.161 0.211061435973353 0.406510062646442 0.685 0.8895 1273515 TimTec1_005529 OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc2ccc(Oc3ccccc3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L08 compound treatment -0.937 -0.808 -1.15 -0.362 -0.291 -0.57 -0.243 -0.192938564026647 -0.371604918670642 -1.2087 -0.9045 1548568 TimTec1_005530 C=CCNC(=O)C1CC1(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L09 compound treatment 0.429 0.558 0.79 -2.988 -2.92 -5.76 -2.192 -2.14193856402665 -4.12543189537113 -5.2483 -0.7363 3211218 TimTec1_005531 Cc1ccc2nc(sc2c1)c3ccc(/N=C\c4ccc[nH]4)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L10 compound treatment -0.926 -0.797 -1.13 -0.585 -0.514 -1.01 -0.808 -0.757938564026647 -1.45981027620567 -2.0822 -0.9879 1209920 TimTec1_005532 OCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L11 compound treatment 0.0 0.129 0.18 0.22 0.291 0.58 0.044 0.094061435973353 0.181164882413524 0.5431 0.861 1148781 TimTec1_005533 CCN(CC)C(=O)c1ccc(o1)C(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L12 compound treatment 0.354 0.483 0.69 -3.195 -3.12 -6.17 -1.815 -1.76493856402665 -3.39931964795395 -5.1266 -0.7245 3211219 TimTec1_005534 CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L13 compound treatment 0.286 0.415 0.59 -0.087 -0.0156 -0.03 0.0 0.050061435973353 0.096419686428495 0.3789 0.6324 1175161 TimTec1_005535 O=P(CCN1CCOCC1)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L14 compound treatment 0.349 0.478 0.68 0.068 0.139 0.28 0.182 0.232061435973353 0.446956633457479 0.8097 0.9424 3086492 TimTec1_005536 OC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L15 compound treatment -0.226 -0.0966 -0.14 0.176 0.247 0.49 0.125 0.175061435973353 0.337173084113236 0.3975 0.6523 3211220 TimTec1_005537 CCOC(=O)CC1=C(C#N)C(C(=C(N)O1)C(=O)OCC)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L16 compound treatment -0.408 -0.279 -0.4 -0.196 -0.125 -0.25 -0.255 -0.204938564026647 -0.394717244848378 -0.5986 -0.9798 1174009 TimTec1_005538 CCCSc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L17 compound treatment 0.09 0.219 0.31 -0.203 -0.132 -0.26 0.054 0.104061435973353 0.200425154228303 0.1458 0.3221 3211221 TimTec1_005539 COc1cc(/C=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc(OC)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L18 compound treatment -0.095 0.0344 0.05 -0.664 -0.593 -1.17 -0.391 -0.340938564026647 -0.656656941529376 -1.0264 -0.7645 3211222 TimTec1_005540 CC(=O)N1c2ccccc2C3=NNC(=S)NC13O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L19 compound treatment 0.311 0.44 0.63 0.45 0.521 1.03 0.538 0.588061435973353 1.13262231006362 1.6099 0.9735 3086496 TimTec1_005541 COc1cc(/C=N/c2ccc(\N=C\c3ccc(OC(=O)C)c(OC)c3)cc2)ccc1OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L20 compound treatment -0.515 -0.386 -0.55 -0.068 0.00344 0.01 -0.268 -0.217938564026647 -0.419755598207591 -0.5549 -0.8037 3211223 TimTec1_005542 O=C/1N(C2CCCC2)/C(=N\c3ccccc3)/S\C1=C\c4c[nH]c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L21 compound treatment -0.052 0.0774 0.11 0.429 0.5 0.99 0.611 0.661061435973353 1.27322229431151 1.3691 0.8475 1270230 TimTec1_005543 COC(=O)C1=C(N)N(C2=C(C1c3ccc(OC)cc3)C(=O)CCC2)c4ccc(C)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L22 compound treatment -0.593 -0.464 -0.66 -0.392 -0.321 -0.63 -1.338 -1.28793856402665 -2.48060468238898 -2.1782 -0.8239 3086498 TimTec1_005544 CC(C)/C=N/N1C(C(C)C)C(C#N)(C#N)C(=C1N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L23 mock treatment 0.057 0.186 0.27 0.036 0.107 0.21 -0.088 -0.037938564026647 -0.073070705541563 0.2333 0.6719 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 L24 mock treatment -1.377 -1.25 -1.77 0.22 0.291 0.58 0.091 0.141061435973353 0.271688159942987 -0.535 -0.2839 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M01 compound treatment -0.56 -0.431 -0.61 0.236 0.307 0.61 -0.095 -0.044938564026647 -0.0865528958119085 -0.053 -0.0611 1414805 TimTec1_005545 CC(NC(=O)OCc1ccccc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M02 compound treatment 0.039 0.168 0.24 0.009 0.0804 0.16 1.011 1.06106143597335 2.03290179787394 1.4036 0.6837 3086501 TimTec1_005546 CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(=C(C#N)C1c3ccc(F)cc3)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M03 compound treatment -0.153 -0.0236 -0.03 -0.286 -0.215 -0.42 -0.075 -0.024938564026647 -0.0480323521823499 -0.2917 -0.682 1514197 TimTec1_005547 Cc1cccc(NCN2C(=O)CSC2=O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M04 compound treatment 0.0 0.129 0.18 0.424 0.495 0.98 -0.231 -0.180938564026647 -0.348492592492907 0.4698 0.4455 1084346 TimTec1_005548 CCOC(=O)Cc1nc2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M05 compound treatment 0.174 0.303 0.43 -0.344 -0.273 -0.54 0.0 0.050061435973353 0.096419686428495 -0.006 -0.0086 1367503 TimTec1_005549 CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M06 compound treatment -0.076 0.0534 0.08 0.056 0.127 0.25 -0.385 -0.334938564026647 -0.645100778440509 -0.1833 -0.2632 1003422 TimTec1_005550 CC(=O)Oc1ccc(cc1)C(=O)c2ccc(OC(=O)C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M07 compound treatment -0.623 -0.494 -0.7 -0.372 -0.301 -0.59 -0.079 -0.028938564026647 -0.0557364609082616 -0.78 -0.8471 3085493 TimTec1_005551 CC1=C(N(N/C(=N\CC=C)/S1)c2ccc3OCCOc3c2)C(=O)Nc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M08 compound treatment -0.119 0.0104 0.01 0.036 0.107 0.21 -0.211 -0.160938564026647 -0.309972048863349 -0.0479 -0.1275 1442839 TimTec1_005552 OCCN1CCN(CC1)C(=O)Nc2cccc(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M09 compound treatment -0.354 -0.225 -0.32 0.018 0.0894 0.18 0.09 0.140061435973353 0.269762132761509 0.0733 0.1616 1468923 TimTec1_005553 CCOC(=O)c1c(N)cc2[nH]c(=S)[nH]c(=O)c2c1c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M10 compound treatment -0.052 0.0774 0.11 -0.164 -0.0926 -0.18 -0.065 -0.014938564026647 -0.0287720803675706 -0.0586 -0.2722 3085496 TimTec1_005554 Cc1ccccc1c2nccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M11 compound treatment -0.384 -0.255 -0.36 -0.831 -0.76 -1.5 -0.896 -0.845938564026647 -1.62930066817573 -2.0156 -0.8982 1298715 TimTec1_005555 CCOC(=O)NS(=O)(=O)c1ccc(C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M12 compound treatment -0.083 0.0464 0.07 -0.373 -0.302 -0.6 -0.358 -0.307938564026647 -0.593098044540605 -0.6481 -0.7688 3211224 TimTec1_005556 Cc1ccc-2c(c1)/C(=C/c3ccncc3)/c4cc5ccccc5nc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M13 compound treatment 0.158 0.287 0.41 0.132 0.203 0.4 0.219 0.269061435973353 0.518219639172162 0.767 0.9928 1313295 TimTec1_005557 Cc1c(OCC(=O)OCc2ccccc2)ccc3c4ccccc4c(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M14 compound treatment -0.413 -0.284 -0.4 -0.108 -0.0366 -0.07 -0.391 -0.340938564026647 -0.656656941529376 -0.6536 -0.8445 1489666 TimTec1_005558 COC(=O)C(C)N(C(=O)c1c(F)cccc1F)c2c(C)cccc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M15 compound treatment -0.636 -0.507 -0.72 -0.421 -0.35 -0.69 -0.229 -0.178938564026647 -0.344640538129951 -1.0133 -0.9601 1632514 TimTec1_005559 Clc1ccccc1N2C(=O)CC(Nc3ccccc3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M16 compound treatment -0.208 -0.0786 -0.11 0.842 0.913 1.8 0.411 0.461061435973353 0.888016858015925 1.4895 0.7398 3085499 TimTec1_005560 CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M17 compound treatment 0.338 0.467 0.66 -0.017 0.0544 0.11 0.207 0.257061435973353 0.495107312994427 0.7316 0.8755 3211225 TimTec1_005561 CC1(C)OC(=O)N(Cc2ccccc2)C1=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M18 compound treatment -0.331 -0.202 -0.29 -0.1 -0.0286 -0.06 -0.074 -0.023938564026647 -0.0461063250008719 -0.2247 -0.7597 1242728 TimTec1_005562 Cc1ccc(NS(=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M19 compound treatment -0.477 -0.348 -0.49 -0.116 -0.0446 -0.09 -0.149 -0.098938564026647 -0.190558363611717 -0.4461 -0.8309 1175444 TimTec1_005563 CCOc1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M20 compound treatment -0.071 0.0584 0.08 -0.208 -0.137 -0.27 -0.182 -0.131938564026647 -0.254117260600489 -0.2544 -0.6701 1133231 TimTec1_005564 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M21 compound treatment 0.0 0.129 0.18 -0.268 -0.197 -0.39 -0.143 -0.092938564026647 -0.179002200522849 -0.2212 -0.4754 3085503 TimTec1_005565 COc1cc(/C=N/c2c(nc3ccccn23)c4ccc(O)c(OC)c4)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M22 compound treatment -0.22 -0.0906 -0.13 -0.168 -0.0966 -0.19 -0.269 -0.218938564026647 -0.421681625389069 -0.4279 -0.8908 3211226 TimTec1_005566 CC(=O)N1CC=C2[C@H](C1)[C@@H](c3ccc(F)cc3F)C(C#N)(C#N)C(=C2C#N)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M23 mock treatment -1.547 -1.42 -2.02 -0.321 -0.25 -0.49 -0.642 -0.591938564026647 -1.14008976408034 -2.1064 -0.8897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 M24 mock treatment -0.5 -0.371 -0.53 -0.183 -0.112 -0.22 0.157 0.207061435973353 0.39880595392053 -0.2011 -0.2888 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N01 compound treatment -0.476 -0.347 -0.49 -0.367 -0.296 -0.58 -0.094 -0.043938564026647 -0.0846268686304306 -0.6703 -0.8722 2116249 TimTec1_005567 O=C/1NC(=S)N(C(=O)\C1=C\c2c[nH]c3ccccc23)c4cccc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N02 compound treatment -0.366 -0.237 -0.34 -0.118 -0.0466 -0.09 0.068 0.118061435973353 0.227389534768994 -0.116 -0.2787 1630568 TimTec1_005568 CC(=Cc1c(O)nc2ccccn2c1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N03 compound treatment -0.372 -0.243 -0.34 0.2 0.271 0.54 0.388 0.438061435973353 0.843718232841933 0.5974 0.565 1455275 TimTec1_005569 CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c3nc4ccccc4cc31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N04 compound treatment -0.093 0.0364 0.05 0.0 0.0714 0.14 -0.1 -0.049938564026647 -0.0961830317192982 0.0558 0.3127 1423540 TimTec1_005570 CCNC(=O)C1CN(C(=O)C1)c2ccc(C)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N05 compound treatment -1.286 -1.16 -1.64 -0.561 -0.49 -0.97 -0.288 -0.237938564026647 -0.458276141837149 -1.7721 -0.9033 3211227 TimTec1_005571 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N06 compound treatment -1.186 -1.06 -1.5 -0.754 -0.683 -1.35 -1.34 -1.28993856402665 -2.48445673675193 -3.0798 -0.9622 3085508 TimTec1_005572 CCOC(=O)Cn/1c(cs\c1=N/c2ccc(F)cc2)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N07 compound treatment -0.491 -0.362 -0.51 -0.224 -0.153 -0.3 -0.174 -0.123938564026647 -0.238709043148665 -0.6086 -0.9481 3211228 TimTec1_005573 S=c1[nH]nc([nH]1)C2CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N08 compound treatment -0.194 -0.0646 -0.09 0.067 0.138 0.27 0.229 0.279061435973353 0.537479910986941 0.4151 0.6806 1670836 TimTec1_005574 COc1ccc2C(=O)C(CCc2c1C)C3(O)C(=O)N(C)c4ccccc43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N09 compound treatment 0.215 0.344 0.49 0.189 0.26 0.51 0.415 0.465061435973353 0.895720966741837 1.0968 0.9595 2116264 TimTec1_005575 Cc1[nH]c2ccccc2c1/C=N/c3ccc(\N=C\c4c(C)[nH]c5ccccc45)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N10 compound treatment 0.118 0.247 0.35 0.098 0.169 0.33 0.0 0.050061435973353 0.096419686428495 0.4519 0.9131 1703166 TimTec1_005576 Cn1c(SCC(=O)N2CCCCC2)nc3n(C)c(=O)n(C)c(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N11 compound treatment 0.453 0.582 0.83 -0.704 -0.633 -1.25 -1.267 -1.21693856402665 -2.34385675250404 -1.5963 -0.5738 3211229 TimTec1_005577 COc1ccc(cc1)n2nc(C#N)c(N)c(C#N)c2=N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N12 compound treatment -0.075 0.0544 0.08 -0.016 0.0554 0.11 0.043 0.093061435973353 0.179238855232046 0.2113 0.9443 3085531 TimTec1_005578 O=C(Cn1nnc2ccccc12)C3CC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N13 compound treatment -2.033 -1.9 -2.71 -1.586 -1.51 -2.99 -1.045 -0.994938564026647 -1.91627871821594 -4.3955 -0.9843 1157884 TimTec1_005579 Cc1ccc(cc1C)c2csc(Nc3ccc4OCOc4c3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N14 compound treatment -0.299 -0.17 -0.24 0.25 0.321 0.63 0.267 0.317061435973353 0.610668943883103 0.5798 0.6349 1380401 TimTec1_005580 CCOc1ccc(cc1)N2C(=O)CC(N(Cc3ccc(Cl)cc3)C(=O)c4ccc(Cl)cc4)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N15 compound treatment -0.724 -0.595 -0.85 -0.532 -0.461 -0.91 -0.262 -0.211938564026647 -0.408199435118723 -1.2488 -0.9555 3085535 TimTec1_005581 OC(=O)CN1C(=O)/C(=C\c2ccsc2)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N16 compound treatment -1.013 -0.884 -1.26 -0.5 -0.429 -0.85 -0.554 -0.503938564026647 -0.970599372110279 -1.7742 -0.9862 3211425 TimTec1_005582 Oc1ccccc1/C=N/c2ccc3nc(SCC(=O)NCCOc4ccccc4)sc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N17 compound treatment -0.944 -0.815 -1.16 -0.375 -0.304 -0.6 -0.059 -0.008938564026647 -0.017215917278703 -1.0247 -0.7857 1583377 TimTec1_005583 CC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N18 compound treatment 0.841 0.97 1.38 0.545 0.616 1.22 1.079 1.12906143597335 2.09527251114422 2.709 0.9715 1137144 TimTec1_005584 Nc1nnc(CCN2CCCCC2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N19 compound treatment 0.293 0.422 0.6 0.058 0.129 0.26 0.433 0.483061435973353 0.930389456008439 1.0315 0.9076 3211426 TimTec1_005585 CC1=C(C(NC(=O)N1)c2ccc3OCOc3c2)C(=O)OCC(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N20 compound treatment -0.391 -0.262 -0.37 -0.552 -0.481 -0.95 -0.247 -0.196938564026647 -0.379309027396554 -0.9816 -0.9026 3211427 TimTec1_005586 COc1cc(/C=C\2/S/C(=N/Cc3ccccc3)/N(Cc4ccccc4)C2=O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N21 compound treatment 0.473 0.602 0.86 0.733 0.804 1.59 0.261 0.311061435973353 0.599112780794235 1.7574 0.9243 3085538 TimTec1_005587 Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N22 compound treatment -0.014 0.115 0.16 -0.453 -0.382 -0.75 -0.069 -0.018938564026647 -0.0364761890934823 -0.3613 -0.4681 1176605 TimTec1_005588 Fc1ccc(cc1)c2nc3c([nH]2)c4ccccc4c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N23 mock treatment -0.131 -0.00159 0.0 -0.076 -0.00456 -0.01 0.257 0.307061435973353 0.591408672068323 0.3349 0.5663 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 N24 mock treatment 0.123 0.252 0.36 -0.081 -0.00956 -0.02 -0.058 -0.00793856402664701 -0.015289890097225 0.1875 0.5212 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O01 compound treatment 0.241 0.37 0.53 -0.076 -0.00456 -0.01 -0.094 -0.043938564026647 -0.0846268686304306 0.25 0.4686 1527225 TimTec1_005589 CCc1cc2c(=O)c(c3nc4ccccc4[nH]3)c(C)oc2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O02 compound treatment 0.383 0.512 0.73 0.416 0.487 0.96 0.417 0.467061435973353 0.899573021104793 1.4957 0.9935 3085541 TimTec1_005590 NC1=C(C#N)C2=CCSC[C@H]2[C@H](c3cccc(Cl)c3)C1(C#N)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O03 compound treatment -0.718 -0.589 -0.84 0.179 0.25 0.49 0.03 0.080061435973353 0.154200501872833 -0.1086 -0.1104 1190084 TimTec1_005591 CCOc1ccccc1C(=O)NCCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O04 compound treatment -0.714 -0.585 -0.83 -0.129 -0.0576 -0.11 -0.065 -0.014938564026647 -0.0287720803675706 -0.5621 -0.6697 1047189 TimTec1_005592 Clc1ccc(cc1)S(=O)(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O05 compound treatment -0.6 -0.471 -0.67 0.462 0.533 1.05 0.222 0.272061435973353 0.523997720716596 0.5244 0.3874 3211428 TimTec1_005593 CC(C)(C)OC(=O)C1CCC(CN1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O06 compound treatment -0.221 -0.0916 -0.13 -0.407 -0.336 -0.66 0.119 0.169061435973353 0.325616921024369 -0.2697 -0.3598 1652072 TimTec1_005594 COC(=O)C1C(C(C(=O)OC)C(C)(O)CC1=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O07 compound treatment -0.591 -0.462 -0.66 -0.758 -0.687 -1.36 -0.557 -0.506938564026647 -0.976377453654713 -1.7253 -0.9612 3211429 TimTec1_005595 Clc1cccc(NC(=O)N=C2NCCCCCN2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O08 compound treatment -0.108 0.0214 0.03 0.0 0.0714 0.14 0.029 0.079061435973353 0.152274474691355 0.1869 0.891 1649723 TimTec1_005596 CC(C)CN1C(=O)N(C(n2oc(=O)n(c3ccccc3)c2=O)C1(C)C)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O09 compound treatment -0.081 0.0484 0.07 0.014 0.0854 0.17 -1.167 -1.11693856402665 -2.15125403435625 -1.1049 -0.5118 1511407 TimTec1_005597 CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O10 compound treatment 0.108 0.237 0.34 -0.343 -0.272 -0.54 0.053 0.103061435973353 0.198499127046825 -1.0E-4 -1.0E-4 3085546 TimTec1_005598 Cc1ccccc1c2ccc3cccc(C)c3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O11 compound treatment -0.135 -0.00559 -0.01 -0.674 -0.603 -1.19 -1.114 -1.06393856402665 -2.04917459373792 -1.8746 -0.7911 3211430 TimTec1_005599 S(c1nnc[nH]1)c2nc3ccccc3nc2Sc4nnc[nH]4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O12 compound treatment -0.045 0.0844 0.12 -0.486 -0.415 -0.82 -0.657 -0.606938564026647 -1.16898017180251 -1.0782 -0.7529 1067246 TimTec1_005600 COc1ccc(C)c2C(=O)CCCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O13 compound treatment -0.579 -0.45 -0.64 -0.515 -0.444 -0.88 -0.277 -0.226938564026647 -0.437089842840892 -1.1271 -0.9641 1520144 TimTec1_005601 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc(F)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O14 compound treatment 0.476 0.605 0.86 0.477 0.548 1.08 0.444 0.494061435973353 0.951575755004697 1.6716 0.9956 1641803 TimTec1_005602 Clc1cc(OC(=O)C2CCCCC2)ccc1OC(=O)C3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O15 compound treatment -0.254 -0.125 -0.18 0.754 0.825 1.63 0.762 0.812061435973353 1.56405239871468 1.7417 0.7687 3211431 TimTec1_005603 OC1=C(C#N)[C@@H]([C@H](C(=O)N1CCc2ccccc2)[n+]3ccccc3)c4ccc(Cl)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O16 compound treatment -0.556 -0.427 -0.61 -0.412 -0.341 -0.67 -0.25 -0.199938564026647 -0.385087108940988 -0.9607 -0.9763 1578376 TimTec1_005604 Cc1cc(=O)oc2cc(OC(=O)c3cc4ccccc4o3)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O17 compound treatment 0.467 0.596 0.85 0.254 0.325 0.64 -0.049 0.00106143597335299 0.00204435453607635 0.8617 0.81 3211432 TimTec1_005605 CCc1nc(SC/C=C/c2ccccc2)c(C#N)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O18 compound treatment -0.117 0.0124 0.02 0.069 0.14 0.28 0.594 0.644061435973353 1.24047983222639 0.8865 0.6973 1218415 TimTec1_005606 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(OCC(=O)N3CCCCC3)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O19 compound treatment 0.181 0.31 0.44 -0.258 -0.187 -0.37 -0.069 -0.018938564026647 -0.0364761890934823 0.0211 0.0366 1784221 TimTec1_005607 CCc1oc2ccccc2c1C(=O)CCN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O20 compound treatment 0.109 0.238 0.34 0.113 0.184 0.36 0.132 0.182061435973353 0.350655274383582 0.6084 0.9996 3085555 TimTec1_005608 Cc1c(Cl)cccc1NC2=NS(=O)(=O)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O21 compound treatment -0.108 0.0214 0.03 -0.13 -0.0586 -0.12 0.0 0.050061435973353 0.096419686428495 0.0065 0.0422 1638741 TimTec1_005609 CC(C)NC(=O)C1CN(CCN1S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O22 compound treatment 0.065 0.194 0.28 -0.419 -0.348 -0.69 -0.526 -0.475938564026647 -0.916670611028897 -0.7659 -0.6502 3211433 TimTec1_005610 COc1ccc(cc1)C(=O)CSc2nsc(SCC(=O)c3ccc(OC)cc3)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O23 mock treatment 0.0 0.129 0.18 0.138 0.209 0.41 0.115 0.165061435973353 0.317912812298457 0.5285 0.9556 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 O24 mock treatment -0.406 -0.277 -0.39 -0.027 0.0444 0.09 -0.015 0.035061435973353 0.067529278706326 -0.1374 -0.3363 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P01 compound treatment -0.617 -0.488 -0.69 -0.273 -0.202 -0.4 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.6311 -0.7895 3085557 TimTec1_005611 Oc1ccc(Br)cc1/C=N/CC2CCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P02 compound treatment -0.585 -0.456 -0.65 -0.389 -0.318 -0.63 -0.096 -0.045938564026647 -0.0884789229933864 -0.7871 -0.8689 1175377 TimTec1_005612 Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P03 compound treatment -0.449 -0.32 -0.45 -0.304 -0.233 -0.46 -0.036 0.014061435973353 0.0270827078952895 -0.5118 -0.7916 3211434 TimTec1_005613 Cc1ccccc1c2nnc3-c4ccccc4CC(C)(C)n23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P04 compound treatment -0.098 0.0314 0.04 0.135 0.206 0.41 0.07 0.120061435973353 0.23124158913195 0.3946 0.8383 1673398 TimTec1_005614 CCCC1C(C2c3ccccc3C1c4ccccc24)C(=O)Nc5ccccc5OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P05 compound treatment 0.034 0.163 0.23 -0.157 -0.0856 -0.17 -0.164 -0.113938564026647 -0.219448771333886 -0.0901 -0.2492 1642050 TimTec1_005615 N#Cc1ccc(cc1C#N)n2nnc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P06 compound treatment -0.257 -0.128 -0.18 -0.664 -0.593 -1.17 -0.175 -0.124938564026647 -0.240635070330143 -0.9192 -0.7608 1492547 TimTec1_005616 CC1(C)CC(=O)c2cc(c3ccc(Br)cc3)n(CC(=O)O)c2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P07 compound treatment -0.065 0.0644 0.09 0.211 0.282 0.56 -0.124 -0.073938564026647 -0.142407684074769 0.2926 0.5021 3085561 TimTec1_005617 Oc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P08 compound treatment -0.778 -0.649 -0.92 -0.29 -0.219 -0.43 0.186 0.236061435973353 0.45466074218339 -0.5191 -0.4655 3211435 TimTec1_005618 CCOc1ccc2ccccc2c1/C=C/3\C(=O)NC(=S)N(C3=O)c4cccc(Cl)c4Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P09 compound treatment 0.375 0.504 0.72 -0.274 -0.203 -0.4 -0.069 -0.018938564026647 -0.0364761890934823 0.1621 0.1972 3085562 TimTec1_005619 COc1cccc(c1)c2nnc(SCC(=O)NCCOc3ccccc3)n2c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P10 compound treatment -0.434 -0.305 -0.43 0.181 0.252 0.5 -0.348 -0.297938564026647 -0.573837772725825 -0.2936 -0.3356 3211436 TimTec1_005620 Cn1cnnc1SCN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P11 compound treatment -0.124 0.00541 0.01 -0.294 -0.223 -0.44 -0.623 -0.572938564026647 -1.10349524763226 -0.8864 -0.7462 1443624 TimTec1_005621 CCOP(=O)(C)C1(CC1)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P12 compound treatment 0.017 0.146 0.21 0.013 0.0844 0.17 0.159 0.209061435973353 0.402658008283486 0.4489 0.9295 1354424 TimTec1_005622 CCN(CC)C(=O)C1(CC1)P(=O)(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P13 compound treatment -0.111 0.0184 0.03 -0.147 -0.0756 -0.15 -0.155 -0.104938564026647 -0.202114526700584 -0.1877 -0.7432 1466364 TimTec1_005623 COCc1cc(C)c2c(n1)sc3c4nc5ccccc5n4c(C)nc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P14 compound treatment -0.114 0.0154 0.02 0.068 0.139 0.28 0.094 0.144061435973353 0.277466241487421 0.3318 0.8475 3211437 TimTec1_005624 C=CCN/1C(=O)/C(=C\c2cccs2)/S\C1=N\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P15 compound treatment -0.067 0.0624 0.09 0.344 0.415 0.82 0.315 0.365061435973353 0.703118248594043 0.9308 0.8586 1444037 TimTec1_005625 Nc1nc(CCc2ccccc2)c(C#N)c(N)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P16 compound treatment -0.296 -0.167 -0.24 -0.439 -0.368 -0.73 -0.2 -0.149938564026647 -0.288785749867091 -0.7225 -0.8852 3085567 TimTec1_005626 COc1ccc2NC(=O)/C(=C/3\SC(=S)NC3=O)/c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P17 compound treatment -0.5 -0.371 -0.53 -0.389 -0.318 -0.63 -0.393 -0.342938564026647 -0.660508995892332 -1.0476 -0.9956 1603829 TimTec1_005627 Nc1nc(CSc2nc3ccccc3s2)nc(Nc4ccccc4)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P18 compound treatment 0.0 0.129 0.18 0.318 0.389 0.77 0.047 0.097061435973353 0.186942963957958 0.6581 0.81 1171831 TimTec1_005628 Cc1ccc(Nc2nc(C)nc3c4ccccc4oc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P19 compound treatment 0.118 0.247 0.35 -0.913 -0.842 -1.66 0.39 0.440061435973353 0.847570287204888 -0.2669 -0.1406 1524350 TimTec1_005629 COC(=O)c1ccc(NC(=O)Cn2nc(SC)n(N)c2=S)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P20 compound treatment -0.284 -0.155 -0.22 -0.062 0.00944 0.02 -0.347 -0.296938564026647 -0.571911745544347 -0.4463 -0.7281 3211438 TimTec1_005630 CCOC(=O)/C=C/c1ccco1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P21 compound treatment 0.222 0.351 0.5 -0.745 -0.674 -1.33 -0.012 0.038061435973353 0.0733073602507598 -0.4371 -0.3072 3211439 TimTec1_005631 CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P22 compound treatment -0.408 -0.279 -0.4 0.282 0.353 0.7 0.443 0.493061435973353 0.949649727823219 0.7225 0.5811 3085589 TimTec1_005632 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)ccc1OCC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P23 mock treatment -0.207 -0.0776 -0.11 -0.034 0.0374 0.07 -0.176 -0.125938564026647 -0.242561097511621 -0.1611 -0.5824 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2078 P24 mock treatment -0.339 -0.21 -0.3 0.0 0.0714 0.14 0.377 0.427061435973353 0.822531933845675 0.3843 0.4337 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A01 compound treatment -0.16 -0.0306 -0.04 0.192 0.263 0.52 0.531 0.581061435973353 1.11914011979328 0.9213 0.7461 3211440 TimTec1_005633 CC(=O)n1cc(/C=c\2/sc3nc4c(C)c(C)ccc4n3c2=O)c(n1)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A02 compound treatment 0.208 0.337 0.48 0.397 0.468 0.92 0.295 0.345061435973353 0.664597704964485 1.1947 0.9667 3085592 TimTec1_005634 Cc1nc(N)sc1c2csc(Nc3cccc(Cl)c3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A03 compound treatment -0.797 -0.668 -0.95 -0.559 -0.488 -0.96 -0.372 -0.321938564026647 -0.620062425081296 -1.4618 -0.9828 3211529 TimTec1_005635 CCC(=O)N1N=C(CC1(O)c2ccc(F)cc2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A04 compound treatment -0.27 -0.141 -0.2 0.078 0.149 0.3 -0.154 -0.103938564026647 -0.200188499519106 -0.0606 -0.1483 1419705 TimTec1_005636 CC1CCC(=C(C#N)C(=O)NCc2ccccc2)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A05 compound treatment -0.369 -0.24 -0.34 -0.083 -0.0116 -0.02 -0.405 -0.354938564026647 -0.683621322070067 -0.6045 -0.7911 1732858 TimTec1_005637 Fc1ccc2C(=O)N(C3CCCCCCC3)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A06 compound treatment -0.161 -0.0316 -0.04 0.208 0.279 0.55 0.1 0.150061435973353 0.289022404576288 0.4595 0.7358 3211530 TimTec1_005638 Fc1ccc(cc1)C2Nc3ccc(OC(F)(F)F)cc3C4C=CCC42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A07 compound treatment -0.812 -0.683 -0.97 -0.489 -0.418 -0.82 -0.415 -0.364938564026647 -0.702881593884847 -1.4421 -0.9915 1737054 TimTec1_005639 Nn1c(CO)nc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A08 compound treatment -0.12 0.00941 0.01 -0.245 -0.174 -0.34 0.012 0.062061435973353 0.11953201260623 -0.1211 -0.3335 1175030 TimTec1_005640 CC(C)(O)c1cn2ccccc2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A09 compound treatment -0.236 -0.107 -0.15 0.123 0.194 0.38 -0.026 0.024061435973353 0.0463429797100688 0.1609 0.3874 1364286 TimTec1_005641 COc1ccc(cc1)C(CC#N)C2CCOC(C)(C)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A10 compound treatment -0.656 -0.527 -0.75 -0.595 -0.524 -1.03 -0.923 -0.872938564026647 -1.68130340207564 -1.9998 -0.9474 1357576 TimTec1_005642 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccs3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A11 compound treatment -0.48 -0.351 -0.5 -0.932 -0.861 -1.7 -0.963 -0.912938564026647 -1.75834448933475 -2.284 -0.9152 3211531 TimTec1_005643 CNC(=S)N(C)/N=C\1/C(=O)N(Cc2c(Cl)cccc2Cl)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A12 compound treatment 0.139 0.268 0.38 -0.689 -0.618 -1.22 -1.113 -1.06293856402665 -2.04724856655644 -1.6657 -0.6902 3085598 TimTec1_005644 CCc1nn2c(C)cc(O)nc2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A13 compound treatment -0.442 -0.313 -0.44 -0.077 -0.00556 -0.01 0.194 0.244061435973353 0.470068959635214 0.0085 0.0131 1530862 TimTec1_005645 C1Cc2c(C1)c3c(ccc4ccccc43)nc2c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A14 compound treatment -1.014 -0.885 -1.26 -1.276 -1.2 -2.38 -1.0 -0.949938564026647 -1.82960749504944 -3.1556 -0.9699 1575017 TimTec1_005646 CC1CN(OC(O1)c2ccc3OCOc3c2)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A15 compound treatment -0.978 -0.849 -1.21 -0.497 -0.426 -0.84 -1.082 -1.03193856402665 -1.98754172393063 -2.3292 -0.9421 3085600 TimTec1_005647 OC(=O)C1CC(=O)N(Cc2ccccc2)/C(=N/c3ccc(F)cc3)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A16 compound treatment -0.75 -0.621 -0.88 -0.781 -0.71 -1.4 -0.297 -0.246938564026647 -0.475610386470451 -1.5929 -0.9247 1628881 TimTec1_005648 CCC(N)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A17 compound treatment -0.754 -0.625 -0.89 -0.25 -0.179 -0.35 -0.851 -0.800938564026647 -1.54262944500922 -1.6069 -0.8856 3085602 TimTec1_005649 FC(F)(F)c1cccc(NCn2c(=S)oc3ccc(Cl)cc23)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A18 compound treatment -0.948 -0.819 -1.16 -1.163 -1.09 -2.16 -0.972 -0.921938564026647 -1.77567873396805 -2.9415 -0.9723 1127153 TimTec1_005650 CC(C)c1ccccc1NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A19 compound treatment -0.379 -0.25 -0.35 -0.07 0.00144 0.0 -0.143 -0.092938564026647 -0.179002200522849 -0.3066 -0.7714 1348096 TimTec1_005651 CN(C)c1nc2n(C)c(=O)n(C)c(=O)c2n1CC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A20 compound treatment -0.418 -0.289 -0.41 -0.308 -0.237 -0.47 -0.687 -0.636938564026647 -1.22676098724684 -1.2148 -0.8833 1611764 TimTec1_005652 COC(=O)CCn1cc(F)c(N)nc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A21 compound treatment 0.239 0.368 0.52 -0.018 0.0534 0.11 -0.228 -0.177938564026647 -0.342714510948473 0.1655 0.2607 1564099 TimTec1_005653 CN(C)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A22 compound treatment 0.211 0.34 0.48 0.447 0.518 1.02 0.36 0.410061435973353 0.78978947176055 1.3264 0.9608 1394944 TimTec1_005654 C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A23 mock treatment -1.255 -1.13 -1.6 0.033 0.104 0.21 0.15 0.200061435973353 0.385323763650185 -0.5824 -0.3511 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 A24 mock treatment -0.493 -0.364 -0.52 0.0 0.0714 0.14 0.042 0.092061435973353 0.177312828050568 -0.1146 -0.2031 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B01 compound treatment 0.115 0.244 0.35 0.362 0.433 0.86 0.385 0.435061435973353 0.837940151297499 1.1785 0.945 3211532 TimTec1_005655 SC1=NC(=O)/C(=C\c2cccnc2)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B02 compound treatment -0.409 -0.28 -0.4 -0.238 -0.167 -0.33 -0.216 -0.165938564026647 -0.319602184770738 -0.6039 -0.9951 1491875 TimTec1_005656 COc1ccc(cc1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B03 compound treatment -0.89 -0.761 -1.08 -0.359 -0.288 -0.57 -0.463 -0.412938564026647 -0.795330898595787 -1.4113 -0.9683 3085609 TimTec1_005657 Cc1nn(c(O)c1CCC#N)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B04 compound treatment -0.614 -0.485 -0.69 -0.292 -0.221 -0.44 -0.236 -0.185938564026647 -0.358122728400297 -0.856 -0.9615 3211533 TimTec1_005658 FC(F)(F)C(NCC1(CC2CC3CC(C2)C1)C3)(NC(=O)c4ccccc4)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B05 compound treatment -0.963 -0.834 -1.19 -0.421 -0.35 -0.69 -0.309 -0.258938564026647 -0.498722712648186 -1.3707 -0.9392 3085612 TimTec1_005659 COc1cc(NC=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B06 compound treatment -0.785 -0.656 -0.93 -0.279 -0.208 -0.41 -0.654 -0.603938564026647 -1.16320209025807 -1.4463 -0.9356 3085613 TimTec1_005660 Cc1cc(cc(C)c1O)C(O)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B07 compound treatment 0.05 0.179 0.26 -0.288 -0.217 -0.43 -0.121 -0.070938564026647 -0.136629602530335 -0.1785 -0.3457 3211534 TimTec1_005661 FC(F)(F)c1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B08 compound treatment -0.026 0.103 0.15 0.632 0.703 1.39 0.569 0.619061435973353 1.19232915268944 1.5752 0.8577 1339353 TimTec1_005662 CCc1ccc(cc1)C(=O)c2c(c(c3cc(ccn23)C(C)(C)C)S(=O)(=O)CC)S(=O)(=O)CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B09 compound treatment -0.267 -0.138 -0.2 -0.161 -0.0896 -0.18 -0.081 -0.030938564026647 -0.0595885152712175 -0.2494 -0.9227 1735427 TimTec1_005663 CC1(C)CC(=O)CC(C)(C)N1OC(=O)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B10 compound treatment 0.11 0.239 0.34 0.333 0.404 0.8 0.526 0.576061435973353 1.10950998388589 1.2982 0.9215 1503527 TimTec1_005664 CCC(NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B11 compound treatment 0.364 0.493 0.7 -2.294 -2.22 -4.39 -3.028 -2.97793856402665 -5.73559061908668 -5.4401 -0.7498 1555325 TimTec1_005665 CCOc1ccccc1NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B12 compound treatment 0.016 0.145 0.21 -0.403 -0.332 -0.65 -0.648 -0.597938564026647 -1.1516459271692 -0.9235 -0.6888 3085617 TimTec1_005666 COc1ccc(/C=N/n2c(=O)c(nn3cnnc23)C(C)(C)C)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B13 compound treatment -0.203 -0.0736 -0.1 -0.483 -0.412 -0.81 -0.222 -0.171938564026647 -0.331158347859606 -0.7208 -0.8156 1402991 TimTec1_005667 Cc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B14 compound treatment 0.315 0.444 0.63 0.234 0.305 0.6 0.0 0.050061435973353 0.096419686428495 0.7687 0.8747 3085619 TimTec1_005668 CC/N=C\1/S/C(=C/c2sccc2C)/C(=O)N1CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B15 compound treatment -0.565 -0.436 -0.62 0.617 0.688 1.36 0.134 0.184061435973353 0.354507328746538 0.6319 0.4116 1257857 TimTec1_005669 OC1=C(C(C#Cc2ccccc2)C3=C(O)CCCC3=O)C(=O)CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B16 compound treatment -0.162 -0.0326 -0.05 -0.049 0.0224 0.04 -0.171 -0.120938564026647 -0.232930961604231 -0.1357 -0.5615 1631021 TimTec1_005670 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3c(C)ccc4nsnc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B17 compound treatment -1.083 -0.954 -1.36 -0.404 -0.333 -0.66 -0.235 -0.184938564026647 -0.356196701218819 -1.3675 -0.8834 1219783 TimTec1_005671 COc1ccc(cc1)N2C(=O)NC(=O)C(Cc3ccc(O)c(OC)c3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B18 compound treatment -0.636 -0.507 -0.72 -0.333 -0.262 -0.52 -0.41 -0.359938564026647 -0.693251457977457 -1.1143 -0.9903 3211535 TimTec1_005672 Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2)n[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B19 compound treatment -0.831 -0.702 -1.0 -0.654 -0.583 -1.15 -0.773 -0.722938564026647 -1.39239932485395 -2.0439 -0.9906 1033315 TimTec1_005673 Cc1cc(C)n(n1)C(=S)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B20 compound treatment -0.562 -0.433 -0.62 -0.108 -0.0366 -0.07 -0.343 -0.292938564026647 -0.564207636818436 -0.7225 -0.8625 3085624 TimTec1_005674 CSc1snc(O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B21 compound treatment -1.154 -1.02 -1.46 -1.807 -1.74 -3.43 -1.212 -1.16193856402665 -2.23792525752276 -4.1116 -0.9464 3211536 TimTec1_005675 CCc1ccc(cc1)C2=Nn3c(C)nnc3SC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B22 compound treatment 0.012 0.141 0.2 -0.328 -0.257 -0.51 -0.212 -0.161938564026647 -0.311898076044827 -0.3565 -0.5677 3085626 TimTec1_005676 O=C(Nc1cccc(c1)c2nnc(o2)c3ccco3)C(c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B23 mock treatment 0.244 0.373 0.53 0.074 0.145 0.29 0.311 0.361061435973353 0.695414139868132 0.8738 0.9489 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 B24 mock treatment -0.194 -0.0646 -0.09 0.131 0.202 0.4 -0.042 0.00806143597335299 0.0155265448064219 0.1867 0.4549 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C01 compound treatment -0.18 -0.0506 -0.07 0.029 0.1 0.2 0.032 0.082061435973353 0.158052556235789 0.1642 0.623 1675170 TimTec1_005677 C(Oc1cccc(c1)c2nnc3ccc4ccccc4n23)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C02 compound treatment -0.426 -0.297 -0.42 0.052 0.123 0.24 0.333 0.383061435973353 0.737786737860646 0.3232 0.3656 1346658 TimTec1_005678 Fc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C03 compound treatment -1.288 -1.16 -1.65 -0.409 -0.338 -0.67 -0.333 -0.282938564026647 -0.544947365003656 -1.6505 -0.888 3085628 TimTec1_005679 COC(C)n1cc(Br)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C04 compound treatment -0.241 -0.112 -0.16 -0.652 -0.581 -1.15 -0.475 -0.424938564026647 -0.818443224773522 -1.226 -0.8649 1681244 TimTec1_005680 Cc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C05 compound treatment -0.966 -0.837 -1.19 -0.719 -0.648 -1.28 -0.262 -0.211938564026647 -0.408199435118723 -1.6606 -0.926 3085667 TimTec1_005681 Fc1ccc2C(=O)N(N3CCOCC3)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C06 compound treatment -0.077 0.0524 0.07 -0.483 -0.412 -0.81 -0.359 -0.308938564026647 -0.595024071722082 -0.7697 -0.7621 1270347 TimTec1_005682 Cn1c(=N)n(CC(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C07 compound treatment 0.384 0.513 0.73 0.292 0.363 0.72 0.068 0.118061435973353 0.227389534768994 0.967 0.9222 1454435 TimTec1_005683 CSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C08 compound treatment -0.349 -0.22 -0.31 -0.46 -0.389 -0.77 -0.136 -0.085938564026647 -0.165520010252504 -0.7188 -0.8509 1371600 TimTec1_005684 Cc1ccc(cc1)C(=O)Cn2c(=N)n(C)c3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C09 compound treatment -0.507 -0.378 -0.54 -1.03 -0.959 -1.89 -0.613 -0.562938564026647 -1.08423497581748 -2.0287 -0.9031 1605543 TimTec1_005685 CSC1=NC2(Cc3ccccc13)CCCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C10 compound treatment -0.186 -0.0566 -0.08 -0.09 -0.0186 -0.04 0.122 0.172061435973353 0.331395002568803 0.1237 0.3607 1564745 TimTec1_005686 CC(C)(O)C#Cc1ccc(cc1)C(=O)NCC(c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C11 compound treatment 0.162 0.291 0.41 0.013 0.0844 0.17 -0.297 -0.246938564026647 -0.475610386470451 0.0609 0.0933 3085653 TimTec1_005687 O=C(Nc1ccccc1)OCC23COC(N3C(OC2)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C12 compound treatment 0.203 0.332 0.47 -0.406 -0.335 -0.66 -0.6 -0.549938564026647 -1.05919662245826 -0.7201 -0.5395 1696532 TimTec1_005688 O=C1N(C(Nc2ccccc12)c3cccs3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C13 compound treatment 0.433 0.562 0.8 0.939 1.01 2.0 0.354 0.404061435973353 0.778233308671683 2.0629 0.9024 3211537 TimTec1_005689 Cc1ccc(/N=C/2\NC(=O)C(Cc3cccc(c3)C(F)(F)F)S2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C14 compound treatment -0.278 -0.149 -0.21 -0.239 -0.168 -0.33 0.092 0.142061435973353 0.273614187124465 -0.155 -0.324 1190215 TimTec1_005690 CC(C1Nc2ccccc2C(=O)N1c3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C15 compound treatment 0.925 1.05 1.5 1.831 1.9 2.7 1.121 1.17106143597335 2.13195974297628 3.6526 0.9742 1378935 TimTec1_005691 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc3CCCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C16 compound treatment -0.075 0.0544 0.08 0.091 0.162 0.32 0.103 0.153061435973353 0.294800486120722 0.4 0.9042 1327450 TimTec1_005692 CCC(=O)Nc1nonc1c2nc3ccccc3n2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C17 compound treatment -0.362 -0.233 -0.33 -0.131 -0.0596 -0.12 0.305 0.355061435973353 0.683857976779264 0.136 0.1769 3211622 TimTec1_005693 CCC(=O)NC(Nc1sc2CCCCc2c1C#N)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C18 compound treatment 0.724 0.853 1.21 1.415 1.49 2.45 1.053 1.10306143597335 2.07187273738302 3.3115 0.9653 1168333 TimTec1_005694 CC(C)CCN1NC2(CCCCC2)NC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C19 compound treatment -0.289 -0.16 -0.23 -0.431 -0.36 -0.71 0.097 0.147061435973353 0.283244323031854 -0.3774 -0.4733 3211623 TimTec1_005695 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)c4ccc(C)c(C)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C20 compound treatment -0.013 0.116 0.17 -0.825 -0.754 -1.49 -0.373 -0.322938564026647 -0.621988452262774 -1.1226 -0.6925 1532646 TimTec1_005696 Cn1nccc1C(=O)NCCN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C21 compound treatment 0.542 0.671 0.95 0.538 0.609 1.2 0.109 0.159061435973353 0.30635664920959 1.4228 0.9084 1534811 TimTec1_005697 COc1c(O)ccc2c(OC)c3ccoc3nc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C22 compound treatment -0.164 -0.0346 -0.05 -0.727 -0.656 -1.29 -1.083 -1.03293856402665 -1.9894677511121 -1.9243 -0.8106 3085660 TimTec1_005698 Cn1c2ccccc2c3nnc(SCc4ccc(F)cc4Cl)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C23 mock treatment -0.069 0.0604 0.09 -0.802 -0.731 -1.44 -0.315 -0.264938564026647 -0.510278875737053 -1.0779 -0.7033 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 C24 mock treatment -0.104 0.0254 0.04 0.0 0.0714 0.14 0.221 0.271061435973353 0.522071693535118 0.4037 0.7449 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D01 compound treatment -0.067 0.0624 0.09 0.113 0.184 0.36 -0.052 -0.001938564026647 -0.00373372700835743 0.2593 0.6918 3211624 TimTec1_005699 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3ccc(OC(F)(F)F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D02 compound treatment -0.652 -0.523 -0.74 -0.247 -0.176 -0.35 -0.093 -0.042938564026647 -0.0827008414489526 -0.6769 -0.8214 3085662 TimTec1_005700 C(Sc1ncn[nH]1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D03 compound treatment 0.784 0.913 1.3 1.314 1.39 2.38 1.196 1.24606143597335 2.19427040141156 3.3902 0.9722 3211625 TimTec1_005701 Cc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)c(C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D04 compound treatment -0.518 -0.389 -0.55 -0.479 -0.408 -0.8 -0.056 -0.005938564026647 -0.0114378357342692 -0.7902 -0.8095 3085663 TimTec1_005702 FC(F)(F)C(NCCc1c[nH]c2ccccc12)(NC(=O)c3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D05 compound treatment -1.036 -0.907 -1.29 -1.431 -1.36 -2.68 -0.873 -0.822938564026647 -1.58500204300174 -3.2092 -0.9513 3211626 TimTec1_005703 CCC1(C)OC(=Nc2ccccc21)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D06 compound treatment 0.032 0.161 0.23 0.146 0.217 0.43 -0.029 0.021061435973353 0.040564898165635 0.4038 0.8266 1384761 TimTec1_005704 Oc1ccc(NC2=C(C(=O)c3ccccc3C2=O)n4nnc5ccccc45)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D07 compound treatment -0.036 0.0934 0.13 0.275 0.346 0.68 0.09 0.140061435973353 0.269762132761509 0.6274 0.8396 1725838 TimTec1_005705 CSc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ccc5ccccc5c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D08 compound treatment -0.282 -0.153 -0.22 0.074 0.145 0.29 0.167 0.217061435973353 0.41806622573531 0.2819 0.511 1630880 TimTec1_005706 Cn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D09 compound treatment -0.111 0.0184 0.03 -0.745 -0.674 -1.33 0.288 0.338061435973353 0.651115514694139 -0.3768 -0.2544 1339859 TimTec1_005707 COc1cc2ccccc2cc1C(=O)NCCC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D10 compound treatment -0.92 -0.791 -1.12 -0.602 -0.531 -1.05 -0.446 -0.395938564026647 -0.762588436510663 -1.6941 -0.9876 1488964 TimTec1_005708 CC(C)(C)c1ccc(cc1)C23OC(=O)C(C)(C)C3OC(=O)C2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D11 compound treatment 0.224 0.353 0.5 1.238 1.31 2.32 1.262 1.31206143597335 2.24597351482593 2.9271 0.8954 1458934 TimTec1_005709 C1CN(CCN1)C2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D12 compound treatment 0.136 0.265 0.38 -0.26 -0.189 -0.37 -0.348 -0.297938564026647 -0.573837772725825 -0.3284 -0.4204 3211627 TimTec1_005710 O=C/1NC(=S)N\C1=C\c2cc3ccccc3nc2N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D13 compound treatment 0.304 0.433 0.62 -0.195 -0.124 -0.24 -0.047 0.003061435973353 0.00589640889903222 0.2183 0.3294 1617853 TimTec1_005711 Cc1cccc(C)c1NC(=O)C2(CCCC2)N(Cc3ccccc3)C(=O)c4ccc(cc4)n5cnnn5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D14 compound treatment -0.13 -5.91E-4 0.0 -0.243 -0.172 -0.34 -0.055 -0.004938564026647 -0.00951180855279123 -0.2016 -0.5948 1422235 TimTec1_005712 Brc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D15 compound treatment 0.054 0.183 0.26 -0.068 0.00344 0.01 0.101 0.151061435973353 0.290948431757766 0.3225 0.8252 3211628 TimTec1_005713 CCN(CC)c1ccc(cc1)C2(NN(C(=C2C#N)N)c3ccccc3)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D16 compound treatment 1.181 1.31 1.71 2.247 2.32 2.88 0.087 0.137061435973353 0.263984051217075 2.807 0.8342 3085673 TimTec1_005714 C/C(=N\c1ccccc1)/C2=C(O)C=C(CC2c3ccco3)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D17 compound treatment -0.891 -0.762 -1.08 -0.337 -0.266 -0.52 -0.574 -0.523938564026647 -1.00911991573984 -1.5105 -0.9619 3211629 TimTec1_005715 Fc1ccc(CCN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)/C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D18 compound treatment -0.492 -0.363 -0.52 0.393 0.464 0.92 -0.066 -0.015938564026647 -0.0306981075490485 0.2141 0.2034 1524909 TimTec1_005716 COc1ccccc1c2nnc(o2)c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D19 compound treatment 0.1 0.229 0.33 0.05 0.121 0.24 -0.051 -9.38564026647E-4 -0.0018076998268795 0.3257 0.8046 3211630 TimTec1_005717 COc1cccc(c1)c2cc(nc(SC3CC(=O)C4OCC3O4)n2)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D20 compound treatment -0.95 -0.821 -1.17 -0.338 -0.267 -0.53 0.011 0.061061435973353 0.117605985424752 -0.9096 -0.7077 3085676 TimTec1_005718 FC(F)(F)c1cccc(c1)N2C(=O)CC(Cc3ccccc3)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D21 compound treatment 0.105 0.234 0.33 0.256 0.327 0.65 -0.03 0.020061435973353 0.0386388709841571 0.588 0.8072 3211631 TimTec1_005719 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)S(=O)(=O)N)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D22 compound treatment -0.878 -0.749 -1.06 -0.774 -0.703 -1.39 -0.514 -0.463938564026647 -0.893558284851162 -1.9313 -0.9836 3085679 TimTec1_005720 Cc1cccc2nc(=S)n(C(=O)c3ccc(F)cc3)n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D23 mock treatment -0.627 -0.498 -0.71 -1.747 -1.68 -3.31 -1.37 -1.31993856402665 -2.54223755219627 -3.7863 -0.8947 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 D24 mock treatment -0.373 -0.244 -0.35 0.042 0.113 0.22 0.194 0.244061435973353 0.470068959635214 0.2008 0.321 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E01 compound treatment -0.603 -0.474 -0.67 -0.037 0.0344 0.07 -0.212 -0.161938564026647 -0.311898076044827 -0.5296 -0.7107 3211632 TimTec1_005721 Cc1cc(F)c(F)c(C(=O)n2ccnc2)c1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E02 compound treatment -0.134 -0.00459 -0.01 -0.414 -0.343 -0.68 -0.291 -0.240938564026647 -0.464054223381583 -0.6622 -0.8073 1584802 TimTec1_005722 O=C(CSc1ccccc1)Nc2c(oc3ccccc23)C(=O)C4CC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E03 compound treatment 1.051 1.18 1.64 0.209 0.28 0.55 0.231 0.281061435973353 0.541331965349897 1.5781 0.8709 3211633 TimTec1_005723 COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E04 compound treatment 0.171 0.3 0.43 0.299 0.37 0.73 0.05 0.100061435973353 0.192721045502392 0.7802 0.8981 3211634 TimTec1_005724 CC(C)COC(=O)C1=C(C)Nc2cc(ccc2S1)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E05 compound treatment -0.366 -0.237 -0.34 0.552 0.623 1.23 0.115 0.165061435973353 0.317912812298457 0.7 0.5323 3085682 TimTec1_005725 Fc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E06 compound treatment 0.833 0.962 1.37 0.696 0.767 1.52 0.261 0.311061435973353 0.599112780794235 2.0108 0.945 3211635 TimTec1_005726 CN(C)c1ccc(/C=C\2/Oc3c(ccc(O)c3O)C2=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E07 compound treatment 0.656 0.785 1.12 0.953 1.02 2.02 0.521 0.571061435973353 1.0998798479785 2.4476 0.9565 3211636 TimTec1_005727 CCn/1c(cs\c1=N\c2cc(OC)c(Cl)cc2OC)c3ccc(F)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E08 compound treatment -0.69 -0.561 -0.8 -0.694 -0.623 -1.23 -0.872 -0.821938564026647 -1.58307601582026 -2.0839 -0.9661 1668810 TimTec1_005728 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(Cc4ccccc4)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E09 compound treatment 0.202 0.331 0.47 -0.37 -0.299 -0.59 -0.707 -0.656938564026647 -1.2652815308764 -0.7988 -0.5422 1468867 TimTec1_005729 NS(=O)(=O)c1ccc(N=NN2CCCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E10 compound treatment -1.043 -0.914 -1.3 -0.536 -0.465 -0.92 -0.797 -0.746938564026647 -1.43862397720942 -2.1101 -0.984 1221615 TimTec1_005730 CCc1ccc2cc(cn2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E11 compound treatment 0.1 0.229 0.33 -0.338 -0.267 -0.53 -0.208 -0.157938564026647 -0.304193967318915 -0.2912 -0.4221 3211637 TimTec1_005731 CC1SC(N(C1=O)c2ccccc2)c3ccc(Br)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E12 compound treatment 0.139 0.268 0.38 -0.69 -0.619 -1.22 -1.139 -1.08893856402665 -2.09732527327487 -1.6957 -0.6902 1203111 TimTec1_005732 Cc1cc(C(=O)O)c(C#N)c(N)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E13 compound treatment -0.538 -0.409 -0.58 -0.255 -0.184 -0.36 0.411 0.461061435973353 0.888016858015925 -0.032 -0.0285 3211638 TimTec1_005733 NC(=NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E14 compound treatment 0.684 0.813 1.16 0.303 0.374 0.74 0.929 0.979061435973353 1.88569893802149 2.1833 0.9361 3085709 TimTec1_005734 Cc1nc2ccccc2c(=O)n1c3ccc4OC(F)(F)Oc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E15 compound treatment -0.298 -0.169 -0.24 -0.292 -0.221 -0.44 -0.111 -0.060938564026647 -0.117369330715555 -0.4576 -0.8959 3085711 TimTec1_005735 C/C(=C/C(=O)C1CC1)/C2CC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E16 compound treatment -0.173 -0.0436 -0.06 -0.333 -0.262 -0.52 -0.158 -0.107938564026647 -0.207892608245018 -0.454 -0.8104 1198283 TimTec1_005736 CC(C(=O)Nc1ccc2OCCOc2c1)n3nnc(n3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E17 compound treatment -0.457 -0.328 -0.47 -0.552 -0.481 -0.95 -0.644 -0.593938564026647 -1.14394181844329 -1.4772 -0.9484 1200453 TimTec1_005737 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E18 compound treatment -0.444 -0.315 -0.45 0.197 0.268 0.53 0.127 0.177061435973353 0.341025138476192 0.2447 0.3166 1488913 TimTec1_005738 CCCc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E19 compound treatment -0.295 -0.166 -0.24 -0.067 0.00444 0.01 0.371 0.421061435973353 0.810975770756808 0.3373 0.3995 1378082 TimTec1_005739 CCOC(=O)C1(CCN(CC1)C(=O)c2ccccc2O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E20 compound treatment -0.167 -0.0376 -0.05 -0.592 -0.521 -1.03 0.237 0.287061435973353 0.552888128438765 -0.3051 -0.2611 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E21 compound treatment 0.156 0.285 0.41 0.018 0.0894 0.18 0.065 0.115061435973353 0.221611453224561 0.4642 0.9379 1315806 TimTec1_005741 CC(=O)Oc1ccc(C)cc1n2nc3ccccc3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E22 compound treatment -0.466 -0.337 -0.48 -0.568 -0.497 -0.98 -0.987 -0.936938564026647 -1.80456914169022 -1.8842 -0.8935 3085715 TimTec1_005742 COc1ccccc1N/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E23 mock treatment -0.443 -0.314 -0.45 -0.262 -0.191 -0.38 0.409 0.459061435973353 0.884164803652969 0.0358 0.0338 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 E24 mock treatment 0.028 0.157 0.22 0.169 0.24 0.47 0.014 0.064061435973353 0.123384066969186 0.4745 0.8801 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F01 compound treatment -0.2 -0.0706 -0.1 -0.053 0.0184 0.04 0.098 0.148061435973353 0.285170350213332 0.1277 0.4194 1415787 TimTec1_005743 O=C(Cn1nnc(n1)c2ccc3OCOc3c2)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F02 compound treatment -1.04 -0.911 -1.29 -0.419 -0.348 -0.69 -0.56 -0.509938564026647 -0.982155535199147 -1.7107 -0.9698 1291024 TimTec1_005744 Cc1[nH]c2ccccc2c1CCNC(=O)c3cc4cc(Br)ccc4oc3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F03 compound treatment 0.542 0.671 0.95 -0.887 -0.816 -1.61 -0.687 -0.636938564026647 -1.22676098724684 -1.0869 -0.4856 3085718 TimTec1_005745 FC(F)(F)c1nnc(S)n1/N=C/c2ccc(Cl)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F04 compound treatment -0.071 0.0584 0.08 -0.02 0.0514 0.1 -0.127 -0.076938564026647 -0.148185765619202 0.021 0.1063 1647381 TimTec1_005746 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NCc3ccco3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F05 compound treatment -0.9 -0.771 -1.1 -0.473 -0.402 -0.79 -0.236 -0.185938564026647 -0.358122728400297 -1.2971 -0.9271 1416263 TimTec1_005747 Cc1c(NC(=O)C2CCCC2)c(=O)n(c3ccccc3)n1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F06 compound treatment -0.944 -0.815 -1.16 -0.505 -0.434 -0.86 -0.459 -0.408938564026647 -0.787626789869876 -1.6177 -0.9855 3211747 TimTec1_005748 Cc1cc(S)c2n(Cc3ccc(Cl)cc3Cl)nc[n+]2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F07 compound treatment -0.5 -0.371 -0.53 -0.373 -0.302 -0.6 -0.662 -0.611938564026647 -1.1786103077099 -1.3285 -0.9344 1581088 TimTec1_005749 Fc1cccc(Cl)c1C2N3CCCCN23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F08 compound treatment -0.357 -0.228 -0.32 0.299 0.37 0.73 -0.047 0.003061435973353 0.00589640889903222 0.2389 0.2987 1406168 TimTec1_005750 COC(=O)c1ccc(CSc2nnc3c4ccccc4n(C)c3n2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F09 compound treatment -0.169 -0.0396 -0.06 -0.444 -0.373 -0.74 -0.324 -0.273938564026647 -0.527613120370355 -0.7618 -0.8399 3211748 TimTec1_005751 Cc1cc(C)c(c(C)c1)n2nnnc2SCC(=O)Nc3nn(nc3C(=O)N)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F10 compound treatment -0.052 0.0774 0.11 -0.314 -0.243 -0.48 -0.135 -0.084938564026647 -0.163593983071026 -0.3074 -0.5936 3087784 TimTec1_005752 CC1(NC(C2C1C(=O)N(C2=O)c3ccccc3)c4cc(Br)ccc4O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F11 compound treatment 0.614 0.743 1.06 -0.696 -0.625 -1.23 -0.756 -0.705938564026647 -1.35965686276882 -0.8868 -0.4186 3211749 TimTec1_005753 N#CCC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F12 compound treatment -0.063 0.0664 0.09 -0.305 -0.234 -0.46 -0.145 -0.094938564026647 -0.182854254885805 -0.3173 -0.6283 1605647 TimTec1_005754 COc1ccc(cc1OC)C2C(Oc3ccc(Cl)cc3C)C(=O)N2c4ccc(C)c(C)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F13 compound treatment -0.455 -0.326 -0.46 -0.228 -0.157 -0.31 -0.286 -0.235938564026647 -0.454424087474193 -0.7081 -0.9854 3087785 TimTec1_005755 C[S+](C)c1c(O)n(c2ccccc2F)c(=O)[nH]c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F14 compound treatment 0.194 0.323 0.46 -0.323 -0.252 -0.5 -0.278 -0.227938564026647 -0.43901587002237 -0.2748 -0.3406 1201797 TimTec1_005756 Fc1cc(Cl)c(cc1F)C(=O)NC2C3CC4CC(C3)CC2C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F15 compound treatment -0.364 -0.235 -0.33 -0.45 -0.379 -0.75 -0.194 -0.143938564026647 -0.277229586778224 -0.7842 -0.9074 1326307 TimTec1_005757 CC(Sc1nc(N)cc(N)n1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F16 compound treatment -0.369 -0.24 -0.34 0.277 0.348 0.69 -0.069 -0.018938564026647 -0.0364761890934823 0.1795 0.2335 1664927 TimTec1_005758 C=CCn1c2ccccc2c3nnc(SCc4ccc5nonc5c4)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F17 compound treatment -0.6 -0.471 -0.67 -0.464 -0.393 -0.78 -0.441 -0.390938564026647 -0.752958300603273 -1.2685 -0.9981 3087786 TimTec1_005759 CC(Nc1nc(F)cc(=O)[nH]1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F18 compound treatment 0.623 0.752 1.07 0.278 0.349 0.69 0.204 0.254061435973353 0.489329231449993 1.2985 0.9521 3211750 TimTec1_005760 CCOC(=O)/C=C/1\NC(C)(C)Cc2cc(OC)c(O)cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F19 compound treatment -0.011 0.118 0.17 0.964 1.04 2.04 0.438 0.488061435973353 0.940019591915829 1.8203 0.8067 3211751 TimTec1_005761 O=C(CSc1nnnn1c2ccccc2)NCCC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F20 compound treatment 0.051 0.18 0.26 -0.279 -0.208 -0.41 -0.148 -0.097938564026647 -0.188632336430239 -0.1974 -0.3804 3087787 TimTec1_005762 CC1SC2(CCCCC2)N(C1=O)c3cc(C)cc(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F21 compound treatment 0.13 0.259 0.37 -0.238 -0.167 -0.33 -0.39 -0.339938564026647 -0.654730914347898 -0.3549 -0.4327 3211752 TimTec1_005763 CC(=O)NC(NCCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F22 compound treatment 0.029 0.158 0.23 0.029 0.1 0.2 -0.411 -0.360938564026647 -0.695177485158935 -0.1568 -0.2071 1523330 TimTec1_005764 O=C(Oc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccs3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F23 mock treatment 0.258 0.387 0.55 -0.209 -0.138 -0.27 -0.6 -0.549938564026647 -1.05919662245826 -0.4503 -0.3678 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 F24 mock treatment -0.134 -0.00459 -0.01 0.082 0.153 0.3 -0.09 -0.039938564026647 -0.0769227599045188 0.1267 0.4054 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G01 compound treatment -0.349 -0.22 -0.31 -0.143 -0.0716 -0.14 0.108 0.158061435973353 0.304430622028112 -0.0861 -0.1878 3087788 TimTec1_005765 Fc1ccccc1c2nnc3ccc(cn23)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G02 compound treatment -0.172 -0.0426 -0.06 -0.243 -0.172 -0.34 -0.068 -0.017938564026647 -0.0345501619120044 -0.2505 -0.7243 3211753 TimTec1_005766 CN1C(=O)N(C)C2(N=C3SCC(=O)N3NC12c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G03 compound treatment -0.234 -0.105 -0.15 -0.656 -0.585 -1.15 -0.433 -0.382938564026647 -0.737550083151449 -1.1781 -0.855 1444799 TimTec1_005767 OC1=C(C(N(C1=O)c2cccnc2)c3ccccc3)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G04 compound treatment -0.203 -0.0736 -0.1 -0.031 0.0404 0.08 -0.018 0.032061435973353 0.0617511971618922 0.0213 0.1468 1457617 TimTec1_005768 O=C(N1N=CCC1c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G05 compound treatment -0.241 -0.112 -0.16 -0.147 -0.0756 -0.15 0.35 0.400061435973353 0.770529199945771 0.2671 0.3336 1406350 TimTec1_005769 Clc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)N4CCc5ccccc45)sc3c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G06 compound treatment -0.105 0.0244 0.03 -1.085 -1.01 -2.0 -0.734 -0.683938564026647 -1.31728426477631 -1.8959 -0.7912 1302719 TimTec1_005770 COC(=O)c1ccccc1NCNc2ccccc2C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G07 compound treatment -0.721 -0.592 -0.84 -0.662 -0.591 -1.17 -0.473 -0.422938564026647 -0.814591170410567 -1.6292 -0.9859 1261268 TimTec1_005771 CCCC(=C1C(=O)NC(=O)NC1=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G08 compound treatment -0.44 -0.311 -0.44 -0.016 0.0554 0.11 -0.028 0.022061435973353 0.0424909253471129 -0.1672 -0.366 1028239 TimTec1_005772 S=c1sscc1c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G09 compound treatment -0.284 -0.155 -0.22 -0.237 -0.166 -0.33 0.033 0.083061435973353 0.159978583417267 -0.2233 -0.5251 3211754 TimTec1_005773 CCOC(=O)Cc1nc(C)cs1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G10 compound treatment -0.175 -0.0456 -0.06 -0.904 -0.833 -1.64 -0.773 -0.722938564026647 -1.39239932485395 -1.7904 -0.8307 1366551 TimTec1_005774 CCC1C(OC(=O)C(C)(C)C1=O)c2cccc(Br)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G11 compound treatment 0.16 0.289 0.41 -0.67 -0.599 -1.18 -1.479 -1.42893856402665 -2.75217451497737 -2.0338 -0.6727 3087789 TimTec1_005775 CC(=O)OC(C)(C)C#CCN1CCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G12 compound treatment 0.062 0.191 0.27 -0.349 -0.278 -0.55 -0.627 -0.576938564026647 -1.11119935635817 -0.8008 -0.6313 3211755 TimTec1_005776 O=C/1Nc2ccccc2\C1=C/3\NC(=S)N(C3=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G13 compound treatment -0.204 -0.0746 -0.11 -0.062 0.00944 0.02 -0.016 0.034061435973353 0.0656032515248481 -0.0126 -0.0999 3087790 TimTec1_005777 CCOC1=NOC2C3CCC(C3)C21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G14 compound treatment 0.071 0.2 0.28 -0.216 -0.145 -0.29 -0.205 -0.154938564026647 -0.298415885774481 -0.1726 -0.344 3211756 TimTec1_005778 COc1ccc(cc1)C2OCC(C)(CO2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G15 compound treatment -0.422 -0.293 -0.42 -0.303 -0.232 -0.46 -0.141 -0.090938564026647 -0.175150146159893 -0.6053 -0.9421 3087791 TimTec1_005779 Nc1ccc(OC(F)(F)F)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G16 compound treatment -0.369 -0.24 -0.34 -0.484 -0.413 -0.81 -0.579 -0.528938564026647 -1.01875005164723 -1.2552 -0.931 1233416 TimTec1_005780 C(Sc1nnnn1c2ccc3OCOc3c2)C4CC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G17 compound treatment -0.667 -0.538 -0.76 -0.281 -0.21 -0.41 -0.59 -0.539938564026647 -1.03993635064348 -1.2806 -0.9449 1922264 TimTec1_005781 CC1(C)COC(O)(CC1=O)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G18 compound treatment -0.099 0.0304 0.04 -1.382 -1.31 -2.59 -0.806 -0.755938564026647 -1.45595822184272 -2.3097 -0.7778 1589793 TimTec1_005782 CCc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(cc4)N(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G19 compound treatment 0.03 0.159 0.23 -0.304 -0.233 -0.46 -0.603 -0.552938564026647 -1.0649747040027 -0.7491 -0.6339 3087792 TimTec1_005783 CSC1=NC2C(N1)N(C)C(=O)N2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G20 compound treatment -0.08 0.0494 0.07 -1.279 -1.21 -2.38 -0.563 -0.512938564026647 -0.98793361674358 -1.9064 -0.7384 1362774 TimTec1_005784 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(O2)c4cccnc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G21 compound treatment -0.031 0.0984 0.14 -0.829 -0.758 -1.5 -0.385 -0.334938564026647 -0.645100778440509 -1.1553 -0.7066 3087793 TimTec1_005785 O=C(Oc1ccc(cc1)c2cnc3ccccc3n2)/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G22 compound treatment -0.054 0.0754 0.11 -0.292 -0.221 -0.44 0.145 0.195061435973353 0.375693627742795 0.0274 0.0468 1511555 TimTec1_005786 Clc1ccc2oc(=O)n(C(=O)NC3CCCCC3)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G23 mock treatment 0.029 0.158 0.23 0.293 0.364 0.72 0.051 0.101061435973353 0.19464707268387 0.6579 0.8448 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 G24 mock treatment -0.138 -0.00859 -0.01 -0.056 0.0154 0.03 -0.047 0.003061435973353 0.00589640889903222 0.014 0.4182 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H01 compound treatment 0.186 0.315 0.45 -0.39 -0.319 -0.63 -0.081 -0.030938564026647 -0.0595885152712175 -0.1387 -0.179 1788039 TimTec1_005787 Fc1ccccc1c2nnn(CC(=O)N3CCCCC3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H02 compound treatment 0.565 0.694 0.99 0.368 0.439 0.87 0.296 0.346061435973353 0.666523732145963 1.4558 0.9878 1578958 TimTec1_005788 COc1ccc(Cl)cc1S(=O)(=O)N2CCN(CC2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H03 compound treatment -0.107 0.0224 0.03 -0.277 -0.206 -0.41 0.029 0.079061435973353 0.152274474691355 -0.128 -0.2945 3087794 TimTec1_005789 COc1cc2CC(C)(C)N=C(NC(C)C(=O)O)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H04 compound treatment -0.729 -0.6 -0.85 -1.229 -1.16 -2.29 -0.508 -0.457938564026647 -0.882002121762294 -2.321 -0.8948 3087795 TimTec1_005790 NCCN1C(=O)S/C(=C/c2cccs2)/C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H05 compound treatment -0.604 -0.475 -0.67 -0.162 -0.0906 -0.18 -0.409 -0.358938564026647 -0.691325430795979 -0.892 -0.9079 1701075 TimTec1_005791 CCn1c(=N)n(CC(=O)c2cccs2)c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H06 compound treatment -0.567 -0.438 -0.62 0.974 1.05 2.06 -0.016 0.034061435973353 0.0656032515248481 0.8705 0.4036 1332043 TimTec1_005792 COC(=O)NC1CSCC1OC(=O)CCCN2C(=O)c3ccccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H07 compound treatment 0.214 0.343 0.49 0.38 0.451 0.89 -0.096 -0.045938564026647 -0.0884789229933864 0.7454 0.7307 3087798 TimTec1_005793 COc1nsc(SC)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H08 compound treatment -2.0 -1.87 -2.66 -1.854 -1.78 -3.52 -1.57 -1.51993856402665 -2.92744298849186 -5.2578 -0.9931 1015156 TimTec1_005794 COc1ccc(Cl)cc1NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H09 compound treatment -0.017 0.112 0.16 0.112 0.183 0.36 0.09 0.140061435973353 0.269762132761509 0.4571 0.9542 1397048 TimTec1_005795 COc1cc2ccccc2cc1C(=O)NC(C)Cc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H10 compound treatment -0.561 -0.432 -0.61 -0.422 -0.351 -0.69 -0.203 -0.152938564026647 -0.294563831411525 -0.924 -0.9518 3087801 TimTec1_005796 CC1(C)CC(=O)C2=C(C1)N(C(=C(C#N)C2c3ccsc3)N)c4c(F)cccc4F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H11 compound treatment -0.038 0.0914 0.13 -0.541 -0.47 -0.93 -0.559 -0.508938564026647 -0.980229508017669 -1.0262 -0.7571 1338227 TimTec1_005797 COc1ccc(NC(=O)c2cnn(c2NC(=O)c3ccccc3F)c4ccccc4)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H12 compound treatment -0.018 0.111 0.16 -0.667 -0.596 -1.18 -0.156 -0.105938564026647 -0.204040553882062 -0.7053 -0.5858 1493728 TimTec1_005798 C1Oc2ccc(cc2O1)c3cc4ccccn4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H13 compound treatment 0.3 0.429 0.61 0.586 0.657 1.3 0.1 0.150061435973353 0.289022404576288 1.2688 0.8671 1440128 TimTec1_005799 COc1cc(NC(=O)NC2(CC2)c3ccccc3)c(OC)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H14 compound treatment -0.395 -0.266 -0.38 -0.234 -0.163 -0.32 0.148 0.198061435973353 0.381471709287229 -0.1831 -0.2928 1272978 TimTec1_005800 Cc1cc(NS(=O)(=O)c2ccccc2)cc(c1O)S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H15 compound treatment -0.726 -0.597 -0.85 -1.295 -1.22 -2.42 -1.353 -1.30293856402665 -2.50949509011115 -3.3334 -0.9298 3211757 TimTec1_005801 Cc1cc(Cl)nc(NN)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H16 compound treatment -0.217 -0.0876 -0.12 -0.149 -0.0776 -0.15 0.0 0.050061435973353 0.096419686428495 -0.1047 -0.4764 1520603 TimTec1_005802 Cn1c2ccc(Br)cc2c3nnc(SCc4ccc5nonc5c4)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H17 compound treatment -0.056 0.0734 0.1 -0.206 -0.135 -0.27 -0.083 -0.032938564026647 -0.0634405696341733 -0.1298 -0.4438 1486800 TimTec1_005803 CN(C)CP(=O)(O)CCn1c2ccccc2c3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H18 compound treatment -0.323 -0.194 -0.28 -0.868 -0.797 -1.57 -0.181 -0.130938564026647 -0.252191233419011 -1.2126 -0.7501 1194716 TimTec1_005804 OC(=O)C1Sc2c(sc(=O)n2Cc3ccccc3)C4C1C(=O)Oc5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H19 compound treatment -0.549 -0.42 -0.6 -0.646 -0.575 -1.13 0.281 0.331061435973353 0.637633324423794 -0.6313 -0.441 1203354 TimTec1_005805 Nc1nnc(CCCn2c(=O)oc3ccccc23)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H20 compound treatment -0.905 -0.776 -1.1 -0.614 -0.543 -1.07 -0.878 -0.827938564026647 -1.59463217890913 -2.1758 -0.9823 3087859 TimTec1_005806 CC/N=C\1/S/C(=C/c2ccc(o2)c3ccc(F)cc3)/C(=O)N1CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H21 compound treatment 0.055 0.184 0.26 -1.162 -1.09 -2.15 -0.986 -0.935938564026647 -1.80264311450875 -2.1326 -0.7561 1544104 TimTec1_005807 CN(C)c1ccc(cc1)C2OC(=O)C(C)(C)C(=O)C2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H22 compound treatment -0.71 -0.581 -0.83 -0.021 0.0504 0.1 -0.044 0.006061435973353 0.011674490443466 -0.4123 -0.4959 3211853 TimTec1_005808 CCCn1c2ccccc2c3nnc(SCC(=O)NCc4ccc5OCOc5c4)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H23 mock treatment -0.203 -0.0736 -0.1 0.075 0.146 0.29 0.106 0.156061435973353 0.300578567665156 0.2801 0.6513 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 H24 mock treatment -0.23 -0.101 -0.14 0.063 0.134 0.27 0.288 0.338061435973353 0.651115514694139 0.4466 0.6224 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I01 compound treatment -0.088 0.0414 0.06 0.276 0.347 0.69 0.092 0.142061435973353 0.273614187124465 0.588 0.7937 1315061 TimTec1_005809 CCOC1(C)N(Nc2ccccc2C(=O)CC)c3ccccc3C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I02 compound treatment -0.944 -0.815 -1.16 -0.859 -0.788 -1.56 -0.822 -0.771938564026647 -1.48677465674636 -2.4249 -0.9924 1011005 TimTec1_005810 OC(=O)CSc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I03 compound treatment 0.167 0.296 0.42 -0.093 -0.0216 -0.04 -0.209 -0.158938564026647 -0.306119994500393 0.042 0.0804 3211854 TimTec1_005811 CC1(C)OC(=O)N(Nc2ccccc2)C1(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I04 compound treatment -1.172 -1.04 -1.48 -1.434 -1.36 -2.69 -1.616 -1.56593856402665 -3.01604023883984 -4.1504 -0.9641 3087863 TimTec1_005812 Cc1c(Cl)cccc1NN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I05 compound treatment -0.016 0.113 0.16 -0.109 -0.0376 -0.07 0.403 0.453061435973353 0.872608640564102 0.5541 0.6222 1462704 TimTec1_005813 CC(C)(C)NC(=O)CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I06 compound treatment -0.279 -0.15 -0.21 -0.258 -0.187 -0.37 0.094 0.144061435973353 0.277466241487421 -0.1753 -0.3451 1663326 TimTec1_005814 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc3ccccc3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I07 compound treatment -0.222 -0.0926 -0.13 0.133 0.204 0.4 -0.133 -0.082938564026647 -0.15974192870807 0.0648 0.1429 3211855 TimTec1_005815 C1C/C(=C\c2nc3ccccc3[nH]2)/C(=C1)N4CCOCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I08 compound treatment 0.027 0.156 0.22 -0.46 -0.389 -0.77 -0.455 -0.404938564026647 -0.779922681143964 -0.7649 -0.6851 1375813 TimTec1_005816 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)C(=O)C(=C2C(=O)c4ccc(Cl)cc4)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I09 compound treatment 0.164 0.293 0.42 0.0 0.0714 0.14 -0.333 -0.282938564026647 -0.544947365003656 0.0077 0.0109 3087867 TimTec1_005817 COC(=O)c1c(CSC(=N)N)nc2n(Cc3ccccc3)c4ccccc4n12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I10 compound treatment -0.031 0.0984 0.14 -0.574 -0.503 -0.99 -0.64 -0.589938564026647 -1.13623770971738 -1.1481 -0.7578 3211856 TimTec1_005818 CC1=C(OC(=O)c2ccccc2)C(C)(C)C(OC1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I11 compound treatment 0.399 0.528 0.75 -0.431 -0.36 -0.71 -1.737 -1.68693856402665 -3.24908952779867 -1.852 -0.5432 3087868 TimTec1_005819 COC(=O)c1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I12 compound treatment 0.211 0.34 0.48 -0.483 -0.412 -0.81 -0.597 -0.546938564026647 -1.05341854091383 -0.7979 -0.5636 3211857 TimTec1_005820 COc1ccc(/C=N/c2nnc(c3ccccc3)c(n2)c4ccccc4)c(C(=O)O)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I13 compound treatment 0.2 0.329 0.47 0.429 0.5 0.99 0.277 0.327061435973353 0.629929215697882 1.2046 0.9545 3087871 TimTec1_005821 CC1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)/c5ccccc25)CC(C)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I14 compound treatment -0.404 -0.275 -0.39 -0.232 -0.161 -0.32 -0.311 -0.260938564026647 -0.502574767011142 -0.6986 -0.9826 1190190 TimTec1_005822 CC(=O)OC1c2ccccc2NC(c3ccccc3)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I15 compound treatment 1.342 1.47 1.8 1.547 1.62 2.54 0.92 0.970061435973353 1.86836469338819 3.5813 0.9873 1442650 TimTec1_005823 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I16 compound treatment -0.681 -0.552 -0.78 -0.424 -0.353 -0.7 -0.48 -0.429938564026647 -0.828073360680912 -1.3328 -0.9975 3087873 TimTec1_005824 SC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I17 compound treatment -0.066 0.0634 0.09 0.596 0.667 1.32 0.284 0.334061435973353 0.643411405968228 1.1844 0.8061 1201213 TimTec1_005825 OC(=O)c1ccc(N=NN2CCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I18 compound treatment -0.649 -0.52 -0.74 -0.422 -0.351 -0.69 0.449 0.499061435973353 0.961205890912086 -0.2712 -0.1943 3211858 TimTec1_005826 CSc1ccc(cc1)S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I19 compound treatment 0.081 0.21 0.3 1.044 1.12 2.16 0.526 0.576061435973353 1.10950998388589 2.0586 0.8423 1656330 TimTec1_005827 CC(C)(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)NS(=O)(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I20 compound treatment -0.583 -0.454 -0.64 -0.72 -0.649 -1.28 -1.122 -1.07193856402665 -2.06458281118974 -2.3037 -0.9165 1594685 TimTec1_005828 CC1C(C#N)(C#N)C2(C#N)C(OC1(C)OC2=N)c3ccncc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I21 compound treatment -0.013 0.116 0.17 0.161 0.232 0.46 -0.012 0.038061435973353 0.0733073602507598 0.4029 0.8166 3211859 TimTec1_005829 O=C/1N(CN2CCN(CC2)c3ccccc3)c4ccccc4\C1=N\c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I22 compound treatment -0.033 0.0964 0.14 -0.807 -0.736 -1.45 -0.964 -0.913938564026647 -1.76027051651623 -1.7757 -0.7767 1426903 TimTec1_005830 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc(O)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I23 mock treatment -0.794 -0.665 -0.94 0.254 0.325 0.64 0.125 0.175061435973353 0.337173084113236 0.0201 0.0169 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 I24 mock treatment -0.203 -0.0736 -0.1 0.098 0.169 0.33 -0.147 -0.096938564026647 -0.186706309248761 0.025 0.0628 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J01 compound treatment -0.685 -0.556 -0.79 -0.316 -0.245 -0.48 -0.161 -0.110938564026647 -0.213670689789452 -0.8582 -0.9032 1380440 TimTec1_005831 CC(C)(CO)NC1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J02 compound treatment -0.353 -0.224 -0.32 -0.571 -0.5 -0.99 -0.366 -0.315938564026647 -0.608506261992428 -1.1044 -0.9189 1328534 TimTec1_005832 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J03 compound treatment -0.45 -0.321 -0.46 -0.159 -0.0876 -0.17 -0.266 -0.215938564026647 -0.415903543844635 -0.6031 -0.9412 3211860 TimTec1_005833 FC(F)(F)C1=CC(=NCCN1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J04 compound treatment -1.354 -1.22 -1.74 -0.603 -0.532 -1.05 -0.94 -0.889938564026647 -1.71404586416076 -2.6008 -0.9781 1159735 TimTec1_005834 CN(C)P1(=O)Nc2ccccc2S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J05 compound treatment -0.22 -0.0906 -0.13 -0.474 -0.403 -0.79 -0.471 -0.420938564026647 -0.810739116047611 -1.0014 -0.8763 1421447 TimTec1_005835 CC(C)(O)C1(C)NCCc2ccccc21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J06 compound treatment -0.211 -0.0816 -0.12 0.253 0.324 0.64 0.149 0.199061435973353 0.383397736468707 0.5242 0.6939 1178221 TimTec1_005836 CC1CC2(CC(C)(C)C1)NN(C(=S)N2)c3ccc(C)c(C)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J07 compound treatment 0.153 0.282 0.4 0.698 0.769 1.52 0.341 0.391061435973353 0.75319495531247 1.5438 0.8859 1709992 TimTec1_005837 CC1(C)CC(CC(C)(C)N1)NCc2ccco2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J08 compound treatment 0.099 0.228 0.32 0.25 0.321 0.63 0.262 0.312061435973353 0.601038807975713 0.9009 0.9662 1603180 TimTec1_005838 O=C(NC1CCCCC1)C2CC(=O)OC32CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J09 compound treatment 0.125 0.254 0.36 -0.383 -0.312 -0.62 -0.107 -0.056938564026647 -0.109665221989644 -0.2097 -0.2904 1526847 TimTec1_005839 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccccc5C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J10 compound treatment 0.01 0.139 0.2 -0.519 -0.448 -0.88 -0.132 -0.081938564026647 -0.157815901526592 -0.4869 -0.5296 3211861 TimTec1_005840 CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J11 compound treatment 0.185 0.314 0.45 -0.232 -0.161 -0.32 -0.5 -0.449938564026647 -0.866593904310471 -0.4253 -0.4148 1564041 TimTec1_005841 CCN(C(=O)Cn1nnc(n1)c2ccc3OCOc3c2)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J12 compound treatment 0.598 0.727 1.03 0.0 0.0714 0.14 0.058 0.108061435973353 0.208129262954215 0.7987 0.7504 3087925 TimTec1_005842 FC(F)(F)c1nnc2SCC(=Nn12)c3ccc(Cl)cc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J13 compound treatment -0.73 -0.601 -0.85 -0.156 -0.0846 -0.17 0.031 0.081061435973353 0.156126529054311 -0.4993 -0.5648 3211862 TimTec1_005843 CCN1C(=O)C2NN=C(C2C1=O)C(=O)c3nc(Cl)ccc3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J14 compound treatment 0.042 0.171 0.24 -0.043 0.0284 0.06 -0.19 -0.139938564026647 -0.269525478052312 0.0175 0.0476 1209557 TimTec1_005844 COc1ccc(cc1)C(=O)Nc2cc(C)c(O)c(c2C)S(=O)(=O)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J15 compound treatment -1.672 -1.54 -2.19 -0.444 -0.373 -0.74 0.091 0.141061435973353 0.271688159942987 -1.5341 -0.6586 3211863 TimTec1_005845 Sc1nc(SCCOc2ccccc2)nc3ccccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J16 compound treatment 0.014 0.143 0.2 -0.286 -0.215 -0.42 0.074 0.124061435973353 0.238945697857862 0.0111 0.021 3087928 TimTec1_005846 CC(C)(C)C(=O)/C=C/1\NCCN\C1=C/C(=O)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J17 compound treatment -0.206 -0.0766 -0.11 -0.5 -0.429 -0.85 -0.231 -0.180938564026647 -0.348492592492907 -0.7526 -0.8166 1272266 TimTec1_005847 OC(=O)C(Cc1ccco1)P(=O)(O)CN2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J18 compound treatment 0.122 0.251 0.36 1.295 1.37 2.36 0.486 0.536061435973353 1.03246889662677 2.1679 0.8322 1688384 TimTec1_005848 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J19 compound treatment -0.258 -0.129 -0.18 -0.544 -0.473 -0.93 -0.583 -0.532938564026647 -1.02645416037314 -1.2369 -0.884 1696945 TimTec1_005849 COc1cccc(c1)C(=O)Nc2cccc(C)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J20 compound treatment -0.31 -0.181 -0.26 -0.55 -0.479 -0.94 -0.73 -0.679938564026647 -1.3095801560504 -1.4499 -0.8867 3087931 TimTec1_005850 Cc1cccn2cc(cc12)c3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J21 compound treatment -0.075 0.0544 0.08 -0.233 -0.162 -0.32 -0.022 0.028061435973353 0.0540470884359805 -0.1083 -0.3256 1142933 TimTec1_005851 Cc1ccc(cc1)C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J22 compound treatment -0.152 -0.0226 -0.03 -0.488 -0.417 -0.82 -0.15 -0.099938564026647 -0.192484390793195 -0.6046 -0.7152 3211864 TimTec1_005852 COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34)c(=O)oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J23 mock treatment 0.045 0.174 0.25 0.157 0.228 0.45 0.243 0.293061435973353 0.564444291527632 0.7295 0.9549 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 J24 mock treatment 0.316 0.445 0.63 0.0 0.0714 0.14 0.068 0.118061435973353 0.227389534768994 0.5783 0.8412 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K01 compound treatment -0.089 0.0404 0.06 0.408 0.479 0.95 -0.092 -0.041938564026647 -0.0807748142674747 0.5331 0.5601 1683560 TimTec1_005853 CCn1c(nc2ccccc12)C(O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K02 compound treatment -0.222 -0.0926 -0.13 -0.247 -0.176 -0.35 0.083 0.133061435973353 0.256279942491163 -0.1282 -0.2844 3088026 TimTec1_005854 O=C1CSC2=NCN(CN12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K03 compound treatment 0.014 0.143 0.2 0.149 0.22 0.44 0.143 0.193061435973353 0.371841573379839 0.5837 0.9605 3087964 TimTec1_005855 CCOC(=O)C1=C(C)NC(=NC1c2ccc(OC(=O)C)c(OC)c2)SC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K04 compound treatment -0.523 -0.394 -0.56 -1.095 -1.02 -2.02 -1.073 -1.02293856402665 -1.97020747929733 -2.6274 -0.9131 3087966 TimTec1_005856 CC(=O)NCCOc1cccc2cccnc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K05 compound treatment -0.644 -0.515 -0.73 0.0 0.0714 0.14 -0.226 -0.175938564026647 -0.338862456585518 -0.5366 -0.6556 1264565 TimTec1_005857 Cn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K06 compound treatment -0.139 -0.00959 -0.01 -0.224 -0.153 -0.3 -0.143 -0.092938564026647 -0.179002200522849 -0.2851 -0.8131 3211865 TimTec1_005858 Clc1ccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K07 compound treatment 0.168 0.297 0.42 -1.247 -1.18 -2.32 -0.058 -0.00793856402664701 -0.015289890097225 -1.1048 -0.4683 1638757 TimTec1_005859 CCN(CC)P1(=O)COc2ccccc2OC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K08 compound treatment 0.067 0.196 0.28 -0.603 -0.532 -1.05 -0.145 -0.094938564026647 -0.182854254885805 -0.5503 -0.4997 3211945 TimTec1_005860 CCC1CCC2(CC1)SCC(=O)N2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K09 compound treatment 0.149 0.278 0.4 -0.506 -0.435 -0.86 -0.269 -0.218938564026647 -0.421681625389069 -0.5103 -0.4932 1385466 TimTec1_005861 COc1ccc(cc1)N(C)C(=O)C2COc3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K10 compound treatment 0.071 0.2 0.28 -0.397 -0.326 -0.64 -0.514 -0.463938564026647 -0.893558284851162 -0.7225 -0.6354 1301245 TimTec1_005862 Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K11 compound treatment 0.203 0.332 0.47 0.518 0.589 1.16 0.378 0.428061435973353 0.824457961027153 1.4208 0.9456 3087971 TimTec1_005863 CN(C)/C=N\c1ccc2nonc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K12 compound treatment 0.101 0.23 0.33 -0.068 0.00344 0.01 -0.548 -0.497938564026647 -0.959043209021412 -0.3607 -0.3559 1432844 TimTec1_005864 CCOC(=O)c1c(CN2CCCC2)n(C)c3cc(Br)c(OC)cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K13 compound treatment -0.136 -0.00659 -0.01 0.459 0.53 1.05 -0.269 -0.218938564026647 -0.421681625389069 0.3558 0.3151 3211946 TimTec1_005865 CSC1=NC2(CC(Oc3cc(O)ccc32)c4ccccc4)CC(C)(C)N1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K14 compound treatment 0.074 0.203 0.29 0.206 0.277 0.55 0.029 0.079061435973353 0.152274474691355 0.5712 0.8954 3087973 TimTec1_005866 CC(=O)N1C(=O)/C(=C\c2cccnc2)/NC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K15 compound treatment -0.077 0.0524 0.07 0.577 0.648 1.28 0.484 0.534061435973353 1.02861684226381 1.3761 0.837 1685221 TimTec1_005867 CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc3CC(C)CCc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K16 compound treatment 0.016 0.145 0.21 0.382 0.453 0.9 0.537 0.587061435973353 1.13069628288214 1.2891 0.8848 3087975 TimTec1_005868 Oc1ccccc1c2cc(nn2Cc3ccc(Cl)cc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K17 compound treatment -0.69 -0.561 -0.8 0.0 0.0714 0.14 0.175 0.225061435973353 0.433474443187133 -0.1285 -0.1399 1551420 TimTec1_005869 COC(=O)c1ccc(N=NN2CCCCCC2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K18 compound treatment -0.246 -0.117 -0.17 0.658 0.729 1.44 0.333 0.383061435973353 0.737786737860646 1.1618 0.7142 1545682 TimTec1_005870 COc1ccc(cc1)C2CC(=O)Oc3ccc(cc23)C(C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K19 compound treatment -0.069 0.0604 0.09 0.23 0.301 0.6 0.087 0.137061435973353 0.263984051217075 0.5456 0.8308 1253632 TimTec1_005871 O=C(N(Cc1ccccc1)c2ccccn2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K20 compound treatment 0.042 0.171 0.24 0.302 0.373 0.74 0.471 0.521061435973353 1.0035784889046 1.1458 0.903 3211947 TimTec1_005872 COc1nc(OC)nc(n1)n2cnc(NC(=O)Nc3cccc(Cl)c3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K21 compound treatment -0.234 -0.105 -0.15 0.027 0.0984 0.19 0.074 0.124061435973353 0.238945697857862 0.1643 0.4804 1118061 TimTec1_005873 Sc1nc2-c3ccccc3CC(C4CCCCC4)c2c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K22 compound treatment 0.036 0.165 0.24 0.037 0.108 0.21 0.082 0.132061435973353 0.254353915309685 0.4062 0.9976 3211948 TimTec1_005874 CCC(C#N)C1(CC2CC3CC(C2)C1)C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K23 mock treatment 0.538 0.667 0.95 0.277 0.348 0.69 0.366 0.416061435973353 0.801345634849418 1.4077 0.9915 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 K24 mock treatment -0.278 -0.149 -0.21 0.114 0.185 0.37 -0.047 0.003061435973353 0.00589640889903222 0.0928 0.2196 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L01 compound treatment -0.195 -0.0656 -0.09 0.015 0.0864 0.17 -0.018 0.032061435973353 0.0617511971618922 0.0803 0.3938 3087980 TimTec1_005875 COC(=O)c1ccc(cc1)C2OCC(C)(C)CO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L02 compound treatment -0.25 -0.121 -0.17 0.359 0.43 0.85 0.0 0.050061435973353 0.096419686428495 0.4474 0.5128 1135137 TimTec1_005876 CCOc1ccc(CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L03 compound treatment -0.404 -0.275 -0.39 0.027 0.0984 0.19 -0.108 -0.057938564026647 -0.111591249171122 -0.1776 -0.3945 3211949 TimTec1_005877 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)N)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L04 compound treatment -0.545 -0.416 -0.59 -0.976 -0.905 -1.79 -0.15 -0.099938564026647 -0.192484390793195 -1.4835 -0.7844 1515423 TimTec1_005878 CCOc1nc(Cl)nc(n1)N2CCCCC2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L05 compound treatment 0.444 0.573 0.82 0.161 0.232 0.46 -0.069 -0.018938564026647 -0.0364761890934823 0.7146 0.7632 3088028 TimTec1_005879 COc1ccc(cc1)C(=O)NC(N2CCCCC2c3cccnc3)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L06 compound treatment -0.246 -0.117 -0.17 0.06 0.131 0.26 -0.343 -0.292938564026647 -0.564207636818436 -0.2716 -0.4226 1732675 TimTec1_005880 CCOc1ccc(CC(=O)Nc2ccccc2)cc1OCC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L07 compound treatment -0.533 -0.404 -0.57 -0.101 -0.0296 -0.06 -0.21 -0.159938564026647 -0.308046021681871 -0.5428 -0.8302 1230635 TimTec1_005881 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccc(O)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L08 compound treatment -0.563 -0.434 -0.62 -0.263 -0.192 -0.38 -0.429 -0.378938564026647 -0.729845974425538 -0.9957 -0.969 1233176 TimTec1_005882 CCNC(=O)C1CC(=O)OC21CCCCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L09 compound treatment -0.104 0.0254 0.04 0.131 0.202 0.4 0.026 0.076061435973353 0.146496393146921 0.3362 0.7869 1157682 TimTec1_005883 COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L10 compound treatment -0.345 -0.216 -0.31 -0.596 -0.525 -1.04 -0.397 -0.346938564026647 -0.668213104618244 -1.1608 -0.9139 3088032 TimTec1_005884 CC(=O)ON1C(C)(C)C=C(C(=O)N)C1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L11 compound treatment 0.122 0.251 0.36 -0.448 -0.377 -0.74 -0.58 -0.529938564026647 -1.02067607882871 -0.8122 -0.6189 3211950 TimTec1_005885 COc1ccccc1n2c(S)nnc2Cc3ccc(Cl)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L12 compound treatment 0.159 0.288 0.41 -0.367 -0.296 -0.58 -0.266 -0.215938564026647 -0.415903543844635 -0.3403 -0.4122 1274328 TimTec1_005886 COc1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L13 compound treatment 0.024 0.153 0.22 -0.085 -0.0136 -0.03 -0.073 -0.022938564026647 -0.044180297819394 0.085 0.379 3211951 TimTec1_005887 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5ccc(F)cc5)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L14 compound treatment -0.045 0.0844 0.12 0.351 0.422 0.83 0.214 0.264061435973353 0.508589503264772 0.8445 0.858 1513069 TimTec1_005888 CC(C)c1c(NC(=O)c2ccc(Cl)cc2)cc(C)c(O)c1S(=O)(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L15 compound treatment -0.018 0.111 0.16 -0.337 -0.266 -0.52 -0.486 -0.435938564026647 -0.83962952376978 -0.696 -0.6943 1273520 TimTec1_005889 CCn1c(SCCn2c(=S)n(C)c3ccccc23)nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L16 compound treatment 0.741 0.87 1.24 0.6 0.671 1.33 0.517 0.567061435973353 1.09217573925259 2.1105 0.9969 1715744 TimTec1_005890 C(N1CCCC1)c2cc3ccccc3c4COCc42 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L17 compound treatment -0.327 -0.198 -0.28 -0.038 0.0334 0.07 0.242 0.292061435973353 0.562518264346154 0.2007 0.3174 1402014 TimTec1_005891 Cc1nc2cccc(C(=O)Oc3ccc(cc3)C(C)(C)C)c2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L18 compound treatment -0.242 -0.113 -0.16 -0.008 0.0634 0.13 0.232 0.282061435973353 0.543257992531375 0.2935 0.5061 1594146 TimTec1_005892 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCCC3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L19 compound treatment -0.284 -0.155 -0.22 0.18 0.251 0.5 -0.47 -0.419938564026647 -0.808813088866133 -0.3072 -0.3154 3088038 TimTec1_005893 CCc1nnc(NC(=O)CSc2nnc(c3cccs3)n2CC=C)s1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L20 compound treatment 1.197 1.33 1.72 -0.12 -0.0486 -0.1 0.538 0.588061435973353 1.13262231006362 1.5936 0.7719 3211952 TimTec1_005894 CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L21 compound treatment 0.037 0.166 0.24 -3.204 -3.13 -6.19 -3.522 -3.47193856402665 -6.68704804673678 -7.2952 -0.8006 3088039 TimTec1_005895 OC(=O)/C(=C/C(=O)c1ccccc1)/Nc2ccc(OC(F)(F)F)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L22 compound treatment -0.465 -0.336 -0.48 0.136 0.207 0.41 -0.538 -0.487938564026647 -0.939782937206632 -0.5816 -0.5143 1788194 TimTec1_005896 CCOC(=O)c1c(C)c(NC(=O)C)c(C)n1C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L23 mock treatment -0.989 -0.86 -1.22 0.768 0.839 1.66 0.014 0.064061435973353 0.123384066969186 0.3226 0.1564 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 L24 mock treatment -0.305 -0.176 -0.25 0.107 0.178 0.35 0.094 0.144061435973353 0.277466241487421 0.2195 0.4276 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M01 compound treatment 0.061 0.19 0.27 -0.224 -0.153 -0.3 -0.652 -0.601938564026647 -1.15935003589512 -0.687 -0.5594 1430182 TimTec1_005897 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(C)cc3)no1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M02 compound treatment -0.829 -0.7 -0.99 -0.385 -0.314 -0.62 -0.493 -0.442938564026647 -0.853111714040125 -1.4243 -0.9827 1516860 TimTec1_005898 CCN1C2OC3OC4C(OC3OC2N(CC)S1(=O)=O)N(CC)S(=O)(=O)N4CC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M03 compound treatment -1.74 -1.61 -2.29 -0.473 -0.402 -0.79 -0.608 -0.557938564026647 -1.07460483991009 -2.4003 -0.9055 1315988 TimTec1_005899 Clc1ccccc1NCn2nc(c3ccccc3)n(CC=C)c2=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M04 compound treatment -0.333 -0.204 -0.29 0.016 0.0874 0.17 -0.456 -0.405938564026647 -0.781848708325442 -0.5188 -0.6094 3088042 TimTec1_005900 CCC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M05 compound treatment -0.608 -0.479 -0.68 -0.406 -0.335 -0.66 -0.626 -0.575938564026647 -1.10927332917669 -1.4147 -0.9694 3211953 TimTec1_005901 CC(C)C1C(=C(N)Oc2n[nH]c(C)c12)C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M06 compound treatment -0.472 -0.343 -0.49 -0.554 -0.483 -0.95 -0.364 -0.313938564026647 -0.604654207629472 -1.1804 -0.9604 1171314 TimTec1_005902 COc1ccc(OC)c(CNc2ccc3n(C)c(C)nc3c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M07 compound treatment -0.797 -0.668 -0.95 0.0 0.0714 0.14 -0.429 -0.378938564026647 -0.729845974425538 -0.8879 -0.7365 3088045 TimTec1_005903 CCOC(=O)C1=C(C)NC(=NC1c2ccccc2)SCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M08 compound treatment 0.092 0.221 0.31 -0.962 -0.891 -1.76 -0.767 -0.716938564026647 -1.38084316176508 -1.6307 -0.7222 1705094 TimTec1_005904 OC(=O)Cc1c(Sc2ccccc2)c3ccccc3n1Cc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M09 compound treatment -0.122 0.00741 0.01 -0.472 -0.401 -0.79 -0.423 -0.372938564026647 -0.71828981133667 -0.8653 -0.8098 3211954 TimTec1_005905 CN(C)c1ccc(/C=C/2\C(=O)N(N=C2C(=O)Nc3ccccc3)c4ccccc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M10 compound treatment -0.632 -0.503 -0.71 -0.422 -0.351 -0.69 -0.725 -0.674938564026647 -1.29995002014301 -1.5627 -0.9547 1621165 TimTec1_005906 O1c2ccccc2N=C(c3ccccc3)c4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M11 compound treatment -0.21 -0.0806 -0.11 -0.224 -0.153 -0.3 -0.038 0.012061435973353 0.0232306535323336 -0.2267 -0.7015 1640716 TimTec1_005907 CCN(CC)C(=O)c1cn(nc1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M12 compound treatment -0.169 -0.0396 -0.06 -1.648 -1.58 -3.11 -2.028 -1.97793856402665 -3.80956343760875 -4.0292 -0.8189 3211955 TimTec1_005908 OC(=O)C1CC(=O)N(CCc2ccccc2)/C(=N/CCc3ccccc3)/S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M13 compound treatment -0.042 0.0874 0.12 0.059 0.13 0.26 -0.86 -0.809938564026647 -1.55996368964253 -0.6802 -0.4289 3088114 TimTec1_005909 CCCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CCO)/SC1=S 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M14 compound treatment -0.657 -0.528 -0.75 -0.142 -0.0706 -0.14 -0.155 -0.104938564026647 -0.202114526700584 -0.6302 -0.7985 1416853 TimTec1_005910 CCCCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M15 compound treatment 0.289 0.418 0.59 -0.266 -0.195 -0.38 0.163 0.213061435973353 0.410362117009398 0.3586 0.4381 3088116 TimTec1_005911 FC(F)(F)c1cccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M16 compound treatment -1.263 -1.13 -1.61 -0.96 -0.889 -1.75 -1.358 -1.30793856402665 -2.51912522601854 -3.3979 -0.98 1117685 TimTec1_005912 CN(C)c1ccc(cc1)C2OC(COc3ccccc3)CN(O2)C(=O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M17 compound treatment 0.403 0.532 0.76 -0.045 0.0264 0.05 -0.474 -0.423938564026647 -0.816517197592045 -0.0042 -0.0038 1411622 TimTec1_005913 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)N4CCCCC4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M18 compound treatment -0.488 -0.359 -0.51 -0.467 -0.396 -0.78 -0.358 -0.307938564026647 -0.593098044540605 -1.0877 -0.9841 1119974 TimTec1_005914 COc1ccc(cc1)c2nc(SCc3ccccc3C#N)[nH]c(=O)c2C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M19 compound treatment 0.015 0.144 0.21 0.102 0.173 0.34 -0.165 -0.114938564026647 -0.221374798515364 0.1884 0.4128 1518985 TimTec1_005915 CC(C1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M20 compound treatment -1.111 -0.982 -1.4 -0.679 -0.608 -1.2 -0.69 -0.639938564026647 -1.23253906879128 -2.21 -0.9978 3088119 TimTec1_005916 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc3ccccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M21 compound treatment -0.634 -0.505 -0.72 -0.074 -0.00256 -0.01 -0.037 0.013061435973353 0.0251566807138115 -0.4026 -0.5608 1232476 TimTec1_005917 CC1CN(C(=O)C)c2ccccc2NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M22 compound treatment -0.598 -0.469 -0.67 -0.583 -0.512 -1.01 -0.457 -0.406938564026647 -0.78377473550692 -1.4203 -0.9852 1452888 TimTec1_005918 O=C1N(C(=O)c2cccc3cccc1c23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M23 mock treatment 0.209 0.338 0.48 -0.064 0.00744 0.01 0.071 0.121061435973353 0.233167616313428 0.4209 0.7869 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 M24 mock treatment -1.32 -1.19 -1.69 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 -0.8402 -0.4938 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N01 compound treatment -0.147 -0.0176 -0.03 0.218 0.289 0.57 0.297 0.347061435973353 0.668449759327441 0.7014 0.7973 1241281 TimTec1_005919 COc1cc(NC(=O)c2cc3ccccc3cc2OCC(=O)NC(C)(C)C)c(OC)cc1Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N02 compound treatment -0.137 -0.00759 -0.01 -0.469 -0.398 -0.78 -0.321 -0.270938564026647 -0.521835038825921 -0.7607 -0.807 3088122 TimTec1_005920 CCn/1cccc\c1=N/P2(=S)OCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N03 compound treatment -1.169 -1.04 -1.48 -0.687 -0.616 -1.22 -0.644 -0.593938564026647 -1.14394181844329 -2.2156 -0.9938 1595949 TimTec1_005921 OC1=C(C(N(CCc2ccccc2)C1=O)c3ccccc3)C(=O)c4cccs4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N04 compound treatment -0.484 -0.355 -0.5 -0.377 -0.306 -0.6 -0.513 -0.462938564026647 -0.891632257669684 -1.1542 -0.9709 1572095 TimTec1_005922 COCc1cc(C)nc2[nH]nc(N)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N05 compound treatment -1.935 -1.81 -2.57 -1.655 -1.58 -3.13 -0.926 -0.875938564026647 -1.68708148362007 -4.2614 -0.9722 3212011 TimTec1_005923 O=C(NCCOc1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N06 compound treatment -1.074 -0.945 -1.34 -0.038 0.0334 0.07 -0.207 -0.156938564026647 -0.302267940137437 -0.9118 -0.6616 3212012 TimTec1_005924 CCOC(=O)c1cn(nc1N)C2CC(=O)C3OCC2O3.CCOC(=O)c1cn(nc1N)C2CC(O)(O)C3OCC2O3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N07 compound treatment 0.043 0.172 0.25 0.17 0.241 0.48 0.095 0.145061435973353 0.279392268668899 0.5781 0.9563 3088126 TimTec1_005925 NC[C@@H]1CCCN2CCCC[C@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N08 compound treatment -0.479 -0.35 -0.5 -0.263 -0.192 -0.38 0.033 0.083061435973353 0.159978583417267 -0.413 -0.6405 1354761 TimTec1_005926 CCC(C)NCc1ccc(o1)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N09 compound treatment -0.462 -0.333 -0.47 -0.109 -0.0376 -0.07 -0.247 -0.196938564026647 -0.379309027396554 -0.5348 -0.8757 1518220 TimTec1_005927 CSC1=NC(=C(C(=O)Nc2ccccc2)C3(CCCCC3)C1C(=O)N)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N10 compound treatment 0.886 1.02 1.44 0.429 0.5 0.99 0.805 0.855061435973353 1.64687156751823 2.3548 0.9801 3212013 TimTec1_005928 OC1(O)CC(C2COC1O2)n3nc(c4ccco4)n(CC=C)c3=S.C=CCn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N11 compound treatment 0.217 0.346 0.49 0.096 0.167 0.33 -1.635 -1.58493856402665 -3.05263475528792 -1.2872 -0.4139 3088130 TimTec1_005929 Cc1cc2CC(C)(C)N/C(=C/C(=O)N)/c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N12 compound treatment 0.082 0.211 0.3 0.034 0.105 0.21 -0.068 -0.017938564026647 -0.0345501619120044 0.2738 0.7455 1138138 TimTec1_005930 CCOC(=O)c1[nH]c(C)c(CNc2ccccc2)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N13 compound treatment -0.867 -0.738 -1.05 -0.475 -0.404 -0.8 -0.377 -0.326938564026647 -0.629692560988685 -1.4291 -0.9789 1675612 TimTec1_005931 COc1nonc1n2nnc(C(=O)c3ccccc3)c2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N14 compound treatment -0.434 -0.305 -0.43 -0.541 -0.47 -0.93 -0.434 -0.383938564026647 -0.739476110332927 -1.2123 -0.9602 1140939 TimTec1_005932 CCCc1c(C)[nH]c2nc3ccccc3n2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N15 compound treatment -0.523 -0.394 -0.56 -0.152 -0.0806 -0.16 -0.113 -0.062938564026647 -0.121221385078511 -0.4849 -0.816 3088132 TimTec1_005933 Clc1ccccc1c2nnc3cccc(Cl)n23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N16 compound treatment 0.333 0.462 0.66 0.433 0.504 1.0 0.405 0.455061435973353 0.876460694927057 1.4607 0.9865 1219341 TimTec1_005934 CCN(C(=O)c1c(C)c(Cl)c(C)nc1Oc2ccc(F)cc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N17 compound treatment -1.683 -1.55 -2.21 -1.117 -1.05 -2.06 -0.362 -0.311938564026647 -0.600802153266516 -2.8141 -0.9129 1518508 TimTec1_005935 CC(=O)N(CC1(CC2CC3CC(C2)C1)C3)C4CC(=O)N(C4=O)c5cccc(Cl)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N18 compound treatment -1.25 -1.12 -1.59 -0.095 -0.0236 -0.05 -0.705 -0.654938564026647 -1.26142947651345 -1.675 -0.824 3088204 TimTec1_005936 Cn1nc(cc1Cl)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N19 compound treatment -2.675 -2.55 -3.62 -2.516 -2.44 -4.83 -2.042 -1.99193856402665 -3.83652781814944 -7.0914 -0.9919 3088206 TimTec1_005937 Cc1ccc(N/C(=C/C(=O)c2ccccc2)/C(=O)O)cc1Br 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N20 compound treatment -0.39 -0.261 -0.37 -0.444 -0.373 -0.74 -0.762 -0.711938564026647 -1.37121302585769 -1.4303 -0.8942 3088207 TimTec1_005938 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N21 compound treatment 0.479 0.608 0.87 0.545 0.616 1.22 0.833 0.883061435973353 1.70080032859961 2.1841 0.965 3212014 TimTec1_005939 COCCN1C=C(C(C(=C1)C(=O)OC)c2cccs2)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N22 compound treatment 0.286 0.415 0.59 -0.018 0.0534 0.11 -0.027 0.023061435973353 0.0444169525285909 0.4276 0.7107 3212015 TimTec1_005940 CN/1CCC\C1=C\C=C\2/SC(=S)NC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N23 mock treatment -0.725 -0.596 -0.85 -0.07 0.00144 0.0 0.133 0.183061435973353 0.35258130156506 -0.2837 -0.3093 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 N24 mock treatment -0.121 0.00841 0.01 -0.542 -0.471 -0.93 -0.783 -0.732938564026647 -1.41165959666873 -1.3446 -0.7956 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O01 compound treatment -0.667 -0.538 -0.76 0.323 0.394 0.78 -0.177 -0.126938564026647 -0.244487124693099 -0.1328 -0.1187 1199249 TimTec1_005941 CCCn1c2ccccc2c3nnc(SCC(=O)NC(C)c4ccccc4)nc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O02 compound treatment -0.094 0.0354 0.05 -0.161 -0.0896 -0.18 0.494 0.544061435973353 1.04787711407859 0.532 0.5 1786664 TimTec1_005942 CC(C)c1cc(=O)n2nc(N)[nH]c2n1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O03 compound treatment -0.571 -0.442 -0.63 -0.148 -0.0766 -0.15 -0.269 -0.218938564026647 -0.421681625389069 -0.6932 -0.8988 3212016 TimTec1_005943 Fc1ccccc1COc2ccccc2/C=C\3/SC(=N)NC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O04 compound treatment -1.32 -1.19 -1.69 -0.803 -0.732 -1.44 -0.605 -0.554938564026647 -1.06882675836565 -2.4284 -0.9837 1724360 TimTec1_005944 c1c(nc2nc(c3ccccc3)c(nn12)c4ccccc4)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O05 compound treatment -0.443 -0.314 -0.45 -0.119 -0.0476 -0.09 -0.088 -0.037938564026647 -0.073070705541563 -0.3538 -0.7667 3088212 TimTec1_005945 O=C(CSC1=NC(CC(=O)N1)c2ccccc2)Nc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O06 compound treatment 1.493 1.62 1.87 0.732 0.803 1.59 0.649 0.699061435973353 1.34641132720767 2.7719 0.9912 1025381 TimTec1_005946 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O07 compound treatment -0.8 -0.671 -0.95 0.088 0.159 0.31 -0.141 -0.090938564026647 -0.175150146159893 -0.4698 -0.461 1512733 TimTec1_005947 COc1ccc(cc1)C2=C(C)C(c3cccs3)c4ccccc4O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O08 compound treatment -0.52 -0.391 -0.56 -0.141 -0.0696 -0.14 0.197 0.247061435973353 0.475847041179648 -0.1252 -0.1682 3088214 TimTec1_005948 COC(=O)c1ccc(cc1)C2OCCCO2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O09 compound treatment -0.244 -0.115 -0.16 0.029 0.1 0.2 -0.139 -0.088938564026647 -0.171298091796938 -0.0785 -0.2543 3212017 TimTec1_005949 CCN(CC)N=Nc1n[nH]c2nc(C)cc(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O10 compound treatment -1.32 -1.19 -1.69 -1.988 -1.92 -3.78 -1.798 -1.74793856402665 -3.36657718586883 -5.1059 -0.9561 1112286 TimTec1_005950 CC(=O)Nc1ccc(Cl)cc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O11 compound treatment -0.224 -0.0946 -0.13 -0.528 -0.457 -0.9 -0.716 -0.665938564026647 -1.2826157755097 -1.3386 -0.8507 3212018 TimTec1_005951 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4c[nH]c5ccccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O12 compound treatment 0.054 0.183 0.26 0.257 0.328 0.65 0.036 0.086061435973353 0.165756664961701 0.6207 0.864 3212019 TimTec1_005952 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O13 compound treatment -0.882 -0.753 -1.07 -0.231 -0.16 -0.32 -0.627 -0.576938564026647 -1.11119935635817 -1.4412 -0.9154 1583863 TimTec1_005953 CCOC(=O)C1(CCN(Cc2cccc(c2)C(=O)O)CC1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O14 compound treatment 0.203 0.332 0.47 -0.149 -0.0776 -0.15 0.568 0.618061435973353 1.19040312550796 0.8717 0.6758 3212020 TimTec1_005954 COC(=O)c1c(NC(NC(=O)C)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O15 compound treatment -1.623 -1.49 -2.12 -1.565 -1.49 -2.95 -1.368 -1.31793856402665 -2.53838549783332 -4.3942 -0.9913 1330742 TimTec1_005955 COc1ccc(cc1)C(=O)c2sc3nc(cc(c4cccs4)c3c2N)c5cccs5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O16 compound treatment -2.274 -2.14 -3.05 -2.576 -2.5 -4.95 -2.541 -2.49093856402665 -4.79761538170693 -7.3855 -0.9802 1008206 TimTec1_005956 NNc1ccc(Br)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O17 compound treatment -0.469 -0.34 -0.48 -0.317 -0.246 -0.48 -0.524 -0.473938564026647 -0.912818556665941 -1.0857 -0.9517 3212021 TimTec1_005957 C/N=C\1/S/C(=C\c2sccc2C)/C(=O)N1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O18 compound treatment -0.831 -0.702 -1.0 -0.4 -0.329 -0.65 -0.098 -0.047938564026647 -0.0923309773563423 -1.0038 -0.841 1627835 TimTec1_005958 OC(C(=O)NN1CCCCC1)(c2ccsc2)c3ccsc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O19 compound treatment -0.679 -0.55 -0.78 -0.35 -0.279 -0.55 -0.097 -0.046938564026647 -0.0904049501748644 -0.8209 -0.8552 3088220 TimTec1_005959 C/C(=N/O)/C1CCCCCCCCCCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O20 compound treatment -0.11 0.0194 0.03 -0.308 -0.237 -0.47 -0.429 -0.378938564026647 -0.729845974425538 -0.6751 -0.7787 3212022 TimTec1_005960 Fc1cccc(C(=O)N2CCCCC2)c1F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O21 compound treatment 0.013 0.142 0.2 0.403 0.474 0.94 0.19 0.240061435973353 0.462364850909302 0.9247 0.869 1373583 TimTec1_005961 Clc1ccc(cc1)C2(CC(=O)N3CCCCC3)C(=O)c4ccccc4C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O22 compound treatment -0.512 -0.383 -0.54 -0.463 -0.392 -0.77 -0.679 -0.628938564026647 -1.21135276979502 -1.4598 -0.95 1018702 TimTec1_005962 Oc1ccccc1C(=O)N2CCOCC2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O23 mock treatment 0.172 0.301 0.43 0.0 0.0714 0.14 0.0 0.050061435973353 0.096419686428495 0.3845 0.8335 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 O24 mock treatment -0.136 -0.00659 -0.01 -0.164 -0.0926 -0.18 0.141 0.191061435973353 0.367989519016883 0.1015 0.247 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P01 compound treatment -0.097 0.0324 0.05 0.026 0.0974 0.19 0.179 0.229061435973353 0.441178551913045 0.3924 0.8116 1707498 TimTec1_005963 COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC3(CC4CC5CC(C4)C3)C5)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P02 compound treatment -0.077 0.0524 0.07 -0.24 -0.169 -0.33 0.143 0.193061435973353 0.371841573379839 0.0655 0.1299 3088297 TimTec1_005964 CC1(C)COP(=S)(OC1)N(C2=NCCC2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P03 compound treatment -0.158 -0.0286 -0.04 0.192 0.263 0.52 0.032 0.082061435973353 0.158052556235789 0.3681 0.6752 3212023 TimTec1_005965 CCC1CC(O)C(C)C(C)S1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P04 compound treatment 1.258 1.39 1.76 -0.453 -0.382 -0.75 0.5 0.550061435973353 1.05943327716746 1.1906 0.5449 3088299 TimTec1_005966 Oc1c(Cl)cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P05 compound treatment -0.091 0.0384 0.05 -0.141 -0.0696 -0.14 -0.004 0.046061435973353 0.0887155777025833 0.0034 0.02 1497087 TimTec1_005967 COc1ccccc1n2c(CSc3ccccn3)nc4ccccc4c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P06 compound treatment -0.174 -0.0446 -0.06 -0.058 0.0134 0.03 -0.344 -0.293938564026647 -0.566133663999913 -0.3481 -0.6105 3088301 TimTec1_005968 FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P07 compound treatment -0.213 -0.0836 -0.12 -0.186 -0.115 -0.23 0.272 0.322061435973353 0.620299079790492 0.1589 0.2369 3212024 TimTec1_005969 Brc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P08 compound treatment 0.113 0.242 0.34 0.797 0.868 1.71 0.808 0.858061435973353 1.65264964906266 2.1432 0.8906 3212086 TimTec1_005970 Cc1cc(Cl)ccc1OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P09 compound treatment -0.164 -0.0346 -0.05 0.072 0.143 0.28 0.145 0.195061435973353 0.375693627742795 0.352 0.7442 1275002 TimTec1_005971 CC(NC(=O)NC1(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P10 compound treatment -0.032 0.0974 0.14 -0.781 -0.71 -1.4 -0.851 -0.800938564026647 -1.54262944500922 -1.6196 -0.7755 1579554 TimTec1_005972 COc1ccc(cc1OC)C2SCC(=O)N2CCN3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P11 compound treatment 1.355 1.48 1.8 -0.154 -0.0826 -0.16 -0.07 -0.019938564026647 -0.0384022162749602 0.9258 0.5107 3088305 TimTec1_005973 CNc1nc(cc(n1)C(F)(F)F)c2cccs2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P12 compound treatment -0.41 -0.281 -0.4 -0.304 -0.233 -0.46 -0.219 -0.168938564026647 -0.325380266315172 -0.6833 -0.9905 1420064 TimTec1_005974 Fc1ccccc1c2nnn(CC(=O)NCc3ccc4OCOc4c3)n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P13 compound treatment -0.82 -0.691 -0.98 -0.782 -0.711 -1.4 -0.26 -0.209938564026647 -0.404347380755767 -1.6104 -0.9152 1669226 TimTec1_005975 CCOC(=O)C1=C(N)CC(NC1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P14 compound treatment -0.5 -0.371 -0.53 0.014 0.0854 0.17 -0.103 -0.052938564026647 -0.101961113263732 -0.2657 -0.4723 3088307 TimTec1_005976 COc1cc(ccc1n2cnnn2)n3cnnn3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P15 compound treatment 0.316 0.445 0.63 0.487 0.558 1.1 0.548 0.598061435973353 1.1518825818784 1.6673 0.9718 1638981 TimTec1_005977 COc1ccc(NC(=O)C2(CCCCC2)N(C(=O)Cn3nnnc3N)c4ccc(OC)cc4)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P16 compound treatment 0.126 0.255 0.36 0.182 0.253 0.5 0.86 0.910061435973353 1.75280306249952 1.5106 0.8127 1387660 TimTec1_005978 CN(C)c1ccc(cc1)C(N2C(CC2=O)c3ccco3)C(=O)Nc4c(C)cccc4C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P17 compound treatment 1.293 1.42 1.77 0.8 0.871 1.72 0.024 0.074061435973353 0.142644338783965 2.1001 0.8483 1166206 TimTec1_005979 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)N(CC=C)CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P18 compound treatment 0.932 1.06 1.51 -0.322 -0.251 -0.49 -0.329 -0.278938564026647 -0.537243256277745 0.2755 0.1643 3088310 TimTec1_005980 Cc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P19 compound treatment -0.075 0.0544 0.08 -0.107 -0.0356 -0.07 -0.304 -0.253938564026647 -0.489092576740796 -0.2783 -0.5564 3212087 TimTec1_005981 CC(=O)NC(NCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P20 compound treatment -0.456 -0.327 -0.46 -0.119 -0.0476 -0.09 -0.333 -0.282938564026647 -0.544947365003656 -0.6369 -0.8821 3212088 TimTec1_005982 Brc1ccc2nc(oc(=O)c2c1)c3ccc4C(=O)N(C5CCCCC5)C(=O)c4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P21 compound treatment -0.132 -0.00259 0.0 0.278 0.349 0.69 0.026 0.076061435973353 0.146496393146921 0.4808 0.6816 1700737 TimTec1_005983 Cc1ccc(cc1S(=O)(=O)NCc2ccccn2)c3nnc(Nc4ccccc4)c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P22 compound treatment 0.094 0.223 0.32 -0.458 -0.387 -0.76 -0.333 -0.282938564026647 -0.544947365003656 -0.5719 -0.5776 3212089 TimTec1_005984 CN1CCC(CC1)OC(=O)c2cc3cc(Br)ccc3oc2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P23 mock treatment -0.081 0.0484 0.07 0.506 0.577 1.14 0.058 0.108061435973353 0.208129262954215 0.8182 0.7047 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2079 P24 mock treatment -0.377 -0.248 -0.35 0.043 0.114 0.23 0.203 0.253061435973353 0.487403204268515 0.2086 0.3248 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A01 compound treatment -0.459 -0.33 -0.47 -0.529 -0.458 -0.9 -0.084 -0.033938564026647 -0.0653665968156513 -0.8299 -0.8137 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A02 compound treatment -0.329 -0.2 -0.28 -0.603 -0.532 -1.05 -0.261 -0.210938564026647 -0.406273407937245 -1.0044 -0.8653 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A03 compound treatment 0.011 0.14 0.2 -0.494 -0.423 -0.83 -0.539 -0.488938564026647 -0.94170896438811 -0.9102 -0.7145 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A04 compound treatment -0.415 -0.286 -0.41 -0.243 -0.172 -0.34 -0.217 -0.166938564026647 -0.321528211952216 -0.6156 -0.9948 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A05 compound treatment -0.91 -0.781 -1.11 -1.029 -0.958 -1.89 -1.566 -1.51593856402665 -2.91973887976595 -3.4181 -0.9361 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A06 compound treatment 1.391 1.52 1.82 0.821 0.892 1.76 0.547 0.597061435973353 1.14995655469692 2.7333 0.982 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A07 compound treatment -0.043 0.0864 0.12 0.08 0.151 0.3 0.081 0.131061435973353 0.252427888128207 0.3893 0.9492 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A08 compound treatment -0.778 -0.649 -0.92 -0.736 -0.665 -1.31 -0.321 -0.270938564026647 -0.521835038825921 -1.5913 -0.9435 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A09 compound treatment -0.074 0.0554 0.08 0.0 0.0714 0.14 0.045 0.095061435973353 0.183090909595002 0.2326 0.9527 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A10 compound treatment -0.317 -0.188 -0.27 -0.2 -0.129 -0.25 -0.37 -0.319938564026647 -0.61621037071834 -0.6563 -0.9143 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A11 compound treatment 0.287 0.416 0.59 -0.282 -0.211 -0.42 -1.916 -1.86593856402665 -3.59384839328322 -1.9731 -0.5382 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A12 compound treatment 0.323 0.452 0.64 0.127 0.198 0.39 0.213 0.263061435973353 0.506663476083294 0.8901 0.9806 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A13 mock treatment -0.143 -0.0136 -0.02 -0.078 -0.00656 -0.01 0.429 0.479061435973353 0.922685347282528 0.5141 0.557 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A14 mock treatment -0.143 -0.0136 -0.02 -0.439 -0.368 -0.73 -0.25 -0.199938564026647 -0.385087108940988 -0.6525 -0.794 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A15 compound treatment -0.321 -0.192 -0.27 -0.331 -0.26 -0.51 -0.24 -0.189938564026647 -0.365826837126209 -0.6644 -0.9684 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A16 compound treatment 0.053 0.182 0.26 -0.207 -0.136 -0.27 -0.292 -0.241938564026647 -0.465980250563061 -0.2738 -0.4589 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A17 compound treatment 0.478 0.607 0.86 0.167 0.238 0.47 0.228 0.278061435973353 0.535553883805463 1.0796 0.964 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A18 compound treatment 0.237 0.366 0.52 1.103 1.17 2.21 1.009 1.05906143597335 2.03100872923685 2.7493 0.9025 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A19 compound treatment -0.157 -0.0276 -0.04 0.306 0.377 0.75 0.22 0.270061435973353 0.52014566635364 0.7079 0.7782 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A20 compound treatment -0.153 -0.0236 -0.03 -0.365 -0.294 -0.58 -0.316 -0.265938564026647 -0.512204902918531 -0.6497 -0.8392 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A21 compound treatment -0.225 -0.0956 -0.14 -0.08 -0.00856 -0.02 -0.22 -0.169938564026647 -0.32730629349665 -0.2772 -0.7813 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A22 compound treatment -0.409 -0.28 -0.4 -0.533 -0.462 -0.91 -0.25 -0.199938564026647 -0.385087108940988 -0.978 -0.9172 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A23 compound treatment -0.942 -0.813 -1.16 0.618 0.689 1.36 -0.256 -0.205938564026647 -0.396643272029856 -0.1101 -0.0602 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 A24 compound treatment 0.0 0.129 0.18 -0.509 -0.438 -0.86 -1.585 -1.53493856402665 -2.95633339621403 -2.0994 -0.6804 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B01 compound treatment 3.725 3.85 2.42 2.138 2.21 2.84 1.262 1.31206143597335 2.24597351482593 4.3311 0.9951 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B02 compound treatment 0.403 0.532 0.76 1.254 1.33 2.33 0.753 0.803061435973353 1.54671815408138 2.6775 0.9231 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B03 compound treatment -0.47 -0.341 -0.48 -0.203 -0.132 -0.26 -0.149 -0.098938564026647 -0.190558363611717 -0.5396 -0.9277 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B04 compound treatment -0.883 -0.754 -1.07 0.017 0.0884 0.17 -0.519 -0.468938564026647 -0.903188420758552 -1.0392 -0.7359 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B05 compound treatment -1.0 -0.871 -1.24 -0.164 -0.0926 -0.18 0.0 0.050061435973353 0.096419686428495 -0.7645 -0.6092 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B06 compound treatment -0.188 -0.0586 -0.08 0.597 0.668 1.32 0.544 0.594061435973353 1.14417847315249 1.3745 0.786 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B07 compound treatment -0.275 -0.146 -0.21 -0.123 -0.0516 -0.1 -0.12 -0.069938564026647 -0.134703575348857 -0.2561 -0.9586 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B08 compound treatment 0.403 0.532 0.76 0.327 0.398 0.79 0.296 0.346061435973353 0.666523732145963 1.2761 0.9976 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B09 compound treatment -1.056 -0.927 -1.32 -0.333 -0.262 -0.52 -0.377 -0.326938564026647 -0.629692560988685 -1.4223 -0.9183 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B10 compound treatment -0.306 -0.177 -0.25 -0.444 -0.373 -0.74 -0.462 -0.411938564026647 -0.793404871414309 -1.0277 -0.9253 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B11 compound treatment 0.427 0.556 0.79 -0.023 0.0484 0.1 -0.095 -0.044938564026647 -0.0865528958119085 0.462 0.5764 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B12 compound treatment 0.742 0.871 1.24 -1.148 -1.08 -2.13 -1.414 -1.36393856402665 -2.6269827481813 -2.0286 -0.5636 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B13 mock treatment -0.033 0.0964 0.14 -0.049 0.0224 0.04 -0.243 -0.192938564026647 -0.371604918670642 -0.1098 -0.2756 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B14 mock treatment 0.088 0.217 0.31 -0.292 -0.221 -0.44 -0.541 -0.490938564026647 -0.945561018751066 -0.6189 -0.5699 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B15 compound treatment 3.652 3.78 2.41 2.661 2.73 3.03 2.478 2.52806143597335 2.87291708556895 4.7988 0.9954 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B16 compound treatment -0.636 -0.507 -0.72 -0.246 -0.175 -0.34 -0.127 -0.076938564026647 -0.148185765619202 -0.7004 -0.8624 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B17 compound treatment -1.683 -1.55 -2.21 -0.625 -0.554 -1.09 -0.843 -0.792938564026647 -1.5272212275574 -2.7881 -0.9616 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B18 compound treatment -0.969 -0.84 -1.19 0.049 0.12 0.24 -0.416 -0.365938564026647 -0.704807621066325 -0.9588 -0.6817 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B19 compound treatment -0.2 -0.0706 -0.1 -0.224 -0.153 -0.3 -0.262 -0.211938564026647 -0.408199435118723 -0.4675 -0.9041 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B20 compound treatment -0.587 -0.458 -0.65 -0.278 -0.207 -0.41 -0.29 -0.239938564026647 -0.462128196200105 -0.8779 -0.9796 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B21 compound treatment -1.264 -1.13 -1.61 -0.625 -0.554 -1.09 -0.532 -0.481938564026647 -0.928226774117765 -2.0983 -0.9722 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B22 compound treatment 0.012 0.141 0.2 -0.143 -0.0716 -0.14 -0.103 -0.052938564026647 -0.101961113263732 -0.0244 -0.0916 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B23 compound treatment -0.512 -0.383 -0.54 1.326 1.4 2.39 -0.429 -0.378938564026647 -0.729845974425538 0.6432 0.2517 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 B24 compound treatment 0.209 0.338 0.48 -0.03 0.0414 0.08 0.085 0.135061435973353 0.260131996854119 0.4752 0.8593 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C01 compound treatment 1.191 1.32 1.72 1.873 1.94 2.72 1.044 1.09406143597335 2.06364564962315 3.753 0.9823 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C02 compound treatment 0.508 0.637 0.91 -0.47 -0.399 -0.79 0.025 0.075061435973353 0.144570365965443 0.1523 0.126 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C03 compound treatment -0.275 -0.146 -0.21 -0.169 -0.0976 -0.19 -0.192 -0.141938564026647 -0.273377532415268 -0.3886 -0.9879 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C04 compound treatment -0.29 -0.161 -0.23 -0.067 0.00444 0.01 0.065 0.115061435973353 0.221611453224561 0.0012 0.0037 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C05 compound treatment -1.433 -1.3 -1.85 -1.102 -1.03 -2.03 -1.065 -1.01493856402665 -1.9547992618455 -3.3735 -0.9993 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C06 compound treatment -0.662 -0.533 -0.76 -0.053 0.0184 0.04 -0.189 -0.138938564026647 -0.267599450870834 -0.5707 -0.7098 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C07 compound treatment 0.044 0.173 0.25 0.066 0.137 0.27 -0.033 0.017061435973353 0.0328607894397233 0.318 0.8638 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C08 compound treatment -0.513 -0.384 -0.55 0.042 0.113 0.22 -0.134 -0.083938564026647 -0.161667955889548 -0.2789 -0.4562 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C09 compound treatment -0.181 -0.0516 -0.07 -0.078 -0.00656 -0.01 0.025 0.075061435973353 0.144570365965443 0.0336 0.2068 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C10 compound treatment -0.585 -0.456 -0.65 0.214 0.285 0.56 0.064 0.114061435973353 0.219685426043083 0.0783 0.0883 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C11 mock treatment -0.576 -0.447 -0.63 -0.397 -0.326 -0.64 -0.865 -0.814938564026647 -1.56959382554992 -1.6439 -0.9077 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C12 mock treatment 0.059 0.188 0.27 -0.118 -0.0466 -0.09 -0.487 -0.436938564026647 -0.841555550951258 -0.3843 -0.4328 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C13 compound treatment 0.269 0.398 0.57 -0.05 0.0214 0.04 0.031 0.081061435973353 0.156126529054311 0.4416 0.7497 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C14 compound treatment -0.18 -0.0506 -0.07 -0.046 0.0254 0.05 0.0 0.050061435973353 0.096419686428495 0.0431 0.3309 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C15 mock treatment 0.432 0.561 0.8 -0.364 -0.293 -0.58 -0.63 -0.579938564026647 -1.1169774379026 -0.5176 -0.3475 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C16 mock treatment -1.0 -0.871 -1.24 -0.522 -0.451 -0.89 -0.662 -0.611938564026647 -1.1786103077099 -1.9087 -0.9906 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C17 compound treatment -0.121 0.00841 0.01 -0.102 -0.0306 -0.06 -0.125 -0.074938564026647 -0.144333711256246 -0.1113 -0.7092 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C18 compound treatment -0.962 -0.833 -1.18 -0.333 -0.262 -0.52 0.137 0.187061435973353 0.360285410290972 -0.7736 -0.577 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C19 compound treatment -0.5 -0.371 -0.53 -0.738 -0.667 -1.32 -0.859 -0.808938564026647 -1.55803766246105 -1.9636 -0.9322 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C20 compound treatment -0.819 -0.69 -0.98 0.194 0.265 0.52 -0.47 -0.419938564026647 -0.808813088866133 -0.7304 -0.5313 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C21 compound treatment -0.208 -0.0786 -0.11 -0.467 -0.396 -0.78 -0.394 -0.343938564026647 -0.66243502307381 -0.8979 -0.8716 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C22 compound treatment 0.62 0.749 1.07 0.551 0.622 1.23 0.731 0.781061435973353 1.50434555608886 2.1933 0.9899 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C23 compound treatment -0.927 -0.798 -1.13 -1.75 -1.68 -3.31 -2.417 -2.36693856402665 -4.55878801120367 -5.2003 -0.9045 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 C24 compound treatment -0.257 -0.128 -0.18 0.057 0.128 0.25 0.466 0.516061435973353 0.993948352997211 0.6155 0.5909 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D01 compound treatment 0.712 0.841 1.2 0.163 0.234 0.46 0.086 0.136061435973353 0.262058024035597 1.1092 0.8472 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D02 compound treatment 1.037 1.17 1.63 1.254 1.33 2.33 1.029 1.07906143597335 2.04978503368884 3.4717 0.9897 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D03 compound treatment -0.34 -0.211 -0.3 0.0 0.0714 0.14 0.316 0.366061435973353 0.705044275775521 0.3156 0.4052 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D04 compound treatment 0.98 1.11 1.58 -0.244 -0.173 -0.34 0.455 0.505061435973353 0.972762054000954 1.2756 0.677 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D05 compound treatment 0.241 0.37 0.53 0.342 0.413 0.82 -0.017 0.033061435973353 0.0636772243433702 0.8121 0.8342 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D06 compound treatment -0.166 -0.0366 -0.05 -0.5 -0.429 -0.85 -0.316 -0.265938564026647 -0.512204902918531 -0.8143 -0.8221 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D07 compound treatment -0.137 -0.00759 -0.01 0.013 0.0844 0.17 0.181 0.231061435973353 0.445030606276001 0.347 0.7299 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D08 compound treatment -0.23 -0.101 -0.14 0.246 0.317 0.63 0.133 0.183061435973353 0.35258130156506 0.4829 0.6585 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D09 compound treatment 0.016 0.145 0.21 -0.187 -0.116 -0.23 -0.25 -0.199938564026647 -0.385087108940988 -0.2347 -0.476 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D10 compound treatment -0.019 0.11 0.16 0.0 0.0714 0.14 -0.164 -0.113938564026647 -0.219448771333886 0.0454 0.149 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D11 mock treatment -0.426 -0.297 -0.42 -0.765 -0.694 -1.37 -0.614 -0.563938564026647 -1.08616100299896 -1.6612 -0.9239 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D12 mock treatment 0.1 0.229 0.33 -0.357 -0.286 -0.56 -0.095 -0.044938564026647 -0.0865528958119085 -0.1872 -0.2849 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D13 compound treatment -0.17 -0.0406 -0.06 -0.137 -0.0656 -0.13 0.082 0.132061435973353 0.254353915309685 0.0388 0.1332 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D14 compound treatment -0.292 -0.163 -0.23 -0.467 -0.396 -0.78 -0.441 -0.390938564026647 -0.752958300603273 -1.0191 -0.9188 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D15 mock treatment -0.422 -0.293 -0.42 -0.108 -0.0366 -0.07 0.088 0.138061435973353 0.265910078398553 -0.1283 -0.2572 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D16 mock treatment -0.426 -0.297 -0.42 -0.272 -0.201 -0.4 -0.278 -0.227938564026647 -0.43901587002237 -0.7256 -0.9991 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D17 compound treatment -0.431 -0.302 -0.43 -0.4 -0.329 -0.65 -0.131 -0.080938564026647 -0.155889874345114 -0.7121 -0.8979 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D18 compound treatment -0.618 -0.489 -0.69 -0.872 -0.801 -1.58 -0.348 -0.297938564026647 -0.573837772725825 -1.645 -0.9041 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D19 compound treatment -0.346 -0.217 -0.31 -0.532 -0.461 -0.91 -0.245 -0.194938564026647 -0.375456973033598 -0.9196 -0.892 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D20 compound treatment -0.435 -0.306 -0.43 0.0 0.0714 0.14 -0.141 -0.090938564026647 -0.175150146159893 -0.2705 -0.553 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D21 compound treatment 0.323 0.452 0.64 -0.125 -0.0536 -0.11 0.027 0.077061435973353 0.148422420328399 0.396 0.5923 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D22 compound treatment 0.018 0.147 0.21 0.257 0.328 0.65 0.563 0.613061435973353 1.18077298960057 1.1771 0.8634 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D23 compound treatment -0.5 -0.371 -0.53 -0.175 -0.104 -0.2 -0.194 -0.143938564026647 -0.277229586778224 -0.5823 -0.925 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 D24 compound treatment -0.419 -0.29 -0.41 -0.075 -0.00356 -0.01 -0.219 -0.168938564026647 -0.325380266315172 -0.4296 -0.8186 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E01 mock treatment -0.797 -0.668 -0.95 0.057 0.128 0.25 0.234 0.284061435973353 0.547110046894331 -0.0857 -0.0762 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E02 mock treatment -0.206 -0.0766 -0.11 -0.417 -0.346 -0.68 -0.057 -0.00693856402664701 -0.0133638629157471 -0.4645 -0.6722 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E03 compound treatment -0.623 -0.494 -0.7 -0.454 -0.383 -0.76 -0.316 -0.265938564026647 -0.512204902918531 -1.137 -0.9876 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E04 compound treatment -0.427 -0.298 -0.42 0.513 0.584 1.15 -0.2 -0.149938564026647 -0.288785749867091 0.2552 0.2022 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E05 compound treatment -0.903 -0.774 -1.1 -0.864 -0.793 -1.56 -0.802 -0.751938564026647 -1.44825411311681 -2.3747 -0.9898 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E06 compound treatment -1.833 -1.7 -2.42 -1.196 -1.12 -2.22 -1.083 -1.03293856402665 -1.9894677511121 -3.829 -0.9968 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E07 compound treatment 3.059 3.19 2.31 2.78 2.85 3.07 0.978 1.02806143597335 1.98007426991391 4.2489 0.9831 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E08 compound treatment 0.1 0.229 0.33 -0.547 -0.476 -0.94 -0.227 -0.176938564026647 -0.340788483766996 -0.5506 -0.5239 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E09 mock treatment -0.087 0.0424 0.06 0.0 0.0714 0.14 -0.082 -0.031938564026647 -0.0615145424526954 0.0807 0.4885 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E10 mock treatment -0.333 -0.204 -0.29 -0.275 -0.204 -0.4 -0.341 -0.290938564026647 -0.56035558245548 -0.7227 -0.9663 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E11 compound treatment -0.532 -0.403 -0.57 -0.553 -0.482 -0.95 -1.094 -1.04393856402665 -2.01065405010836 -2.0403 -0.8884 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E12 compound treatment -0.816 -0.687 -0.98 -0.638 -0.567 -1.12 -0.5 -0.449938564026647 -0.866593904310471 -1.7098 -0.9946 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E13 compound treatment -0.733 -0.604 -0.86 -0.107 -0.0356 -0.07 -0.046 0.004061435973353 0.00782243608051015 -0.5315 -0.6172 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E14 compound treatment -0.132 -0.00259 0.0 0.175 0.246 0.49 -0.081 -0.030938564026647 -0.0595885152712175 0.2444 0.4985 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E15 compound treatment -0.213 -0.0836 -0.12 -0.004 0.0674 0.13 0.079 0.129061435973353 0.248575833765252 0.1518 0.496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E16 compound treatment -0.367 -0.238 -0.34 -0.188 -0.117 -0.23 -0.202 -0.151938564026647 -0.292637804230047 -0.4969 -0.9884 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E17 mock treatment -0.333 -0.204 -0.29 -0.758 -0.687 -1.36 -0.219 -0.168938564026647 -0.325380266315172 -1.1377 -0.799 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E18 mock treatment -0.105 0.0244 0.03 -0.102 -0.0306 -0.06 -0.019 0.031061435973353 0.0598251699804143 0.0197 0.215 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E19 compound treatment 0.53 0.659 0.94 0.313 0.384 0.76 -0.329 -0.278938564026647 -0.537243256277745 0.6694 0.5069 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E20 compound treatment -0.068 0.0614 0.09 -0.024 0.0474 0.09 -0.105 -0.054938564026647 -0.105813167626688 0.0434 0.2612 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E21 compound treatment 0.078 0.207 0.29 -0.151 -0.0796 -0.16 0.197 0.247061435973353 0.475847041179648 0.3543 0.6093 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E22 compound treatment -0.235 -0.106 -0.15 -0.423 -0.352 -0.69 -0.39 -0.339938564026647 -0.654730914347898 -0.8655 -0.896 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E23 compound treatment -1.115 -0.986 -1.4 -0.817 -0.746 -1.47 -0.884 -0.833938564026647 -1.606188341998 -2.5863 -0.9984 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 E24 compound treatment -0.739 -0.61 -0.87 -0.741 -0.67 -1.32 -0.958 -0.907938564026647 -1.74871435342736 -2.2733 -0.9644 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F01 mock treatment -0.262 -0.133 -0.19 -0.4 -0.329 -0.65 -0.299 -0.248938564026647 -0.479462440833407 -0.7602 -0.9177 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F02 mock treatment -0.279 -0.15 -0.21 -0.339 -0.268 -0.53 0.038 0.088061435973353 0.169608719324656 -0.3299 -0.5552 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F03 compound treatment -0.132 -0.00259 0.0 -0.435 -0.364 -0.72 -0.463 -0.412938564026647 -0.795330898595787 -0.8758 -0.8174 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F04 compound treatment 0.318 0.447 0.64 0.258 0.329 0.65 0.352 0.402061435973353 0.774381254308727 1.1899 0.9959 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F05 compound treatment -0.638 -0.509 -0.72 0.207 0.278 0.55 0.0 0.050061435973353 0.096419686428495 -0.0444 -0.0486 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F06 compound treatment -0.341 -0.212 -0.3 0.225 0.296 0.59 -0.443 -0.392938564026647 -0.756810354966229 -0.2727 -0.2719 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F07 compound treatment -0.127 0.00241 0.0 -0.04 0.0314 0.06 0.093 0.143061435973353 0.275540214305943 0.1969 0.6971 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F08 compound treatment -0.615 -0.486 -0.69 -0.222 -0.151 -0.3 -0.229 -0.178938564026647 -0.344640538129951 -0.7692 -0.9302 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F09 mock treatment -0.662 -0.533 -0.76 -0.259 -0.188 -0.37 0.349 0.399061435973353 0.768603172764293 -0.2073 -0.1817 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F10 mock treatment -0.129 4.09E-4 0.0 -0.23 -0.159 -0.31 -0.481 -0.430938564026647 -0.82999938786239 -0.6596 -0.7436 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F11 compound treatment 0.053 0.182 0.26 -0.34 -0.269 -0.53 -0.965 -0.914938564026647 -1.76219654369771 -1.1738 -0.6316 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F12 compound treatment -0.049 0.0804 0.11 -1.101 -1.03 -2.03 -1.23 -1.17993856402665 -2.27259374678936 -2.4198 -0.793 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F13 compound treatment -0.21 -0.0806 -0.11 0.059 0.13 0.26 0.314 0.364061435973353 0.701192221412566 0.4874 0.6449 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F14 compound treatment 0.071 0.2 0.28 0.349 0.42 0.83 -0.085 -0.034938564026647 -0.0672926239971292 0.605 0.6872 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F15 compound treatment -0.64 -0.511 -0.73 -0.048 0.0234 0.05 -0.132 -0.081938564026647 -0.157815901526592 -0.4835 -0.6496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F16 compound treatment 0.117 0.246 0.35 -0.164 -0.0926 -0.18 -0.054 -0.003938564026647 -0.0075857813713133 0.0924 0.2337 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F17 mock treatment -0.404 -0.275 -0.39 -0.123 -0.0516 -0.1 -0.373 -0.322938564026647 -0.621988452262774 -0.6433 -0.8677 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F18 mock treatment -0.382 -0.253 -0.36 -0.011 0.0604 0.12 -0.366 -0.315938564026647 -0.608506261992428 -0.4898 -0.6835 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F19 compound treatment 0.446 0.575 0.82 1.041 1.11 2.15 0.796 0.846061435973353 1.62953732288493 2.6569 0.9414 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F20 compound treatment 0.418 0.547 0.78 0.283 0.354 0.7 0.456 0.506061435973353 0.974688081182432 1.4161 0.9902 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F21 compound treatment -0.413 -0.284 -0.4 -0.544 -0.473 -0.93 -0.4 -0.349938564026647 -0.673991186162678 -1.1606 -0.9516 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F22 compound treatment -0.187 -0.0576 -0.08 -0.167 -0.0956 -0.19 -0.359 -0.308938564026647 -0.595024071722082 -0.4998 -0.7938 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F23 compound treatment -0.472 -0.343 -0.49 -0.277 -0.206 -0.41 -0.487 -0.436938564026647 -0.841555550951258 -1.0014 -0.9504 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 F24 compound treatment 0.058 0.187 0.27 -1.156 -1.08 -2.14 -1.301 -1.25093856402665 -2.40934167667429 -2.4736 -0.7648 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G01 compound treatment -0.552 -0.423 -0.6 -0.005 0.0664 0.13 -0.492 -0.441938564026647 -0.851185686858647 -0.7626 -0.7262 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G02 compound treatment -0.226 -0.0966 -0.14 -0.031 0.0404 0.08 -0.2 -0.149938564026647 -0.288785749867091 -0.1999 -0.6066 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G03 mock treatment -0.681 -0.552 -0.78 0.302 0.373 0.74 -0.377 -0.326938564026647 -0.629692560988685 -0.3906 -0.3132 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G04 mock treatment -0.875 -0.746 -1.06 0.208 0.279 0.55 -0.469 -0.418938564026647 -0.806887061684655 -0.7593 -0.5266 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G05 compound treatment -0.439 -0.31 -0.44 -0.246 -0.175 -0.34 -0.311 -0.260938564026647 -0.502574767011142 -0.7433 -0.9887 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G06 compound treatment -0.614 -0.485 -0.69 -0.429 -0.358 -0.71 -0.244 -0.193938564026647 -0.37353094585212 -1.0211 -0.968 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G07 compound treatment 0.21 0.339 0.48 0.339 0.41 0.81 0.676 0.726061435973353 1.39841406110758 1.5539 0.9212 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G08 compound treatment 0.343 0.472 0.67 -0.027 0.0444 0.09 0.2 0.250061435973353 0.481625122724081 0.7165 0.8621 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G09 compound treatment 0.0 0.129 0.18 -0.581 -0.51 -1.01 -0.371 -0.320938564026647 -0.618136397899818 -0.8315 -0.6958 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G10 compound treatment -0.102 0.0274 0.04 -0.494 -0.423 -0.83 -0.816 -0.765938564026647 -1.4752184936575 -1.3109 -0.7733 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G11 compound treatment 0.655 0.784 1.12 0.439 0.51 1.01 0.299 0.349061435973353 0.672301813690397 1.6139 0.9801 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G12 compound treatment 0.424 0.553 0.79 -1.0 -0.929 -1.83 -0.534 -0.483938564026647 -0.932078828480721 -1.1424 -0.5188 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G13 compound treatment -0.934 -0.805 -1.14 -0.662 -0.591 -1.17 -0.441 -0.390938564026647 -0.752958300603273 -1.7684 -0.9832 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G14 compound treatment -0.557 -0.428 -0.61 -0.321 -0.25 -0.49 -0.213 -0.162938564026647 -0.313824103226304 -0.8167 -0.9686 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G15 compound treatment 0.085 0.214 0.3 -0.094 -0.0226 -0.04 -0.043 0.007061435973353 0.013600517624944 0.1581 0.5128 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G16 compound treatment -0.651 -0.522 -0.74 -0.16 -0.0886 -0.17 -0.172 -0.121938564026647 -0.234856988785709 -0.6647 -0.8337 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G17 compound treatment -0.887 -0.758 -1.08 -0.609 -0.538 -1.06 -0.55 -0.499938564026647 -0.962895263384367 -1.7906 -0.9988 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G18 compound treatment -0.297 -0.168 -0.24 0.117 0.188 0.37 0.178 0.228061435973353 0.439252524731567 0.3308 0.531 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G19 mock treatment -0.506 -0.377 -0.54 -0.317 -0.246 -0.48 -0.215 -0.164938564026647 -0.31767615758926 -0.7725 -0.9789 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G20 mock treatment -0.431 -0.302 -0.43 -0.569 -0.498 -0.98 -0.373 -0.322938564026647 -0.621988452262774 -1.1739 -0.9472 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G21 compound treatment -0.077 0.0524 0.07 -0.456 -0.385 -0.76 -0.534 -0.483938564026647 -0.932078828480721 -0.9335 -0.775 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G22 compound treatment -0.424 -0.295 -0.42 -0.878 -0.807 -1.59 -1.013 -0.962938564026647 -1.85464584840865 -2.2321 -0.9 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G23 compound treatment 0.362 0.491 0.7 -0.373 -0.302 -0.6 -0.467 -0.416938564026647 -0.803035007321699 -0.404 -0.3313 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 G24 compound treatment -0.234 -0.105 -0.15 -0.311 -0.24 -0.47 -0.486 -0.435938564026647 -0.83962952376978 -0.8437 -0.8652 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H01 compound treatment -0.239 -0.11 -0.16 -0.141 -0.0696 -0.14 0.067 0.117061435973353 0.225463507587516 -0.0391 -0.1275 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H02 compound treatment -0.222 -0.0926 -0.13 -0.054 0.0174 0.03 -0.114 -0.063938564026647 -0.123147412259989 -0.1272 -0.6932 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H03 mock treatment -0.477 -0.348 -0.49 -0.373 -0.302 -0.6 -0.161 -0.110938564026647 -0.213670689789452 -0.7525 -0.9373 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H04 mock treatment -0.244 -0.115 -0.16 -0.216 -0.145 -0.29 -0.333 -0.282938564026647 -0.544947365003656 -0.5735 -0.9012 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H05 compound treatment -0.556 -0.427 -0.61 -0.585 -0.514 -1.01 -0.377 -0.326938564026647 -0.629692560988685 -1.2992 -0.9703 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H06 compound treatment 0.112 0.241 0.34 -0.494 -0.423 -0.83 -0.138 -0.087938564026647 -0.16937206461546 -0.3813 -0.4154 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H07 compound treatment 0.164 0.293 0.42 -0.154 -0.0826 -0.16 0.319 0.369061435973353 0.710822357319955 0.5571 0.6631 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H08 compound treatment -0.179 -0.0496 -0.07 0.085 0.156 0.31 0.066 0.116061435973353 0.223537480406039 0.2667 0.6878 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H09 compound treatment 0.343 0.472 0.67 0.171 0.242 0.48 0.316 0.366061435973353 0.705044275775521 1.0712 0.9872 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H10 compound treatment -0.373 -0.244 -0.35 -0.413 -0.342 -0.67 -0.122 -0.071938564026647 -0.138555629711813 -0.6693 -0.8685 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H11 compound treatment -0.431 -0.302 -0.43 -0.395 -0.324 -0.64 -0.072 -0.021938564026647 -0.0422542706379161 -0.6408 -0.8316 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H12 compound treatment -0.237 -0.108 -0.15 -0.534 -0.463 -0.91 -0.243 -0.192938564026647 -0.371604918670642 -0.8302 -0.832 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H13 compound treatment -0.319 -0.19 -0.27 0.041 0.112 0.22 0.197 0.247061435973353 0.475847041179648 0.2473 0.4189 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H14 compound treatment 0.111 0.24 0.34 0.878 0.949 1.87 0.662 0.712061435973353 1.37144968056689 2.0715 0.8823 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H15 compound treatment -0.489 -0.36 -0.51 -0.06 0.0114 0.02 0.107 0.157061435973353 0.302504594846634 -0.1075 -0.1808 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H16 compound treatment -0.292 -0.163 -0.23 -0.462 -0.391 -0.77 -0.286 -0.235938564026647 -0.454424087474193 -0.8411 -0.9098 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H17 compound treatment -0.246 -0.117 -0.17 -0.269 -0.198 -0.39 -0.197 -0.146938564026647 -0.283007668322658 -0.4843 -0.9503 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H18 compound treatment 0.217 0.346 0.49 -0.59 -0.519 -1.02 0.121 0.171061435973353 0.329468975387325 -0.1166 -0.0985 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H19 mock treatment 0.0 0.129 0.18 -0.06 0.0114 0.02 -0.146 -0.095938564026647 -0.184780282067283 0.0126 0.0481 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H20 mock treatment -0.406 -0.277 -0.39 -0.148 -0.0766 -0.15 -0.101 -0.050938564026647 -0.0981090589007761 -0.371 -0.8576 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H21 compound treatment 0.213 0.342 0.49 -0.021 0.0504 0.1 0.466 0.516061435973353 0.993948352997211 0.9124 0.8211 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H22 compound treatment 0.66 0.789 1.12 0.423 0.494 0.98 0.781 0.831061435973353 1.60064691516276 2.1358 0.9774 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H23 compound treatment -0.577 -0.448 -0.64 -0.329 -0.258 -0.51 -0.571 -0.520938564026647 -1.0033418341954 -1.2403 -0.9597 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 H24 compound treatment -0.38 -0.251 -0.36 -0.049 0.0224 0.04 0.259 0.309061435973353 0.595260726431279 0.1636 0.2353 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I01 compound treatment 0.456 0.585 0.83 0.709 0.78 1.54 1.169 1.21906143597335 2.17229253732238 2.6244 0.9405 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I02 compound treatment 0.169 0.298 0.42 -0.065 0.00644 0.01 0.213 0.263061435973353 0.506663476083294 0.5448 0.8243 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I03 compound treatment -1.071 -0.942 -1.34 -1.305 -1.23 -2.44 -0.974 -0.923938564026647 -1.77953078833101 -3.2066 -0.9716 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I04 compound treatment 0.161 0.29 0.41 0.581 0.652 1.29 0.318 0.368061435973353 0.708896330138477 1.3914 0.9111 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I05 mock treatment 0.067 0.196 0.28 0.175 0.246 0.49 -0.227 -0.176938564026647 -0.340788483766996 0.2454 0.3739 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I06 mock treatment 0.265 0.394 0.56 -0.178 -0.107 -0.21 -0.167 -0.116938564026647 -0.22522685287832 0.0722 0.1129 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I07 compound treatment -0.475 -0.346 -0.49 -0.419 -0.348 -0.69 -0.048 0.002061435973353 0.00397038171755429 -0.6776 -0.8028 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I08 compound treatment 0.027 0.156 0.22 -0.061 0.0104 0.02 -0.203 -0.152938564026647 -0.294563831411525 -0.0298 -0.0806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I09 compound treatment 0.108 0.237 0.34 -1.132 -1.06 -2.09 -0.304 -0.253938564026647 -0.489092576740796 -1.2965 -0.5956 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I10 compound treatment -0.579 -0.45 -0.64 -0.291 -0.22 -0.43 -0.427 -0.376938564026647 -0.725993920062582 -1.0385 -0.9797 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I11 compound treatment -1.4 -1.27 -1.81 4.152 4.22 3.39 3.331 3.38106143597335 3.11992249866033 2.7146 0.5487 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I12 compound treatment -0.864 -0.735 -1.04 -0.458 -0.387 -0.76 -0.463 -0.412938564026647 -0.795330898595787 -1.5029 -0.9897 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I13 compound treatment 0.024 0.153 0.22 -0.185 -0.114 -0.22 -0.094 -0.043938564026647 -0.0846268686304306 -0.0524 -0.1617 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I14 compound treatment 0.169 0.298 0.42 -0.07 0.00144 0.0 0.197 0.247061435973353 0.475847041179648 0.5213 0.8177 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I15 compound treatment -0.382 -0.253 -0.36 -0.203 -0.132 -0.26 0.107 0.157061435973353 0.302504594846634 -0.1827 -0.3404 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I16 compound treatment -0.324 -0.195 -0.28 -0.033 0.0384 0.08 -0.427 -0.376938564026647 -0.725993920062582 -0.5351 -0.6854 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I17 compound treatment -0.015 0.114 0.16 -0.15 -0.0786 -0.16 0.101 0.151061435973353 0.290948431757766 0.1723 0.4687 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I18 compound treatment 1.966 2.1 2.05 0.465 0.536 1.06 1.168 1.21806143597335 2.17146893968173 3.046 0.9623 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I19 compound treatment -0.254 -0.125 -0.18 -0.143 -0.0716 -0.14 -0.094 -0.043938564026647 -0.0846268686304306 -0.2327 -0.9621 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I20 compound treatment 0.123 0.252 0.36 -0.082 -0.0106 -0.02 0.028 0.078061435973353 0.150348447509877 0.282 0.7236 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I21 mock treatment -0.185 -0.0556 -0.08 -0.056 0.0154 0.03 0.0 0.050061435973353 0.096419686428495 0.0276 0.2153 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I22 mock treatment -0.421 -0.292 -0.41 -0.604 -0.533 -1.05 -0.513 -0.462938564026647 -0.891632257669684 -1.3613 -0.9455 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I23 compound treatment 6.152 6.28 2.66 0.234 0.305 0.6 0.039 0.089061435973353 0.171534746506134 1.9816 0.7257 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 I24 compound treatment -0.486 -0.357 -0.51 -0.417 -0.346 -0.68 -0.418 -0.367938564026647 -0.70865967542928 -1.0958 -0.9901 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J01 compound treatment -0.066 0.0634 0.09 -0.242 -0.171 -0.34 -0.2 -0.149938564026647 -0.288785749867091 -0.3091 -0.6828 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J02 compound treatment -0.292 -0.163 -0.23 -0.046 0.0254 0.05 -0.14 -0.089938564026647 -0.173224118978415 -0.2045 -0.6974 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J03 compound treatment -0.495 -0.366 -0.52 -0.09 -0.0186 -0.04 -0.135 -0.084938564026647 -0.163593983071026 -0.4157 -0.7612 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J04 compound treatment -0.039 0.0904 0.13 -0.082 -0.0106 -0.02 -0.229 -0.178938564026647 -0.344640538129951 -0.1368 -0.3713 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J05 mock treatment -0.286 -0.157 -0.22 -0.196 -0.125 -0.25 -0.254 -0.203938564026647 -0.3927912176669 -0.4973 -0.9673 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J06 mock treatment -0.134 -0.00459 -0.01 0.104 0.175 0.35 0.037 0.087061435973353 0.167682692143178 0.293 0.7613 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J07 compound treatment 0.632 0.761 1.08 0.745 0.816 1.61 0.747 0.797061435973353 1.53516199099251 2.4421 0.9866 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J08 compound treatment -0.172 -0.0426 -0.06 0.018 0.0894 0.18 0.031 0.081061435973353 0.156126529054311 0.1571 0.6457 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J09 compound treatment -0.013 0.116 0.17 0.304 0.375 0.74 -0.052 -0.001938564026647 -0.00373372700835743 0.5214 0.6864 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J10 compound treatment -0.095 0.0344 0.05 -0.065 0.00644 0.01 -0.04 0.010061435973353 0.0193785991693777 0.0468 0.864 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J11 compound treatment 0.52 0.649 0.92 -0.336 -0.265 -0.52 -0.48 -0.429938564026647 -0.828073360680912 -0.2466 -0.1832 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J12 compound treatment 0.061 0.19 0.27 -1.254 -1.18 -2.33 -1.606 -1.55593856402665 -2.99677996702506 -2.922 -0.7672 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J13 compound treatment -0.065 0.0644 0.09 0.179 0.25 0.49 0.18 0.230061435973353 0.443104579094523 0.5942 0.8865 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J14 compound treatment -0.208 -0.0786 -0.11 -0.062 0.00944 0.02 -0.221 -0.170938564026647 -0.329232320678128 -0.2438 -0.7003 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J15 compound treatment 0.862 0.991 1.41 0.838 0.909 1.8 1.189 1.23906143597335 2.18862000529904 3.1142 0.9847 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J16 compound treatment -0.709 -0.58 -0.82 -0.032 0.0394 0.08 0.443 0.493061435973353 0.949649727823219 0.1175 0.0933 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J17 compound treatment -0.448 -0.319 -0.45 0.017 0.0884 0.17 0.059 0.109061435973353 0.210055290135693 -0.0394 -0.0745 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J18 compound treatment 0.301 0.43 0.61 0.031 0.102 0.2 0.116 0.166061435973353 0.319838839479935 0.6547 0.91 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J19 compound treatment 0.036 0.165 0.24 0.148 0.219 0.43 0.014 0.064061435973353 0.123384066969186 0.4572 0.8996 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J20 compound treatment -0.169 -0.0396 -0.06 -0.475 -0.404 -0.8 -0.123 -0.072938564026647 -0.140481656893291 -0.5737 -0.7073 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J21 mock treatment 0.247 0.376 0.54 -0.017 0.0544 0.11 -0.118 -0.067938564026647 -0.130851520985901 0.2955 0.5264 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J22 mock treatment 0.027 0.156 0.22 -0.238 -0.167 -0.33 -0.319 -0.268938564026647 -0.517982984462965 -0.3605 -0.5525 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J23 compound treatment -0.049 0.0804 0.11 -0.5 -0.429 -0.85 -1.147 -1.09693856402665 -2.11273349072669 -1.6423 -0.7207 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 J24 compound treatment 0.254 0.383 0.55 -0.492 -0.421 -0.83 -0.9 -0.849938564026647 -1.63700477690164 -1.1098 -0.5796 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K01 compound treatment 0.259 0.388 0.55 -1.641 -1.57 -3.1 -0.576 -0.525938564026647 -1.01297197010279 -2.0553 -0.6215 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K02 compound treatment -0.367 -0.238 -0.34 0.0 0.0714 0.14 -0.227 -0.176938564026647 -0.340788483766996 -0.3103 -0.6205 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K03 compound treatment -0.112 0.0174 0.02 -0.062 0.00944 0.02 -0.214 -0.163938564026647 -0.315750130407782 -0.1572 -0.4956 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K04 compound treatment -0.123 0.00641 0.01 0.127 0.198 0.39 -0.159 -0.108938564026647 -0.209818635426496 0.1103 0.2482 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K05 compound treatment -0.545 -0.416 -0.59 -0.381 -0.31 -0.61 0.152 0.202061435973353 0.389175818013141 -0.4694 -0.502 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K06 compound treatment 0.173 0.302 0.43 -0.155 -0.0836 -0.16 -0.16 -0.109938564026647 -0.211744662607974 0.0307 0.0606 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K07 mock treatment -0.295 -0.166 -0.24 -0.176 -0.105 -0.21 0.0 0.050061435973353 0.096419686428495 -0.1995 -0.6088 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K08 mock treatment -0.065 0.0644 0.09 -0.306 -0.235 -0.46 -0.597 -0.546938564026647 -1.05341854091383 -0.8227 -0.7127 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K09 compound treatment 0.358 0.487 0.69 0.121 0.192 0.38 0.208 0.258061435973353 0.497033340175905 0.9064 0.9709 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K10 compound treatment -0.274 -0.145 -0.21 -0.347 -0.276 -0.54 -0.392 -0.341938564026647 -0.658582968710854 -0.8131 -0.9253 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K11 compound treatment -0.197 -0.0676 -0.1 0.316 0.387 0.77 -0.218 -0.167938564026647 -0.323454239133694 0.1994 0.2385 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K12 compound treatment -0.218 -0.0886 -0.13 0.951 1.02 2.02 0.917 0.967061435973353 1.86258661184376 2.1682 0.7885 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K13 compound treatment -0.098 0.0314 0.04 -0.358 -0.287 -0.57 -0.297 -0.246938564026647 -0.475610386470451 -0.5755 -0.7772 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K14 compound treatment -0.283 -0.154 -0.22 0.187 0.258 0.51 0.026 0.076061435973353 0.146496393146921 0.2531 0.4409 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K15 mock treatment -0.381 -0.252 -0.36 0.079 0.15 0.3 -0.123 -0.072938564026647 -0.140481656893291 -0.1161 -0.2391 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K16 mock treatment -0.282 -0.153 -0.22 -0.048 0.0234 0.05 -0.078 -0.027938564026647 -0.0538104337267837 -0.1296 -0.5678 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K17 compound treatment -0.2 -0.0706 -0.1 -0.03 0.0414 0.08 0.194 0.244061435973353 0.470068959635214 0.2607 0.5347 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K18 compound treatment -0.118 0.0114 0.02 0.254 0.325 0.64 0.373 0.423061435973353 0.814827825119764 0.8508 0.8198 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K19 compound treatment -0.494 -0.365 -0.52 0.318 0.389 0.77 -0.144 -0.093938564026647 -0.180928227704327 0.0402 0.0426 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K20 compound treatment -0.19 -0.0606 -0.09 0.256 0.327 0.65 0.37 0.420061435973353 0.80904974357533 0.7906 0.7608 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K21 compound treatment 0.167 0.296 0.42 -0.156 -0.0846 -0.17 -0.081 -0.030938564026647 -0.0595885152712175 0.1125 0.2461 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K22 compound treatment -0.234 -0.105 -0.15 -0.583 -0.512 -1.01 -0.895 -0.844938564026647 -1.62737464099425 -1.6086 -0.8373 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K23 mock treatment -0.192 -0.0626 -0.09 -0.727 -0.656 -1.29 -0.961 -0.910938564026647 -1.7544924349718 -1.8117 -0.8302 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 K24 mock treatment 1.436 1.57 1.84 0.219 0.29 0.57 0.324 0.374061435973353 0.720452493227345 1.8111 0.8791 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L01 compound treatment -0.25 -0.121 -0.17 0.068 0.139 0.28 0.232 0.282061435973353 0.543257992531375 0.3736 0.5905 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L02 compound treatment -0.295 -0.166 -0.24 -0.027 0.0444 0.09 -0.068 -0.017938564026647 -0.0345501619120044 -0.1052 -0.4149 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L03 compound treatment 0.0 0.129 0.18 -0.043 0.0284 0.06 -0.273 -0.222938564026647 -0.42938573411498 -0.1093 -0.2322 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L04 compound treatment -0.808 -0.679 -0.96 -0.168 -0.0966 -0.19 0.053 0.103061435973353 0.198499127046825 -0.5525 -0.5507 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L05 compound treatment -0.257 -0.128 -0.18 -0.043 0.0284 0.06 0.033 0.083061435973353 0.159978583417267 0.02 0.0807 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L06 compound treatment -0.2 -0.0706 -0.1 -0.198 -0.127 -0.25 0.388 0.438061435973353 0.843718232841933 0.2849 0.3217 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L07 mock treatment -0.132 -0.00259 0.0 -0.496 -0.425 -0.84 0.036 0.086061435973353 0.165756664961701 -0.3904 -0.4569 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L08 mock treatment -0.53 -0.401 -0.57 -0.306 -0.235 -0.46 -0.194 -0.143938564026647 -0.277229586778224 -0.7563 -0.9638 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L09 compound treatment 0.16 0.289 0.41 -0.071 4.38E-4 0.0 0.014 0.064061435973353 0.123384066969186 0.3093 0.72 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L10 compound treatment -0.31 -0.181 -0.26 0.25 0.321 0.63 -0.282 -0.231938564026647 -0.446719978748282 -0.0397 -0.0486 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L11 compound treatment -0.471 -0.342 -0.49 -0.553 -0.482 -0.95 -0.6 -0.549938564026647 -1.05919662245826 -1.4409 -0.9581 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L12 compound treatment 0.125 0.254 0.36 -0.425 -0.354 -0.7 -0.056 -0.005938564026647 -0.0114378357342692 -0.2008 -0.2554 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L13 compound treatment 0.109 0.238 0.34 -0.068 0.00344 0.01 -0.109 -0.058938564026647 -0.1135172763526 0.1341 0.375 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L14 compound treatment 0.05 0.179 0.26 0.972 1.04 2.06 0.509 0.559061435973353 1.07676752180076 1.9584 0.8374 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L15 mock treatment -0.404 -0.275 -0.39 -0.183 -0.112 -0.22 -0.037 0.013061435973353 0.0251566807138115 -0.3381 -0.753 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L16 mock treatment -0.224 -0.0946 -0.13 -0.009 0.0624 0.12 -0.034 0.016061435973353 0.0309347622582453 0.0114 0.0616 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L17 compound treatment -0.643 -0.514 -0.73 -0.425 -0.354 -0.7 -0.59 -0.539938564026647 -1.03993635064348 -1.4251 -0.9829 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L18 compound treatment 0.0 0.129 0.18 -0.562 -0.491 -0.97 0.188 0.238061435973353 0.458512796546346 -0.1883 -0.1732 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L19 compound treatment 0.053 0.182 0.26 -0.427 -0.356 -0.7 -0.092 -0.041938564026647 -0.0807748142674747 -0.3022 -0.4015 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L20 compound treatment -0.742 -0.613 -0.87 0.186 0.257 0.51 -0.507 -0.456938564026647 -0.880076094580816 -0.7175 -0.5361 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L21 compound treatment -0.036 0.0934 0.13 -0.277 -0.206 -0.41 -0.232 -0.181938564026647 -0.350418619674385 -0.36 -0.6516 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L22 compound treatment -0.821 -0.692 -0.98 -0.847 -0.776 -1.53 -0.278 -0.227938564026647 -0.43901587002237 -1.7053 -0.9109 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L23 mock treatment 0.058 0.187 0.27 -0.161 -0.0896 -0.18 -0.333 -0.282938564026647 -0.544947365003656 -0.2629 -0.4161 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 L24 mock treatment -0.034 0.0954 0.14 -0.234 -0.163 -0.32 -0.197 -0.146938564026647 -0.283007668322658 -0.2704 -0.6023 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M01 compound treatment -0.12 0.00941 0.01 0.098 0.169 0.33 0.115 0.165061435973353 0.317912812298457 0.3844 0.8326 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M02 compound treatment -0.375 -0.246 -0.35 -0.215 -0.144 -0.28 -0.13 -0.079938564026647 -0.153963847163636 -0.4541 -0.9553 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M03 compound treatment -0.329 -0.2 -0.28 -0.213 -0.142 -0.28 -0.061 -0.010938564026647 -0.0210679716416588 -0.3374 -0.8458 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M04 compound treatment -0.633 -0.504 -0.72 0.262 0.333 0.66 0.872 0.922061435973353 1.77591538867725 0.9921 0.4899 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M05 compound treatment -0.319 -0.19 -0.27 -0.067 0.00444 0.01 -0.372 -0.321938564026647 -0.620062425081296 -0.5086 -0.7521 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M06 compound treatment -0.206 -0.0766 -0.11 -0.15 -0.0786 -0.16 0.214 0.264061435973353 0.508589503264772 0.1412 0.2602 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M07 compound treatment 0.359 0.488 0.69 0.048 0.119 0.24 0.141 0.191061435973353 0.367989519016883 0.7495 0.9135 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M08 compound treatment 0.031 0.16 0.23 0.061 0.132 0.26 0.413 0.463061435973353 0.891868912378881 0.7976 0.8334 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M09 mock treatment -0.137 -0.00759 -0.01 -0.103 -0.0316 -0.06 -0.068 -0.017938564026647 -0.0345501619120044 -0.0622 -0.8625 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M10 mock treatment -0.232 -0.103 -0.15 -0.06 0.0114 0.02 -0.185 -0.134938564026647 -0.259895342144922 -0.2212 -0.7402 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M11 compound treatment 0.065 0.194 0.28 -0.169 -0.0976 -0.19 -0.48 -0.429938564026647 -0.828073360680912 -0.4297 -0.4807 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M12 compound treatment -0.457 -0.328 -0.47 -0.1 -0.0286 -0.06 0.043 0.093061435973353 0.179238855232046 -0.198 -0.3942 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M13 mock treatment -0.169 -0.0396 -0.06 -0.077 -0.00556 -0.01 -0.115 -0.064938564026647 -0.125073439441467 -0.1111 -0.8071 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M14 mock treatment -0.13 -5.91E-4 0.0 -0.31 -0.239 -0.47 -0.24 -0.189938564026647 -0.365826837126209 -0.4837 -0.8109 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M15 compound treatment 0.465 0.594 0.85 0.727 0.798 1.58 0.81 0.860061435973353 1.65650170342562 2.3545 0.9658 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M16 compound treatment 0.603 0.732 1.04 1.356 1.43 2.41 1.293 1.34306143597335 2.26932010069468 3.3025 0.9518 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M17 compound treatment -0.783 -0.654 -0.93 -0.131 -0.0596 -0.12 -0.149 -0.098938564026647 -0.190558363611717 -0.7144 -0.7474 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M18 compound treatment 0.275 0.404 0.57 -0.218 -0.147 -0.29 0.044 0.094061435973353 0.181164882413524 0.2695 0.403 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M19 compound treatment -0.125 0.00441 0.01 -0.063 0.00844 0.02 -0.169 -0.118938564026647 -0.229078907241275 -0.119 -0.518 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M20 compound treatment -0.086 0.0434 0.06 -0.083 -0.0116 -0.02 -0.037 0.013061435973353 0.0251566807138115 0.037 0.5249 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M21 compound treatment 0.0 0.129 0.18 -0.018 0.0534 0.11 0.08 0.130061435973353 0.25050186094673 0.3118 0.9499 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M22 compound treatment -0.447 -0.318 -0.45 -0.279 -0.208 -0.41 -0.2 -0.149938564026647 -0.288785749867091 -0.664 -0.9842 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M23 compound treatment -0.302 -0.173 -0.25 0.7 0.771 1.52 0.434 0.484061435973353 0.932315483189917 1.276 0.7079 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 M24 compound treatment 0.214 0.343 0.49 -0.117 -0.0456 -0.09 -0.257 -0.206938564026647 -0.398569299211333 -2.0E-4 -3.0E-4 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N01 compound treatment -0.21 -0.0806 -0.11 -0.286 -0.215 -0.42 -0.246 -0.195938564026647 -0.377383000215076 -0.5286 -0.9133 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N02 compound treatment 0.045 0.174 0.25 0.078 0.149 0.3 0.083 0.133061435973353 0.256279942491163 0.4615 0.997 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N03 compound treatment 0.861 0.99 1.41 0.438 0.509 1.01 0.265 0.315061435973353 0.606816889520147 1.7441 0.9511 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N04 compound treatment -0.382 -0.253 -0.36 -0.455 -0.384 -0.76 -0.239 -0.188938564026647 -0.363900809944731 -0.8547 -0.9354 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N05 compound treatment 0.123 0.252 0.36 0.069 0.14 0.28 0.235 0.285061435973353 0.549036074075809 0.6843 0.9609 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N06 compound treatment -0.6 -0.471 -0.67 -0.184 -0.113 -0.22 -0.358 -0.307938564026647 -0.593098044540605 -0.857 -0.9302 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N07 compound treatment 0.228 0.357 0.51 0.316 0.387 0.77 0.094 0.144061435973353 0.277466241487421 0.8953 0.9331 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N08 compound treatment -0.167 -0.0376 -0.05 0.233 0.304 0.6 -0.13 -0.079938564026647 -0.153963847163636 0.2273 0.365 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N09 mock treatment -0.329 -0.2 -0.28 -0.322 -0.251 -0.49 -0.143 -0.092938564026647 -0.179002200522849 -0.5528 -0.9248 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N10 mock treatment 0.347 0.476 0.68 -0.175 -0.104 -0.2 -0.139 -0.088938564026647 -0.171298091796938 0.1741 0.2392 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N11 compound treatment 0.0 0.129 0.18 -0.528 -0.457 -0.9 -0.636 -0.585938564026647 -1.12853360099147 -1.0658 -0.732 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N12 compound treatment 0.212 0.341 0.49 -0.444 -0.373 -0.74 -0.696 -0.645938564026647 -1.24409523188015 -0.8627 -0.5659 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N13 mock treatment -0.148 -0.0186 -0.03 -0.086 -0.0146 -0.03 0.0 0.050061435973353 0.096419686428495 0.0238 0.2288 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N14 mock treatment -0.4 -0.271 -0.38 -0.328 -0.257 -0.51 -0.356 -0.305938564026647 -0.589245990177649 -0.8548 -0.9858 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N15 compound treatment 0.085 0.214 0.3 0.242 0.313 0.62 0.071 0.121061435973353 0.233167616313428 0.6679 0.9172 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N16 compound treatment -0.295 -0.166 -0.24 -0.19 -0.119 -0.23 0.134 0.184061435973353 0.354507328746538 -0.0664 -0.1367 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N17 compound treatment -0.214 -0.0846 -0.12 0.034 0.105 0.21 -0.217 -0.166938564026647 -0.321528211952216 -0.1349 -0.3359 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N18 compound treatment 0.696 0.825 1.17 0.696 0.767 1.52 0.74 0.790061435973353 1.52167980072216 2.431 0.9934 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N19 compound treatment 0.013 0.142 0.2 0.333 0.404 0.8 0.0 0.050061435973353 0.096419686428495 0.6336 0.7639 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N20 compound treatment -0.263 -0.134 -0.19 -0.267 -0.196 -0.39 -0.045 0.005061435973353 0.00974846326198809 -0.327 -0.7596 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N21 compound treatment -0.618 -0.489 -0.69 -0.155 -0.0836 -0.16 -0.225 -0.174938564026647 -0.33693642940404 -0.6909 -0.8751 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N22 compound treatment -0.162 -0.0326 -0.05 -0.692 -0.621 -1.23 -0.525 -0.474938564026647 -0.914744583847419 -1.2623 -0.8251 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N23 compound treatment -0.283 -0.154 -0.22 -0.603 -0.532 -1.05 -0.84 -0.789938564026647 -1.52144314601297 -1.6105 -0.8653 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 N24 compound treatment 0.134 0.263 0.37 -0.177 -0.106 -0.21 -0.2 -0.149938564026647 -0.288785749867091 -0.0708 -0.1371 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O01 compound treatment -0.305 -0.176 -0.25 -0.217 -0.146 -0.29 -0.206 -0.155938564026647 -0.300341912955959 -0.4835 -0.997 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O02 compound treatment -0.156 -0.0266 -0.04 0.027 0.0984 0.19 -0.09 -0.039938564026647 -0.0769227599045188 0.046 0.2164 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O03 compound treatment -0.726 -0.597 -0.85 -0.045 0.0264 0.05 -0.138 -0.087938564026647 -0.16937206461546 -0.5574 -0.6432 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O04 compound treatment -2.03 -1.9 -2.7 -2.396 -2.32 -4.59 -3.016 -2.96593856402665 -5.71247829290895 -7.5082 -0.9613 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O05 compound treatment -0.687 -0.558 -0.79 -0.492 -0.421 -0.83 -0.246 -0.195938564026647 -0.377383000215076 -1.155 -0.9557 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O06 compound treatment -0.148 -0.0186 -0.03 -0.259 -0.188 -0.37 -0.328 -0.277938564026647 -0.535317229096267 -0.5381 -0.826 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O07 compound treatment -0.507 -0.378 -0.54 -0.412 -0.341 -0.67 -0.032 0.018061435973353 0.0347868166212012 -0.6781 -0.7874 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O08 compound treatment -0.108 0.0214 0.03 -0.024 0.0474 0.09 -0.031 0.019061435973353 0.0367128438026791 0.0928 0.8834 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O09 compound treatment -0.119 0.0104 0.01 -0.05 0.0214 0.04 0.205 0.255061435973353 0.491255258631471 0.3166 0.6418 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O10 compound treatment 0.088 0.217 0.31 0.933 1.0 1.98 0.867 0.917061435973353 1.76628525276986 2.3433 0.8764 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O11 mock treatment 0.014 0.143 0.2 -0.237 -0.166 -0.33 -0.658 -0.607938564026647 -1.17090619898398 -0.747 -0.606 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O12 mock treatment 0.851 0.98 1.39 -0.096 -0.0246 -0.05 -0.147 -0.096938564026647 -0.186706309248761 0.669 0.4754 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O13 compound treatment -0.219 -0.0896 -0.13 -0.282 -0.211 -0.42 0.281 0.331061435973353 0.637633324423794 0.0546 0.0707 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O14 compound treatment 0.694 0.823 1.17 1.11 1.18 2.22 0.921 0.971061435973353 1.87029072056967 3.0351 0.9706 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O15 compound treatment -0.794 -0.665 -0.94 -0.077 -0.00556 -0.01 -0.092 -0.041938564026647 -0.0807748142674747 -0.5985 -0.6311 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O16 compound treatment 0.149 0.278 0.4 0.301 0.372 0.74 0.242 0.292061435973353 0.562518264346154 0.9779 0.9712 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O17 compound treatment -0.655 -0.526 -0.75 -0.937 -0.866 -1.71 -0.683 -0.632938564026647 -1.21905687852093 -2.122 -0.9523 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O18 compound treatment -0.018 0.111 0.16 0.492 0.563 1.11 0.1 0.150061435973353 0.289022404576288 0.9006 0.7762 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O19 compound treatment -0.071 0.0584 0.08 -0.354 -0.283 -0.56 -0.387 -0.336938564026647 -0.648952832803465 -0.6488 -0.7546 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O20 compound treatment 0.279 0.408 0.58 -0.476 -0.405 -0.8 -0.194 -0.143938564026647 -0.277229586778224 -0.286 -0.2788 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O21 compound treatment 0.552 0.681 0.97 0.055 0.126 0.25 -0.133 -0.082938564026647 -0.15974192870807 0.6113 0.6033 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O22 compound treatment -0.466 -0.337 -0.48 -0.307 -0.236 -0.47 -0.287 -0.236938564026647 -0.456350114655671 -0.8083 -0.9998 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O23 compound treatment 0.149 0.278 0.4 -0.571 -0.5 -0.99 -0.592 -0.541938564026647 -1.04378840500644 -0.9436 -0.6334 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 O24 compound treatment 0.094 0.223 0.32 -0.125 -0.0536 -0.11 -0.265 -0.214938564026647 -0.413977516663157 -0.1167 -0.2192 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P01 compound treatment -0.906 -0.777 -1.1 -0.588 -0.517 -1.02 0.0 0.050061435973353 0.096419686428495 -1.1707 -0.7772 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P02 compound treatment -0.262 -0.133 -0.19 -0.394 -0.323 -0.64 -0.185 -0.134938564026647 -0.259895342144922 -0.6266 -0.8785 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P03 compound treatment -0.783 -0.654 -0.93 0.063 0.134 0.27 0.074 0.124061435973353 0.238945697857862 -0.2453 -0.2464 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P04 compound treatment -0.364 -0.235 -0.33 -0.036 0.0354 0.07 0.164 0.214061435973353 0.412288144190876 0.0859 0.1605 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P05 compound treatment -0.268 -0.139 -0.2 -0.06 0.0114 0.02 0.033 0.083061435973353 0.159978583417267 -0.0084 -0.0328 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P06 compound treatment 0.162 0.291 0.41 0.228 0.299 0.59 -0.364 -0.313938564026647 -0.604654207629472 0.2315 0.2458 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P07 compound treatment -0.239 -0.11 -0.16 -0.224 -0.153 -0.3 -0.068 -0.017938564026647 -0.0345501619120044 -0.2838 -0.8326 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P08 compound treatment -0.276 -0.147 -0.21 0.391 0.462 0.91 0.658 0.708061435973353 1.36374557184097 1.1942 0.7218 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P09 compound treatment 0.327 0.456 0.65 -0.545 -0.474 -0.94 -0.417 -0.366938564026647 -0.706733648247802 -0.5732 -0.4279 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P10 compound treatment -1.111 -0.982 -1.4 -0.348 -0.277 -0.55 -0.829 -0.778938564026647 -1.50025684701671 -1.9872 -0.9371 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P11 mock treatment 0.2 0.329 0.47 -0.056 0.0154 0.03 -0.289 -0.238938564026647 -0.460202169018627 0.0223 0.0339 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P12 mock treatment -0.356 -0.227 -0.32 -0.218 -0.147 -0.29 -0.357 -0.306938564026647 -0.591172017359127 -0.6944 -0.9476 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P13 compound treatment -0.02 0.109 0.16 -0.213 -0.142 -0.28 0.045 0.095061435973353 0.183090909595002 0.0341 0.0926 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P14 compound treatment -0.318 -0.189 -0.27 0.284 0.355 0.7 0.019 0.069061435973353 0.133014202876576 0.3272 0.4288 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P15 compound treatment -0.373 -0.244 -0.35 -0.259 -0.188 -0.37 -0.214 -0.163938564026647 -0.315750130407782 -0.5961 -0.9979 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P16 compound treatment -0.266 -0.137 -0.19 -0.623 -0.552 -1.09 0.0 0.050061435973353 0.096419686428495 -0.6852 -0.6171 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P17 compound treatment 0.036 0.165 0.24 -0.177 -0.106 -0.21 -0.063 -0.012938564026647 -0.0249200260046147 0.0011 0.0033 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P18 compound treatment -0.075 0.0544 0.08 0.007 0.0784 0.15 0.451 0.501061435973353 0.965057945275042 0.6913 0.705 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P19 compound treatment 0.024 0.153 0.22 -0.578 -0.507 -1.0 -0.243 -0.192938564026647 -0.371604918670642 -0.6661 -0.6116 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P20 compound treatment 0.909 1.04 1.48 0.642 0.713 1.41 0.694 0.744061435973353 1.43308255037418 2.4931 0.9998 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P21 compound treatment 0.085 0.214 0.3 -0.536 -0.465 -0.92 -0.527 -0.476938564026647 -0.918596638210375 -0.8839 -0.6629 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P22 compound treatment -0.66 -0.531 -0.75 -0.136 -0.0646 -0.13 -0.429 -0.378938564026647 -0.729845974425538 -0.9305 -0.88 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P23 compound treatment 0.109 0.238 0.34 0.163 0.234 0.46 0.12 0.170061435973353 0.327542948205847 0.6521 0.987 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2290 P24 compound treatment -0.456 -0.327 -0.46 -0.062 0.00944 0.02 -0.072 -0.021938564026647 -0.0422542706379161 -0.2817 -0.6037 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A01 compound treatment 0.162 0.291 0.41 -0.019 0.0524 0.1 -0.177 -0.126938564026647 -0.244487124693099 0.1578 0.3207 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A02 compound treatment -0.432 -0.303 -0.43 -0.344 -0.273 -0.54 0.156 0.206061435973353 0.396879926739052 -0.33 -0.415 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A03 compound treatment -0.405 -0.276 -0.39 -0.218 -0.147 -0.29 -0.128 -0.077938564026647 -0.15011179280068 -0.48 -0.9416 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A04 compound treatment 1.145 1.27 1.69 1.921 1.99 2.74 1.876 1.92606143597335 2.62223449779348 4.0742 0.9808 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A05 compound treatment 0.066 0.195 0.28 -0.083 -0.0116 -0.02 0.174 0.224061435973353 0.431548416005655 0.3964 0.7715 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A06 compound treatment 0.247 0.376 0.54 0.316 0.387 0.77 -0.147 -0.096938564026647 -0.186706309248761 0.6429 0.6752 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A07 compound treatment -0.069 0.0604 0.09 0.0 0.0714 0.14 0.087 0.137061435973353 0.263984051217075 0.2834 0.9102 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A08 compound treatment 0.391 0.52 0.74 1.694 1.77 2.62 1.302 1.35206143597335 2.2759908036532 3.2552 0.9169 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A09 compound treatment 0.085 0.214 0.3 -0.019 0.0524 0.1 0.089 0.139061435973353 0.267836105580031 0.3904 0.9322 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A10 compound treatment 0.047 0.176 0.25 -0.47 -0.399 -0.79 -0.395 -0.344938564026647 -0.664361050255288 -0.6931 -0.6539 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A11 compound treatment 0.135 0.264 0.38 0.15 0.221 0.44 0.266 0.316061435973353 0.608742916701625 0.8209 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A12 compound treatment 0.055 0.184 0.26 0.167 0.238 0.47 -0.029 0.021061435973353 0.040564898165635 0.4466 0.8264 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A13 mock treatment 0.141 0.27 0.38 -0.259 -0.188 -0.37 -0.175 -0.124938564026647 -0.240635070330143 -0.1308 -0.2233 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A14 mock treatment -0.486 -0.357 -0.51 -0.328 -0.257 -0.51 -0.08 -0.029938564026647 -0.0576624880897395 -0.6185 -0.8602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A15 compound treatment -0.819 -0.69 -0.98 -0.568 -0.497 -0.98 -0.101 -0.050938564026647 -0.0981090589007761 -1.1888 -0.8552 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A16 compound treatment 0.072 0.201 0.29 0.258 0.329 0.65 0.522 0.572061435973353 1.10180587515998 1.177 0.8977 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A17 compound treatment -0.545 -0.416 -0.59 0.0 0.0714 0.14 -0.07 -0.019938564026647 -0.0384022162749602 -0.2819 -0.4631 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A18 compound treatment 0.101 0.23 0.33 -0.41 -0.339 -0.67 -0.387 -0.336938564026647 -0.648952832803465 -0.5715 -0.5787 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A19 compound treatment -0.116 0.0134 0.02 -0.213 -0.142 -0.28 -0.093 -0.042938564026647 -0.0827008414489526 -0.1981 -0.6782 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A20 compound treatment 0.265 0.394 0.56 0.083 0.154 0.3 0.139 0.189061435973353 0.364137464653928 0.71 0.9662 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A21 compound treatment -0.211 -0.0816 -0.12 -0.154 -0.0826 -0.16 -0.027 0.023061435973353 0.0444169525285909 -0.1355 -0.6609 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A22 compound treatment 0.101 0.23 0.33 0.826 0.897 1.77 0.158 0.208061435973353 0.400731981102008 1.4436 0.782 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A23 compound treatment 0.043 0.172 0.25 -0.681 -0.61 -1.2 -0.474 -0.423938564026647 -0.816517197592045 -1.0248 -0.6948 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 A24 compound treatment 0.155 0.284 0.4 -0.25 -0.179 -0.35 -0.429 -0.378938564026647 -0.729845974425538 -0.3915 -0.4322 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B01 compound treatment -0.143 -0.0136 -0.02 -0.138 -0.0666 -0.13 -0.145 -0.094938564026647 -0.182854254885805 -0.1926 -0.8522 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B02 compound treatment 0.047 0.176 0.25 -0.095 -0.0236 -0.05 -0.082 -0.031938564026647 -0.0615145424526954 0.0824 0.3141 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B03 compound treatment -0.159 -0.0296 -0.04 -0.312 -0.241 -0.47 -0.041 0.009061435973353 0.0174525719878998 -0.2885 -0.6045 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B04 compound treatment -0.903 -0.774 -1.1 -0.321 -0.25 -0.49 -0.182 -0.131938564026647 -0.254117260600489 -1.0662 -0.8656 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B05 compound treatment -0.455 -0.326 -0.46 -0.034 0.0374 0.07 -0.136 -0.085938564026647 -0.165520010252504 -0.3202 -0.644 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B06 compound treatment 0.35 0.479 0.68 0.083 0.154 0.3 0.072 0.122061435973353 0.235093643494906 0.7053 0.901 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B07 compound treatment -0.439 -0.31 -0.44 0.927 0.998 1.97 0.75 0.800061435973353 1.54094007253694 1.7737 0.6981 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B08 compound treatment 0.613 0.742 1.06 0.286 0.357 0.71 0.297 0.347061435973353 0.668449759327441 1.4028 0.9776 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B09 compound treatment 0.237 0.366 0.52 -0.534 -0.463 -0.91 -0.224 -0.173938564026647 -0.335010402222562 -0.42 -0.3806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B10 compound treatment 0.303 0.432 0.61 -0.294 -0.223 -0.44 -0.39 -0.339938564026647 -0.654730914347898 -0.2768 -0.2768 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B11 compound treatment -0.259 -0.13 -0.18 -0.449 -0.378 -0.75 -0.767 -0.716938564026647 -1.38084316176508 -1.334 -0.8443 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B12 compound treatment -0.175 -0.0456 -0.06 -0.129 -0.0576 -0.11 -0.014 0.036061435973353 0.069455305887804 -0.0629 -0.4249 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B13 mock treatment -0.133 -0.00359 -0.01 -0.158 -0.0866 -0.17 0.035 0.085061435973353 0.163830637780223 -0.007 -0.0297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B14 mock treatment -0.062 0.0674 0.1 -0.508 -0.437 -0.86 -0.289 -0.238938564026647 -0.460202169018627 -0.708 -0.7211 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B15 compound treatment 0.636 0.765 1.09 1.048 1.12 2.16 1.13 1.18006143597335 2.13964877223674 3.1111 0.9633 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B16 compound treatment -0.286 -0.157 -0.22 -0.389 -0.318 -0.63 0.149 0.199061435973353 0.383397736468707 -0.2692 -0.3506 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B17 compound treatment 0.273 0.402 0.57 -0.07 0.00144 0.0 0.258 0.308061435973353 0.593334699249801 0.6745 0.8183 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B18 compound treatment 0.455 0.584 0.83 0.942 1.01 2.0 0.431 0.481061435973353 0.926537401645484 2.17 0.9208 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B19 compound treatment 0.643 0.772 1.1 2.298 2.37 2.9 3.219 3.26906143597335 3.09253459105721 4.0958 0.9347 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B20 compound treatment 0.675 0.804 1.14 0.547 0.618 1.22 0.656 0.706061435973353 1.35989351747802 2.1505 0.9974 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B21 compound treatment 0.093 0.222 0.32 -0.435 -0.364 -0.72 -0.527 -0.476938564026647 -0.918596638210375 -0.7622 -0.631 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B22 compound treatment 0.178 0.307 0.44 -0.278 -0.207 -0.41 -0.357 -0.306938564026647 -0.591172017359127 -0.3245 -0.3859 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B23 compound treatment -0.134 -0.00459 -0.01 -0.243 -0.172 -0.34 -0.74 -0.689938564026647 -1.32884042786517 -0.9666 -0.7048 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 B24 compound treatment 0.531 0.66 0.94 -0.25 -0.179 -0.35 -0.431 -0.380938564026647 -0.733698028788494 -0.0851 -0.0684 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C01 compound treatment -0.452 -0.323 -0.46 -0.232 -0.161 -0.32 -0.476 -0.425938564026647 -0.820369251955 -0.9215 -0.929 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C02 compound treatment -0.37 -0.241 -0.34 -0.406 -0.335 -0.66 -0.192 -0.141938564026647 -0.273377532415268 -0.7367 -0.9296 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C03 compound treatment -0.453 -0.324 -0.46 -0.279 -0.208 -0.41 -0.104 -0.053938564026647 -0.10388714044521 -0.5622 -0.8998 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C04 compound treatment -1.212 -1.08 -1.54 -0.864 -0.793 -1.56 -0.847 -0.796938564026647 -1.53492533628331 -2.6784 -1.0 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C05 compound treatment -0.35 -0.221 -0.31 -0.135 -0.0636 -0.13 -0.153 -0.102938564026647 -0.198262472337629 -0.368 -0.9395 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C06 compound treatment 0.066 0.195 0.28 -0.109 -0.0376 -0.07 -0.084 -0.033938564026647 -0.0653665968156513 0.0798 0.2708 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C07 compound treatment -0.074 0.0554 0.08 0.219 0.29 0.57 -0.082 -0.031938564026647 -0.0615145424526954 0.3411 0.5859 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C08 compound treatment -0.362 -0.233 -0.33 -0.262 -0.191 -0.38 -0.069 -0.018938564026647 -0.0364761890934823 -0.4292 -0.8546 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C09 compound treatment 0.242 0.371 0.53 -0.333 -0.262 -0.52 -0.358 -0.307938564026647 -0.593098044540605 -0.3357 -0.3544 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C10 compound treatment 0.131 0.26 0.37 -0.472 -0.401 -0.79 -0.237 -0.186938564026647 -0.360048755581775 -0.4507 -0.4772 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C11 mock treatment 0.06 0.189 0.27 -0.4 -0.329 -0.65 -0.618 -0.567938564026647 -1.09386511172487 -0.8506 -0.6543 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C12 mock treatment 0.258 0.387 0.55 0.167 0.238 0.47 0.044 0.094061435973353 0.181164882413524 0.6944 0.9297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C13 compound treatment -0.197 -0.0676 -0.1 0.059 0.13 0.26 -0.066 -0.015938564026647 -0.0306981075490485 0.0755 0.2729 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C14 compound treatment -0.264 -0.135 -0.19 -0.167 -0.0956 -0.19 -0.056 -0.005938564026647 -0.0114378357342692 -0.226 -0.8403 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C15 mock treatment -0.21 -0.0806 -0.11 -0.328 -0.257 -0.51 -0.344 -0.293938564026647 -0.566133663999913 -0.6855 -0.8922 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C16 mock treatment -0.31 -0.181 -0.26 -0.077 -0.00556 -0.01 -0.254 -0.203938564026647 -0.3927912176669 -0.3814 -0.8125 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C17 compound treatment 0.078 0.207 0.29 -0.241 -0.17 -0.33 -0.066 -0.015938564026647 -0.0306981075490485 -0.0408 -0.0912 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C18 compound treatment -0.01 0.119 0.17 -0.515 -0.444 -0.88 -0.293 -0.242938564026647 -0.467906277744539 -0.6778 -0.6728 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C19 compound treatment 0.309 0.438 0.62 -0.169 -0.0976 -0.19 -0.278 -0.227938564026647 -0.43901587002237 -0.0048 -0.0061 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C20 compound treatment 0.268 0.397 0.57 0.35 0.421 0.83 0.493 0.543061435973353 1.04595108689712 1.4105 0.972 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C21 compound treatment 0.242 0.371 0.53 -0.136 -0.0646 -0.13 -0.413 -0.362938564026647 -0.699029539521891 -0.1723 -0.1946 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C22 compound treatment -0.016 0.113 0.16 -0.361 -0.29 -0.57 -0.12 -0.069938564026647 -0.134703575348857 -0.3148 -0.5168 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C23 compound treatment 0.136 0.265 0.38 -0.11 -0.0386 -0.08 -0.519 -0.468938564026647 -0.903188420758552 -0.3476 -0.354 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 C24 compound treatment 0.219 0.348 0.5 -0.253 -0.182 -0.36 -0.464 -0.413938564026647 -0.797256925777265 -0.3813 -0.3795 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D01 compound treatment 0.109 0.238 0.34 -0.333 -0.262 -0.52 -0.014 0.036061435973353 0.069455305887804 -0.0624 -0.1003 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D02 compound treatment 0.136 0.265 0.38 0.474 0.545 1.08 0.222 0.272061435973353 0.523997720716596 1.1422 0.9096 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D03 compound treatment 0.311 0.44 0.63 0.256 0.327 0.65 0.508 0.558061435973353 1.07484149461928 1.3554 0.9668 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D04 compound treatment -0.275 -0.146 -0.21 0.431 0.502 0.99 0.688 0.738061435973353 1.42152638728531 1.274 0.7297 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D05 compound treatment 1.164 1.29 1.71 0.289 0.36 0.71 0.323 0.373061435973353 0.718526466045867 1.8102 0.9131 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D06 compound treatment 0.188 0.317 0.45 0.094 0.165 0.33 0.114 0.164061435973353 0.315986785116979 0.6316 0.9861 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D07 compound treatment 0.121 0.25 0.36 0.492 0.563 1.11 0.259 0.309061435973353 0.595260726431279 1.1915 0.9089 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D08 compound treatment -1.056 -0.927 -1.32 -0.773 -0.702 -1.39 -0.726 -0.675938564026647 -1.30187604732448 -2.312 -0.9996 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D09 compound treatment 0.109 0.238 0.34 0.071 0.142 0.28 -0.284 -0.233938564026647 -0.450572033111238 0.0979 0.1554 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D10 compound treatment -0.365 -0.236 -0.33 -0.235 -0.164 -0.32 -0.408 -0.357938564026647 -0.689399403614501 -0.7779 -0.9352 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D11 mock treatment 0.089 0.218 0.31 0.022 0.0934 0.18 -0.227 -0.176938564026647 -0.340788483766996 0.089 0.1793 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D12 mock treatment -0.07 0.0594 0.08 0.05 0.121 0.24 -0.029 0.021061435973353 0.040564898165635 0.2106 0.8182 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D13 compound treatment -0.681 -0.552 -0.78 -0.026 0.0454 0.09 -0.314 -0.263938564026647 -0.508352848555576 -0.6945 -0.7397 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D14 compound treatment 0.364 0.493 0.7 0.372 0.443 0.88 0.255 0.305061435973353 0.587556617705368 1.2498 0.9868 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D15 mock treatment 0.293 0.422 0.6 -0.458 -0.387 -0.76 0.175 0.225061435973353 0.433474443187133 0.1563 0.147 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D16 mock treatment -0.642 -0.513 -0.73 -0.42 -0.349 -0.69 -0.148 -0.097938564026647 -0.188632336430239 -0.927 -0.9089 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D17 compound treatment -0.358 -0.229 -0.33 0.445 0.516 1.02 -0.246 -0.195938564026647 -0.377383000215076 0.1832 0.1614 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D18 compound treatment 0.016 0.145 0.21 -0.38 -0.309 -0.61 0.114 0.164061435973353 0.315986785116979 -0.05 -0.0697 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D19 compound treatment 0.377 0.506 0.72 0.127 0.198 0.39 0.019 0.069061435973353 0.133014202876576 0.7187 0.8655 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D20 compound treatment -0.544 -0.415 -0.59 -0.196 -0.125 -0.25 0.042 0.092061435973353 0.177312828050568 -0.38 -0.5732 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D21 compound treatment -0.048 0.0814 0.12 -0.28 -0.209 -0.41 -0.606 -0.555938564026647 -1.07075278554713 -0.7891 -0.6844 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D22 compound treatment -0.732 -0.603 -0.86 -0.554 -0.483 -0.95 -0.394 -0.343938564026647 -0.66243502307381 -1.4272 -0.9894 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D23 compound treatment 0.161 0.29 0.41 -0.549 -0.478 -0.94 -0.571 -0.520938564026647 -1.0033418341954 -0.8853 -0.6159 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 D24 compound treatment 0.091 0.22 0.31 -0.211 -0.14 -0.28 -0.108 -0.057938564026647 -0.111591249171122 -0.0426 -0.0986 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E01 mock treatment 0.0 0.129 0.18 -0.127 -0.0556 -0.11 0.028 0.078061435973353 0.150348447509877 0.1297 0.4955 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E02 mock treatment -0.305 -0.176 -0.25 -0.193 -0.122 -0.24 -0.073 -0.022938564026647 -0.044180297819394 -0.3082 -0.8828 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E03 compound treatment -0.104 0.0254 0.04 -0.427 -0.356 -0.7 -0.333 -0.282938564026647 -0.544947365003656 -0.6991 -0.786 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E04 compound treatment -0.257 -0.128 -0.18 0.563 0.634 1.25 0.75 0.800061435973353 1.54094007253694 1.5082 0.7563 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E05 compound treatment -0.179 -0.0496 -0.07 -0.103 -0.0316 -0.06 -0.213 -0.162938564026647 -0.313824103226304 -0.2579 -0.7871 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E06 compound treatment 0.091 0.22 0.31 -0.094 -0.0226 -0.04 -0.111 -0.060938564026647 -0.117369330715555 0.0874 0.259 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E07 compound treatment -0.136 -0.00659 -0.01 -0.136 -0.0646 -0.13 0.042 0.092061435973353 0.177312828050568 0.0234 0.1069 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E08 compound treatment 0.205 0.334 0.48 0.375 0.446 0.88 0.242 0.292061435973353 0.562518264346154 1.1082 0.9647 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E09 mock treatment 0.028 0.157 0.22 -0.189 -0.118 -0.23 0.218 0.268061435973353 0.516293611990684 0.2933 0.4818 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E10 mock treatment 0.27 0.399 0.57 -0.291 -0.22 -0.43 -0.286 -0.235938564026647 -0.454424087474193 -0.1848 -0.2183 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E11 compound treatment -0.12 0.00941 0.01 -0.005 0.0664 0.13 0.06 0.110061435973353 0.211981317317171 0.2058 0.8246 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E12 compound treatment -0.137 -0.00759 -0.01 -0.25 -0.179 -0.35 -0.141 -0.090938564026647 -0.175150146159893 -0.3109 -0.7895 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E13 compound treatment -0.224 -0.0946 -0.13 0.054 0.125 0.25 -0.343 -0.292938564026647 -0.564207636818436 -0.2604 -0.4129 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E14 compound treatment 0.832 0.961 1.37 0.712 0.783 1.55 0.5 0.550061435973353 1.05943327716746 2.294 0.9886 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E15 compound treatment 1.118 1.25 1.68 1.094 1.17 2.2 0.87 0.920061435973353 1.7720633343143 3.2636 0.9928 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E16 compound treatment 0.012 0.141 0.2 -0.087 -0.0156 -0.03 -0.216 -0.165938564026647 -0.319602184770738 -0.0862 -0.2275 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E17 mock treatment -0.29 -0.161 -0.23 -0.088 -0.0166 -0.03 -0.282 -0.231938564026647 -0.446719978748282 -0.4086 -0.8128 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E18 mock treatment -0.087 0.0424 0.06 -0.308 -0.237 -0.47 -0.185 -0.134938564026647 -0.259895342144922 -0.3849 -0.7156 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E19 compound treatment -0.148 -0.0186 -0.03 -0.023 0.0484 0.1 -0.233 -0.182938564026647 -0.352344646855863 -0.1635 -0.4466 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E20 compound treatment 0.31 0.439 0.62 0.708 0.779 1.54 0.747 0.797061435973353 1.53516199099251 2.1356 0.9442 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E21 compound treatment -0.027 0.102 0.15 0.018 0.0894 0.18 -0.305 -0.254938564026647 -0.491018603922274 -0.0975 -0.1799 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E22 compound treatment -0.092 0.0374 0.05 -0.364 -0.293 -0.58 -0.714 -0.663938564026647 -1.27876372114675 -1.0411 -0.7414 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E23 compound treatment 0.262 0.391 0.56 0.423 0.494 0.98 -0.144 -0.093938564026647 -0.180928227704327 0.7805 0.6857 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 E24 compound treatment 0.113 0.242 0.34 0.017 0.0884 0.17 -0.068 -0.017938564026647 -0.0345501619120044 0.2799 0.7215 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F01 mock treatment -0.246 -0.117 -0.17 -0.281 -0.21 -0.41 -0.115 -0.064938564026647 -0.125073439441467 -0.4068 -0.8787 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F02 mock treatment -0.595 -0.466 -0.66 -0.127 -0.0556 -0.11 -0.425 -0.374938564026647 -0.722141865699626 -0.8625 -0.8749 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F03 compound treatment -0.656 -0.527 -0.75 0.111 0.182 0.36 -0.333 -0.282938564026647 -0.544947365003656 -0.5389 -0.5424 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F04 compound treatment -1.494 -1.36 -1.94 0.593 0.664 1.31 -0.586 -0.535938564026647 -1.03223224191757 -0.9587 -0.3746 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F05 compound treatment -0.4 -0.271 -0.38 0.0 0.0714 0.14 0.229 0.279061435973353 0.537479910986941 0.1696 0.251 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F06 compound treatment -0.217 -0.0876 -0.12 -0.312 -0.241 -0.47 -0.065 -0.014938564026647 -0.0287720803675706 -0.3627 -0.7375 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F07 compound treatment 0.272 0.401 0.57 0.316 0.387 0.77 0.968 1.01806143597335 1.96081399809913 1.9033 0.8727 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F08 compound treatment 0.4 0.529 0.75 0.274 0.345 0.68 0.226 0.276061435973353 0.531701829442508 1.1353 0.9903 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F09 mock treatment -0.095 0.0344 0.05 -0.317 -0.246 -0.48 -0.013 0.037061435973353 0.0713813330692819 -0.2105 -0.4273 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F10 mock treatment -0.212 -0.0826 -0.12 -0.443 -0.372 -0.73 -0.091 -0.040938564026647 -0.0788487870859968 -0.5369 -0.7186 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F11 compound treatment 0.076 0.205 0.29 -0.313 -0.242 -0.48 -0.347 -0.296938564026647 -0.571911745544347 -0.437 -0.5463 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F12 compound treatment 0.03 0.159 0.23 0.016 0.0874 0.17 0.113 0.163061435973353 0.314060757935501 0.4119 0.9713 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F13 compound treatment 0.111 0.24 0.34 0.655 0.726 1.43 0.435 0.485061435973353 0.934241510371395 1.5649 0.8965 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F14 compound treatment 0.1 0.229 0.33 0.324 0.395 0.78 0.3 0.350061435973353 0.674227840871874 1.0284 0.9505 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F15 compound treatment -1.328 -1.2 -1.7 -0.703 -0.632 -1.25 -0.567 -0.516938564026647 -0.995637725469492 -2.2787 -0.976 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F16 compound treatment 0.317 0.446 0.63 -0.235 -0.164 -0.32 0.193 0.243061435973353 0.468142932453736 0.4503 0.5283 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F17 mock treatment -0.186 -0.0566 -0.08 -0.25 -0.179 -0.35 -0.014 0.036061435973353 0.069455305887804 -0.2099 -0.57 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F18 mock treatment 0.109 0.238 0.34 -0.197 -0.126 -0.25 -0.281 -0.230938564026647 -0.444793951566804 -0.2042 -0.3339 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F19 compound treatment -0.04 0.0894 0.13 0.358 0.429 0.85 0.652 0.702061435973353 1.35218940875211 1.3436 0.8392 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F20 compound treatment -0.1 0.0294 0.04 -0.017 0.0544 0.11 0.03 0.080061435973353 0.154200501872833 0.1752 0.91 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F21 compound treatment 0.197 0.326 0.46 -0.448 -0.377 -0.74 -0.114 -0.063938564026647 -0.123147412259989 -0.2324 -0.2626 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F22 compound treatment 0.049 0.178 0.25 -0.338 -0.267 -0.53 -0.267 -0.216938564026647 -0.417829571026113 -0.3987 -0.555 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F23 compound treatment 0.394 0.523 0.74 -0.515 -0.444 -0.88 -0.781 -0.730938564026647 -1.40780754230577 -0.8888 -0.4891 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 F24 compound treatment -0.169 -0.0396 -0.06 0.048 0.119 0.24 -0.042 0.00806143597335299 0.0155265448064219 0.1126 0.4636 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G01 compound treatment -0.534 -0.405 -0.58 -0.646 -0.575 -1.13 -0.516 -0.465938564026647 -0.897410339214118 -1.5052 -0.9669 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G02 compound treatment -0.392 -0.263 -0.37 0.015 0.0864 0.17 -0.157 -0.106938564026647 -0.20596658106354 -0.2359 -0.5137 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G03 mock treatment -0.371 -0.242 -0.34 -0.292 -0.221 -0.44 -0.54 -0.489938564026647 -0.943634991569588 -0.9946 -0.9086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G04 mock treatment -0.095 0.0344 0.05 -0.029 0.0424 0.08 -0.379 -0.328938564026647 -0.633544615351641 -0.2892 -0.4511 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G05 compound treatment -0.145 -0.0156 -0.02 -0.1 -0.0286 -0.06 0.085 0.135061435973353 0.260131996854119 0.1048 0.3925 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G06 compound treatment -0.014 0.115 0.16 -0.217 -0.146 -0.29 -0.108 -0.057938564026647 -0.111591249171122 -0.1356 -0.3883 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G07 compound treatment 0.328 0.457 0.65 -0.097 -0.0256 -0.05 -0.013 0.037061435973353 0.0713813330692819 0.3875 0.5906 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G08 compound treatment 0.157 0.286 0.41 -0.262 -0.191 -0.38 -0.425 -0.374938564026647 -0.722141865699626 -0.3991 -0.4383 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G09 compound treatment 0.125 0.254 0.36 0.118 0.189 0.37 0.219 0.269061435973353 0.518219639172162 0.724 0.9859 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G10 compound treatment 0.047 0.176 0.25 0.178 0.249 0.49 -0.135 -0.084938564026647 -0.163593983071026 0.3347 0.5807 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G11 compound treatment 0.172 0.301 0.43 -0.81 -0.739 -1.46 -0.628 -0.577938564026647 -1.11312538353965 -1.2372 -0.6567 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G12 compound treatment 0.076 0.205 0.29 -0.013 0.0584 0.12 -0.635 -0.584938564026647 -1.12660757380999 -0.4152 -0.355 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G13 compound treatment -0.4 -0.271 -0.38 -0.36 -0.289 -0.57 -0.203 -0.152938564026647 -0.294563831411525 -0.7211 -0.9642 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G14 compound treatment -0.412 -0.283 -0.4 -0.186 -0.115 -0.23 -0.254 -0.203938564026647 -0.3927912176669 -0.5893 -0.973 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G15 compound treatment -0.317 -0.188 -0.27 0.149 0.22 0.44 0.033 0.083061435973353 0.159978583417267 0.1897 0.3546 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G16 compound treatment -0.165 -0.0356 -0.05 0.1 0.171 0.34 -0.127 -0.076938564026647 -0.148185765619202 0.0807 0.2163 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G17 compound treatment -0.542 -0.413 -0.59 -0.485 -0.414 -0.82 -0.203 -0.152938564026647 -0.294563831411525 -0.9802 -0.9356 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G18 compound treatment 0.111 0.24 0.34 -0.505 -0.434 -0.86 0.113 0.163061435973353 0.314060757935501 -0.1156 -0.1187 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G19 mock treatment 0.378 0.507 0.72 0.226 0.297 0.59 -0.179 -0.128938564026647 -0.248339179056055 0.6122 0.6358 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G20 mock treatment 0.119 0.248 0.35 -0.318 -0.247 -0.49 -0.208 -0.157938564026647 -0.304193967318915 -0.2528 -0.3751 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G21 compound treatment 0.031 0.16 0.23 -0.549 -0.478 -0.94 -0.311 -0.260938564026647 -0.502574767011142 -0.7029 -0.6433 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G22 compound treatment 0.05 0.179 0.26 0.233 0.304 0.6 0.689 0.739061435973353 1.42345241446679 1.3162 0.8404 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G23 compound treatment -0.397 -0.268 -0.38 0.5 0.571 1.13 0.5 0.550061435973353 1.05943327716746 1.0434 0.6547 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 G24 compound treatment -0.118 0.0114 0.02 -0.547 -0.476 -0.94 -0.484 -0.433938564026647 -0.835777469406824 -1.0153 -0.8076 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H01 compound treatment -0.119 0.0104 0.01 0.068 0.139 0.28 -0.079 -0.028938564026647 -0.0557364609082616 0.1353 0.4811 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H02 compound treatment -0.163 -0.0336 -0.05 0.823 0.894 1.77 0.241 0.291061435973353 0.560592237164677 1.3157 0.7099 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H03 mock treatment -0.054 0.0754 0.11 0.011 0.0824 0.16 -0.441 -0.390938564026647 -0.752958300603273 -0.2788 -0.3585 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H04 mock treatment -0.305 -0.176 -0.25 -0.257 -0.186 -0.37 -0.246 -0.195938564026647 -0.377383000215076 -0.5736 -0.9851 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H05 compound treatment -0.453 -0.324 -0.46 -0.13 -0.0586 -0.12 -0.095 -0.044938564026647 -0.0865528958119085 -0.3824 -0.7929 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H06 compound treatment 0.413 0.542 0.77 -0.344 -0.273 -0.54 0.468 0.518061435973353 0.997800407360167 0.7106 0.5183 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H07 compound treatment -0.148 -0.0186 -0.03 -0.348 -0.277 -0.55 -0.461 -0.410938564026647 -0.791478844232832 -0.7875 -0.8187 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H08 compound treatment -0.078 0.0514 0.07 0.407 0.478 0.94 0.585 0.635061435973353 1.22314558759309 1.2938 0.8362 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H09 compound treatment 0.037 0.166 0.24 -0.197 -0.126 -0.25 0.014 0.064061435973353 0.123384066969186 0.0647 0.1776 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H10 compound treatment -0.852 -0.723 -1.03 -0.771 -0.7 -1.38 -0.603 -0.552938564026647 -1.0649747040027 -2.0055 -0.9907 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H11 compound treatment -0.358 -0.229 -0.33 -0.512 -0.441 -0.87 -0.299 -0.248938564026647 -0.479462440833407 -0.9667 -0.925 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H12 compound treatment -0.017 0.112 0.16 0.198 0.269 0.53 0.323 0.373061435973353 0.718526466045867 0.8143 0.8966 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H13 compound treatment 0.023 0.152 0.22 0.282 0.353 0.7 0.034 0.084061435973353 0.161904610598745 0.6215 0.8304 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H14 compound treatment -0.267 -0.138 -0.2 0.063 0.134 0.27 0.164 0.214061435973353 0.412288144190876 0.2783 0.5272 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H15 compound treatment -0.208 -0.0786 -0.11 0.011 0.0824 0.16 -0.043 0.007061435973353 0.013600517624944 0.0373 0.1886 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H16 compound treatment -0.298 -0.169 -0.24 -0.477 -0.406 -0.8 0.017 0.067061435973353 0.12916214851362 -0.5262 -0.6221 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H17 compound treatment -0.8 -0.671 -0.95 -0.912 -0.841 -1.66 -0.797 -0.746938564026647 -1.43862397720942 -2.3393 -0.977 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H18 compound treatment 0.507 0.636 0.9 0.968 1.04 2.05 0.429 0.479061435973353 0.922685347282528 2.2401 0.9236 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H19 mock treatment -0.125 0.00441 0.01 0.031 0.102 0.2 -0.553 -0.502938564026647 -0.968673344928801 -0.4389 -0.4435 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H20 mock treatment -0.449 -0.32 -0.45 -0.135 -0.0636 -0.13 -0.519 -0.468938564026647 -0.903188420758552 -0.8563 -0.8405 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H21 compound treatment 0.524 0.653 0.93 -1.182 -1.11 -2.19 -1.838 -1.78793856402665 -3.44361827312794 -2.7178 -0.6491 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H22 compound treatment 1.6 1.73 1.91 1.658 1.73 2.6 2.014 2.06406143597335 2.68757745029177 4.1586 0.9897 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H23 compound treatment 0.262 0.391 0.56 0.194 0.265 0.52 0.309 0.359061435973353 0.691562085505176 1.0232 0.9925 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 H24 compound treatment 0.254 0.383 0.55 -0.081 -0.00956 -0.02 -0.114 -0.063938564026647 -0.123147412259989 0.2327 0.4162 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I01 compound treatment -0.603 -0.474 -0.67 -0.053 0.0184 0.04 -0.25 -0.199938564026647 -0.385087108940988 -0.5901 -0.7599 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I02 compound treatment -0.093 0.0364 0.05 -0.253 -0.182 -0.36 -0.175 -0.124938564026647 -0.240635070330143 -0.316 -0.7267 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I03 compound treatment 0.333 0.462 0.66 0.045 0.116 0.23 0.041 0.091061435973353 0.17538680086909 0.6136 0.8543 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I04 compound treatment 0.385 0.514 0.73 1.0 1.07 2.12 0.902 0.952061435973353 1.83369620412159 2.7024 0.9339 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I05 mock treatment -0.085 0.0444 0.06 0.712 0.783 1.55 0.147 0.197061435973353 0.379545682105751 1.1487 0.7206 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I06 mock treatment -0.333 -0.204 -0.29 -0.308 -0.237 -0.47 -0.197 -0.146938564026647 -0.283007668322658 -0.6002 -0.971 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I07 compound treatment 0.383 0.512 0.73 0.591 0.662 1.31 0.616 0.666061435973353 1.2828524302189 1.9164 0.972 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I08 compound treatment -0.055 0.0744 0.11 -0.4 -0.329 -0.65 -0.235 -0.184938564026647 -0.356196701218819 -0.5191 -0.6944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I09 compound treatment 0.449 0.578 0.82 -0.018 0.0534 0.11 -0.08 -0.029938564026647 -0.0576624880897395 0.5024 0.6045 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I10 compound treatment -0.253 -0.124 -0.18 -0.702 -0.631 -1.25 -0.844 -0.793938564026647 -1.52914725473888 -1.7031 -0.8603 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I11 compound treatment -0.126 0.00341 0.0 0.015 0.0864 0.17 0.346 0.396061435973353 0.762825091219859 0.5418 0.693 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I12 compound treatment 0.292 0.421 0.6 -0.61 -0.539 -1.06 -0.87 -0.819938564026647 -1.57922396145731 -1.1798 -0.5911 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I13 compound treatment -0.378 -0.249 -0.35 -0.075 -0.00356 -0.01 -0.571 -0.520938564026647 -1.0033418341954 -0.7874 -0.7402 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I14 compound treatment -0.268 -0.139 -0.2 -0.171 -0.0996 -0.2 -0.247 -0.196938564026647 -0.379309027396554 -0.4463 -0.9485 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I15 compound treatment 0.883 1.01 1.44 0.603 0.674 1.33 0.138 0.188061435973353 0.36221143747245 1.809 0.9072 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I16 compound treatment 0.929 1.06 1.5 1.317 1.39 2.38 0.776 0.826061435973353 1.59101677925537 3.1622 0.9775 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I17 compound treatment 0.2 0.329 0.47 1.046 1.12 2.16 0.297 0.347061435973353 0.668449759327441 1.9027 0.8244 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I18 compound treatment -0.413 -0.284 -0.4 -0.318 -0.247 -0.49 -0.12 -0.069938564026647 -0.134703575348857 -0.5916 -0.9154 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I19 compound treatment -0.58 -0.451 -0.64 -0.667 -0.596 -1.18 -0.709 -0.658938564026647 -1.26913358523936 -1.7815 -0.9656 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I20 compound treatment -0.154 -0.0246 -0.03 -0.577 -0.506 -1.0 -0.396 -0.345938564026647 -0.666287077436766 -0.9812 -0.8172 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I21 mock treatment 0.111 0.24 0.34 -0.236 -0.165 -0.32 -0.025 0.025061435973353 0.0482690068915467 0.0376 0.0793 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I22 mock treatment -0.394 -0.265 -0.38 -0.333 -0.262 -0.52 -0.064 -0.013938564026647 -0.0268460531860926 -0.5309 -0.8301 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I23 compound treatment -0.131 -0.00159 0.0 -0.407 -0.336 -0.66 -0.407 -0.356938564026647 -0.687473376433023 -0.7808 -0.8177 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 I24 compound treatment -0.176 -0.0466 -0.07 -0.263 -0.192 -0.38 -0.667 -0.616938564026647 -1.18824044361729 -0.9427 -0.7549 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J01 compound treatment -0.492 -0.363 -0.52 0.279 0.35 0.69 -0.115 -0.064938564026647 -0.125073439441467 0.0296 0.034 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J02 compound treatment -0.945 -0.816 -1.16 -0.591 -0.52 -1.03 -1.891 -1.84093856402665 -3.54569771374627 -3.3089 -0.8552 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J03 compound treatment -0.459 -0.33 -0.47 0.156 0.227 0.45 -0.152 -0.101938564026647 -0.196336445156151 -0.1246 -0.1838 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J04 compound treatment 0.057 0.186 0.27 0.212 0.283 0.56 -0.256 -0.205938564026647 -0.396643272029856 0.2471 0.3361 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J05 mock treatment -0.21 -0.0806 -0.11 -0.224 -0.153 -0.3 -0.055 -0.004938564026647 -0.00951180855279123 -0.2456 -0.7616 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J06 mock treatment 0.188 0.317 0.45 -0.483 -0.412 -0.81 -0.432 -0.381938564026647 -0.735624055969971 -0.6333 -0.5343 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J07 compound treatment -0.158 -0.0286 -0.04 0.623 0.694 1.37 0.592 0.642061435973353 1.23662777786343 1.4821 0.8025 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J08 compound treatment -0.014 0.115 0.16 -0.067 0.00444 0.01 0.096 0.146061435973353 0.281318295850376 0.2622 0.8048 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J09 compound treatment -0.027 0.102 0.15 -0.108 -0.0366 -0.07 -0.113 -0.062938564026647 -0.121221385078511 -0.0276 -0.1361 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J10 compound treatment 0.014 0.143 0.2 -0.013 0.0584 0.12 -0.125 -0.074938564026647 -0.144333711256246 0.101 0.3671 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J11 compound treatment 0.106 0.235 0.33 -0.214 -0.143 -0.28 -0.514 -0.463938564026647 -0.893558284851162 -0.4852 -0.4877 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J12 compound treatment -0.351 -0.222 -0.32 -0.38 -0.309 -0.61 -0.411 -0.360938564026647 -0.695177485158935 -0.935 -0.9574 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J13 compound treatment 0.284 0.413 0.59 0.255 0.326 0.64 0.371 0.421061435973353 0.810975770756808 1.1797 0.9905 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J14 compound treatment -0.405 -0.276 -0.39 -0.016 0.0554 0.11 0.173 0.223061435973353 0.429622388824177 0.085 0.1437 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J15 compound treatment -0.139 -0.00959 -0.01 -0.27 -0.199 -0.39 -0.219 -0.168938564026647 -0.325380266315172 -0.4221 -0.8281 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J16 compound treatment -0.522 -0.393 -0.56 0.049 0.12 0.24 -0.176 -0.125938564026647 -0.242561097511621 -0.325 -0.4974 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J17 compound treatment 3.242 3.37 2.34 2.186 2.26 2.86 0.913 0.963061435973353 1.85488250311785 4.0736 0.9852 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J18 compound treatment -0.48 -0.351 -0.5 -0.063 0.00844 0.02 0.117 0.167061435973353 0.321764866661413 -0.0924 -0.1557 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J19 compound treatment -0.625 -0.496 -0.7 -0.312 -0.241 -0.47 0.27 0.320061435973353 0.616447025427537 -0.3251 -0.3097 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J20 compound treatment 0.545 0.674 0.96 0.629 0.7 1.38 0.992 1.04206143597335 2.0070386504546 2.5109 0.9586 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J21 mock treatment -0.654 -0.525 -0.75 -0.509 -0.438 -0.86 -0.275 -0.224938564026647 -0.433237788477936 -1.1796 -0.9662 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J22 mock treatment -0.489 -0.36 -0.51 -0.611 -0.54 -1.07 -0.59 -0.539938564026647 -1.03993635064348 -1.5107 -0.9597 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J23 compound treatment -0.495 -0.366 -0.52 -0.266 -0.195 -0.38 -0.782 -0.731938564026647 -1.40973356948725 -1.3358 -0.8613 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 J24 compound treatment 0.32 0.449 0.64 -0.2 -0.129 -0.25 -0.361 -0.310938564026647 -0.598876126085038 -0.1234 -0.1354 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K01 compound treatment -0.667 -0.538 -0.76 -0.5 -0.429 -0.85 -0.082 -0.031938564026647 -0.0615145424526954 -0.9654 -0.8454 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K02 compound treatment -0.686 -0.557 -0.79 -0.113 -0.0416 -0.08 -0.114 -0.063938564026647 -0.123147412259989 -0.5754 -0.7147 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K03 compound treatment -0.413 -0.284 -0.4 -0.106 -0.0346 -0.07 -0.119 -0.068938564026647 -0.132777548167379 -0.3488 -0.8114 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K04 compound treatment 0.221 0.35 0.5 0.813 0.884 1.75 0.873 0.923061435973353 1.77784141585873 2.3223 0.9138 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K05 compound treatment -0.517 -0.388 -0.55 -0.462 -0.391 -0.77 -0.3 -0.249938564026647 -0.481388468014885 -1.0413 -0.9795 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K06 compound treatment 0.154 0.283 0.4 0.328 0.399 0.79 -0.028 0.022061435973353 0.0424909253471129 0.7125 0.8036 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K07 mock treatment -0.025 0.104 0.15 0.141 0.212 0.42 0.011 0.061061435973353 0.117605985424752 0.3958 0.86 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K08 mock treatment 0.103 0.232 0.33 -0.094 -0.0226 -0.04 -0.25 -0.199938564026647 -0.385087108940988 -0.0573 -0.1124 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K09 compound treatment 0.141 0.27 0.38 -0.028 0.0434 0.09 -0.368 -0.317938564026647 -0.612358316355384 -0.0821 -0.1127 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K10 compound treatment -0.053 0.0764 0.11 -0.813 -0.742 -1.46 -0.068 -0.017938564026647 -0.0345501619120044 -0.8026 -0.5465 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K11 compound treatment 0.723 0.852 1.21 -0.805 -0.734 -1.45 -0.712 -0.661938564026647 -1.27491166678379 -0.8726 -0.383 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K12 compound treatment -0.113 0.0164 0.02 -0.309 -0.238 -0.47 -0.5 -0.449938564026647 -0.866593904310471 -0.7577 -0.7687 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K13 compound treatment 0.859 0.988 1.41 0.757 0.828 1.64 0.75 0.800061435973353 1.54094007253694 2.6454 0.9981 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K14 compound treatment -0.391 -0.262 -0.37 -0.364 -0.293 -0.58 -0.429 -0.378938564026647 -0.729845974425538 -0.9696 -0.9674 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K15 mock treatment 0.357 0.486 0.69 0.194 0.265 0.52 -0.075 -0.024938564026647 -0.0480323521823499 0.6741 0.7757 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K16 mock treatment 0.192 0.321 0.46 -0.226 -0.155 -0.31 -0.139 -0.088938564026647 -0.171298091796938 -0.0113 -0.0196 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K17 compound treatment -0.7 -0.571 -0.81 -0.483 -0.412 -0.81 -0.391 -0.340938564026647 -0.656656941529376 -1.3167 -0.9954 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K18 compound treatment -0.377 -0.248 -0.35 -0.056 0.0154 0.03 -0.289 -0.238938564026647 -0.460202169018627 -0.4513 -0.7779 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K19 compound treatment -0.195 -0.0656 -0.09 -0.203 -0.132 -0.26 0.014 0.064061435973353 0.123384066969186 -0.1326 -0.4385 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K20 compound treatment -0.214 -0.0846 -0.12 0.571 0.642 1.27 -0.338 -0.287938564026647 -0.554577500911046 0.3427 0.2466 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K21 compound treatment -0.342 -0.213 -0.3 -0.59 -0.519 -1.02 -0.466 -0.415938564026647 -0.801108980140221 -1.2282 -0.9202 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K22 compound treatment -0.275 -0.146 -0.21 -0.526 -0.455 -0.9 -0.69 -0.639938564026647 -1.23253906879128 -1.3493 -0.8769 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K23 mock treatment -0.353 -0.224 -0.32 -0.486 -0.415 -0.82 -1.014 -0.963938564026647 -1.85657187559013 -1.728 -0.8414 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 K24 mock treatment -0.447 -0.318 -0.45 -0.353 -0.282 -0.56 -0.88 -0.829938564026647 -1.59848423327209 -1.5046 -0.859 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L01 compound treatment -0.465 -0.336 -0.48 -0.397 -0.326 -0.64 -0.073 -0.022938564026647 -0.044180297819394 -0.6721 -0.8383 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L02 compound treatment -0.37 -0.241 -0.34 0.389 0.46 0.91 0.053 0.103061435973353 0.198499127046825 0.442 0.4458 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L03 compound treatment -0.075 0.0544 0.08 0.106 0.177 0.35 0.038 0.088061435973353 0.169608719324656 0.3449 0.869 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L04 compound treatment 2.1 2.23 2.09 1.305 1.38 2.37 1.238 1.28806143597335 2.22749433410346 3.8603 0.9986 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L05 compound treatment -0.51 -0.381 -0.54 0.155 0.226 0.45 -0.393 -0.342938564026647 -0.660508995892332 -0.4356 -0.452 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L06 compound treatment 0.0 0.129 0.18 -0.162 -0.0906 -0.18 -0.156 -0.105938564026647 -0.204040553882062 -0.1148 -0.3502 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L07 mock treatment 0.119 0.248 0.35 0.181 0.252 0.5 -0.522 -0.471938564026647 -0.908966502302985 -0.0331 -0.0302 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L08 mock treatment -0.437 -0.308 -0.44 -0.165 -0.0936 -0.18 -0.318 -0.267938564026647 -0.516056957281487 -0.6571 -0.9371 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L09 compound treatment 0.542 0.671 0.95 0.214 0.285 0.56 0.162 0.212061435973353 0.40843608982792 1.1123 0.9415 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L10 compound treatment -0.554 -0.425 -0.6 -0.016 0.0554 0.11 -0.343 -0.292938564026647 -0.564207636818436 -0.6111 -0.7331 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L11 compound treatment -0.052 0.0774 0.11 1.398 1.47 2.44 1.343 1.39306143597335 2.30578867940059 2.8028 0.8347 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L12 compound treatment 0.284 0.413 0.59 -0.679 -0.608 -1.2 -0.791 -0.740938564026647 -1.42706781412055 -1.1772 -0.6022 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L13 compound treatment -0.358 -0.229 -0.33 -0.229 -0.158 -0.31 -0.114 -0.063938564026647 -0.123147412259989 -0.4384 -0.9398 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L14 compound treatment -0.327 -0.198 -0.28 -0.227 -0.156 -0.31 0.152 0.202061435973353 0.389175818013141 -0.1148 -0.2015 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L15 mock treatment -0.21 -0.0806 -0.11 -0.315 -0.244 -0.48 -0.227 -0.176938564026647 -0.340788483766996 -0.5406 -0.9003 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L16 mock treatment -0.343 -0.214 -0.3 -0.288 -0.217 -0.43 -0.125 -0.074938564026647 -0.144333711256246 -0.5055 -0.9294 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L17 compound treatment -0.778 -0.649 -0.92 -0.141 -0.0696 -0.14 -0.098 -0.047938564026647 -0.0923309773563423 -0.665 -0.7098 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L18 compound treatment -0.319 -0.19 -0.27 -0.446 -0.375 -0.74 -0.179 -0.128938564026647 -0.248339179056055 -0.726 -0.8796 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L19 compound treatment 0.016 0.145 0.21 0.345 0.416 0.82 0.705 0.755061435973353 1.45426884937044 1.4337 0.8517 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L20 compound treatment -0.623 -0.494 -0.7 -0.133 -0.0616 -0.12 -0.137 -0.086938564026647 -0.167446037433982 -0.572 -0.7818 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L21 compound treatment 0.188 0.317 0.45 -0.27 -0.199 -0.39 -0.434 -0.383938564026647 -0.739476110332927 -0.3927 -0.413 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L22 compound treatment -0.21 -0.0806 -0.11 -0.314 -0.243 -0.48 0.029 0.079061435973353 0.152274474691355 -0.2548 -0.4942 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L23 mock treatment 0.537 0.666 0.95 0.539 0.61 1.21 0.534 0.584061435973353 1.12491820133771 1.8924 0.9952 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 L24 mock treatment 0.1 0.229 0.33 -0.304 -0.233 -0.46 -0.338 -0.287938564026647 -0.554577500911046 -0.397 -0.5022 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M01 compound treatment -0.471 -0.342 -0.49 -0.122 -0.0506 -0.1 0.009 0.059061435973353 0.113753931061796 -0.2724 -0.5354 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M02 compound treatment -0.261 -0.132 -0.19 -0.222 -0.151 -0.3 -0.028 0.022061435973353 0.0424909253471129 -0.2551 -0.7211 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M03 compound treatment -0.18 -0.0506 -0.07 0.437 0.508 1.0 -0.069 -0.018938564026647 -0.0364761890934823 0.517 0.5134 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M04 compound treatment -0.17 -0.0406 -0.06 -0.063 0.00844 0.02 -0.253 -0.202938564026647 -0.390865190485422 -0.2494 -0.6306 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M05 compound treatment -0.047 0.0824 0.12 0.0 0.0714 0.14 -0.871 -0.820938564026647 -1.58114998863878 -0.7638 -0.4798 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M06 compound treatment -0.641 -0.512 -0.73 -0.405 -0.334 -0.66 -0.458 -0.407938564026647 -0.785700762688398 -1.2538 -0.9974 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M07 compound treatment 0.083 0.212 0.3 0.745 0.816 1.61 0.771 0.821061435973353 1.58138664334798 2.0181 0.8858 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M08 compound treatment -0.608 -0.479 -0.68 -0.442 -0.371 -0.73 -0.39 -0.339938564026647 -0.654730914347898 -1.1933 -0.9989 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M09 mock treatment -0.036 0.0934 0.13 -0.055 0.0164 0.03 0.129 0.179061435973353 0.344877192839148 0.2945 0.7939 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M10 mock treatment -0.692 -0.563 -0.8 -0.581 -0.51 -1.01 -0.641 -0.590938564026647 -1.13816373689886 -1.6998 -0.9901 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M11 compound treatment 0.0 0.129 0.18 -0.13 -0.0586 -0.12 -0.344 -0.293938564026647 -0.566133663999913 -0.2874 -0.4739 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M12 compound treatment -0.545 -0.416 -0.59 -0.228 -0.157 -0.31 -0.541 -0.490938564026647 -0.945561018751066 -1.0655 -0.9209 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M13 mock treatment -0.099 0.0304 0.04 -0.62 -0.549 -1.08 0.038 0.088061435973353 0.169608719324656 -0.5025 -0.458 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M14 mock treatment -0.153 -0.0236 -0.03 -0.396 -0.325 -0.64 -0.275 -0.224938564026647 -0.433237788477936 -0.6395 -0.8259 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M15 compound treatment -0.329 -0.2 -0.28 -0.04 0.0314 0.06 -0.231 -0.180938564026647 -0.348492592492907 -0.3292 -0.7256 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M16 compound treatment -0.048 0.0814 0.12 0.843 0.914 1.81 0.919 0.969061435973353 1.86643866620671 2.1869 0.8413 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M17 compound treatment -0.623 -0.494 -0.7 -0.229 -0.158 -0.31 -0.606 -0.555938564026647 -1.07075278554713 -1.203 -0.9131 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M18 compound treatment -0.5 -0.371 -0.53 -0.492 -0.421 -0.83 -0.418 -0.367938564026647 -0.70865967542928 -1.1928 -0.984 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M19 compound treatment -0.482 -0.353 -0.5 -0.714 -0.643 -1.27 -0.487 -0.436938564026647 -0.841555550951258 -1.5078 -0.9407 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M20 compound treatment -0.162 -0.0326 -0.05 -0.627 -0.556 -1.1 -0.829 -0.778938564026647 -1.50025684701671 -1.5263 -0.821 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M21 compound treatment 0.108 0.237 0.34 -0.016 0.0554 0.11 -0.239 -0.188938564026647 -0.363900809944731 0.048 0.0944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M22 compound treatment 0.082 0.211 0.3 0.148 0.219 0.43 -0.049 0.00106143597335299 0.00204435453607635 0.4249 0.8057 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M23 compound treatment -0.454 -0.325 -0.46 0.413 0.484 0.96 -0.17 -0.119938564026647 -0.231004934422753 0.1524 0.1403 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 M24 compound treatment -0.518 -0.389 -0.55 -0.309 -0.238 -0.47 -0.275 -0.224938564026647 -0.433237788477936 -0.8399 -0.9947 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N01 compound treatment -0.662 -0.533 -0.76 -0.431 -0.36 -0.71 -0.194 -0.143938564026647 -0.277229586778224 -1.0071 -0.9374 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N02 compound treatment 0.079 0.208 0.3 0.066 0.137 0.27 0.12 0.170061435973353 0.327542948205847 0.5169 0.997 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N03 compound treatment -0.286 -0.157 -0.22 -0.097 -0.0256 -0.05 -0.183 -0.132938564026647 -0.256043287781967 -0.3055 -0.8906 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N04 compound treatment -0.217 -0.0876 -0.12 -0.131 -0.0596 -0.12 0.038 0.088061435973353 0.169608719324656 -0.0419 -0.1737 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N05 compound treatment 1.117 1.25 1.68 0.368 0.439 0.87 0.157 0.207061435973353 0.39880595392053 1.7 0.8805 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N06 compound treatment -0.746 -0.617 -0.88 -0.172 -0.101 -0.2 0.017 0.067061435973353 0.12916214851362 -0.5462 -0.6015 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N07 compound treatment 0.275 0.404 0.57 -0.132 -0.0606 -0.12 0.389 0.439061435973353 0.845644260023411 0.7512 0.7296 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N08 compound treatment 0.025 0.154 0.22 -0.373 -0.302 -0.6 -0.126 -0.075938564026647 -0.146259738437724 -0.3015 -0.4629 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N09 mock treatment -0.763 -0.634 -0.9 -0.309 -0.238 -0.47 -0.587 -0.536938564026647 -1.03415826909905 -1.388 -0.9576 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N10 mock treatment -0.647 -0.518 -0.74 -0.509 -0.438 -0.86 -0.553 -0.502938564026647 -0.968673344928801 -1.483 -0.9939 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N11 compound treatment -0.648 -0.519 -0.74 -0.308 -0.237 -0.47 -0.466 -0.415938564026647 -0.801108980140221 -1.1579 -0.9773 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N12 compound treatment -0.375 -0.246 -0.35 -0.083 -0.0116 -0.02 -0.162 -0.111938564026647 -0.21559671697093 -0.3393 -0.8254 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N13 mock treatment -0.269 -0.14 -0.2 -0.529 -0.458 -0.9 -0.494 -0.443938564026647 -0.855037741221603 -1.1299 -0.897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N14 mock treatment -0.446 -0.317 -0.45 -0.776 -0.705 -1.39 -0.625 -0.574938564026647 -1.10734730199521 -1.7024 -0.9282 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N15 compound treatment -0.533 -0.404 -0.57 -1.29 -1.22 -2.41 -1.284 -1.23393856402665 -2.37659921458917 -3.0926 -0.9016 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N16 compound treatment -0.307 -0.178 -0.25 -0.194 -0.123 -0.24 -0.247 -0.196938564026647 -0.379309027396554 -0.5045 -0.9778 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N17 compound treatment 0.241 0.37 0.53 0.14 0.211 0.42 0.25 0.300061435973353 0.577926481797978 0.8788 0.9914 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N18 compound treatment 0.275 0.404 0.57 0.226 0.297 0.59 0.192 0.242061435973353 0.466216905272258 0.9402 0.995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N19 compound treatment -0.123 0.00641 0.01 0.408 0.479 0.95 0.438 0.488061435973353 0.940019591915829 1.0945 0.8204 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N20 compound treatment -0.276 -0.147 -0.21 -0.138 -0.0666 -0.13 -0.275 -0.224938564026647 -0.433237788477936 -0.4463 -0.8955 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N21 compound treatment -1.579 -1.45 -2.06 -0.404 -0.333 -0.66 -1.028 -0.977938564026647 -1.88353625613082 -2.6565 -0.9262 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N22 compound treatment -0.935 -0.806 -1.15 -0.441 -0.37 -0.73 -0.368 -0.317938564026647 -0.612358316355384 -1.4361 -0.964 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N23 compound treatment -0.626 -0.497 -0.71 -0.039 0.0324 0.06 -0.333 -0.282938564026647 -0.544947365003656 -0.6853 -0.7664 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 N24 compound treatment -0.337 -0.208 -0.3 -0.5 -0.429 -0.85 -0.627 -0.576938564026647 -1.11119935635817 -1.3005 -0.911 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O01 compound treatment -0.354 -0.225 -0.32 0.029 0.1 0.2 -0.258 -0.207938564026647 -0.400495326392811 -0.3011 -0.5482 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O02 compound treatment -0.18 -0.0506 -0.07 0.379 0.45 0.89 0.205 0.255061435973353 0.491255258631471 0.7556 0.7418 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O03 compound treatment 0.068 0.197 0.28 -0.134 -0.0626 -0.12 0.2 0.250061435973353 0.481625122724081 0.3688 0.6459 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O04 compound treatment 0.486 0.615 0.87 0.069 0.14 0.28 0.125 0.175061435973353 0.337173084113236 0.8599 0.8794 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O05 compound treatment -0.266 -0.137 -0.19 -0.133 -0.0616 -0.12 -0.06 -0.009938564026647 -0.0191419444601809 -0.1934 -0.841 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O06 compound treatment -0.134 -0.00459 -0.01 -0.111 -0.0396 -0.08 -0.143 -0.092938564026647 -0.179002200522849 -0.1522 -0.7789 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O07 compound treatment 0.494 0.623 0.89 0.387 0.458 0.91 0.338 0.388061435973353 0.747416873768036 1.4659 0.9966 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O08 compound treatment -0.647 -0.518 -0.74 -0.095 -0.0236 -0.05 0.0 0.050061435973353 0.096419686428495 -0.3961 -0.5326 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O09 compound treatment -0.222 -0.0926 -0.13 -0.437 -0.366 -0.72 -0.382 -0.331938564026647 -0.639322696896075 -0.8619 -0.8856 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O10 compound treatment 0.753 0.882 1.25 0.0 0.0714 0.14 0.292 0.342061435973353 0.658819623420051 1.1861 0.8329 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O11 mock treatment -0.136 -0.00659 -0.01 -0.562 -0.491 -0.97 -1.068 -1.01793856402665 -1.96057734338994 -1.6966 -0.7758 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O12 mock treatment -0.348 -0.219 -0.31 -0.653 -0.582 -1.15 -0.284 -0.233938564026647 -0.450572033111238 -1.1025 -0.8667 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O13 compound treatment 0.238 0.367 0.52 0.186 0.257 0.51 -0.119 -0.068938564026647 -0.132777548167379 0.5184 0.6997 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O14 compound treatment -0.531 -0.402 -0.57 -0.2 -0.129 -0.25 -0.028 0.022061435973353 0.0424909253471129 -0.4517 -0.7212 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O15 compound treatment -0.19 -0.0606 -0.09 -0.246 -0.175 -0.34 -0.113 -0.062938564026647 -0.121221385078511 -0.3187 -0.849 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O16 compound treatment 0.433 0.562 0.8 0.064 0.135 0.27 0.714 0.764061435973353 1.47160309400374 1.4657 0.8642 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O17 compound treatment -0.313 -0.184 -0.26 -0.288 -0.217 -0.43 -0.221 -0.170938564026647 -0.329232320678128 -0.5877 -0.9803 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O18 compound treatment -0.736 -0.607 -0.86 -0.107 -0.0356 -0.07 -0.23 -0.179938564026647 -0.346566565311429 -0.7386 -0.7923 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O19 compound treatment -0.268 -0.139 -0.2 -0.373 -0.302 -0.6 -0.138 -0.087938564026647 -0.16937206461546 -0.5553 -0.8548 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O20 compound treatment -0.538 -0.409 -0.58 -0.229 -0.158 -0.31 -0.338 -0.287938564026647 -0.554577500911046 -0.8352 -0.9697 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O21 compound treatment -0.22 -0.0906 -0.13 0.076 0.147 0.29 -0.569 -0.518938564026647 -0.999489779832448 -0.4833 -0.4608 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O22 compound treatment -0.365 -0.236 -0.33 -0.129 -0.0576 -0.11 -0.378 -0.327938564026647 -0.631618588170163 -0.6237 -0.8615 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O23 compound treatment -0.364 -0.235 -0.33 -0.389 -0.318 -0.63 -0.635 -0.584938564026647 -1.12660757380999 -1.205 -0.9048 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 O24 compound treatment -0.187 -0.0576 -0.08 -0.079 -0.00756 -0.01 -0.836 -0.785938564026647 -1.51373903728706 -0.9299 -0.6133 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P01 compound treatment 0.691 0.82 1.17 0.75 0.821 1.62 -0.378 -0.327938564026647 -0.631618588170163 1.2452 0.5943 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P02 compound treatment -0.685 -0.556 -0.79 -0.314 -0.243 -0.48 -0.277 -0.226938564026647 -0.437089842840892 -0.9849 -0.9638 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P03 compound treatment -0.077 0.0524 0.07 0.139 0.21 0.42 0.2 0.250061435973353 0.481625122724081 0.561 0.8759 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P04 compound treatment -0.105 0.0244 0.03 -0.377 -0.306 -0.6 -0.315 -0.264938564026647 -0.510278875737053 -0.6229 -0.7875 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P05 compound treatment -0.5 -0.371 -0.53 -0.086 -0.0146 -0.03 -0.068 -0.017938564026647 -0.0345501619120044 -0.3408 -0.6444 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P06 compound treatment 0.0 0.129 0.18 0.023 0.0944 0.19 0.455 0.505061435973353 0.972762054000954 0.7755 0.7698 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P07 compound treatment 0.324 0.453 0.64 0.295 0.366 0.72 -0.029 0.021061435973353 0.040564898165635 0.8133 0.8386 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P08 compound treatment -1.883 -1.75 -2.49 -1.492 -1.42 -2.8 -1.571 -1.52093856402665 -2.92936901567334 -4.7502 -0.9978 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P09 compound treatment 0.164 0.293 0.42 -0.037 0.0344 0.07 -0.195 -0.144938564026647 -0.279155613959702 0.1189 0.2348 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P10 compound treatment -0.185 -0.0556 -0.08 -0.386 -0.315 -0.62 0.087 0.137061435973353 0.263984051217075 -0.2518 -0.3706 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P11 mock treatment 0.069 0.198 0.28 -0.091 -0.0196 -0.04 -0.014 0.036061435973353 0.069455305887804 0.1807 0.6165 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P12 mock treatment -0.328 -0.199 -0.28 -0.239 -0.168 -0.33 -0.113 -0.062938564026647 -0.121221385078511 -0.424 -0.9391 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P13 compound treatment -0.036 0.0934 0.13 -0.259 -0.188 -0.37 0.014 0.064061435973353 0.123384066969186 -0.0659 -0.1598 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P14 compound treatment -0.091 0.0384 0.05 -0.093 -0.0216 -0.04 -0.212 -0.161938564026647 -0.311898076044827 -0.1731 -0.5419 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P15 compound treatment -0.187 -0.0576 -0.08 -0.25 -0.179 -0.35 -0.179 -0.128938564026647 -0.248339179056055 -0.3942 -0.8981 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P16 compound treatment -0.137 -0.00759 -0.01 0.865 0.936 1.85 0.074 0.124061435973353 0.238945697857862 1.1993 0.6432 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P17 compound treatment 0.589 0.718 1.02 0.5 0.571 1.13 0.203 0.253061435973353 0.487403204268515 1.5226 0.9527 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P18 compound treatment 0.114 0.243 0.35 -0.044 0.0274 0.05 0.133 0.183061435973353 0.35258130156506 0.4346 0.8745 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P19 compound treatment -0.534 -0.405 -0.58 -0.419 -0.348 -0.69 -0.536 -0.485938564026647 -0.935930882843676 -1.2687 -0.9794 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P20 compound treatment -0.386 -0.257 -0.36 -0.219 -0.148 -0.29 -0.135 -0.084938564026647 -0.163593983071026 -0.4733 -0.9567 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P21 compound treatment 0.148 0.277 0.39 -0.127 -0.0556 -0.11 0.384 0.434061435973353 0.836014124116021 0.647 0.6951 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P22 compound treatment -0.259 -0.13 -0.18 -0.143 -0.0716 -0.14 -0.394 -0.343938564026647 -0.66243502307381 -0.5704 -0.8126 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P23 compound treatment -0.407 -0.278 -0.39 -0.874 -0.803 -1.58 -0.944 -0.893938564026647 -1.72174997288667 -2.1368 -0.9005 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2291 P24 compound treatment 0.0 0.129 0.18 0.028 0.0994 0.2 -0.015 0.035061435973353 0.067529278706326 0.2586 0.9321 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A01 compound treatment -0.522 -0.393 -0.56 -0.157 -0.0856 -0.17 -0.2 -0.149938564026647 -0.288785749867091 -0.5865 -0.9013 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A02 compound treatment -0.458 -0.329 -0.47 0.032 0.103 0.2 -0.314 -0.263938564026647 -0.508352848555576 -0.4453 -0.6185 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A03 compound treatment 0.825 0.954 1.36 0.137 0.208 0.41 0.644 0.694061435973353 1.33678119130028 1.7928 0.92 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A04 compound treatment 0.247 0.376 0.54 0.448 0.519 1.03 0.576 0.626061435973353 1.20581134295978 1.5973 0.9559 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A05 compound treatment 0.37 0.499 0.71 -0.267 -0.196 -0.39 0.417 0.467061435973353 0.899573021104793 0.7064 0.5841 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A06 compound treatment -0.986 -0.857 -1.22 -0.468 -0.397 -0.78 -0.158 -0.107938564026647 -0.207892608245018 -1.2752 -0.8718 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A07 compound treatment -0.398 -0.269 -0.38 -0.097 -0.0256 -0.05 0.133 0.183061435973353 0.35258130156506 -0.0461 -0.0882 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A08 compound treatment -0.218 -0.0886 -0.13 0.556 0.627 1.24 0.584 0.634061435973353 1.22121956041161 1.3476 0.7726 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A09 compound treatment -0.267 -0.138 -0.2 -0.043 0.0284 0.06 0.039 0.089061435973353 0.171534746506134 0.0185 0.0695 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A10 compound treatment -0.032 0.0974 0.14 -0.221 -0.15 -0.3 -0.275 -0.224938564026647 -0.433237788477936 -0.3407 -0.6282 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A11 compound treatment -0.725 -0.596 -0.85 0.629 0.7 1.38 -0.129 -0.078938564026647 -0.152037819982158 0.2218 0.1362 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A12 compound treatment -0.579 -0.45 -0.64 -0.475 -0.404 -0.8 -0.32 -0.269938564026647 -0.519909011644443 -1.1293 -0.9852 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A13 mock treatment -0.417 -0.288 -0.41 0.135 0.206 0.41 -0.756 -0.705938564026647 -1.35965686276882 -0.7857 -0.5319 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A14 mock treatment -0.232 -0.103 -0.15 -0.064 0.00744 0.01 -0.236 -0.185938564026647 -0.358122728400297 -0.2825 -0.73 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A15 compound treatment -0.612 -0.483 -0.69 -0.143 -0.0716 -0.14 -0.351 -0.300938564026647 -0.579615854270259 -0.8124 -0.8935 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A16 compound treatment -0.802 -0.673 -0.96 -0.585 -0.514 -1.01 -0.75 -0.699938564026647 -1.34810069967995 -1.9159 -0.988 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A17 compound treatment 0.198 0.327 0.47 -0.037 0.0344 0.07 0.373 0.423061435973353 0.814827825119764 0.7785 0.8274 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A18 compound treatment -0.5 -0.371 -0.53 -0.323 -0.252 -0.5 0.11 0.160061435973353 0.308282676391067 -0.413 -0.5248 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A19 compound treatment 0.1 0.229 0.33 -0.086 -0.0146 -0.03 -0.333 -0.282938564026647 -0.544947365003656 -0.1429 -0.2248 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A20 compound treatment 0.149 0.278 0.4 -0.167 -0.0956 -0.19 -0.039 0.011061435973353 0.0213046263508557 0.1319 0.3004 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A21 compound treatment -0.078 0.0514 0.07 -0.057 0.0144 0.03 0.065 0.115061435973353 0.221611453224561 0.1866 0.7938 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A22 compound treatment 0.478 0.607 0.86 0.13 0.201 0.4 0.94 0.990061435973353 1.90688523701775 1.8292 0.8585 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A23 compound treatment -0.221 -0.0916 -0.13 0.202 0.273 0.54 0.506 0.556061435973353 1.07098944025633 0.8549 0.7086 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 A24 compound treatment -0.494 -0.365 -0.52 2.286 2.36 2.9 1.76 1.81006143597335 2.56279157071156 2.8539 0.7311 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B01 compound treatment -0.531 -0.402 -0.57 -0.017 0.0544 0.11 -0.127 -0.076938564026647 -0.148185765619202 -0.3531 -0.589 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B02 compound treatment -0.125 0.00441 0.01 0.288 0.359 0.71 0.367 0.417061435973353 0.803271662030896 0.8771 0.8183 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B03 compound treatment -0.255 -0.126 -0.18 0.234 0.305 0.6 -0.042 0.00806143597335299 0.0155265448064219 0.2541 0.4038 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B04 compound treatment -0.691 -0.562 -0.8 -0.134 -0.0626 -0.12 -0.487 -0.436938564026647 -0.841555550951258 -1.0182 -0.8728 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B05 compound treatment 0.557 0.686 0.98 -0.053 0.0184 0.04 0.307 0.357061435973353 0.68771003114222 0.9815 0.8217 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B06 compound treatment -0.746 -0.617 -0.88 -0.03 0.0414 0.08 -0.034 0.016061435973353 0.0309347622582453 -0.441 -0.5006 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B07 compound treatment -0.25 -0.121 -0.17 -0.104 -0.0326 -0.06 -0.106 -0.055938564026647 -0.107739194808166 -0.1983 -0.9334 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B08 compound treatment -0.59 -0.461 -0.65 -0.321 -0.25 -0.49 -0.62 -0.569938564026647 -1.09771716608782 -1.2963 -0.9463 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B09 compound treatment 0.171 0.3 0.43 -0.464 -0.393 -0.78 -0.24 -0.189938564026647 -0.365826837126209 -0.4121 -0.4304 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B10 compound treatment -0.202 -0.0726 -0.1 -0.627 -0.556 -1.1 -0.645 -0.594938564026647 -1.14586784562477 -1.3545 -0.8521 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B11 compound treatment 0.071 0.2 0.28 0.586 0.657 1.3 -0.919 -0.868938564026647 -1.67359929334972 -0.0523 -0.0245 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B12 compound treatment -0.221 -0.0916 -0.13 -0.574 -0.503 -0.99 -0.545 -0.494938564026647 -0.953265127476978 -1.1985 -0.8671 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B13 mock treatment -0.271 -0.142 -0.2 -0.426 -0.355 -0.7 -0.448 -0.397938564026647 -0.766440490873618 -0.9629 -0.9107 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B14 mock treatment -0.507 -0.378 -0.54 -0.746 -0.675 -1.33 -0.592 -0.541938564026647 -1.04378840500644 -1.6816 -0.9472 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B15 compound treatment -0.872 -0.743 -1.06 -0.719 -0.648 -1.28 -0.082 -0.031938564026647 -0.0615145424526954 -1.3833 -0.8336 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B16 compound treatment -1.012 -0.883 -1.25 0.206 0.277 0.55 0.311 0.361061435973353 0.695414139868132 -0.0067 -0.0044 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B17 compound treatment -0.226 -0.0966 -0.14 -0.393 -0.322 -0.63 -0.014 0.036061435973353 0.069455305887804 -0.4058 -0.6211 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B18 compound treatment -0.429 -0.3 -0.43 0.162 0.233 0.46 0.027 0.077061435973353 0.148422420328399 0.1059 0.1642 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B19 compound treatment -0.073 0.0564 0.08 -0.294 -0.223 -0.44 -0.062 -0.011938564026647 -0.0229939988231368 -0.2207 -0.4934 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B20 compound treatment -0.423 -0.294 -0.42 -0.296 -0.225 -0.44 -0.536 -0.485938564026647 -0.935930882843676 -1.0374 -0.929 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B21 compound treatment -0.052 0.0774 0.11 0.175 0.246 0.49 0.329 0.379061435973353 0.730082629134735 0.766 0.8663 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B22 compound treatment -0.048 0.0814 0.12 -0.131 -0.0596 -0.12 -0.307 -0.256938564026647 -0.49487065828523 -0.2868 -0.5498 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B23 compound treatment -0.575 -0.446 -0.63 -0.479 -0.408 -0.8 -0.568 -0.517938564026647 -0.99756375265097 -1.4063 -0.9836 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 B24 compound treatment -0.056 0.0734 0.1 0.443 0.514 1.02 0.402 0.452061435973353 0.870682613382624 1.1494 0.8565 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C01 compound treatment 0.5 0.629 0.89 0.184 0.255 0.5 0.6 0.650061435973353 1.25203599531525 1.5307 0.9452 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C02 compound treatment -0.118 0.0114 0.02 -0.218 -0.147 -0.29 -0.07 -0.019938564026647 -0.0384022162749602 -0.1799 -0.6153 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C03 compound treatment 0.092 0.221 0.31 0.443 0.514 1.02 0.041 0.091061435973353 0.17538680086909 0.8695 0.8067 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C04 compound treatment -0.312 -0.183 -0.26 -0.137 -0.0656 -0.13 -0.3 -0.249938564026647 -0.481388468014885 -0.5026 -0.8942 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C05 compound treatment -0.381 -0.252 -0.36 -0.259 -0.188 -0.37 -0.125 -0.074938564026647 -0.144333711256246 -0.5037 -0.9419 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C06 compound treatment -0.874 -0.745 -1.06 -0.156 -0.0846 -0.17 0.032 0.082061435973353 0.158052556235789 -0.6164 -0.569 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C07 compound treatment -0.38 -0.251 -0.36 -0.226 -0.155 -0.31 -0.268 -0.217938564026647 -0.419755598207591 -0.6242 -0.9917 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C08 compound treatment 0.32 0.449 0.64 0.083 0.154 0.3 0.397 0.447061435973353 0.861052477475234 1.0421 0.9348 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C09 compound treatment 0.37 0.499 0.71 0.0 0.0714 0.14 0.114 0.164061435973353 0.315986785116979 0.6738 0.8531 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C10 compound treatment -0.317 -0.188 -0.27 -1.095 -1.02 -2.02 -1.519 -1.46893856402665 -2.82921560223648 -2.9543 -0.8472 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C11 mock treatment -0.457 -0.328 -0.47 -0.587 -0.516 -1.02 -1.013 -0.962938564026647 -1.85464584840865 -1.9274 -0.8897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C12 mock treatment -0.422 -0.293 -0.42 -0.753 -0.682 -1.35 -0.857 -0.806938564026647 -1.55418560809809 -1.9145 -0.9127 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C13 compound treatment -0.585 -0.456 -0.65 -0.186 -0.115 -0.23 -0.079 -0.028938564026647 -0.0557364609082616 -0.5368 -0.7797 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C14 compound treatment -0.286 -0.157 -0.22 -0.319 -0.248 -0.49 -0.123 -0.072938564026647 -0.140481656893291 -0.4919 -0.8859 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C15 mock treatment -0.022 0.107 0.15 -0.061 0.0104 0.02 -0.471 -0.420938564026647 -0.810739116047611 -0.368 -0.4459 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C16 mock treatment -0.921 -0.792 -1.13 -0.554 -0.483 -0.95 -0.721 -0.670938564026647 -1.29224591141709 -1.946 -0.9925 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C17 compound treatment -0.016 0.113 0.16 -0.098 -0.0266 -0.05 -0.18 -0.129938564026647 -0.250265206237533 -0.0817 -0.2702 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C18 compound treatment 0.55 0.679 0.97 1.092 1.16 2.2 0.238 0.288061435973353 0.554814155620243 2.1483 0.8711 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C19 compound treatment 0.6 0.729 1.04 0.258 0.329 0.65 0.478 0.528061435973353 1.01706067917495 1.5615 0.9811 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C20 compound treatment -0.239 -0.11 -0.16 -0.014 0.0574 0.11 -0.371 -0.320938564026647 -0.618136397899818 -0.3814 -0.589 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C21 compound treatment 0.169 0.298 0.42 -0.475 -0.404 -0.8 -0.133 -0.082938564026647 -0.15974192870807 -0.3073 -0.3352 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C22 compound treatment 0.035 0.164 0.23 -0.329 -0.258 -0.51 -0.548 -0.497938564026647 -0.959043209021412 -0.7124 -0.6415 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C23 compound treatment -0.783 -0.654 -0.93 -1.326 -1.25 -2.48 -1.87 -1.81993856402665 -3.50525114293524 -3.9905 -0.9086 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 C24 compound treatment -0.508 -0.379 -0.54 -0.39 -0.319 -0.63 -1.167 -1.11693856402665 -2.15125403435625 -1.916 -0.8312 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D01 compound treatment -0.4 -0.271 -0.38 0.026 0.0974 0.19 0.168 0.218061435973353 0.419992252916788 0.1314 0.2186 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D02 compound treatment 0.604 0.733 1.04 0.844 0.915 1.81 0.478 0.528061435973353 1.01706067917495 2.2328 0.9618 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D03 compound treatment -0.696 -0.567 -0.81 -0.554 -0.483 -0.95 -0.145 -0.094938564026647 -0.182854254885805 -1.1208 -0.8888 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D04 compound treatment 0.125 0.254 0.36 -0.147 -0.0756 -0.15 0.463 0.513061435973353 0.988170271452777 0.6932 0.6522 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D05 compound treatment 0.241 0.37 0.53 0.014 0.0854 0.17 0.1 0.150061435973353 0.289022404576288 0.5683 0.9108 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D06 compound treatment -0.023 0.106 0.15 -0.266 -0.195 -0.38 0.096 0.146061435973353 0.281318295850376 0.028 0.056 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D07 compound treatment -0.308 -0.179 -0.25 0.029 0.1 0.2 -0.614 -0.563938564026647 -1.08616100299896 -0.6592 -0.5818 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D08 compound treatment 0.741 0.87 1.24 0.912 0.983 1.94 0.772 0.822061435973353 1.58331267052946 2.7497 0.984 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D09 compound treatment 0.667 0.796 1.13 0.554 0.625 1.23 -0.167 -0.116938564026647 -0.22522685287832 1.2367 0.7315 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D10 compound treatment -0.474 -0.345 -0.49 -0.671 -0.6 -1.18 -0.557 -0.506938564026647 -0.976377453654713 -1.5301 -0.9499 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D11 mock treatment -0.113 0.0164 0.02 -0.036 0.0354 0.07 -0.122 -0.071938564026647 -0.138555629711813 -0.0261 -0.1665 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D12 mock treatment 0.063 0.192 0.27 -0.203 -0.132 -0.26 -0.284 -0.233938564026647 -0.450572033111238 -0.2522 -0.4291 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D13 compound treatment -0.312 -0.183 -0.26 -0.056 0.0154 0.03 0.22 0.270061435973353 0.52014566635364 0.168 0.2886 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D14 compound treatment -0.023 0.106 0.15 0.091 0.162 0.32 0.077 0.127061435973353 0.244723779402296 0.4138 0.9604 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D15 mock treatment -0.488 -0.359 -0.51 -0.25 -0.179 -0.35 -0.255 -0.204938564026647 -0.394717244848378 -0.7258 -0.9877 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D16 mock treatment -0.729 -0.6 -0.85 -0.268 -0.197 -0.39 -0.481 -0.430938564026647 -0.82999938786239 -1.1955 -0.9552 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D17 compound treatment 0.037 0.166 0.24 0.529 0.6 1.19 0.197 0.247061435973353 0.475847041179648 1.0958 0.8434 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D18 compound treatment -0.021 0.108 0.15 -0.423 -0.352 -0.69 -0.387 -0.336938564026647 -0.648952832803465 -0.6865 -0.7131 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D19 compound treatment 0.284 0.413 0.59 -0.157 -0.0856 -0.17 -0.293 -0.242938564026647 -0.467906277744539 -0.0283 -0.0368 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D20 compound treatment -0.425 -0.296 -0.42 0.183 0.254 0.5 -0.127 -0.076938564026647 -0.148185765619202 -0.0381 -0.0568 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D21 compound treatment 0.18 0.309 0.44 -0.052 0.0194 0.04 -0.096 -0.045938564026647 -0.0884789229933864 0.2251 0.4997 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D22 compound treatment 0.145 0.274 0.39 0.214 0.285 0.56 0.118 0.168061435973353 0.323690893842891 0.7375 0.9729 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D23 compound treatment -0.058 0.0714 0.1 -0.262 -0.191 -0.38 0.5 0.550061435973353 1.05943327716746 0.453 0.4013 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 D24 compound treatment -0.048 0.0814 0.12 -0.208 -0.137 -0.27 -0.277 -0.226938564026647 -0.437089842840892 -0.3412 -0.6481 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E01 mock treatment -0.7 -0.571 -0.81 -0.164 -0.0926 -0.18 0.296 0.346061435973353 0.666523732145963 -0.1891 -0.1774 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E02 mock treatment -0.758 -0.629 -0.89 -0.397 -0.326 -0.64 -0.324 -0.273938564026647 -0.527613120370355 -1.1917 -0.9762 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E03 compound treatment -0.171 -0.0416 -0.06 -0.254 -0.183 -0.36 0.04 0.090061435973353 0.173460773687612 -0.1421 -0.3514 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E04 compound treatment -0.632 -0.503 -0.71 -0.283 -0.212 -0.42 -0.514 -0.463938564026647 -0.893558284851162 -1.1696 -0.9603 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E05 compound treatment -0.961 -0.832 -1.18 -0.338 -0.267 -0.53 -1.278 -1.22793856402665 -2.3650430515003 -2.352 -0.8724 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E06 compound treatment -1.333 -1.2 -1.71 -0.527 -0.456 -0.9 -0.274 -0.223938564026647 -0.431311761296458 -1.7563 -0.8867 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E07 compound treatment -0.477 -0.348 -0.49 -0.354 -0.283 -0.56 -0.329 -0.278938564026647 -0.537243256277745 -0.9176 -0.9987 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E08 compound treatment -0.235 -0.106 -0.15 1.547 1.62 2.54 1.151 1.20106143597335 2.15736071692983 2.623 0.787 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E09 mock treatment -0.21 -0.0806 -0.11 0.0 0.0714 0.14 -0.139 -0.088938564026647 -0.171298091796938 -0.0836 -0.3348 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E10 mock treatment -0.253 -0.124 -0.18 -0.246 -0.175 -0.34 -0.179 -0.128938564026647 -0.248339179056055 -0.4438 -0.9654 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E11 compound treatment -0.176 -0.0466 -0.07 -0.373 -0.302 -0.6 -0.942 -0.891938564026647 -1.71789791852372 -1.3739 -0.7551 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E12 compound treatment 1.453 1.58 1.85 -0.306 -0.235 -0.46 -0.5 -0.449938564026647 -0.866593904310471 0.3007 0.1435 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E13 compound treatment -1.056 -0.927 -1.32 -0.5 -0.429 -0.85 -0.435 -0.384938564026647 -0.741402137514405 -1.6772 -0.9681 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E14 compound treatment -0.457 -0.328 -0.47 -0.413 -0.342 -0.67 -0.071 -0.020938564026647 -0.0403282434564381 -0.6816 -0.8306 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E15 compound treatment -0.054 0.0754 0.11 -0.068 0.00344 0.01 0.342 0.392061435973353 0.755120982493948 0.5018 0.6579 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E16 compound treatment 0.357 0.486 0.69 0.621 0.692 1.37 0.61 0.660061435973353 1.27129626713003 1.9226 0.9657 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E17 mock treatment -0.293 -0.164 -0.23 0.286 0.357 0.71 -0.393 -0.342938564026647 -0.660508995892332 -0.1082 -0.1088 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E18 mock treatment -0.762 -0.633 -0.9 -0.507 -0.436 -0.86 -0.366 -0.315938564026647 -0.608506261992428 -1.3671 -0.9869 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E19 compound treatment -0.016 0.113 0.16 0.548 0.619 1.22 0.186 0.236061435973353 0.45466074218339 1.0617 0.8075 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E20 compound treatment 0.951 1.08 1.54 -0.043 0.0284 0.06 -0.291 -0.240938564026647 -0.464054223381583 0.6514 0.4057 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E21 compound treatment -0.099 0.0304 0.04 0.037 0.108 0.21 0.275 0.325061435973353 0.626077161334926 0.51 0.7692 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E22 compound treatment -0.076 0.0534 0.08 -0.315 -0.244 -0.48 -0.368 -0.317938564026647 -0.612358316355384 -0.5874 -0.7508 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E23 compound treatment -1.136 -1.01 -1.43 -0.062 0.00944 0.02 -0.153 -0.102938564026647 -0.198262472337629 -0.93 -0.6436 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 E24 compound treatment -0.423 -0.294 -0.42 -0.544 -0.473 -0.93 -0.721 -0.670938564026647 -1.29224591141709 -1.5258 -0.926 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F01 mock treatment -0.533 -0.404 -0.57 -0.439 -0.368 -0.73 -0.667 -0.616938564026647 -1.18824044361729 -1.4363 -0.9538 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F02 mock treatment -0.622 -0.493 -0.7 -0.262 -0.191 -0.38 -0.026 0.024061435973353 0.0463429797100688 -0.5948 -0.7469 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F03 compound treatment -0.053 0.0764 0.11 0.603 0.674 1.33 0.319 0.369061435973353 0.710822357319955 1.242 0.8206 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F04 compound treatment -0.675 -0.546 -0.78 0.063 0.134 0.27 -0.271 -0.220938564026647 -0.425533679752025 -0.5403 -0.5849 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F05 compound treatment -0.5 -0.371 -0.53 -0.048 0.0234 0.05 -0.028 0.022061435973353 0.0424909253471129 -0.253 -0.4767 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F06 compound treatment -0.103 0.0264 0.04 -0.197 -0.126 -0.25 -0.091 -0.040938564026647 -0.0788487870859968 -0.167 -0.6353 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F07 compound treatment 0.737 0.866 1.23 1.298 1.37 2.37 0.805 0.855061435973353 1.64687156751823 3.0287 0.9659 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F08 compound treatment -0.333 -0.204 -0.29 -0.08 -0.00856 -0.02 -0.254 -0.203938564026647 -0.3927912176669 -0.4037 -0.8268 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F09 mock treatment 0.076 0.205 0.29 -0.298 -0.227 -0.45 0.013 0.063061435973353 0.121458039787708 -0.0195 -0.0357 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F10 mock treatment 0.04 0.169 0.24 -0.435 -0.364 -0.72 -0.519 -0.468938564026647 -0.903188420758552 -0.7969 -0.6761 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F11 compound treatment -0.192 -0.0626 -0.09 -0.094 -0.0226 -0.04 -0.408 -0.357938564026647 -0.689399403614501 -0.4751 -0.6821 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F12 compound treatment 0.154 0.283 0.4 0.074 0.145 0.29 0.205 0.255061435973353 0.491255258631471 0.6821 0.9782 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F13 compound treatment -0.492 -0.363 -0.52 -0.049 0.0224 0.04 0.029 0.079061435973353 0.152274474691355 -0.1841 -0.3414 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F14 compound treatment 0.789 0.918 1.31 0.774 0.845 1.67 0.423 0.473061435973353 0.91112918419366 2.2437 0.9726 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F15 compound treatment -0.324 -0.195 -0.28 0.813 0.884 1.75 0.623 0.673061435973353 1.29633462048925 1.597 0.7284 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F16 compound treatment 0.671 0.8 1.14 0.823 0.894 1.77 0.778 0.828061435973353 1.59486883361833 2.5975 0.9847 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F17 mock treatment -0.869 -0.74 -1.05 -0.698 -0.627 -1.24 -0.573 -0.522938564026647 -1.00719388855836 -1.9029 -0.9959 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F18 mock treatment 0.015 0.144 0.21 0.351 0.422 0.83 0.271 0.321061435973353 0.618373052609015 0.9571 0.9043 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F19 compound treatment -0.862 -0.733 -1.04 -0.784 -0.713 -1.41 -0.659 -0.608938564026647 -1.17283222616546 -2.0908 -0.9923 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F20 compound treatment 0.079 0.208 0.3 -0.222 -0.151 -0.3 -0.231 -0.180938564026647 -0.348492592492907 -0.2018 -0.3698 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F21 compound treatment 0.229 0.358 0.51 0.719 0.79 1.56 0.733 0.783061435973353 1.50819761045182 2.0661 0.9267 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F22 compound treatment -0.096 0.0334 0.05 -0.254 -0.183 -0.36 -0.329 -0.278938564026647 -0.537243256277745 -0.4909 -0.7567 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F23 compound treatment -0.177 -0.0476 -0.07 -0.297 -0.226 -0.45 -0.658 -0.607938564026647 -1.17090619898398 -0.9722 -0.7749 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 F24 compound treatment 0.046 0.175 0.25 -0.703 -0.632 -1.25 -0.629 -0.578938564026647 -1.11505141072112 -1.2198 -0.7212 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G01 compound treatment -0.443 -0.314 -0.45 0.072 0.143 0.28 -0.231 -0.180938564026647 -0.348492592492907 -0.2951 -0.4663 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G02 compound treatment -0.267 -0.138 -0.2 -0.187 -0.116 -0.23 -0.137 -0.086938564026647 -0.167446037433982 -0.3414 -0.9922 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G03 mock treatment -0.608 -0.479 -0.68 -0.323 -0.252 -0.5 -0.235 -0.184938564026647 -0.356196701218819 -0.8853 -0.9679 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G04 mock treatment -0.746 -0.617 -0.88 -0.719 -0.648 -1.28 -0.672 -0.621938564026647 -1.19787057952468 -1.9359 -0.9882 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G05 compound treatment 0.0 0.129 0.18 -0.339 -0.268 -0.53 -0.034 0.016061435973353 0.0309347622582453 -0.1809 -0.3229 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G06 compound treatment -0.019 0.11 0.16 0.016 0.0874 0.17 -0.291 -0.240938564026647 -0.464054223381583 -0.0776 -0.1494 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G07 compound treatment -0.153 -0.0236 -0.03 0.118 0.189 0.37 0.219 0.269061435973353 0.518219639172162 0.4958 0.7747 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G08 compound treatment -0.456 -0.327 -0.46 -0.121 -0.0496 -0.1 -0.171 -0.120938564026647 -0.232930961604231 -0.4591 -0.8684 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G09 compound treatment 0.048 0.177 0.25 -0.185 -0.114 -0.22 0.027 0.077061435973353 0.148422420328399 0.1019 0.2763 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G10 compound treatment -0.095 0.0344 0.05 -0.167 -0.0956 -0.19 -0.667 -0.616938564026647 -1.18824044361729 -0.7667 -0.6368 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G11 compound treatment -0.697 -0.568 -0.81 -0.729 -0.658 -1.3 -0.843 -0.792938564026647 -1.5272212275574 -2.0973 -0.9706 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G12 compound treatment -0.783 -0.654 -0.93 -0.354 -0.283 -0.56 -1.068 -1.01793856402665 -1.96057734338994 -1.9906 -0.8886 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G13 compound treatment -0.548 -0.419 -0.6 -0.125 -0.0536 -0.11 -0.415 -0.364938564026647 -0.702881593884847 -0.8105 -0.8743 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G14 compound treatment -0.356 -0.227 -0.32 -0.254 -0.183 -0.36 -0.236 -0.185938564026647 -0.358122728400297 -0.6009 -0.9987 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G15 compound treatment 0.797 0.926 1.32 0.242 0.313 0.62 0.299 0.349061435973353 0.672301813690397 1.5059 0.9394 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G16 compound treatment -0.823 -0.694 -0.99 -0.484 -0.413 -0.81 -0.569 -0.518938564026647 -0.999489779832448 -1.6167 -0.996 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G17 compound treatment -0.441 -0.312 -0.44 -0.508 -0.437 -0.86 -0.403 -0.352938564026647 -0.679769267707112 -1.1459 -0.968 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G18 compound treatment -0.705 -0.576 -0.82 -0.214 -0.143 -0.28 -0.159 -0.108938564026647 -0.209818635426496 -0.7561 -0.8491 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G19 mock treatment -0.537 -0.408 -0.58 -0.606 -0.535 -1.06 -0.143 -0.092938564026647 -0.179002200522849 -1.0473 -0.8603 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G20 mock treatment -0.304 -0.175 -0.25 -0.389 -0.318 -0.63 -0.139 -0.088938564026647 -0.171298091796938 -0.6042 -0.8684 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G21 compound treatment -0.032 0.0974 0.14 0.04 0.111 0.22 -0.085 -0.034938564026647 -0.0672926239971292 0.1681 0.6261 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G22 compound treatment 0.097 0.226 0.32 -0.329 -0.258 -0.51 -0.154 -0.103938564026647 -0.200188499519106 -0.2233 -0.3521 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G23 compound treatment -0.612 -0.483 -0.69 -0.225 -0.154 -0.3 -0.363 -0.312938564026647 -0.602728180447994 -0.9192 -0.9552 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 G24 compound treatment -0.455 -0.326 -0.46 -0.144 -0.0726 -0.14 -1.155 -1.10493856402665 -2.12814170817852 -1.5787 -0.7233 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H01 compound treatment -0.286 -0.157 -0.22 0.014 0.0854 0.17 0.443 0.493061435973353 0.949649727823219 0.5171 0.5224 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H02 compound treatment 0.136 0.265 0.38 0.297 0.368 0.73 0.182 0.232061435973353 0.446956633457479 0.8959 0.9598 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H03 mock treatment -0.136 -0.00659 -0.01 -0.182 -0.111 -0.22 -0.091 -0.040938564026647 -0.0788487870859968 -0.177 -0.7618 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H04 mock treatment -0.49 -0.361 -0.51 -0.493 -0.422 -0.83 -0.517 -0.466938564026647 -0.899336366395596 -1.2958 -0.9755 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H05 compound treatment -0.161 -0.0316 -0.04 -0.119 -0.0476 -0.09 -0.161 -0.110938564026647 -0.213670689789452 -0.2035 -0.8563 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H06 compound treatment 0.098 0.227 0.32 -0.571 -0.5 -0.99 -0.681 -0.630938564026647 -1.21520482415798 -1.0844 -0.6785 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H07 compound treatment 0.375 0.504 0.72 -0.14 -0.0686 -0.14 -0.333 -0.282938564026647 -0.544947365003656 0.0213 0.0233 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H08 compound treatment -0.831 -0.702 -1.0 -0.052 0.0194 0.04 0.045 0.095061435973353 0.183090909595002 -0.448 -0.4415 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H09 compound treatment 0.241 0.37 0.53 -0.529 -0.458 -0.9 -0.043 0.007061435973353 0.013600517624944 -0.2097 -0.2005 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H10 compound treatment -0.618 -0.489 -0.69 -0.341 -0.27 -0.53 -0.297 -0.246938564026647 -0.475610386470451 -0.983 -0.9869 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H11 compound treatment -0.019 0.11 0.16 0.293 0.364 0.72 0.235 0.285061435973353 0.549036074075809 0.8231 0.896 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H12 compound treatment -0.016 0.113 0.16 0.878 0.949 1.87 0.924 0.974061435973353 1.8760688021141 2.2586 0.85 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H13 compound treatment -0.191 -0.0616 -0.09 -0.153 -0.0816 -0.16 0.409 0.459061435973353 0.884164803652969 0.3669 0.4064 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H14 compound treatment -0.349 -0.22 -0.31 0.635 0.706 1.39 0.422 0.472061435973353 0.909203157012182 1.15 0.6789 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H15 compound treatment -0.391 -0.262 -0.37 -0.342 -0.271 -0.53 -0.125 -0.074938564026647 -0.144333711256246 -0.6065 -0.9096 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H16 compound treatment -0.288 -0.159 -0.23 -0.155 -0.0836 -0.16 -0.069 -0.018938564026647 -0.0364761890934823 -0.2465 -0.8748 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H17 compound treatment -0.119 0.0104 0.01 0.178 0.249 0.49 -0.164 -0.113938564026647 -0.219448771333886 0.1662 0.3081 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H18 compound treatment -0.159 -0.0296 -0.04 0.0 0.0714 0.14 -0.176 -0.125938564026647 -0.242561097511621 -0.0829 -0.2922 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H19 mock treatment 0.275 0.404 0.57 -0.563 -0.492 -0.97 0.103 0.153061435973353 0.294800486120722 -0.0582 -0.0499 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H20 mock treatment -0.242 -0.113 -0.16 -0.19 -0.119 -0.23 -0.029 0.021061435973353 0.040564898165635 -0.2042 -0.7126 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H21 compound treatment 0.0 0.129 0.18 -0.67 -0.599 -1.18 -0.449 -0.398938564026647 -0.768366518055096 -1.0197 -0.7173 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H22 compound treatment -0.35 -0.221 -0.31 -0.235 -0.164 -0.32 -0.11 -0.059938564026647 -0.115443303534077 -0.4342 -0.9342 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H23 compound treatment 0.039 0.168 0.24 -0.024 0.0474 0.09 -0.129 -0.078938564026647 -0.152037819982158 0.1045 0.35 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 H24 compound treatment 1.031 1.16 1.63 -0.041 0.0304 0.06 -0.329 -0.278938564026647 -0.537243256277745 0.6631 0.3871 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I01 compound treatment -0.264 -0.135 -0.19 -0.294 -0.223 -0.44 -0.06 -0.009938564026647 -0.0191419444601809 -0.3753 -0.7823 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I02 compound treatment -0.141 -0.0116 -0.02 -0.051 0.0204 0.04 -0.338 -0.287938564026647 -0.554577500911046 -0.3064 -0.5508 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I03 compound treatment -0.179 -0.0496 -0.07 -0.27 -0.199 -0.39 -0.097 -0.046938564026647 -0.0904049501748644 -0.3193 -0.7816 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I04 compound treatment -0.541 -0.412 -0.59 -0.508 -0.437 -0.86 -0.513 -0.462938564026647 -0.891632257669684 -1.3503 -0.9847 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I05 mock treatment -0.179 -0.0496 -0.07 0.017 0.0884 0.17 -0.062 -0.011938564026647 -0.0229939988231368 0.0468 0.2469 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I06 mock treatment -0.443 -0.314 -0.45 -0.653 -0.582 -1.15 -0.073 -0.022938564026647 -0.044180297819394 -0.9459 -0.7674 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I07 compound treatment -0.456 -0.327 -0.46 -0.349 -0.278 -0.55 -0.368 -0.317938564026647 -0.612358316355384 -0.938 -0.9938 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I08 compound treatment -0.209 -0.0796 -0.11 0.342 0.413 0.82 0.312 0.362061435973353 0.69734016704961 0.8086 0.749 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I09 compound treatment -0.286 -0.157 -0.22 -0.115 -0.0436 -0.09 -0.09 -0.039938564026647 -0.0769227599045188 -0.2226 -0.8877 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I10 compound treatment -0.372 -0.243 -0.34 -0.411 -0.34 -0.67 -0.408 -0.357938564026647 -0.689399403614501 -0.9843 -0.9634 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I11 compound treatment -0.543 -0.414 -0.59 -0.295 -0.224 -0.44 0.111 0.161061435973353 0.310208703572545 -0.4153 -0.5203 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I12 compound treatment -0.827 -0.698 -0.99 -0.033 0.0384 0.08 0.059 0.109061435973353 0.210055290135693 -0.4075 -0.4009 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I13 compound treatment -0.147 -0.0176 -0.03 0.0 0.0714 0.14 0.079 0.129061435973353 0.248575833765252 0.2105 0.7338 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I14 compound treatment -0.097 0.0324 0.05 -0.491 -0.42 -0.83 -0.192 -0.141938564026647 -0.273377532415268 -0.6095 -0.6977 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I15 compound treatment -0.418 -0.289 -0.41 -0.427 -0.356 -0.7 0.0 0.050061435973353 0.096419686428495 -0.5866 -0.7163 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I16 compound treatment -0.375 -0.246 -0.35 -0.125 -0.0536 -0.11 -0.247 -0.196938564026647 -0.379309027396554 -0.4817 -0.9152 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I17 compound treatment -0.592 -0.463 -0.66 -0.311 -0.24 -0.47 -0.345 -0.294938564026647 -0.568059691181391 -0.9808 -0.9912 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I18 compound treatment -0.545 -0.416 -0.59 -0.025 0.0464 0.09 0.162 0.212061435973353 0.40843608982792 -0.0524 -0.0724 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I19 compound treatment -0.361 -0.232 -0.33 -0.245 -0.174 -0.34 -0.129 -0.078938564026647 -0.152037819982158 -0.4757 -0.9534 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I20 compound treatment -0.121 0.00841 0.01 -0.042 0.0294 0.06 -0.051 -9.38564026647E-4 -0.0018076998268795 0.0394 0.6639 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I21 mock treatment -0.088 0.0414 0.06 -0.179 -0.108 -0.21 0.04 0.090061435973353 0.173460773687612 0.0115 0.0411 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I22 mock treatment -0.622 -0.493 -0.7 -0.508 -0.437 -0.86 -0.366 -0.315938564026647 -0.608506261992428 -1.2533 -0.9897 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I23 compound treatment -0.141 -0.0116 -0.02 -0.307 -0.236 -0.47 -0.4 -0.349938564026647 -0.673991186162678 -0.6672 -0.8146 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 I24 compound treatment 0.282 0.411 0.58 -0.233 -0.162 -0.32 -0.371 -0.320938564026647 -0.618136397899818 -0.2033 -0.2237 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J01 compound treatment -0.161 -0.0316 -0.04 -0.103 -0.0316 -0.06 -0.081 -0.030938564026647 -0.0595885152712175 -0.0963 -0.9907 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J02 compound treatment 0.147 0.276 0.39 0.393 0.464 0.92 0.36 0.410061435973353 0.78978947176055 1.2123 0.9527 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J03 compound treatment -0.253 -0.124 -0.18 -0.108 -0.0366 -0.07 -0.24 -0.189938564026647 -0.365826837126209 -0.3543 -0.8596 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J04 compound treatment 0.078 0.207 0.29 -0.046 0.0254 0.05 -0.438 -0.387938564026647 -0.747180219058839 -0.2321 -0.2884 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J05 mock treatment -0.6 -0.471 -0.67 -0.333 -0.262 -0.52 -0.414 -0.363938564026647 -0.700955566703369 -1.0892 -0.9919 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J06 mock treatment 0.078 0.207 0.29 0.22 0.291 0.58 0.071 0.121061435973353 0.233167616313428 0.6371 0.9269 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J07 compound treatment 0.313 0.442 0.63 0.434 0.505 1.0 0.613 0.663061435973353 1.27707434867447 1.6767 0.9644 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J08 compound treatment -0.25 -0.121 -0.17 -0.207 -0.136 -0.27 -0.143 -0.092938564026647 -0.179002200522849 -0.3569 -0.9783 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J09 compound treatment -0.557 -0.428 -0.61 0.107 0.178 0.35 0.079 0.129061435973353 0.248575833765252 -0.0041 -0.0055 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J10 compound treatment 0.233 0.362 0.52 0.0 0.0714 0.14 -0.068 -0.017938564026647 -0.0345501619120044 0.359 0.6706 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J11 compound treatment -0.362 -0.233 -0.33 0.2 0.271 0.54 0.133 0.183061435973353 0.35258130156506 0.3221 0.4462 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J12 compound treatment 0.045 0.174 0.25 -0.234 -0.163 -0.32 0.086 0.136061435973353 0.262058024035597 0.1091 0.226 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J13 compound treatment -0.016 0.113 0.16 -0.053 0.0184 0.04 -0.083 -0.032938564026647 -0.0634405696341733 0.0775 0.4376 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J14 compound treatment -0.409 -0.28 -0.4 -0.377 -0.306 -0.6 -0.444 -0.393938564026647 -0.758736382147707 -1.0159 -0.9696 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J15 compound treatment -0.5 -0.371 -0.53 0.109 0.18 0.36 0.132 0.182061435973353 0.350655274383582 0.1039 0.1431 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J16 compound treatment 0.471 0.6 0.85 -0.016 0.0554 0.11 0.432 0.482061435973353 0.928463428826962 1.0921 0.8626 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J17 compound treatment -0.091 0.0384 0.05 -0.017 0.0544 0.11 -0.154 -0.103938564026647 -0.200188499519106 -0.022 -0.0941 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J18 compound treatment -0.559 -0.43 -0.61 -0.294 -0.223 -0.44 -0.88 -0.829938564026647 -1.59848423327209 -1.5292 -0.8656 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J19 compound treatment -0.159 -0.0296 -0.04 -0.192 -0.121 -0.24 0.25 0.300061435973353 0.577926481797978 0.1719 0.2745 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J20 compound treatment 0.4 0.529 0.75 0.915 0.986 1.95 0.353 0.403061435973353 0.776307281490205 2.0073 0.901 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J21 mock treatment -0.557 -0.428 -0.61 -0.456 -0.385 -0.76 -0.312 -0.261938564026647 -0.50450079419262 -1.0807 -0.9862 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J22 mock treatment 0.0 0.129 0.18 -0.194 -0.123 -0.24 -0.21 -0.159938564026647 -0.308046021681871 -0.2113 -0.4883 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J23 compound treatment 0.41 0.539 0.77 -0.405 -0.334 -0.66 -0.976 -0.925938564026647 -1.78338284269397 -0.9671 -0.4718 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 J24 compound treatment -0.182 -0.0526 -0.07 -0.469 -0.398 -0.78 -0.529 -0.478938564026647 -0.922448692573331 -1.029 -0.8479 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K01 compound treatment 0.104 0.233 0.33 0.016 0.0874 0.17 0.159 0.209061435973353 0.402658008283486 0.5237 0.953 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K02 compound treatment 0.068 0.197 0.28 0.261 0.332 0.66 0.069 0.119061435973353 0.229315561950472 0.6734 0.8981 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K03 compound treatment 0.192 0.321 0.46 -0.077 -0.00556 -0.01 -0.206 -0.155938564026647 -0.300341912955959 0.0841 0.1537 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K04 compound treatment -0.737 -0.608 -0.86 -0.015 0.0564 0.11 -0.177 -0.126938564026647 -0.244487124693099 -0.5756 -0.6362 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K05 compound treatment -0.183 -0.0536 -0.08 0.0 0.0714 0.14 -0.323 -0.272938564026647 -0.525687093188877 -0.2661 -0.4841 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K06 compound treatment -0.409 -0.28 -0.4 -0.224 -0.153 -0.3 -0.063 -0.012938564026647 -0.0249200260046147 -0.4178 -0.8367 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K07 mock treatment -0.267 -0.138 -0.2 -0.21 -0.139 -0.27 -0.097 -0.046938564026647 -0.0904049501748644 -0.3231 -0.9277 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K08 mock treatment -0.179 -0.0496 -0.07 -0.222 -0.151 -0.3 -0.353 -0.302938564026647 -0.583467908633215 -0.5492 -0.8339 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K09 compound treatment 0.045 0.174 0.25 0.217 0.288 0.57 -0.239 -0.188938564026647 -0.363900809944731 0.2619 0.3638 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K10 compound treatment 0.079 0.208 0.3 0.333 0.404 0.8 0.359 0.409061435973353 0.787863444579072 1.087 0.9368 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K11 compound treatment -0.257 -0.128 -0.18 -0.89 -0.819 -1.62 -0.289 -0.238938564026647 -0.460202169018627 -1.3036 -0.7712 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K12 compound treatment -0.649 -0.52 -0.74 -0.041 0.0304 0.06 -0.333 -0.282938564026647 -0.544947365003656 -0.7064 -0.7679 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K13 compound treatment -0.081 0.0484 0.07 -0.062 0.00944 0.02 -0.032 0.018061435973353 0.0347868166212012 0.0706 0.8896 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K14 compound treatment -0.274 -0.145 -0.21 -0.203 -0.132 -0.26 -0.205 -0.154938564026647 -0.298415885774481 -0.441 -0.989 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K15 mock treatment -0.446 -0.317 -0.45 -0.119 -0.0476 -0.09 0.015 0.065061435973353 0.125310094150664 -0.2418 -0.5073 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K16 mock treatment -0.18 -0.0506 -0.07 -0.025 0.0464 0.09 -0.371 -0.320938564026647 -0.618136397899818 -0.3455 -0.5492 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K17 compound treatment -0.268 -0.139 -0.2 0.06 0.131 0.26 0.279 0.329061435973353 0.633781270060838 0.402 0.5641 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K18 compound treatment -0.267 -0.138 -0.2 -0.138 -0.0666 -0.13 -0.344 -0.293938564026647 -0.566133663999913 -0.5157 -0.8409 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K19 compound treatment 0.588 0.717 1.02 0.219 0.29 0.57 0.211 0.261061435973353 0.502811421720339 1.2103 0.9503 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K20 compound treatment -0.578 -0.449 -0.64 -0.065 0.00644 0.01 0.132 0.182061435973353 0.350655274383582 -0.1584 -0.2177 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K21 compound treatment 0.271 0.4 0.57 0.012 0.0834 0.16 -0.394 -0.343938564026647 -0.66243502307381 0.0413 0.0465 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K22 compound treatment -0.106 0.0234 0.03 0.0 0.0714 0.14 0.115 0.165061435973353 0.317912812298457 0.2842 0.8134 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K23 mock treatment 0.057 0.186 0.27 0.122 0.193 0.38 -0.853 -0.802938564026647 -1.54648149937218 -0.5193 -0.3216 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 K24 mock treatment -0.125 0.00441 0.01 -0.236 -0.165 -0.32 -0.329 -0.278938564026647 -0.537243256277745 -0.4942 -0.787 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L01 compound treatment 0.2 0.329 0.47 0.081 0.152 0.3 0.046 0.096061435973353 0.18501693677648 0.551 0.9392 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L02 compound treatment 0.073 0.202 0.29 0.181 0.252 0.5 0.288 0.338061435973353 0.651115514694139 0.8298 0.9549 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L03 compound treatment 0.426 0.555 0.79 -0.174 -0.103 -0.2 -0.115 -0.064938564026647 -0.125073439441467 0.2668 0.3235 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L04 compound treatment -0.284 -0.155 -0.22 -0.278 -0.207 -0.41 -0.067 -0.016938564026647 -0.0326241347305264 -0.3812 -0.8208 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L05 compound treatment 0.525 0.654 0.93 0.487 0.558 1.1 0.581 0.631061435973353 1.21544147886717 1.8755 0.9942 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L06 compound treatment -0.114 0.0154 0.02 -0.475 -0.404 -0.8 -0.014 0.036061435973353 0.069455305887804 -0.4073 -0.509 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L07 mock treatment 0.045 0.174 0.25 -0.445 -0.374 -0.74 -0.118 -0.067938564026647 -0.130851520985901 -0.3582 -0.454 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L08 mock treatment -0.385 -0.256 -0.36 -0.44 -0.369 -0.73 -0.361 -0.310938564026647 -0.598876126085038 -0.9757 -0.966 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L09 compound treatment 0.373 0.502 0.71 -0.012 0.0594 0.12 0.362 0.412061435973353 0.793641526123506 0.9384 0.8736 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L10 compound treatment -1.0 -0.871 -1.24 -0.488 -0.417 -0.82 -0.421 -0.370938564026647 -0.714437756973714 -1.602 -0.9715 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L11 compound treatment 0.863 0.992 1.41 0.227 0.298 0.59 1.145 1.19506143597335 2.15233253919082 2.3975 0.9081 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L12 compound treatment 0.0 0.129 0.18 -0.39 -0.319 -0.63 0.072 0.122061435973353 0.235093643494906 -0.1212 -0.1741 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L13 compound treatment 0.082 0.211 0.3 0.09 0.161 0.32 0.213 0.263061435973353 0.506663476083294 0.6501 0.9706 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L14 compound treatment -0.163 -0.0336 -0.05 0.141 0.212 0.42 0.091 0.141061435973353 0.271688159942987 0.3715 0.7399 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L15 mock treatment 0.021 0.15 0.21 -0.117 -0.0456 -0.09 -0.283 -0.232938564026647 -0.44864600592976 -0.1875 -0.3712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L16 mock treatment 0.125 0.254 0.36 -0.512 -0.441 -0.87 -0.415 -0.364938564026647 -0.702881593884847 -0.6992 -0.5949 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L17 compound treatment -0.172 -0.0426 -0.06 0.058 0.129 0.26 0.095 0.145061435973353 0.279392268668899 0.2739 0.7143 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L18 compound treatment -0.171 -0.0416 -0.06 -0.698 -0.627 -1.24 -0.757 -0.706938564026647 -1.3615828899503 -1.5345 -0.8337 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L19 compound treatment 0.054 0.183 0.26 -0.319 -0.248 -0.49 -0.167 -0.116938564026647 -0.22522685287832 -0.2617 -0.4376 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L20 compound treatment -0.143 -0.0136 -0.02 0.32 0.391 0.77 0.557 0.607061435973353 1.1692168265117 1.1101 0.792 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L21 compound treatment 0.164 0.293 0.42 0.234 0.305 0.6 0.237 0.287061435973353 0.552888128438765 0.9083 0.989 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L22 compound treatment 1.0 1.13 1.61 0.561 0.632 1.25 0.899 0.949061435973353 1.82791812257716 2.7034 0.9885 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L23 mock treatment 0.804 0.933 1.33 0.782 0.853 1.69 0.94 0.990061435973353 1.90688523701775 2.8401 0.9896 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 L24 mock treatment -0.102 0.0274 0.04 -0.154 -0.0826 -0.16 0.257 0.307061435973353 0.591408672068323 0.2698 0.439 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M01 compound treatment -0.088 0.0414 0.06 0.074 0.145 0.29 0.016 0.066061435973353 0.127236121332142 0.2732 0.8551 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M02 compound treatment -0.375 -0.246 -0.35 -0.069 0.00244 0.0 -0.26 -0.209938564026647 -0.404347380755767 -0.4323 -0.8091 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M03 compound treatment 0.197 0.326 0.46 -0.44 -0.369 -0.73 0.125 0.175061435973353 0.337173084113236 0.0424 0.0458 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M04 compound treatment -0.676 -0.547 -0.78 -0.353 -0.282 -0.56 -0.307 -0.256938564026647 -0.49487065828523 -1.0554 -0.9808 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M05 compound treatment -0.324 -0.195 -0.28 -0.047 0.0244 0.05 -0.183 -0.132938564026647 -0.256043287781967 -0.2797 -0.736 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M06 compound treatment -0.516 -0.387 -0.55 0.698 0.769 1.52 0.17 0.220061435973353 0.423844307279743 0.8045 0.4817 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M07 compound treatment -0.304 -0.175 -0.25 -0.32 -0.249 -0.49 -0.164 -0.113938564026647 -0.219448771333886 -0.5534 -0.9345 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M08 compound treatment 0.586 0.715 1.02 0.479 0.55 1.09 0.418 0.468061435973353 0.90149904828627 1.7352 0.9971 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M09 mock treatment -0.087 0.0424 0.06 0.018 0.0894 0.18 -0.04 0.010061435973353 0.0193785991693777 0.148 0.7886 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M10 mock treatment -0.554 -0.425 -0.6 -0.188 -0.117 -0.23 -0.356 -0.305938564026647 -0.589245990177649 -0.8216 -0.9396 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M11 compound treatment -0.443 -0.314 -0.45 -0.492 -0.421 -0.83 -0.531 -0.480938564026647 -0.926300746936287 -1.2717 -0.9623 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M12 compound treatment -0.153 -0.0236 -0.03 -0.746 -0.675 -1.33 -0.857 -0.806938564026647 -1.55418560809809 -1.6857 -0.8234 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M13 mock treatment -0.169 -0.0396 -0.06 -0.192 -0.121 -0.24 -0.159 -0.108938564026647 -0.209818635426496 -0.2911 -0.9032 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M14 mock treatment -0.425 -0.296 -0.42 -0.431 -0.36 -0.71 -0.403 -0.352938564026647 -0.679769267707112 -1.045 -0.9776 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M15 compound treatment -0.099 0.0304 0.04 -0.45 -0.379 -0.75 0.095 0.145061435973353 0.279392268668899 -0.2453 -0.3069 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M16 compound treatment -0.574 -0.445 -0.63 -0.349 -0.278 -0.55 -0.933 -0.882938564026647 -1.70056367389042 -1.6632 -0.8776 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M17 compound treatment -0.048 0.0814 0.12 0.113 0.184 0.36 0.322 0.372061435973353 0.716600438864389 0.6908 0.8506 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M18 compound treatment -0.514 -0.385 -0.55 -0.761 -0.69 -1.36 -0.3 -0.249938564026647 -0.481388468014885 -1.3797 -0.8935 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M19 compound treatment -0.149 -0.0196 -0.03 -0.039 0.0324 0.06 -0.324 -0.273938564026647 -0.527613120370355 -0.2837 -0.5331 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M20 compound treatment -0.05 0.0794 0.11 -0.021 0.0504 0.1 -0.159 -0.108938564026647 -0.209818635426496 0.0015 0.006 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M21 compound treatment 0.13 0.259 0.37 -0.111 -0.0396 -0.08 0.038 0.088061435973353 0.169608719324656 0.2658 0.6429 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M22 compound treatment -0.058 0.0714 0.1 0.333 0.404 0.8 -0.506 -0.455938564026647 -0.878150067399338 0.0127 0.0106 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M23 compound treatment -0.714 -0.585 -0.83 0.426 0.497 0.98 0.488 0.538061435973353 1.03632095098973 0.6855 0.4149 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 M24 compound treatment -0.63 -0.501 -0.71 -0.39 -0.319 -0.63 -0.478 -0.427938564026647 -0.824221306317956 -1.2499 -0.9939 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N01 compound treatment -0.267 -0.138 -0.2 -0.068 0.00344 0.01 -0.066 -0.015938564026647 -0.0306981075490485 -0.1267 -0.6397 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N02 compound treatment -0.046 0.0834 0.12 -0.095 -0.0236 -0.05 0.014 0.064061435973353 0.123384066969186 0.1128 0.6363 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N03 compound treatment -0.662 -0.533 -0.76 -0.109 -0.0376 -0.07 -0.014 0.036061435973353 0.069455305887804 -0.4399 -0.5758 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N04 compound treatment -0.977 -0.848 -1.21 -0.512 -0.441 -0.87 -0.699 -0.648938564026647 -1.24987331342458 -1.9196 -0.9885 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N05 compound treatment -0.455 -0.326 -0.46 -0.125 -0.0536 -0.11 -0.104 -0.053938564026647 -0.10388714044521 -0.3883 -0.7989 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N06 compound treatment -0.053 0.0764 0.11 0.165 0.236 0.47 0.318 0.368061435973353 0.708896330138477 0.7415 0.8666 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N07 compound treatment 0.524 0.653 0.93 -0.151 -0.0796 -0.16 0.302 0.352061435973353 0.67807989523483 0.8372 0.7212 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N08 compound treatment -0.117 0.0124 0.02 -0.2 -0.129 -0.25 -0.292 -0.241938564026647 -0.465980250563061 -0.4054 -0.7636 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N09 mock treatment -0.093 0.0364 0.05 -0.316 -0.245 -0.48 -0.466 -0.415938564026647 -0.801108980140221 -0.7114 -0.7594 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N10 mock treatment -0.203 -0.0736 -0.1 -0.462 -0.391 -0.77 -0.76 -0.709938564026647 -1.36736097149473 -1.2951 -0.8232 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N11 compound treatment -0.142 -0.0126 -0.02 1.532 1.6 2.53 1.758 1.80806143597335 2.56172731890133 2.9274 0.8136 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N12 compound treatment -0.219 -0.0896 -0.13 0.565 0.636 1.26 0.382 0.432061435973353 0.832162069753065 1.1324 0.7487 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N13 mock treatment -0.052 0.0774 0.11 -0.119 -0.0476 -0.09 -0.115 -0.064938564026647 -0.125073439441467 -0.0629 -0.3288 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N14 mock treatment -0.338 -0.209 -0.3 -0.492 -0.421 -0.83 -0.528 -0.477938564026647 -0.920522665391853 -1.1821 -0.9274 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N15 compound treatment 0.253 0.382 0.54 0.764 0.835 1.65 0.718 0.768061435973353 1.47930720272965 2.1204 0.9294 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N16 compound treatment -0.464 -0.335 -0.48 0.287 0.358 0.71 -0.015 0.035061435973353 0.067529278706326 0.1729 0.2022 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N17 compound treatment -0.382 -0.253 -0.36 -0.158 -0.0866 -0.17 -0.03 0.020061435973353 0.0386388709841571 -0.2837 -0.71 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N18 compound treatment -0.5 -0.371 -0.53 0.353 0.424 0.84 -0.1 -0.049938564026647 -0.0961830317192982 0.1241 0.1248 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N19 compound treatment 0.037 0.166 0.24 -0.109 -0.0376 -0.07 0.761 0.811061435973353 1.5621263715332 0.9957 0.6295 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N20 compound treatment -0.16 -0.0306 -0.04 -0.836 -0.765 -1.51 -0.431 -0.380938564026647 -0.733698028788494 -1.3203 -0.7863 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N21 compound treatment 0.118 0.247 0.35 0.276 0.347 0.69 -0.197 -0.146938564026647 -0.283007668322658 0.4358 0.5306 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N22 compound treatment -0.44 -0.311 -0.44 -0.118 -0.0466 -0.09 0.096 0.146061435973353 0.281318295850376 -0.1456 -0.2739 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N23 compound treatment 0.39 0.519 0.74 -0.184 -0.113 -0.22 0.0 0.050061435973353 0.096419686428495 0.3537 0.4551 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 N24 compound treatment 0.066 0.195 0.28 0.349 0.42 0.83 0.535 0.585061435973353 1.12684422851919 1.2903 0.9042 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O01 compound treatment -0.361 -0.232 -0.33 -1.411 -1.34 -2.64 -0.484 -0.433938564026647 -0.835777469406824 -2.1997 -0.7875 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O02 compound treatment -0.683 -0.554 -0.79 -0.528 -0.457 -0.9 -0.451 -0.400938564026647 -0.772218572418052 -1.4207 -0.9975 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O03 compound treatment -0.323 -0.194 -0.28 -0.164 -0.0926 -0.18 -0.123 -0.072938564026647 -0.140481656893291 -0.3455 -0.9624 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O04 compound treatment -0.695 -0.566 -0.8 -0.2 -0.129 -0.25 -0.18 -0.129938564026647 -0.250265206237533 -0.7553 -0.8587 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O05 compound treatment 0.0 0.129 0.18 -0.058 0.0134 0.03 0.4 0.450061435973353 0.866830559019668 0.622 0.7016 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O06 compound treatment -0.19 -0.0606 -0.09 -0.172 -0.101 -0.2 -0.667 -0.616938564026647 -1.18824044361729 -0.8504 -0.7041 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O07 compound treatment -0.156 -0.0266 -0.04 -0.104 -0.0326 -0.06 -0.173 -0.122938564026647 -0.236783015967187 -0.1957 -0.7881 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O08 compound treatment -0.314 -0.185 -0.26 -0.574 -0.503 -0.99 -0.819 -0.768938564026647 -1.48099657520193 -1.5795 -0.8766 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O09 compound treatment -0.104 0.0254 0.04 -0.459 -0.388 -0.77 -0.671 -0.620938564026647 -1.1959445523432 -1.1114 -0.7825 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O10 compound treatment -0.247 -0.118 -0.17 -0.577 -0.506 -1.0 -0.608 -0.557938564026647 -1.07460483991009 -1.2933 -0.8761 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O11 mock treatment -0.31 -0.181 -0.26 -0.911 -0.84 -1.66 -0.808 -0.757938564026647 -1.45981027620567 -1.9482 -0.8761 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O12 mock treatment -0.206 -0.0766 -0.11 -0.222 -0.151 -0.3 -0.418 -0.367938564026647 -0.70865967542928 -0.6437 -0.8293 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O13 compound treatment -0.261 -0.132 -0.19 0.1 0.171 0.34 0.281 0.331061435973353 0.637633324423794 0.4556 0.6109 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O14 compound treatment -0.074 0.0554 0.08 0.319 0.39 0.77 0.229 0.279061435973353 0.537479910986941 0.8009 0.8492 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O15 compound treatment -0.848 -0.719 -1.02 -1.0 -0.929 -1.83 -0.547 -0.496938564026647 -0.957117181839934 -2.201 -0.9541 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O16 compound treatment 0.219 0.348 0.5 -0.136 -0.0646 -0.13 -0.233 -0.182938564026647 -0.352344646855863 0.009 0.0144 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O17 compound treatment -0.541 -0.412 -0.59 -0.331 -0.26 -0.51 -0.297 -0.246938564026647 -0.475610386470451 -0.9084 -0.9963 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O18 compound treatment -0.083 0.0464 0.07 0.068 0.139 0.28 -0.111 -0.060938564026647 -0.117369330715555 0.1293 0.4218 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O19 compound treatment -0.156 -0.0266 -0.04 0.031 0.102 0.2 0.691 0.741061435973353 1.42730446882975 0.919 0.6373 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O20 compound treatment 0.194 0.323 0.46 0.222 0.293 0.58 0.083 0.133061435973353 0.256279942491163 0.748 0.9555 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O21 compound treatment 0.172 0.301 0.43 -0.319 -0.248 -0.49 -0.487 -0.436938564026647 -0.841555550951258 -0.5207 -0.4896 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O22 compound treatment 0.067 0.196 0.28 0.257 0.328 0.65 0.494 0.544061435973353 1.04787711407859 1.1406 0.9027 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O23 compound treatment 0.179 0.308 0.44 -0.654 -0.583 -1.15 -0.91 -0.859938564026647 -1.65626504871642 -1.3672 -0.6625 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 O24 compound treatment 0.083 0.212 0.3 -0.549 -0.478 -0.94 -0.486 -0.435938564026647 -0.83962952376978 -0.8548 -0.6585 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P01 compound treatment -0.021 0.108 0.15 0.066 0.137 0.27 -0.015 0.035061435973353 0.067529278706326 0.2847 0.8915 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P02 compound treatment -0.047 0.0824 0.12 0.384 0.455 0.9 0.278 0.328061435973353 0.63185524287936 0.9516 0.861 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P03 compound treatment -0.345 -0.216 -0.31 0.275 0.346 0.68 0.364 0.414061435973353 0.797493580486462 0.6784 0.6198 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P04 compound treatment -0.449 -0.32 -0.45 -0.309 -0.238 -0.47 -0.288 -0.237938564026647 -0.458276141837149 -0.7977 -0.9999 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P05 compound treatment 0.351 0.48 0.68 1.125 1.2 2.23 0.413 0.463061435973353 0.891868912378881 2.1962 0.8799 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P06 compound treatment -0.357 -0.228 -0.32 0.017 0.0884 0.17 0.349 0.399061435973353 0.768603172764293 0.3577 0.4199 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P07 compound treatment 0.77 0.899 1.28 0.513 0.584 1.15 0.488 0.538061435973353 1.03632095098973 2.0029 0.9964 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P08 compound treatment -0.893 -0.764 -1.09 -0.735 -0.664 -1.31 -0.614 -0.563938564026647 -1.08616100299896 -2.0104 -0.9959 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P09 compound treatment 0.455 0.584 0.83 0.039 0.11 0.22 0.355 0.405061435973353 0.780159335853161 1.056 0.91 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P10 compound treatment -0.881 -0.752 -1.07 -0.231 -0.16 -0.32 -0.048 0.002061435973353 0.00397038171755429 -0.7966 -0.715 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P11 mock treatment -0.054 0.0754 0.11 -0.128 -0.0566 -0.11 -0.186 -0.135938564026647 -0.2618213693264 -0.1537 -0.5055 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P12 mock treatment -0.051 0.0784 0.11 -0.086 -0.0146 -0.03 -0.429 -0.378938564026647 -0.729845974425538 -0.3736 -0.5057 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P13 compound treatment 0.114 0.243 0.35 0.493 0.564 1.11 -0.187 -0.136938564026647 -0.263747396507878 0.691 0.5775 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P14 compound treatment 0.048 0.177 0.25 0.905 0.976 1.93 0.351 0.401061435973353 0.772455227127249 1.7047 0.8148 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P15 compound treatment -0.052 0.0774 0.11 -0.125 -0.0536 -0.11 0.036 0.086061435973353 0.165756664961701 0.0982 0.4357 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P16 compound treatment -0.691 -0.562 -0.8 -0.386 -0.315 -0.62 -0.4 -0.349938564026647 -0.673991186162678 -1.2087 -0.9944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P17 compound treatment 0.22 0.349 0.5 0.073 0.144 0.29 -0.172 -0.121938564026647 -0.234856988785709 0.3159 0.5102 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P18 compound treatment -0.087 0.0424 0.06 -0.416 -0.345 -0.68 -0.464 -0.413938564026647 -0.797256925777265 -0.8183 -0.7794 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P19 compound treatment 0.0 0.129 0.18 0.258 0.329 0.65 -0.075 -0.024938564026647 -0.0480323521823499 0.4541 0.67 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P20 compound treatment -0.194 -0.0646 -0.09 0.136 0.207 0.41 0.342 0.392061435973353 0.755120982493948 0.6194 0.717 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P21 compound treatment 0.639 0.768 1.09 0.276 0.347 0.69 -0.25 -0.199938564026647 -0.385087108940988 0.8045 0.5976 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P22 compound treatment -1.827 -1.7 -2.41 -1.373 -1.3 -2.57 -1.278 -1.22793856402665 -2.3650430515003 -4.2427 -0.9994 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P23 compound treatment 0.0 0.129 0.18 -0.298 -0.227 -0.45 -0.25 -0.199938564026647 -0.385087108940988 -0.3744 -0.6055 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2292 P24 compound treatment -0.298 -0.169 -0.24 0.163 0.234 0.46 -0.072 -0.021938564026647 -0.0422542706379161 0.1045 0.1998 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A01 compound treatment -0.174 -0.0446 -0.06 0.0 0.0714 0.14 0.032 0.082061435973353 0.158052556235789 0.1361 0.6154 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A02 compound treatment -0.2 -0.0706 -0.1 -0.065 0.00644 0.01 0.151 0.201061435973353 0.387249790831663 0.173 0.4322 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A03 compound treatment 0.113 0.242 0.34 0.563 0.634 1.25 0.568 0.618061435973353 1.19040312550796 1.6095 0.9134 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A04 compound treatment 0.113 0.242 0.34 0.271 0.342 0.68 0.411 0.461061435973353 0.888016858015925 1.1021 0.9434 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A05 compound treatment 0.086 0.215 0.31 -0.034 0.0374 0.07 -0.173 -0.122938564026647 -0.236783015967187 0.0828 0.2101 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A06 compound treatment -0.275 -0.146 -0.21 0.051 0.122 0.24 0.398 0.448061435973353 0.862978504656712 0.5183 0.5635 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A07 compound treatment 0.791 0.92 1.31 0.34 0.411 0.81 0.348 0.398061435973353 0.766677145582815 1.6672 0.969 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A08 compound treatment -0.278 -0.149 -0.21 -0.043 0.0284 0.06 -0.026 0.024061435973353 0.0463429797100688 -0.0628 -0.281 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A09 compound treatment 0.095 0.224 0.32 0.056 0.127 0.25 0.107 0.157061435973353 0.302504594846634 0.5041 0.9952 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A10 compound treatment -0.356 -0.227 -0.32 -0.292 -0.221 -0.44 -0.154 -0.103938564026647 -0.200188499519106 -0.553 -0.9576 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A11 compound treatment 0.117 0.246 0.35 -0.328 -0.257 -0.51 -0.16 -0.109938564026647 -0.211744662607974 -0.2125 -0.3262 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A12 compound treatment -0.431 -0.302 -0.43 -0.051 0.0204 0.04 0.086 0.136061435973353 0.262058024035597 -0.073 -0.1447 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A13 mock treatment -0.635 -0.506 -0.72 -0.145 -0.0736 -0.15 -0.565 -0.514938564026647 -0.991785671106536 -1.0715 -0.8687 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A14 mock treatment -1.029 -0.9 -1.28 -0.29 -0.219 -0.43 -0.893 -0.842938564026647 -1.6235225866313 -1.9249 -0.9117 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A15 compound treatment -0.851 -0.722 -1.03 -0.419 -0.348 -0.69 -0.474 -0.423938564026647 -0.816517197592045 -1.46 -0.9865 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A16 compound treatment -0.65 -0.521 -0.74 -0.224 -0.153 -0.3 -0.181 -0.130938564026647 -0.252191233419011 -0.7469 -0.8913 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A17 compound treatment -0.148 -0.0186 -0.03 -0.407 -0.336 -0.66 -1.145 -1.09493856402665 -2.10888143636374 -1.6154 -0.7307 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A18 compound treatment -0.088 0.0414 0.06 0.073 0.144 0.29 0.224 0.274061435973353 0.527849775079552 0.5034 0.835 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A19 compound treatment -0.409 -0.28 -0.4 -0.378 -0.307 -0.61 -0.261 -0.210938564026647 -0.406273407937245 -0.8135 -0.9798 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A20 compound treatment 0.0 0.129 0.18 -0.521 -0.45 -0.89 -0.297 -0.246938564026647 -0.475610386470451 -0.6809 -0.6651 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A21 compound treatment -0.012 0.117 0.17 -0.056 0.0154 0.03 0.136 0.186061435973353 0.358359383109494 0.3209 0.8093 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A22 compound treatment -0.106 0.0234 0.03 0.069 0.14 0.28 0.192 0.242061435973353 0.466216905272258 0.4485 0.8252 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A23 compound treatment -0.053 0.0764 0.11 -1.115 -1.04 -2.06 -1.037 -0.986938564026647 -1.90087050076412 -2.2244 -0.7929 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 A24 compound treatment -0.104 0.0254 0.04 -0.066 0.00544 0.01 -0.264 -0.213938564026647 -0.412051489481679 -0.2108 -0.5096 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B01 compound treatment -0.015 0.114 0.16 -0.125 -0.0536 -0.11 -0.035 0.015061435973353 0.0290087350767674 0.0496 0.2528 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B02 compound treatment -0.7 -0.571 -0.81 -0.585 -0.514 -1.01 -0.987 -0.936938564026647 -1.80456914169022 -2.0957 -0.9426 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B03 compound treatment -0.423 -0.294 -0.42 -0.458 -0.387 -0.76 -0.448 -0.397938564026647 -0.766440490873618 -1.1242 -0.9696 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B04 compound treatment -0.027 0.102 0.15 0.622 0.693 1.37 -0.309 -0.258938564026647 -0.498722712648186 0.5866 0.4006 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B05 compound treatment -0.207 -0.0776 -0.11 0.298 0.369 0.73 -0.136 -0.085938564026647 -0.165520010252504 0.2619 0.3464 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B06 compound treatment -0.462 -0.333 -0.47 -0.232 -0.161 -0.32 -0.305 -0.254938564026647 -0.491018603922274 -0.7395 -0.9837 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B07 compound treatment -0.103 0.0264 0.04 -0.351 -0.28 -0.55 -0.561 -0.510938564026647 -0.984081562380625 -0.8652 -0.7664 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B08 compound treatment -0.308 -0.179 -0.25 -0.333 -0.262 -0.52 -0.231 -0.180938564026647 -0.348492592492907 -0.646 -0.9601 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B09 compound treatment 0.056 0.185 0.26 -0.161 -0.0896 -0.18 0.37 0.420061435973353 0.80904974357533 0.5172 0.5951 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B10 compound treatment -0.25 -0.121 -0.17 -0.037 0.0344 0.07 0.07 0.120061435973353 0.23124158913195 0.0738 0.2494 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B11 compound treatment -0.269 -0.14 -0.2 0.029 0.1 0.2 0.053 0.103061435973353 0.198499127046825 0.1145 0.3332 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B12 compound treatment 0.429 0.558 0.79 -0.177 -0.106 -0.21 -0.192 -0.141938564026647 -0.273377532415268 0.1802 0.2083 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B13 mock treatment -0.224 -0.0946 -0.13 -0.153 -0.0816 -0.16 -0.103 -0.052938564026647 -0.101961113263732 -0.2295 -0.9838 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B14 mock treatment -1.027 -0.898 -1.28 -0.359 -0.288 -0.57 -0.4 -0.349938564026647 -0.673991186162678 -1.4537 -0.9374 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B15 compound treatment 0.778 0.907 1.29 0.56 0.631 1.25 0.753 0.803061435973353 1.54671815408138 2.3577 0.9953 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B16 compound treatment -0.568 -0.439 -0.62 -0.13 -0.0586 -0.12 -0.309 -0.258938564026647 -0.498722712648186 -0.7147 -0.8859 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B17 compound treatment -0.017 0.112 0.16 -0.086 -0.0146 -0.03 -0.269 -0.218938564026647 -0.421681625389069 -0.1678 -0.3713 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B18 compound treatment 0.029 0.158 0.23 -0.071 4.38E-4 0.0 -0.288 -0.237938564026647 -0.458276141837149 -0.1341 -0.2625 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B19 compound treatment 0.153 0.282 0.4 0.085 0.156 0.31 -0.125 -0.074938564026647 -0.144333711256246 0.3268 0.6205 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B20 compound treatment -0.338 -0.209 -0.3 -0.155 -0.0836 -0.16 -0.219 -0.168938564026647 -0.325380266315172 -0.4543 -0.9664 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B21 compound treatment 0.296 0.425 0.6 0.571 0.642 1.27 0.691 0.741061435973353 1.42730446882975 1.9056 0.9514 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B22 compound treatment 0.645 0.774 1.1 0.813 0.884 1.75 0.44 0.490061435973353 0.943871646278785 2.1889 0.9643 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B23 compound treatment -0.072 0.0574 0.08 -0.725 -0.654 -1.29 -1.467 -1.41693856402665 -2.72906218879963 -2.2736 -0.7529 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 B24 compound treatment -0.203 -0.0736 -0.1 -0.361 -0.29 -0.57 -0.681 -0.630938564026647 -1.21520482415798 -1.0921 -0.8107 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C01 compound treatment -0.197 -0.0676 -0.1 0.028 0.0994 0.2 0.221 0.271061435973353 0.522071693535118 0.3593 0.6348 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C02 compound treatment -0.346 -0.217 -0.31 0.712 0.783 1.55 0.861 0.911061435973353 1.75472908968099 1.7284 0.7326 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C03 compound treatment 0.75 0.879 1.25 0.785 0.856 1.69 0.973 1.02306143597335 1.97044413400652 2.8358 0.984 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C04 compound treatment -1.072 -0.943 -1.34 -0.567 -0.496 -0.98 -0.823 -0.772938564026647 -1.48870068392784 -2.1982 -0.986 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C05 compound treatment -0.162 -0.0326 -0.05 0.169 0.24 0.47 0.783 0.833061435973353 1.60449896952572 1.1737 0.7012 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C06 compound treatment -0.293 -0.164 -0.23 -0.682 -0.611 -1.21 -0.672 -0.621938564026647 -1.19787057952468 -1.5219 -0.8872 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C07 compound treatment 0.156 0.285 0.41 0.646 0.717 1.42 1.133 1.18306143597335 2.14219858240601 2.289 0.8803 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C08 compound treatment -0.312 -0.183 -0.26 -0.306 -0.235 -0.46 -0.296 -0.245938564026647 -0.473684359288973 -0.6908 -0.9708 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C09 compound treatment 0.213 0.342 0.49 0.154 0.225 0.45 0.054 0.104061435973353 0.200425154228303 0.6538 0.9483 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C10 compound treatment -0.034 0.0954 0.14 0.214 0.285 0.56 0.082 0.132061435973353 0.254353915309685 0.5506 0.8697 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C11 mock treatment -0.422 -0.293 -0.42 -0.596 -0.525 -1.04 -0.048 0.002061435973353 0.00397038171755429 -0.8359 -0.7489 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C12 mock treatment -0.333 -0.204 -0.29 0.0 0.0714 0.14 -0.062 -0.011938564026647 -0.0229939988231368 -0.099 -0.3065 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C13 compound treatment 3.033 3.16 2.3 2.276 2.35 2.89 1.905 1.95506143597335 2.63642754863583 4.5242 0.9958 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C14 compound treatment -0.642 -0.513 -0.73 -0.441 -0.37 -0.73 -0.286 -0.235938564026647 -0.454424087474193 -1.1044 -0.98 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C15 mock treatment -0.25 -0.121 -0.17 -0.086 -0.0146 -0.03 -0.378 -0.327938564026647 -0.631618588170163 -0.4803 -0.7331 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C16 mock treatment -0.437 -0.308 -0.44 0.058 0.129 0.26 -0.288 -0.237938564026647 -0.458276141837149 -0.3695 -0.541 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C17 compound treatment 0.167 0.296 0.42 0.873 0.944 1.86 0.71 0.760061435973353 1.46389898527783 2.1651 0.8992 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C18 compound treatment 0.247 0.376 0.54 0.2 0.271 0.54 0.045 0.095061435973353 0.183090909595002 0.7241 0.9293 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C19 compound treatment -0.127 0.00241 0.0 -0.266 -0.195 -0.38 0.276 0.326061435973353 0.628003188516404 0.1428 0.1939 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C20 compound treatment 0.016 0.145 0.21 0.066 0.137 0.27 -0.071 -0.020938564026647 -0.0403282434564381 0.2528 0.7358 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C21 compound treatment -0.123 0.00641 0.01 -0.729 -0.658 -1.3 -0.803 -0.752938564026647 -1.45018014029828 -1.5816 -0.8125 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C22 compound treatment 0.0 0.129 0.18 1.5 1.57 2.51 1.486 1.53606143597335 2.4027008469341 2.9405 0.8457 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C23 compound treatment 0.609 0.738 1.05 -0.118 -0.0466 -0.09 -0.247 -0.196938564026647 -0.379309027396554 0.3341 0.2983 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 C24 compound treatment 0.145 0.274 0.39 -0.014 0.0574 0.11 -0.147 -0.096938564026647 -0.186706309248761 0.1829 0.4091 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D01 compound treatment 0.156 0.285 0.41 -0.333 -0.262 -0.52 -0.029 0.021061435973353 0.040564898165635 -0.0405 -0.0615 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D02 compound treatment -0.022 0.107 0.15 -0.747 -0.676 -1.33 -0.607 -0.556938564026647 -1.07267881272861 -1.3013 -0.7572 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D03 compound treatment -0.489 -0.36 -0.51 -0.684 -0.613 -1.21 0.255 0.305061435973353 0.587556617705368 -0.6543 -0.4548 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D04 compound treatment -0.204 -0.0746 -0.11 -0.162 -0.0906 -0.18 0.288 0.338061435973353 0.651115514694139 0.2115 0.3094 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D05 compound treatment -0.054 0.0754 0.11 0.326 0.397 0.78 -0.097 -0.046938564026647 -0.0904049501748644 0.4628 0.5805 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D06 compound treatment 0.484 0.613 0.87 -1.034 -0.963 -1.9 -0.397 -0.346938564026647 -0.668213104618244 -0.9796 -0.4462 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D07 compound treatment 0.431 0.56 0.8 0.266 0.337 0.67 1.06 1.11006143597335 2.07822596468411 2.0446 0.88 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D08 compound treatment -1.269 -1.14 -1.62 -0.616 -0.545 -1.08 -0.789 -0.738938564026647 -1.42321575975759 -2.3779 -0.9868 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D09 compound treatment 0.194 0.323 0.46 -0.239 -0.168 -0.33 0.375 0.425061435973353 0.818679879482719 0.5471 0.5496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D10 compound treatment -0.2 -0.0706 -0.1 -0.074 -0.00256 -0.01 0.169 0.219061435973353 0.421918280098265 0.1827 0.4213 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D11 mock treatment 0.127 0.256 0.36 0.107 0.178 0.35 0.014 0.064061435973353 0.123384066969186 0.4851 0.9297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D12 mock treatment 0.286 0.415 0.59 -0.705 -0.634 -1.25 -0.712 -0.661938564026647 -1.27491166678379 -1.1173 -0.5939 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D13 compound treatment -0.116 0.0134 0.02 -0.267 -0.196 -0.39 0.109 0.159061435973353 0.30635664920959 -0.0351 -0.0711 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D14 compound treatment 0.467 0.596 0.85 1.037 1.11 2.15 0.552 0.602061435973353 1.15958669060431 2.4006 0.9283 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D15 mock treatment -0.203 -0.0736 -0.1 -0.767 -0.696 -1.37 -0.281 -0.230938564026647 -0.444793951566804 -1.1101 -0.767 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D16 mock treatment 0.135 0.264 0.38 0.147 0.218 0.43 0.186 0.236061435973353 0.45466074218339 0.7286 0.9969 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D17 compound treatment -0.036 0.0934 0.13 -0.051 0.0204 0.04 -0.032 0.018061435973353 0.0347868166212012 0.1201 0.839 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D18 compound treatment -0.179 -0.0496 -0.07 -0.883 -0.812 -1.6 -0.417 -0.366938564026647 -0.706733648247802 -1.3739 -0.7838 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D19 compound treatment 0.212 0.341 0.49 -0.217 -0.146 -0.29 0.363 0.413061435973353 0.795567553304984 0.5736 0.5882 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D20 compound treatment -0.579 -0.45 -0.64 -0.458 -0.387 -0.76 -0.375 -0.324938564026647 -0.625840506625729 -1.1711 -0.9958 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D21 compound treatment 0.305 0.434 0.62 -0.033 0.0384 0.08 0.309 0.359061435973353 0.691562085505176 0.7997 0.8596 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D22 compound treatment 6.333 6.46 2.67 3.743 3.81 3.31 4.449 4.49906143597335 3.33850321252204 5.3802 0.9951 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D23 compound treatment 0.349 0.478 0.68 -0.244 -0.173 -0.34 -0.403 -0.352938564026647 -0.679769267707112 -0.1965 -0.1926 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 D24 compound treatment -0.102 0.0274 0.04 -0.771 -0.7 -1.38 -0.956 -0.905938564026647 -1.74486229906441 -1.7824 -0.8008 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E01 mock treatment -0.53 -0.401 -0.57 -0.091 -0.0196 -0.04 -0.075 -0.024938564026647 -0.0480323521823499 -0.3789 -0.6613 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E02 mock treatment -0.394 -0.265 -0.38 -0.262 -0.191 -0.38 -0.333 -0.282938564026647 -0.544947365003656 -0.7491 -0.9835 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E03 compound treatment -0.151 -0.0216 -0.03 -0.171 -0.0996 -0.2 -0.346 -0.295938564026647 -0.569985718362869 -0.4603 -0.7625 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E04 compound treatment -0.459 -0.33 -0.47 -0.151 -0.0796 -0.16 -0.239 -0.188938564026647 -0.363900809944731 -0.5713 -0.9309 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E05 compound treatment 0.143 0.272 0.39 -0.262 -0.191 -0.38 -0.468 -0.417938564026647 -0.804961034503177 -0.4584 -0.4729 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E06 compound treatment -0.548 -0.419 -0.6 -0.51 -0.439 -0.87 -0.455 -0.404938564026647 -0.779922681143964 -1.2939 -0.9888 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E07 compound treatment -0.05 0.0794 0.11 -0.292 -0.221 -0.44 -0.239 -0.188938564026647 -0.363900809944731 -0.3964 -0.685 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E08 compound treatment 0.111 0.24 0.34 0.02 0.0914 0.18 -0.176 -0.125938564026647 -0.242561097511621 0.1615 0.354 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E09 mock treatment 0.026 0.155 0.22 -0.143 -0.0716 -0.14 -0.051 -9.38564026647E-4 -0.0018076998268795 0.0449 0.1714 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E10 mock treatment -0.604 -0.475 -0.67 -0.862 -0.791 -1.56 -1.321 -1.27093856402665 -2.44786222030385 -2.7041 -0.9072 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E11 compound treatment -0.629 -0.5 -0.71 -0.09 -0.0186 -0.04 0.081 0.131061435973353 0.252427888128207 -0.2855 -0.3783 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E12 compound treatment -0.064 0.0654 0.09 -0.197 -0.126 -0.25 -0.408 -0.357938564026647 -0.689399403614501 -0.4875 -0.6601 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E13 compound treatment -0.708 -0.579 -0.82 0.089 0.16 0.32 -0.066 -0.015938564026647 -0.0306981075490485 -0.3098 -0.3512 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E14 compound treatment -0.294 -0.165 -0.23 -0.317 -0.246 -0.48 -0.247 -0.196938564026647 -0.379309027396554 -0.634 -0.9627 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E15 compound treatment 0.127 0.256 0.36 0.333 0.404 0.8 0.177 0.227061435973353 0.437326497550089 0.924 0.9422 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E16 compound treatment -0.047 0.0824 0.12 0.266 0.337 0.67 0.212 0.262061435973353 0.504737448901816 0.7437 0.8812 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E17 mock treatment -0.183 -0.0536 -0.08 -0.131 -0.0596 -0.12 -0.286 -0.235938564026647 -0.454424087474193 -0.3743 -0.787 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E18 mock treatment -0.375 -0.246 -0.35 -0.364 -0.293 -0.58 0.059 0.109061435973353 0.210055290135693 -0.4138 -0.5854 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E19 compound treatment 0.066 0.195 0.28 -0.17 -0.0986 -0.19 0.1 0.150061435973353 0.289022404576288 0.2149 0.4823 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E20 compound treatment 0.076 0.205 0.29 0.15 0.221 0.44 -0.156 -0.105938564026647 -0.204040553882062 0.3032 0.5377 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E21 compound treatment 0.088 0.217 0.31 0.143 0.214 0.42 0.253 0.303061435973353 0.583704563342412 0.7599 0.9686 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E22 compound treatment 0.267 0.396 0.56 -0.054 0.0174 0.03 -0.024 0.026061435973353 0.0501950340730246 0.3743 0.6602 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E23 compound treatment -0.373 -0.244 -0.35 -0.088 -0.0166 -0.03 -0.744 -0.693938564026647 -1.33654453659109 -0.9905 -0.7172 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 E24 compound treatment 0.325 0.454 0.65 -0.083 -0.0116 -0.02 -0.149 -0.098938564026647 -0.190558363611717 0.2498 0.3707 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F01 mock treatment -0.411 -0.282 -0.4 -0.15 -0.0786 -0.16 -0.097 -0.046938564026647 -0.0904049501748644 -0.3729 -0.8499 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F02 mock treatment 0.053 0.182 0.26 -0.197 -0.126 -0.25 -0.127 -0.076938564026647 -0.148185765619202 -0.079 -0.2034 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F03 compound treatment 0.284 0.413 0.59 0.191 0.262 0.52 -0.12 -0.069938564026647 -0.134703575348857 0.5608 0.7053 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F04 compound treatment -0.279 -0.15 -0.21 -0.28 -0.209 -0.41 -0.377 -0.326938564026647 -0.629692560988685 -0.7241 -0.9261 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F05 compound treatment -0.054 0.0754 0.11 -0.155 -0.0836 -0.16 -0.242 -0.191938564026647 -0.369678891489164 -0.2468 -0.5893 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F06 compound treatment -0.135 -0.00559 -0.01 0.493 0.564 1.11 -0.214 -0.163938564026647 -0.315750130407782 0.4566 0.3941 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F07 compound treatment -0.134 -0.00459 -0.01 -0.049 0.0224 0.04 -0.29 -0.239938564026647 -0.462128196200105 -0.245 -0.5277 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F08 compound treatment -0.162 -0.0326 -0.05 -0.298 -0.227 -0.45 -0.254 -0.203938564026647 -0.3927912176669 -0.5118 -0.8571 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F09 mock treatment -0.093 0.0364 0.05 -0.104 -0.0326 -0.06 -0.257 -0.206938564026647 -0.398569299211333 -0.2373 -0.5831 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F10 mock treatment 0.48 0.609 0.87 -0.014 0.0574 0.11 0.065 0.115061435973353 0.221611453224561 0.6937 0.7695 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F11 compound treatment -0.435 -0.306 -0.43 -0.068 0.00344 0.01 -0.16 -0.109938564026647 -0.211744662607974 -0.3692 -0.7637 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F12 compound treatment 0.048 0.177 0.25 0.016 0.0874 0.17 0.0 0.050061435973353 0.096419686428495 0.301 0.939 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F13 compound treatment -0.905 -0.776 -1.1 -0.29 -0.219 -0.43 -0.25 -0.199938564026647 -0.385087108940988 -1.1081 -0.8899 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F14 compound treatment -0.107 0.0224 0.03 -0.299 -0.228 -0.45 -0.361 -0.310938564026647 -0.598876126085038 -0.5868 -0.783 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F15 compound treatment -0.77 -0.641 -0.91 -0.109 -0.0376 -0.07 0.061 0.111061435973353 0.213907344498649 -0.4452 -0.4743 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F16 compound treatment -0.475 -0.346 -0.49 -0.587 -0.516 -1.02 -0.42 -0.369938564026647 -0.712511729792236 -1.2828 -0.96 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F17 mock treatment -0.175 -0.0456 -0.06 -0.224 -0.153 -0.3 0.172 0.222061435973353 0.427696361642699 0.0356 0.0675 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F18 mock treatment -0.288 -0.159 -0.23 -0.371 -0.3 -0.59 -0.701 -0.650938564026647 -1.25372536778754 -1.1955 -0.8512 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F19 compound treatment -0.179 -0.0496 -0.07 -0.015 0.0564 0.11 -0.03 0.020061435973353 0.0386388709841571 0.0459 0.3343 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F20 compound treatment 0.377 0.506 0.72 0.051 0.122 0.24 0.085 0.135061435973353 0.260131996854119 0.7055 0.8787 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F21 compound treatment -0.107 0.0224 0.03 0.125 0.196 0.39 -0.12 -0.069938564026647 -0.134703575348857 0.1646 0.3996 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F22 compound treatment 0.015 0.144 0.21 -0.013 0.0584 0.12 0.038 0.088061435973353 0.169608719324656 0.2831 0.9754 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F23 compound treatment -0.015 0.114 0.16 -0.352 -0.281 -0.55 -0.534 -0.483938564026647 -0.932078828480721 -0.7641 -0.6969 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 F24 compound treatment 0.015 0.144 0.21 -0.016 0.0554 0.11 -0.085 -0.034938564026647 -0.0672926239971292 0.1429 0.5899 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G01 compound treatment 0.295 0.424 0.6 0.532 0.603 1.19 -0.096 -0.045938564026647 -0.0884789229933864 0.9852 0.7361 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G02 compound treatment -0.537 -0.408 -0.58 -0.288 -0.217 -0.43 -0.191 -0.140938564026647 -0.27145150523379 -0.7382 -0.9591 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G03 mock treatment 0.0 0.129 0.18 0.029 0.1 0.2 0.197 0.247061435973353 0.475847041179648 0.4955 0.9052 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G04 mock treatment -0.561 -0.432 -0.61 -0.07 0.00144 0.0 -0.772 -0.721938564026647 -1.39047329767247 -1.1554 -0.7602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G05 compound treatment -0.361 -0.232 -0.33 -0.545 -0.474 -0.94 -0.356 -0.305938564026647 -0.589245990177649 -1.0702 -0.928 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G06 compound treatment 0.093 0.222 0.32 -0.309 -0.238 -0.47 -0.081 -0.030938564026647 -0.0595885152712175 -0.1227 -0.2156 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G07 compound treatment 0.013 0.142 0.2 0.155 0.226 0.45 0.324 0.374061435973353 0.720452493227345 0.791 0.9074 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G08 compound treatment 0.0 0.129 0.18 -0.302 -0.231 -0.46 -0.014 0.036061435973353 0.069455305887804 -0.1165 -0.2349 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G09 compound treatment -0.277 -0.148 -0.21 0.549 0.62 1.23 0.13 0.180061435973353 0.346803220020626 0.7864 0.6094 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G10 compound treatment 0.149 0.278 0.4 0.222 0.293 0.58 0.247 0.297061435973353 0.572148400253544 0.8934 0.9867 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G11 compound treatment -0.125 0.00441 0.01 0.038 0.109 0.22 0.101 0.151061435973353 0.290948431757766 0.2964 0.8176 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G12 compound treatment -0.182 -0.0526 -0.07 -0.763 -0.692 -1.37 -2.152 -2.10193856402665 -4.04839080811201 -3.1689 -0.7416 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G13 compound treatment -0.66 -0.531 -0.75 -0.286 -0.215 -0.42 -0.143 -0.092938564026647 -0.179002200522849 -0.7835 -0.8868 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G14 compound treatment -0.208 -0.0786 -0.11 -0.014 0.0574 0.11 -0.088 -0.037938564026647 -0.073070705541563 -0.0412 -0.2353 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G15 compound treatment 0.0 0.129 0.18 -0.03 0.0414 0.08 0.102 0.152061435973353 0.292874458939244 0.3226 0.9075 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G16 compound treatment 0.226 0.355 0.51 0.258 0.329 0.65 0.214 0.264061435973353 0.508589503264772 0.9609 0.9926 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G17 compound treatment -0.276 -0.147 -0.21 0.047 0.118 0.23 0.119 0.169061435973353 0.325616921024369 0.2027 0.4486 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G18 compound treatment -0.532 -0.403 -0.57 -0.6 -0.529 -1.04 -0.389 -0.338938564026647 -0.65280488716642 -1.3099 -0.9649 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G19 mock treatment -0.013 0.116 0.17 -0.59 -0.519 -1.02 0.171 0.221061435973353 0.425770334461221 -0.2498 -0.2228 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G20 mock treatment -0.141 -0.0116 -0.02 0.0 0.0714 0.14 -0.071 -0.020938564026647 -0.0403282434564381 0.0486 0.3295 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G21 compound treatment 0.082 0.211 0.3 0.205 0.276 0.55 -0.167 -0.116938564026647 -0.22522685287832 0.3586 0.5413 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G22 compound treatment -0.2 -0.0706 -0.1 -0.471 -0.4 -0.79 -0.386 -0.335938564026647 -0.647026805621987 -0.887 -0.8652 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G23 compound treatment 0.156 0.285 0.41 -0.247 -0.176 -0.35 -0.436 -0.385938564026647 -0.743328164695883 -0.395 -0.4317 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 G24 compound treatment -0.103 0.0264 0.04 -0.164 -0.0926 -0.18 -0.156 -0.105938564026647 -0.204040553882062 -0.2016 -0.7293 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H01 compound treatment 0.429 0.558 0.79 0.205 0.276 0.55 -0.032 0.018061435973353 0.0347868166212012 0.7936 0.8232 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H02 compound treatment 0.804 0.933 1.33 0.895 0.966 1.91 0.581 0.631061435973353 1.21544147886717 2.5697 0.9797 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H03 mock treatment -0.485 -0.356 -0.51 -1.174 -1.1 -2.18 -0.828 -0.777938564026647 -1.49833081983523 -2.4139 -0.8971 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H04 mock treatment -0.298 -0.169 -0.24 -0.645 -0.574 -1.13 -0.102 -0.051938564026647 -0.100035086082254 -0.85 -0.7316 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H05 compound treatment 0.649 0.778 1.11 -0.406 -0.335 -0.66 0.016 0.066061435973353 0.127236121332142 0.331 0.2556 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H06 compound treatment -0.313 -0.184 -0.26 -0.147 -0.0756 -0.15 -0.466 -0.415938564026647 -0.801108980140221 -0.6994 -0.8173 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H07 compound treatment -0.644 -0.515 -0.73 -0.752 -0.681 -1.34 -0.317 -0.266938564026647 -0.514130930100009 -1.4951 -0.9263 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H08 compound treatment -0.759 -0.63 -0.9 -0.374 -0.303 -0.6 -0.918 -0.867938564026647 -1.67167326616825 -1.8269 -0.9189 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H09 compound treatment 0.182 0.311 0.44 -0.608 -0.537 -1.06 -0.493 -0.442938564026647 -0.853111714040125 -0.8486 -0.5932 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H10 compound treatment 0.446 0.575 0.82 0.314 0.385 0.76 0.13 0.180061435973353 0.346803220020626 1.112 0.9504 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H11 compound treatment -0.079 0.0504 0.07 -1.293 -1.22 -2.41 -1.478 -1.42793856402665 -2.75024848779589 -2.939 -0.8033 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H12 compound treatment -0.048 0.0814 0.12 0.081 0.152 0.3 -0.028 0.022061435973353 0.0424909253471129 0.2651 0.8151 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H13 compound treatment -0.442 -0.313 -0.44 0.237 0.308 0.61 -0.07 -0.019938564026647 -0.0384022162749602 0.0728 0.0965 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H14 compound treatment 0.481 0.61 0.87 0.51 0.581 1.15 -0.203 -0.152938564026647 -0.294563831411525 0.9938 0.6765 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H15 compound treatment -0.132 -0.00259 0.0 -0.349 -0.278 -0.55 -0.432 -0.381938564026647 -0.735624055969971 -0.7433 -0.8102 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H16 compound treatment 0.161 0.29 0.41 0.175 0.246 0.49 0.031 0.081061435973353 0.156126529054311 0.6095 0.9277 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H17 compound treatment -0.283 -0.154 -0.22 0.319 0.39 0.77 -0.328 -0.277938564026647 -0.535317229096267 0.01 0.0103 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H18 compound treatment -0.672 -0.543 -0.77 -0.576 -0.505 -1.0 -0.366 -0.315938564026647 -0.608506261992428 -1.3719 -0.9804 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H19 mock treatment 0.425 0.554 0.79 0.258 0.329 0.65 0.26 0.310061435973353 0.597186753612757 1.1754 0.993 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H20 mock treatment -0.554 -0.425 -0.6 -0.18 -0.109 -0.21 -0.141 -0.090938564026647 -0.175150146159893 -0.5734 -0.8634 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H21 compound treatment 0.488 0.617 0.88 1.052 1.12 2.16 1.157 1.20706143597335 2.16236330573468 3.0048 0.9441 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H22 compound treatment 0.219 0.348 0.5 0.309 0.38 0.75 0.338 0.388061435973353 0.747416873768036 1.1512 0.9842 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H23 compound treatment -0.657 -0.528 -0.75 -0.702 -0.631 -1.25 -0.5 -0.449938564026647 -0.866593904310471 -1.6522 -0.9763 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 H24 compound treatment 0.648 0.777 1.11 -0.522 -0.451 -0.89 -0.63 -0.579938564026647 -1.1169774379026 -0.5204 -0.2882 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I01 compound treatment -0.403 -0.274 -0.39 -0.218 -0.147 -0.29 0.333 0.383061435973353 0.737786737860646 0.0343 0.0389 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I02 compound treatment 0.478 0.607 0.86 -0.229 -0.158 -0.31 0.26 0.310061435973353 0.597186753612757 0.6638 0.6061 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I03 compound treatment -0.579 -0.45 -0.64 -0.458 -0.387 -0.76 -0.333 -0.282938564026647 -0.544947365003656 -1.1244 -0.9906 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I04 compound treatment -0.549 -0.42 -0.6 -0.111 -0.0396 -0.08 -0.167 -0.116938564026647 -0.22522685287832 -0.5196 -0.8087 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I05 mock treatment -0.538 -0.409 -0.58 -0.424 -0.353 -0.7 -0.362 -0.311938564026647 -0.600802153266516 -1.0842 -0.9968 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I06 mock treatment -0.5 -0.371 -0.53 -1.058 -0.987 -1.95 -1.02 -0.969938564026647 -1.868128038679 -2.5074 -0.9118 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I07 compound treatment -0.4 -0.271 -0.38 -0.736 -0.665 -1.31 -0.922 -0.871938564026647 -1.67937737489416 -1.9493 -0.9001 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I08 compound treatment 0.0 0.129 0.18 0.962 1.03 2.04 1.012 1.06206143597335 2.03384703512682 2.4586 0.8516 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I09 compound treatment -0.095 0.0344 0.05 -0.037 0.0344 0.07 0.083 0.133061435973353 0.256279942491163 0.2155 0.7991 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I10 compound treatment -0.63 -0.501 -0.71 -0.554 -0.483 -0.95 -0.287 -0.236938564026647 -0.456350114655671 -1.2245 -0.9613 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I11 compound treatment 0.072 0.201 0.29 -0.286 -0.215 -0.42 -0.395 -0.344938564026647 -0.664361050255288 -0.4628 -0.5521 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I12 compound treatment -0.103 0.0264 0.04 -0.649 -0.578 -1.14 -0.625 -0.574938564026647 -1.10734730199521 -1.2761 -0.8025 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I13 compound treatment -0.507 -0.378 -0.54 0.196 0.267 0.53 0.48 0.530061435973353 1.0209127335379 0.5843 0.4606 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I14 compound treatment -0.493 -0.364 -0.52 -0.468 -0.397 -0.78 -0.194 -0.143938564026647 -0.277229586778224 -0.9106 -0.9307 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I15 compound treatment 0.385 0.514 0.73 -0.276 -0.205 -0.4 0.506 0.556061435973353 1.07098944025633 0.8074 0.5944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I16 compound treatment -0.477 -0.348 -0.49 -0.29 -0.219 -0.43 -0.556 -0.505938564026647 -0.974451426473235 -1.0971 -0.9339 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I17 compound treatment -0.289 -0.16 -0.23 -0.194 -0.123 -0.24 -0.915 -0.864938564026647 -1.66589518462381 -1.2325 -0.7256 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I18 compound treatment 0.638 0.767 1.09 0.471 0.542 1.07 0.798 0.848061435973353 1.63338937724788 2.1913 0.9795 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I19 compound treatment -0.27 -0.141 -0.2 0.64 0.711 1.4 0.714 0.764061435973353 1.47160309400374 1.5453 0.7559 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I20 compound treatment 0.188 0.317 0.45 -0.132 -0.0606 -0.12 -0.222 -0.171938564026647 -0.331158347859606 3.0E-4 6.0E-4 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I21 mock treatment -0.076 0.0534 0.08 0.019 0.0904 0.18 0.116 0.166061435973353 0.319838839479935 0.3316 0.8864 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I22 mock treatment -0.626 -0.497 -0.71 -0.373 -0.302 -0.6 -0.337 -0.286938564026647 -0.552651473729568 -1.0705 -0.9946 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I23 compound treatment -0.486 -0.357 -0.51 0.97 1.04 2.06 3.261 3.31106143597335 3.10295275744467 2.686 0.715 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 I24 compound treatment -0.803 -0.674 -0.96 -0.375 -0.304 -0.6 -0.122 -0.071938564026647 -0.138555629711813 -0.979 -0.8601 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J01 compound treatment -1.0 -0.871 -1.24 -0.34 -0.269 -0.53 -0.226 -0.175938564026647 -0.338862456585518 -1.2164 -0.876 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J02 compound treatment -0.32 -0.191 -0.27 -0.305 -0.234 -0.46 -0.042 0.00806143597335299 0.0155265448064219 -0.4137 -0.7732 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J03 compound treatment -0.395 -0.266 -0.38 -0.226 -0.155 -0.31 -0.658 -0.607938564026647 -1.17090619898398 -1.0702 -0.8443 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J04 compound treatment -0.652 -0.523 -0.74 -0.264 -0.193 -0.38 -0.333 -0.282938564026647 -0.544947365003656 -0.9631 -0.9662 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J05 mock treatment -0.847 -0.718 -1.02 -0.483 -0.412 -0.81 -0.519 -0.468938564026647 -0.903188420758552 -1.5797 -0.9957 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J06 mock treatment -0.5 -0.371 -0.53 -0.157 -0.0856 -0.17 -0.132 -0.081938564026647 -0.157815901526592 -0.4929 -0.8566 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J07 compound treatment -1.921 -1.79 -2.55 -1.396 -1.32 -2.62 -1.845 -1.79493856402665 -3.45710046339829 -4.9766 -0.9898 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J08 compound treatment -0.099 0.0304 0.04 -0.468 -0.397 -0.78 -0.416 -0.365938564026647 -0.704807621066325 -0.834 -0.791 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J09 compound treatment -0.6 -0.471 -0.67 -0.4 -0.329 -0.65 -0.257 -0.206938564026647 -0.398569299211333 -0.991 -0.9777 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J10 compound treatment 0.09 0.219 0.31 0.109 0.18 0.36 0.244 0.294061435973353 0.56637031870911 0.7128 0.9655 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J11 compound treatment 0.162 0.291 0.41 -0.255 -0.184 -0.36 -0.111 -0.060938564026647 -0.117369330715555 -0.0378 -0.0672 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J12 compound treatment 0.427 0.556 0.79 -0.164 -0.0926 -0.18 -0.203 -0.152938564026647 -0.294563831411525 0.1812 0.2097 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J13 compound treatment -0.815 -0.686 -0.97 -0.299 -0.228 -0.45 -0.103 -0.052938564026647 -0.101961113263732 -0.8811 -0.8172 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J14 compound treatment 0.333 0.462 0.66 0.047 0.118 0.23 -0.07 -0.019938564026647 -0.0384022162749602 0.4924 0.7046 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J15 compound treatment -0.514 -0.385 -0.55 -0.233 -0.162 -0.32 -0.118 -0.067938564026647 -0.130851520985901 -0.5754 -0.8901 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J16 compound treatment 1.3 1.43 1.78 0.885 0.956 1.89 1.297 1.34706143597335 2.27229073331747 3.4286 0.9943 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J17 compound treatment -0.655 -0.526 -0.75 -0.15 -0.0786 -0.16 -0.099 -0.048938564026647 -0.0942570045378202 -0.5754 -0.7483 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J18 compound treatment -0.597 -0.468 -0.66 -0.277 -0.206 -0.41 -0.143 -0.092938564026647 -0.179002200522849 -0.7215 -0.9028 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J19 compound treatment 0.125 0.254 0.36 -0.02 0.0514 0.1 -0.012 0.038061435973353 0.0733073602507598 0.3098 0.8093 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J20 compound treatment -0.465 -0.336 -0.48 0.245 0.316 0.62 0.313 0.363061435973353 0.699266194231088 0.489 0.4647 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J21 mock treatment -0.818 -0.689 -0.98 -0.464 -0.393 -0.78 -0.704 -0.653938564026647 -1.25950344933197 -1.7399 -0.981 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J22 mock treatment -1.077 -0.948 -1.35 -0.491 -0.42 -0.83 -0.76 -0.709938564026647 -1.36736097149473 -2.0456 -0.9784 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J23 compound treatment -0.182 -0.0526 -0.07 -0.41 -0.339 -0.67 -0.766 -0.715938564026647 -1.3789171345836 -1.2252 -0.7986 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 J24 compound treatment -0.157 -0.0276 -0.04 -0.161 -0.0896 -0.18 -0.206 -0.155938564026647 -0.300341912955959 -0.2982 -0.8501 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K01 compound treatment -0.424 -0.295 -0.42 -0.115 -0.0436 -0.09 -0.143 -0.092938564026647 -0.179002200522849 -0.3948 -0.8518 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K02 compound treatment 0.97 1.1 1.56 0.485 0.556 1.1 0.68 0.730061435973353 1.40611816983349 2.3486 0.99 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K03 compound treatment -0.521 -0.392 -0.56 -0.108 -0.0366 -0.07 0.209 0.259061435973353 0.498959367357383 -0.075 -0.0999 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K04 compound treatment 0.05 0.179 0.26 -0.258 -0.187 -0.37 -0.31 -0.259938564026647 -0.500648739829664 -0.3545 -0.5276 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K05 compound treatment -0.519 -0.39 -0.55 -0.148 -0.0766 -0.15 -0.254 -0.203938564026647 -0.3927912176669 -0.6339 -0.9111 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K06 compound treatment -0.29 -0.161 -0.23 -0.034 0.0374 0.07 0.233 0.283061435973353 0.545184019712853 0.2256 0.3788 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K07 mock treatment -0.806 -0.677 -0.96 -0.085 -0.0136 -0.03 -0.484 -0.433938564026647 -0.835777469406824 -1.0534 -0.8264 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K08 mock treatment -0.279 -0.15 -0.21 -0.547 -0.476 -0.94 -0.25 -0.199938564026647 -0.385087108940988 -0.8873 -0.8556 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K09 compound treatment -0.141 -0.0116 -0.02 -0.581 -0.51 -1.01 0.182 0.232061435973353 0.446956633457479 -0.3324 -0.3019 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K10 compound treatment -0.411 -0.282 -0.4 -0.352 -0.281 -0.55 -0.62 -0.569938564026647 -1.09771716608782 -1.1848 -0.9162 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K11 compound treatment -0.306 -0.177 -0.25 -0.271 -0.2 -0.39 -0.065 -0.014938564026647 -0.0287720803675706 -0.3891 -0.8311 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K12 compound treatment -0.078 0.0514 0.07 -0.087 -0.0156 -0.03 0.014 0.064061435973353 0.123384066969186 0.0957 0.6525 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K13 compound treatment -0.533 -0.404 -0.57 -0.279 -0.208 -0.41 -0.213 -0.162938564026647 -0.313824103226304 -0.7491 -0.9706 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K14 compound treatment -0.18 -0.0506 -0.07 0.197 0.268 0.53 0.041 0.091061435973353 0.17538680086909 0.3657 0.6497 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K15 mock treatment 0.093 0.222 0.32 -0.214 -0.143 -0.28 -0.275 -0.224938564026647 -0.433237788477936 -0.2301 -0.3798 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K16 mock treatment -0.51 -0.381 -0.54 0.153 0.224 0.44 -0.282 -0.231938564026647 -0.446719978748282 -0.3145 -0.3789 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K17 compound treatment 0.459 0.588 0.84 0.271 0.342 0.68 0.529 0.579061435973353 1.11528806543032 1.5173 0.9792 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K18 compound treatment -0.447 -0.318 -0.45 -0.382 -0.311 -0.61 -0.144 -0.093938564026647 -0.180928227704327 -0.7192 -0.9188 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K19 compound treatment -0.307 -0.178 -0.25 0.459 0.53 1.05 0.063 0.113061435973353 0.217759398861605 0.5846 0.5319 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K20 compound treatment -0.667 -0.538 -0.76 -0.339 -0.268 -0.53 -0.523 -0.472938564026647 -0.910892529484463 -1.2722 -0.9777 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K21 compound treatment -0.273 -0.144 -0.2 0.75 0.821 1.62 0.5 0.550061435973353 1.05943327716746 1.4302 0.7342 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K22 compound treatment -0.884 -0.755 -1.07 -0.465 -0.394 -0.78 -0.276 -0.225938564026647 -0.435163815659414 -1.3193 -0.9462 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K23 mock treatment -0.761 -0.632 -0.9 -0.5 -0.429 -0.85 -0.632 -0.581938564026647 -1.12082949226556 -1.6541 -0.9923 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 K24 mock treatment -0.031 0.0984 0.14 -0.113 -0.0416 -0.08 -0.722 -0.671938564026647 -1.29417193859857 -0.7138 -0.5473 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L01 compound treatment 0.019 0.148 0.21 -0.045 0.0264 0.05 0.076 0.126061435973353 0.242797752220818 0.2921 0.8965 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L02 compound treatment -0.189 -0.0596 -0.08 0.236 0.307 0.61 -0.045 0.005061435973353 0.00974846326198809 0.3072 0.5011 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L03 compound treatment 0.262 0.391 0.56 1.229 1.3 2.31 0.848 0.898061435973353 1.72969073632178 2.6562 0.9027 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L04 compound treatment -0.48 -0.351 -0.5 -0.714 -0.643 -1.27 -0.632 -0.581938564026647 -1.12082949226556 -1.6674 -0.9448 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L05 compound treatment -0.182 -0.0526 -0.07 0.123 0.194 0.38 -0.034 0.016061435973353 0.0309347622582453 0.1963 0.5004 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L06 compound treatment -0.328 -0.199 -0.28 0.475 0.546 1.08 0.029 0.079061435973353 0.152274474691355 0.5478 0.4867 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L07 mock treatment -0.877 -0.748 -1.06 -0.271 -0.2 -0.39 0.16 0.210061435973353 0.404584035464964 -0.6076 -0.5048 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L08 mock treatment -0.476 -0.347 -0.49 -0.3 -0.229 -0.45 0.25 0.300061435973353 0.577926481797978 -0.2114 -0.2393 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L09 compound treatment -0.092 0.0374 0.05 0.076 0.147 0.29 -0.11 -0.059938564026647 -0.115443303534077 0.1321 0.416 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L10 compound treatment -0.345 -0.216 -0.31 -0.214 -0.143 -0.28 -0.015 0.035061435973353 0.067529278706326 -0.3005 -0.7128 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L11 compound treatment -0.312 -0.183 -0.26 -0.462 -0.391 -0.77 -0.089 -0.038938564026647 -0.0749967327230409 -0.6384 -0.7813 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L12 compound treatment 0.394 0.523 0.74 -0.371 -0.3 -0.59 -0.221 -0.170938564026647 -0.329232320678128 -0.1019 -0.1013 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L13 compound treatment 0.418 0.547 0.78 -0.176 -0.105 -0.21 -0.058 -0.00793856402664701 -0.015289890097225 0.3213 0.399 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L14 compound treatment 0.661 0.79 1.12 0.113 0.184 0.36 0.323 0.373061435973353 0.718526466045867 1.2739 0.9213 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L15 mock treatment -0.018 0.111 0.16 -0.015 0.0564 0.11 -0.098 -0.047938564026647 -0.0923309773563423 0.1025 0.4777 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L16 mock treatment -0.51 -0.381 -0.54 -0.432 -0.361 -0.71 -0.571 -0.520938564026647 -1.0033418341954 -1.3027 -0.9693 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L17 compound treatment -0.053 0.0764 0.11 -0.023 0.0484 0.1 -0.045 0.005061435973353 0.00974846326198809 0.1236 0.8518 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L18 compound treatment 1.187 1.32 1.72 0.028 0.0994 0.2 -0.281 -0.230938564026647 -0.444793951566804 0.8484 0.4752 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L19 compound treatment -0.311 -0.182 -0.26 -0.155 -0.0836 -0.16 -0.263 -0.212938564026647 -0.410125462300201 -0.4811 -0.9398 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L20 compound treatment 0.738 0.867 1.23 0.5 0.571 1.13 0.329 0.379061435973353 0.730082629134735 1.785 0.9786 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L21 compound treatment -0.076 0.0534 0.08 -0.392 -0.321 -0.63 -0.353 -0.302938564026647 -0.583467908633215 -0.6585 -0.7619 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L22 compound treatment -0.879 -0.75 -1.07 -0.711 -0.64 -1.26 -0.574 -0.523938564026647 -1.00911991573984 -1.927 -0.9953 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L23 mock treatment 0.071 0.2 0.28 -0.513 -0.442 -0.87 0.123 0.173061435973353 0.333321029750281 -0.1464 -0.15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 L24 mock treatment -0.319 -0.19 -0.27 -0.392 -0.321 -0.63 -0.242 -0.191938564026647 -0.369678891489164 -0.7345 -0.9405 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M01 compound treatment -0.258 -0.129 -0.18 0.434 0.505 1.0 0.544 0.594061435973353 1.14417847315249 1.1312 0.7397 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M02 compound treatment 0.074 0.203 0.29 -0.422 -0.351 -0.69 0.829 0.879061435973353 1.6930962198737 0.7448 0.4022 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M03 compound treatment -0.376 -0.247 -0.35 0.445 0.516 1.02 -0.22 -0.169938564026647 -0.32730629349665 0.1973 0.1751 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M04 compound treatment 0.513 0.642 0.91 0.985 1.06 2.09 0.67 0.720061435973353 1.38685789801871 2.5324 0.9498 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M05 compound treatment -1.081 -0.952 -1.35 -0.824 -0.753 -1.49 -1.745 -1.69493856402665 -3.2644977452505 -3.5238 -0.9192 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M06 compound treatment 0.505 0.634 0.9 0.359 0.43 0.85 0.17 0.220061435973353 0.423844307279743 1.2562 0.9591 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M07 compound treatment 0.324 0.453 0.64 -0.82 -0.749 -1.48 -0.777 -0.726938564026647 -1.40010343357986 -1.2895 -0.6038 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M08 compound treatment -0.153 -0.0236 -0.03 -0.283 -0.212 -0.42 -0.308 -0.257938564026647 -0.496796685466708 -0.5474 -0.8422 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M09 mock treatment 0.082 0.211 0.3 0.093 0.164 0.32 -0.076 -0.025938564026647 -0.0499583793638278 0.3322 0.746 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M10 mock treatment -0.286 -0.157 -0.22 -0.338 -0.267 -0.53 -0.444 -0.393938564026647 -0.758736382147707 -0.8705 -0.9164 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M11 compound treatment 1.82 1.95 2.0 0.42 0.491 0.97 0.667 0.717061435973353 1.38107981647428 2.5101 0.9602 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M12 compound treatment -0.305 -0.176 -0.25 0.018 0.0894 0.18 0.162 0.212061435973353 0.40843608982792 0.1936 0.3795 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M13 mock treatment -0.439 -0.31 -0.44 -0.308 -0.237 -0.47 0.218 0.268061435973353 0.516293611990684 -0.2257 -0.274 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M14 mock treatment -0.515 -0.386 -0.55 -0.272 -0.201 -0.4 -0.329 -0.278938564026647 -0.537243256277745 -0.8553 -0.9903 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M15 compound treatment 0.92 1.05 1.49 0.354 0.425 0.84 0.48 0.530061435973353 1.0209127335379 1.9358 0.9711 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M16 compound treatment 1.213 1.34 1.73 1.254 1.33 2.33 1.076 1.12606143597335 2.09259997656438 3.5557 0.9928 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M17 compound treatment -0.222 -0.0926 -0.13 0.671 0.742 1.47 0.291 0.341061435973353 0.656893596238573 1.1496 0.7133 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M18 compound treatment -0.452 -0.323 -0.46 -0.328 -0.257 -0.51 -0.09 -0.039938564026647 -0.0769227599045188 -0.6017 -0.875 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M19 compound treatment 1.057 1.19 1.64 0.97 1.04 2.06 -0.037 0.013061435973353 0.0251566807138115 2.1497 0.8169 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M20 compound treatment 0.566 0.695 0.99 0.741 0.812 1.6 0.734 0.784061435973353 1.5101236376333 2.3689 0.981 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M21 compound treatment 0.703 0.832 1.18 0.055 0.126 0.25 -0.237 -0.186938564026647 -0.360048755581775 0.6196 0.4909 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M22 compound treatment -0.367 -0.238 -0.34 -1.652 -1.58 -3.12 -1.77 -1.71993856402665 -3.31264842478744 -3.9094 -0.8566 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M23 compound treatment -0.423 -0.294 -0.42 0.687 0.758 1.5 -0.16 -0.109938564026647 -0.211744662607974 0.5014 0.3195 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 M24 compound treatment -0.291 -0.162 -0.23 -0.22 -0.149 -0.29 -0.28 -0.229938564026647 -0.442867924385326 -0.5577 -0.9636 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N01 compound treatment 1.794 1.92 1.99 1.382 1.45 2.43 0.902 0.952061435973353 1.83369620412159 3.6075 0.9928 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N02 compound treatment 0.185 0.314 0.45 0.308 0.379 0.75 0.32 0.370061435973353 0.712748384501433 1.1021 0.9783 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N03 compound treatment 0.0 0.129 0.18 0.355 0.426 0.84 0.38 0.430061435973353 0.828310015390109 1.0706 0.8956 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N04 compound treatment 1.243 1.37 1.75 0.239 0.31 0.61 1.776 1.82606143597335 2.57125588618929 2.8478 0.8986 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N05 compound treatment -0.172 -0.0426 -0.06 0.542 0.613 1.21 0.419 0.469061435973353 0.903425075467748 1.1859 0.7842 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N06 compound treatment -0.738 -0.609 -0.87 0.295 0.366 0.72 0.01 0.060061435973353 0.115679958243274 -0.015 -0.0133 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N07 compound treatment -0.429 -0.3 -0.43 -0.367 -0.296 -0.58 -0.541 -0.490938564026647 -0.945561018751066 -1.1288 -0.9486 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N08 compound treatment -0.591 -0.462 -0.66 -0.964 -0.893 -1.76 -0.76 -0.709938564026647 -1.36736097149473 -2.1859 -0.9401 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N09 mock treatment -0.494 -0.365 -0.52 -0.418 -0.347 -0.68 -0.236 -0.185938564026647 -0.358122728400297 -0.9011 -0.9688 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N10 mock treatment 0.145 0.274 0.39 0.069 0.14 0.28 0.227 0.277061435973353 0.533627856623985 0.6934 0.9673 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N11 compound treatment -0.326 -0.197 -0.28 0.231 0.302 0.6 0.051 0.101061435973353 0.19464707268387 0.2958 0.4302 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N12 compound treatment -1.0 -0.871 -1.24 -0.017 0.0544 0.11 0.206 0.256061435973353 0.493181285812949 -0.3678 -0.2752 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N13 mock treatment -0.253 -0.124 -0.18 -0.338 -0.267 -0.53 -0.165 -0.114938564026647 -0.221374798515364 -0.5331 -0.8924 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N14 mock treatment 0.147 0.276 0.39 -0.484 -0.413 -0.81 -0.115 -0.064938564026647 -0.125073439441467 -0.3156 -0.3457 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N15 compound treatment 0.005 0.134 0.19 0.061 0.132 0.26 0.257 0.307061435973353 0.591408672068323 0.6028 0.8939 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N16 compound treatment -0.38 -0.251 -0.36 -0.256 -0.185 -0.36 0.0 0.050061435973353 0.096419686428495 -0.3604 -0.6949 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N17 compound treatment -0.203 -0.0736 -0.1 0.051 0.122 0.24 -0.068 -0.017938564026647 -0.0345501619120044 0.0592 0.2229 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N18 compound treatment -0.258 -0.129 -0.18 -0.121 -0.0496 -0.1 0.097 0.147061435973353 0.283244323031854 0.0015 0.0042 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N19 compound treatment 0.444 0.573 0.82 0.082 0.153 0.3 0.557 0.607061435973353 1.1692168265117 1.3207 0.9063 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N20 compound treatment 0.703 0.832 1.18 0.95 1.02 2.02 1.284 1.33406143597335 2.26260154346614 3.154 0.9693 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N21 compound treatment -0.423 -0.294 -0.42 -0.055 0.0164 0.03 -0.301 -0.250938564026647 -0.483314495196362 -0.5013 -0.784 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N22 compound treatment -0.322 -0.193 -0.27 -0.304 -0.233 -0.46 -0.382 -0.331938564026647 -0.639322696896075 -0.7923 -0.9507 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N23 compound treatment 0.105 0.234 0.33 0.373 0.444 0.88 0.238 0.288061435973353 0.554814155620243 1.0194 0.9349 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 N24 compound treatment 0.455 0.584 0.83 -0.429 -0.358 -0.71 -0.216 -0.165938564026647 -0.319602184770738 -0.1124 -0.0989 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O01 compound treatment -0.4 -0.271 -0.38 0.565 0.636 1.26 -0.116 -0.065938564026647 -0.126999466622945 0.4301 0.3257 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O02 compound treatment 0.156 0.285 0.41 0.167 0.238 0.47 0.411 0.461061435973353 0.888016858015925 1.0188 0.9399 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O03 compound treatment -0.243 -0.114 -0.16 -0.265 -0.194 -0.38 -0.362 -0.311938564026647 -0.600802153266516 -0.6608 -0.905 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O04 compound treatment -0.5 -0.371 -0.53 0.0 0.0714 0.14 0.391 0.441061435973353 0.849496314386366 0.2677 0.2652 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O05 compound treatment -0.585 -0.456 -0.65 -0.284 -0.213 -0.42 -0.353 -0.302938564026647 -0.583467908633215 -0.9532 -0.9851 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O06 compound treatment 0.662 0.791 1.13 0.782 0.853 1.69 -0.144 -0.093938564026647 -0.180928227704327 1.5181 0.7462 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O07 compound treatment -0.348 -0.219 -0.31 -0.095 -0.0236 -0.05 -0.577 -0.526938564026647 -1.01489799728427 -0.7922 -0.7457 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O08 compound treatment 0.065 0.194 0.28 0.066 0.137 0.27 -0.118 -0.067938564026647 -0.130851520985901 0.2407 0.5887 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O09 compound treatment 0.113 0.242 0.34 -0.455 -0.384 -0.76 -0.048 0.002061435973353 0.00397038171755429 -0.236 -0.2836 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O10 compound treatment -0.159 -0.0296 -0.04 -0.438 -0.367 -0.72 -0.108 -0.057938564026647 -0.111591249171122 -0.5066 -0.6906 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O11 mock treatment -0.077 0.0524 0.07 -0.099 -0.0276 -0.05 0.053 0.103061435973353 0.198499127046825 0.1262 0.5765 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O12 mock treatment -0.233 -0.104 -0.15 0.048 0.119 0.24 0.028 0.078061435973353 0.150348447509877 0.1379 0.4364 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O13 compound treatment 0.736 0.865 1.23 -0.314 -0.243 -0.48 0.588 0.638061435973353 1.22892366913752 1.1434 0.6339 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O14 compound treatment -0.406 -0.277 -0.39 -0.867 -0.796 -1.57 -0.282 -0.231938564026647 -0.446719978748282 -1.3919 -0.8286 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O15 compound treatment -0.361 -0.232 -0.33 -0.183 -0.112 -0.22 -0.319 -0.268938564026647 -0.517982984462965 -0.6163 -0.9451 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O16 compound treatment 0.651 0.78 1.11 0.171 0.242 0.48 0.928 0.978061435973353 1.88377291084002 2.0046 0.8957 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O17 compound treatment -0.564 -0.435 -0.62 -0.324 -0.253 -0.5 0.075 0.125061435973353 0.24087172503934 -0.5056 -0.6093 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O18 compound treatment -0.671 -0.542 -0.77 -0.279 -0.208 -0.41 0.234 0.284061435973353 0.547110046894331 -0.3653 -0.3548 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O19 compound treatment -0.573 -0.444 -0.63 0.121 0.192 0.38 -0.583 -0.532938564026647 -1.02645416037314 -0.7374 -0.5837 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O20 compound treatment -0.286 -0.157 -0.22 0.246 0.317 0.63 0.091 0.141061435973353 0.271688159942987 0.3902 0.5431 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O21 compound treatment -1.049 -0.92 -1.31 -1.946 -1.87 -3.7 -2.67 -2.61993856402665 -5.04607288811758 -5.8052 -0.908 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O22 compound treatment 0.097 0.226 0.32 0.138 0.209 0.41 0.183 0.233061435973353 0.448882660638956 0.6838 0.9909 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O23 compound treatment -0.518 -0.389 -0.55 -0.38 -0.309 -0.61 -1.263 -1.21293856402665 -2.33615264377813 -2.0195 -0.8154 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 O24 compound treatment -0.091 0.0384 0.05 -0.066 0.00544 0.01 -0.493 -0.442938564026647 -0.853111714040125 -0.4548 -0.532 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P01 compound treatment -0.226 -0.0966 -0.14 -0.874 -0.803 -1.58 0.028 0.078061435973353 0.150348447509877 -0.9074 -0.5679 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P02 compound treatment 0.691 0.82 1.17 0.904 0.975 1.93 0.414 0.464061435973353 0.893794939560359 2.3015 0.95 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P03 compound treatment 0.292 0.421 0.6 0.269 0.34 0.67 0.327 0.377061435973353 0.726230574771779 1.1533 0.997 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P04 compound treatment -0.043 0.0864 0.12 -0.237 -0.166 -0.33 1.554 1.60406143597335 2.44532167665174 1.294 0.5239 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P05 compound treatment -0.491 -0.362 -0.51 0.089 0.16 0.32 -0.133 -0.082938564026647 -0.15974192870807 -0.2061 -0.33 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P06 compound treatment -0.092 0.0374 0.05 -0.554 -0.483 -0.95 -0.374 -0.323938564026647 -0.623914479444251 -0.8796 -0.7715 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P07 compound treatment -0.577 -0.448 -0.64 0.143 0.214 0.42 -0.683 -0.632938564026647 -1.21905687852093 -0.8268 -0.5746 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P08 compound treatment 0.0 0.129 0.18 -0.183 -0.112 -0.22 -0.258 -0.207938564026647 -0.400495326392811 -0.2522 -0.5118 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P09 compound treatment -0.033 0.0964 0.14 -0.008 0.0634 0.13 -0.273 -0.222938564026647 -0.42938573411498 -0.0964 -0.2062 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P10 compound treatment 0.053 0.182 0.26 -0.222 -0.151 -0.3 -0.157 -0.106938564026647 -0.20596658106354 -0.1408 -0.3164 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P11 mock treatment -0.093 0.0364 0.05 0.427 0.498 0.98 -0.027 0.023061435973353 0.0444169525285909 0.6237 0.6323 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P12 mock treatment -0.258 -0.129 -0.18 -0.425 -0.354 -0.7 -0.246 -0.195938564026647 -0.377383000215076 -0.7265 -0.8921 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P13 compound treatment 0.0 0.129 0.18 0.14 0.211 0.42 0.17 0.220061435973353 0.423844307279743 0.592 0.9506 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P14 compound treatment -0.216 -0.0866 -0.12 -0.282 -0.211 -0.42 -0.297 -0.246938564026647 -0.475610386470451 -0.5857 -0.9101 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P15 compound treatment -0.043 0.0864 0.12 -0.119 -0.0476 -0.09 -0.143 -0.092938564026647 -0.179002200522849 -0.0866 -0.3663 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P16 compound treatment -0.562 -0.433 -0.62 -0.295 -0.224 -0.44 -0.167 -0.116938564026647 -0.22522685287832 -0.74 -0.9369 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P17 compound treatment -0.259 -0.13 -0.18 -0.156 -0.0846 -0.17 -0.049 0.00106143597335299 0.00204435453607635 -0.2016 -0.8107 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P18 compound treatment -0.031 0.0984 0.14 -0.117 -0.0456 -0.09 -0.223 -0.172938564026647 -0.333084375041084 -0.1635 -0.4391 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P19 compound treatment 0.0 0.129 0.18 0.019 0.0904 0.18 -0.257 -0.206938564026647 -0.398569299211333 -0.0208 -0.0439 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P20 compound treatment -0.341 -0.212 -0.3 -0.246 -0.175 -0.34 -0.403 -0.352938564026647 -0.679769267707112 -0.7652 -0.9338 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P21 compound treatment -0.012 0.117 0.17 -0.436 -0.365 -0.72 0.329 0.379061435973353 0.730082629134735 0.1023 0.0985 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P22 compound treatment 0.31 0.439 0.62 0.163 0.234 0.46 0.197 0.247061435973353 0.475847041179648 0.9027 0.9902 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P23 compound treatment -0.111 0.0184 0.03 -0.349 -0.278 -0.55 -0.156 -0.105938564026647 -0.204040553882062 -0.4191 -0.716 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2293 P24 compound treatment -0.159 -0.0296 -0.04 -0.493 -0.422 -0.83 -0.031 0.019061435973353 0.0367128438026791 -0.4837 -0.5798 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A01 compound treatment -1.507 -1.38 -1.96 -0.51 -0.439 -0.87 0.225 0.275061435973353 0.52977580226103 -1.3249 -0.6006 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A02 compound treatment -1.089 -0.96 -1.36 -0.151 -0.0796 -0.16 -0.16 -0.109938564026647 -0.211744662607974 -1.0006 -0.7201 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A03 compound treatment 0.657 0.786 1.12 0.028 0.0994 0.2 0.373 0.423061435973353 0.814827825119764 1.2293 0.8797 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A04 compound treatment -0.506 -0.377 -0.54 -0.516 -0.445 -0.88 -0.872 -0.821938564026647 -1.58307601582026 -1.7299 -0.9164 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A05 compound treatment -0.989 -0.86 -1.22 0.506 0.577 1.14 -0.45 -0.399938564026647 -0.770292545236574 -0.4921 -0.2674 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A06 compound treatment -0.474 -0.345 -0.49 -0.357 -0.286 -0.56 -0.083 -0.032938564026647 -0.0634405696341733 -0.645 -0.8604 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A07 compound treatment -0.798 -0.669 -0.95 -0.536 -0.465 -0.92 -0.508 -0.457938564026647 -0.882002121762294 -1.5876 -0.9995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A08 compound treatment -0.276 -0.147 -0.21 -0.679 -0.608 -1.2 -0.942 -0.891938564026647 -1.71789791852372 -1.8048 -0.8571 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A09 compound treatment -0.185 -0.0556 -0.08 -0.037 0.0344 0.07 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.0074 -0.0711 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A10 compound treatment -0.617 -0.488 -0.69 -0.267 -0.196 -0.39 -0.353 -0.302938564026647 -0.583467908633215 -0.9601 -0.9747 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A11 compound treatment -0.132 -0.00259 0.0 0.107 0.178 0.35 -0.15 -0.099938564026647 -0.192484390793195 0.0902 0.2246 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A12 compound treatment -0.087 0.0424 0.06 -0.079 -0.00756 -0.01 -0.125 -0.074938564026647 -0.144333711256246 -0.0571 -0.3636 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A13 mock treatment -0.694 -0.565 -0.8 -0.173 -0.102 -0.2 -0.174 -0.123938564026647 -0.238709043148665 -0.7171 -0.8327 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A14 mock treatment -0.6 -0.471 -0.67 0.246 0.317 0.63 -0.421 -0.370938564026647 -0.714437756973714 -0.4369 -0.3759 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A15 compound treatment 0.478 0.607 0.86 -0.103 -0.0316 -0.06 0.506 0.556061435973353 1.07098944025633 1.081 0.7849 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A16 compound treatment -0.125 0.00441 0.01 0.017 0.0884 0.17 -0.141 -0.090938564026647 -0.175150146159893 0.0033 0.0134 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A17 compound treatment -0.247 -0.118 -0.17 -0.986 -0.915 -1.81 -0.679 -0.628938564026647 -1.21135276979502 -1.8385 -0.843 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A18 compound treatment -0.435 -0.306 -0.43 -0.574 -0.503 -0.99 -0.808 -0.757938564026647 -1.45981027620567 -1.6666 -0.9168 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A19 compound treatment -0.053 0.0764 0.11 -0.625 -0.554 -1.09 -0.629 -0.578938564026647 -1.11505141072112 -1.2121 -0.7744 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A20 compound treatment -0.397 -0.268 -0.38 -0.25 -0.179 -0.35 -0.489 -0.438938564026647 -0.845407605314214 -0.9113 -0.9188 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A21 compound treatment -0.182 -0.0526 -0.07 -0.132 -0.0606 -0.12 -0.193 -0.142938564026647 -0.275303559596746 -0.2712 -0.8766 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A22 compound treatment 0.118 0.247 0.35 0.103 0.174 0.34 -0.405 -0.354938564026647 -0.683621322070067 0.0073 0.0086 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A23 compound treatment -0.942 -0.813 -1.16 -0.463 -0.392 -0.77 -0.5 -0.449938564026647 -0.866593904310471 -1.6137 -0.9851 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 A24 compound treatment -0.818 -0.689 -0.98 -0.721 -0.65 -1.28 -0.835 -0.784938564026647 -1.51181301010558 -2.1786 -0.9853 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B01 compound treatment 0.119 0.248 0.35 0.281 0.352 0.7 0.164 0.214061435973353 0.412288144190876 0.8437 0.9559 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B02 compound treatment -0.636 -0.507 -0.72 -0.492 -0.421 -0.83 -0.213 -0.162938564026647 -0.313824103226304 -1.0765 -0.9416 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B03 compound treatment -1.552 -1.42 -2.02 -1.738 -1.67 -3.29 -1.743 -1.69293856402665 -3.26064569088754 -4.9501 -0.9793 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B04 compound treatment -0.453 -0.324 -0.46 -0.21 -0.139 -0.27 -0.185 -0.134938564026647 -0.259895342144922 -0.5736 -0.964 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B05 compound treatment 0.032 0.161 0.23 -0.033 0.0384 0.08 0.122 0.172061435973353 0.331395002568803 0.3676 0.8963 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B06 compound treatment -0.82 -0.691 -0.98 -0.363 -0.292 -0.58 -0.581 -0.530938564026647 -1.02260210601018 -1.4897 -0.9736 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B07 compound treatment 0.017 0.146 0.21 0.216 0.287 0.57 0.448 0.498061435973353 0.959279863730608 1.0017 0.8834 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B08 compound treatment -0.324 -0.195 -0.28 0.019 0.0904 0.18 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.0577 -0.1752 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B09 compound treatment -1.165 -1.04 -1.47 -0.655 -0.584 -1.15 -0.551 -0.500938564026647 -0.964821290565845 -2.0724 -0.985 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B10 compound treatment -0.075 0.0544 0.08 0.086 0.157 0.31 0.12 0.170061435973353 0.327542948205847 0.4132 0.902 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B11 compound treatment -0.446 -0.317 -0.45 -0.342 -0.271 -0.53 -0.475 -0.424938564026647 -0.818443224773522 -1.0408 -0.9673 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B12 compound treatment 0.266 0.395 0.56 -0.086 -0.0146 -0.03 0.0 0.050061435973353 0.096419686428495 0.3636 0.6367 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B13 mock treatment 0.155 0.284 0.4 -0.088 -0.0166 -0.03 -0.016 0.034061435973353 0.0656032515248481 0.2525 0.6143 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B14 mock treatment -0.21 -0.0806 -0.11 -0.262 -0.191 -0.38 -0.208 -0.157938564026647 -0.304193967318915 -0.459 -0.9231 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B15 compound treatment 0.481 0.61 0.87 0.306 0.377 0.75 0.304 0.354061435973353 0.681931949597786 1.3251 0.9949 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B16 compound treatment 0.671 0.8 1.14 -0.045 0.0264 0.05 -0.24 -0.189938564026647 -0.365826837126209 0.476 0.3978 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B17 compound treatment -0.339 -0.21 -0.3 -0.129 -0.0576 -0.11 0.092 0.142061435973353 0.273614187124465 -0.0797 -0.1897 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B18 compound treatment -0.063 0.0664 0.09 0.01 0.0814 0.16 -0.342 -0.291938564026647 -0.562281609636958 -0.1773 -0.2993 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B19 compound treatment -0.017 0.112 0.16 0.122 0.193 0.38 0.013 0.063061435973353 0.121458039787708 0.3829 0.8874 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B20 compound treatment -0.397 -0.268 -0.38 -0.275 -0.204 -0.4 -0.5 -0.449938564026647 -0.866593904310471 -0.952 -0.9259 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B21 compound treatment -0.618 -0.489 -0.69 -0.536 -0.465 -0.92 -0.636 -0.585938564026647 -1.12853360099147 -1.5822 -0.9817 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B22 compound treatment 0.179 0.308 0.44 0.148 0.219 0.43 0.096 0.146061435973353 0.281318295850376 0.6657 0.9825 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B23 compound treatment -0.2 -0.0706 -0.1 -0.238 -0.167 -0.33 -0.296 -0.245938564026647 -0.473684359288973 -0.5213 -0.8906 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 B24 compound treatment -0.032 0.0974 0.14 -0.806 -0.735 -1.45 -1.2 -1.14993856402665 -2.21481293134502 -2.0362 -0.768 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C01 compound treatment 0.529 0.658 0.94 0.681 0.752 1.49 -0.389 -0.338938564026647 -0.65280488716642 1.0213 0.5452 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C02 compound treatment -0.633 -0.504 -0.72 -0.305 -0.234 -0.46 -0.521 -0.470938564026647 -0.907040475121507 -1.2033 -0.9671 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C03 compound treatment 0.377 0.506 0.72 -0.12 -0.0486 -0.1 -0.116 -0.065938564026647 -0.126999466622945 0.287 0.3892 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C04 compound treatment -1.0 -0.871 -1.24 -0.408 -0.337 -0.66 -0.375 -0.324938564026647 -0.625840506625729 -1.4596 -0.9491 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C05 compound treatment -0.464 -0.335 -0.48 -0.344 -0.273 -0.54 -0.381 -0.330938564026647 -0.637396669714597 -0.9534 -0.9928 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C06 compound treatment -0.355 -0.226 -0.32 -0.072 -5.62E-4 0.0 -0.006 0.044061435973353 0.0848635233396274 -0.1368 -0.4124 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C07 compound treatment 0.436 0.565 0.8 0.311 0.382 0.76 0.827 0.877061435973353 1.68924416551074 1.8754 0.9296 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C08 compound treatment -0.545 -0.416 -0.59 -0.381 -0.31 -0.61 0.158 0.208061435973353 0.400731981102008 -0.4627 -0.4923 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C09 compound treatment -1.076 -0.947 -1.35 -0.789 -0.718 -1.42 -1.143 -1.09293856402665 -2.10502938200078 -2.8104 -0.9785 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C10 compound treatment -0.078 0.0514 0.07 0.159 0.23 0.46 -0.468 -0.417938564026647 -0.804961034503177 -0.1598 -0.1723 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C11 mock treatment 0.963 1.09 1.55 -0.356 -0.285 -0.56 -0.905 -0.854938564026647 -1.64663491280903 -0.3784 -0.1622 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C12 mock treatment -0.235 -0.106 -0.15 -0.472 -0.401 -0.79 -0.753 -0.702938564026647 -1.35387878122439 -1.325 -0.8412 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C13 compound treatment -0.172 -0.0426 -0.06 0.771 0.842 1.66 0.258 0.308061435973353 0.593334699249801 1.268 0.7175 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C14 compound treatment -0.103 0.0264 0.04 0.165 0.236 0.47 0.058 0.108061435973353 0.208129262954215 0.4114 0.8027 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C15 mock treatment -0.528 -0.399 -0.57 -0.242 -0.171 -0.34 -0.382 -0.331938564026647 -0.639322696896075 -0.8907 -0.97 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C16 mock treatment -0.417 -0.288 -0.41 -0.109 -0.0376 -0.07 -0.194 -0.143938564026647 -0.277229586778224 -0.439 -0.8787 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C17 compound treatment -0.333 -0.204 -0.29 -0.77 -0.699 -1.38 -0.607 -0.556938564026647 -1.07267881272861 -1.5828 -0.8936 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C18 compound treatment -0.292 -0.163 -0.23 -0.937 -0.866 -1.71 -0.492 -0.441938564026647 -0.851185686858647 -1.6116 -0.838 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C19 compound treatment 0.069 0.198 0.28 0.333 0.404 0.8 0.381 0.431061435973353 0.830236042571587 1.1033 0.9302 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C20 compound treatment 0.014 0.143 0.2 -0.557 -0.486 -0.96 -0.081 -0.030938564026647 -0.0595885152712175 -0.4702 -0.4788 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C21 compound treatment -0.212 -0.0826 -0.12 0.254 0.325 0.64 0.482 0.532061435973353 1.02476478790086 0.8948 0.7363 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C22 compound treatment 0.185 0.314 0.45 -0.038 0.0334 0.07 0.192 0.242061435973353 0.466216905272258 0.5654 0.8708 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C23 compound treatment 0.75 0.879 1.25 1.327 1.4 2.39 1.789 1.83906143597335 2.57806877494209 3.5894 0.9622 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 C24 compound treatment -0.194 -0.0646 -0.09 0.041 0.112 0.22 -0.68 -0.629938564026647 -1.2132787969765 -0.6253 -0.5056 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D01 compound treatment -0.118 0.0114 0.02 -0.157 -0.0856 -0.17 -0.012 0.038061435973353 0.0733073602507598 -0.0459 -0.248 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D02 compound treatment -0.364 -0.235 -0.33 -0.311 -0.24 -0.47 -0.129 -0.078938564026647 -0.152037819982158 -0.5534 -0.9248 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D03 compound treatment 1.651 1.78 1.93 -0.277 -0.206 -0.41 0.554 0.604061435973353 1.16343874496727 1.5538 0.6776 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D04 compound treatment 0.182 0.311 0.44 0.687 0.758 1.5 0.574 0.624061435973353 1.20195928859683 1.8142 0.9206 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D05 compound treatment -0.481 -0.352 -0.5 -0.046 0.0254 0.05 -0.22 -0.169938564026647 -0.32730629349665 -0.4486 -0.7481 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D06 compound treatment -0.136 -0.00659 -0.01 -0.6 -0.529 -1.04 -0.679 -0.628938564026647 -1.21135276979502 -1.3073 -0.8176 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D07 compound treatment 0.09 0.219 0.31 0.103 0.174 0.34 0.348 0.398061435973353 0.766677145582815 0.8216 0.9164 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D08 compound treatment 0.257 0.386 0.55 0.119 0.19 0.38 0.318 0.368061435973353 0.708896330138477 0.9436 0.9703 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D09 compound treatment -0.14 -0.0106 -0.02 -0.545 -0.474 -0.94 -0.067 -0.016938564026647 -0.0326241347305264 -0.5674 -0.6063 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D10 compound treatment -0.283 -0.154 -0.22 0.602 0.673 1.33 0.413 0.463061435973353 0.891868912378881 1.1566 0.7157 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D11 mock treatment -0.407 -0.278 -0.39 -0.212 -0.141 -0.28 0.039 0.089061435973353 0.171534746506134 -0.2891 -0.5645 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D12 mock treatment -0.25 -0.121 -0.17 -0.27 -0.199 -0.39 -0.215 -0.164938564026647 -0.31767615758926 -0.5088 -0.9546 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D13 compound treatment -0.469 -0.34 -0.48 -0.181 -0.11 -0.22 0.061 0.111061435973353 0.213907344498649 -0.2802 -0.4909 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D14 compound treatment 0.0 0.129 0.18 0.096 0.167 0.33 0.092 0.142061435973353 0.273614187124465 0.4551 0.9746 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D15 mock treatment -0.25 -0.121 -0.17 -0.171 -0.0996 -0.2 -0.125 -0.074938564026647 -0.144333711256246 -0.2958 -0.9923 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D16 mock treatment -0.102 0.0274 0.04 -0.275 -0.204 -0.4 -0.3 -0.249938564026647 -0.481388468014885 -0.4875 -0.7758 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D17 compound treatment -0.118 0.0114 0.02 -0.03 0.0414 0.08 -0.138 -0.087938564026647 -0.16937206461546 -0.0412 -0.2181 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D18 compound treatment -0.462 -0.333 -0.47 -0.591 -0.52 -1.03 -0.078 -0.027938564026647 -0.0538104337267837 -0.8964 -0.7926 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D19 compound treatment 0.014 0.143 0.2 -0.414 -0.343 -0.68 -0.203 -0.152938564026647 -0.294563831411525 -0.4429 -0.5786 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D20 compound treatment -0.206 -0.0766 -0.11 -0.561 -0.49 -0.97 -0.433 -0.382938564026647 -0.737550083151449 -1.0468 -0.8575 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D21 compound treatment -0.22 -0.0906 -0.13 -0.468 -0.397 -0.78 0.096 0.146061435973353 0.281318295850376 -0.364 -0.4324 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D22 compound treatment 0.1 0.229 0.33 -0.024 0.0474 0.09 -0.447 -0.396938564026647 -0.76451446369214 -0.199 -0.2379 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D23 compound treatment 0.093 0.222 0.32 0.013 0.0844 0.17 -0.085 -0.034938564026647 -0.0672926239971292 0.24 0.6597 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 D24 compound treatment -0.082 0.0474 0.07 -0.039 0.0324 0.06 -0.118 -0.067938564026647 -0.130851520985901 3.0E-4 0.0022 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E01 mock treatment -0.429 -0.3 -0.43 -0.137 -0.0656 -0.13 -0.47 -0.419938564026647 -0.808813088866133 -0.7876 -0.8531 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E02 mock treatment -0.516 -0.387 -0.55 -0.217 -0.146 -0.29 -0.25 -0.199938564026647 -0.385087108940988 -0.7056 -0.9665 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E03 compound treatment -0.195 -0.0656 -0.09 0.375 0.446 0.88 0.189 0.239061435973353 0.460438823727824 0.7209 0.7217 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E04 compound treatment 0.163 0.292 0.42 0.373 0.444 0.88 0.405 0.455061435973353 0.876460694927057 1.2527 0.9577 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E05 compound treatment -0.244 -0.115 -0.16 -0.06 0.0114 0.02 -0.43 -0.379938564026647 -0.731772001607016 -0.5035 -0.6713 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E06 compound treatment -1.032 -0.903 -1.28 -0.509 -0.438 -0.86 -0.718 -0.667938564026647 -1.28646782987266 -1.9825 -0.9853 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E07 compound treatment 1.203 1.33 1.73 1.364 1.44 2.42 0.943 0.993061435973353 1.91266331856218 3.4956 0.9898 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E08 compound treatment -0.071 0.0584 0.08 -0.358 -0.287 -0.57 -0.532 -0.481938564026647 -0.928226774117765 -0.8146 -0.7472 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E09 mock treatment -0.03 0.0994 0.14 0.038 0.109 0.22 -0.037 0.013061435973353 0.0251566807138115 0.2209 0.8514 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E10 mock treatment -0.511 -0.382 -0.54 -0.491 -0.42 -0.83 -0.641 -0.590938564026647 -1.13816373689886 -1.4486 -0.9602 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E11 compound treatment 0.313 0.442 0.63 -0.385 -0.314 -0.62 -0.409 -0.358938564026647 -0.691325430795979 -0.3934 -0.3509 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E12 compound treatment -0.135 -0.00559 -0.01 -0.519 -0.448 -0.88 -0.606 -0.555938564026647 -1.07075278554713 -1.133 -0.8161 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E13 compound treatment 0.103 0.232 0.33 0.429 0.5 0.99 0.281 0.331061435973353 0.637633324423794 1.1294 0.9246 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E14 compound treatment -0.41 -0.281 -0.4 -0.186 -0.115 -0.23 -0.31 -0.259938564026647 -0.500648739829664 -0.65 -0.9573 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E15 compound treatment 0.194 0.323 0.46 0.35 0.421 0.83 0.12 0.170061435973353 0.327542948205847 0.935 0.9298 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E16 compound treatment -0.291 -0.162 -0.23 -0.113 -0.0416 -0.08 -0.772 -0.721938564026647 -1.39047329767247 -0.9828 -0.6962 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E17 mock treatment -0.217 -0.0876 -0.12 -0.356 -0.285 -0.56 0.024 0.074061435973353 0.142644338783965 -0.3139 -0.5295 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E18 mock treatment -0.522 -0.393 -0.56 -0.34 -0.269 -0.53 -0.662 -0.611938564026647 -1.1786103077099 -1.3089 -0.9297 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E19 compound treatment 0.014 0.143 0.2 0.229 0.3 0.59 0.474 0.524061435973353 1.00935657044903 1.043 0.8776 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E20 compound treatment -0.292 -0.163 -0.23 -0.082 -0.0106 -0.02 -0.233 -0.182938564026647 -0.352344646855863 -0.3489 -0.827 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E21 compound treatment 0.206 0.335 0.48 -0.036 0.0354 0.07 -0.013 0.037061435973353 0.0713813330692819 0.3569 0.7326 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E22 compound treatment -0.636 -0.507 -0.72 -0.554 -0.483 -0.95 -0.615 -0.564938564026647 -1.08808703018043 -1.5942 -0.9867 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E23 compound treatment -0.586 -0.457 -0.65 -0.25 -0.179 -0.35 -0.449 -0.398938564026647 -0.768366518055096 -1.022 -0.9588 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 E24 compound treatment -0.337 -0.208 -0.3 -0.596 -0.525 -1.04 -0.642 -0.591938564026647 -1.14008976408034 -1.4266 -0.9096 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F01 mock treatment -0.121 0.00841 0.01 -0.263 -0.192 -0.38 -0.097 -0.046938564026647 -0.0904049501748644 -0.2637 -0.6777 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F02 mock treatment -0.27 -0.141 -0.2 -0.129 -0.0576 -0.11 -0.461 -0.410938564026647 -0.791478844232832 -0.638 -0.7741 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F03 compound treatment -0.535 -0.406 -0.58 0.203 0.274 0.54 0.129 0.179061435973353 0.344877192839148 0.179 0.2074 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F04 compound treatment -0.526 -0.397 -0.56 -0.05 0.0214 0.04 -0.247 -0.196938564026647 -0.379309027396554 -0.5201 -0.7639 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F05 compound treatment -0.088 0.0414 0.06 0.031 0.102 0.2 0.427 0.477061435973353 0.918833292919572 0.6813 0.7227 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F06 compound treatment -0.435 -0.306 -0.43 0.351 0.422 0.83 -0.333 -0.282938564026647 -0.544947365003656 -0.0839 -0.0772 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F07 compound treatment 1.013 1.14 1.61 0.907 0.978 1.93 0.785 0.835061435973353 1.60835102388867 2.9759 0.9962 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F08 compound treatment -0.6 -0.471 -0.67 -0.407 -0.336 -0.66 -0.446 -0.395938564026647 -0.762588436510663 -1.2091 -0.9979 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F09 mock treatment -0.631 -0.502 -0.71 -0.222 -0.151 -0.3 -0.333 -0.282938564026647 -0.544947365003656 -0.898 -0.9498 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F10 mock treatment -0.408 -0.279 -0.4 -0.516 -0.445 -0.88 -0.243 -0.192938564026647 -0.371604918670642 -0.95 -0.9204 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F11 compound treatment -0.118 0.0114 0.02 -0.187 -0.116 -0.23 -0.468 -0.417938564026647 -0.804961034503177 -0.5871 -0.7016 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F12 compound treatment 0.123 0.252 0.36 -0.597 -0.526 -1.04 -0.69 -0.639938564026647 -1.23253906879128 -1.1035 -0.6685 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F13 compound treatment -0.733 -0.604 -0.86 -0.638 -0.567 -1.12 -0.5 -0.449938564026647 -0.866593904310471 -1.6417 -0.992 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F14 compound treatment 0.635 0.764 1.09 0.279 0.35 0.69 0.366 0.416061435973353 0.801345634849418 1.4896 0.9818 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F15 compound treatment -0.462 -0.333 -0.47 -0.308 -0.237 -0.47 0.0 0.050061435973353 0.096419686428495 -0.487 -0.7251 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F16 compound treatment -0.513 -0.384 -0.55 -0.266 -0.195 -0.38 -0.085 -0.034938564026647 -0.0672926239971292 -0.5755 -0.8584 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F17 mock treatment 0.901 1.03 1.47 0.108 0.179 0.35 0.213 0.263061435973353 0.506663476083294 1.3429 0.8445 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F18 mock treatment 0.46 0.589 0.84 0.139 0.21 0.42 0.013 0.063061435973353 0.121458039787708 0.7938 0.8416 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F19 compound treatment 0.462 0.591 0.84 0.509 0.58 1.15 0.987 1.03706143597335 1.99740851454721 2.3004 0.9383 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F20 compound treatment -0.018 0.111 0.16 0.352 0.423 0.84 0.092 0.142061435973353 0.273614187124465 0.7321 0.8191 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F21 compound treatment -0.208 -0.0786 -0.11 -0.273 -0.202 -0.4 -0.013 0.037061435973353 0.0713813330692819 -0.2531 -0.6033 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F22 compound treatment 0.107 0.236 0.34 -0.371 -0.3 -0.59 -0.337 -0.286938564026647 -0.552651473729568 -0.4665 -0.5322 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F23 compound treatment -0.988 -0.859 -1.22 -0.884 -0.813 -1.6 -1.309 -1.25893856402665 -2.42474989412612 -3.031 -0.9612 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 F24 compound treatment -0.219 -0.0896 -0.13 -0.297 -0.226 -0.45 -0.471 -0.420938564026647 -0.810739116047611 -0.7988 -0.8554 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G01 compound treatment 0.167 0.296 0.42 0.159 0.23 0.46 0.413 0.463061435973353 0.891868912378881 1.0209 0.9398 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G02 compound treatment -0.053 0.0764 0.11 -0.309 -0.238 -0.47 -0.029 0.021061435973353 0.040564898165635 -0.1847 -0.3822 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G03 mock treatment -0.182 -0.0526 -0.07 -0.375 -0.304 -0.6 -0.25 -0.199938564026647 -0.385087108940988 -0.6116 -0.8537 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G04 mock treatment -0.262 -0.133 -0.19 -0.281 -0.21 -0.41 -0.224 -0.173938564026647 -0.335010402222562 -0.5412 -0.9582 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G05 compound treatment -0.186 -0.0566 -0.08 -0.35 -0.279 -0.55 -0.435 -0.384938564026647 -0.741402137514405 -0.7921 -0.8548 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G06 compound treatment -0.838 -0.709 -1.01 -0.179 -0.108 -0.21 -0.222 -0.171938564026647 -0.331158347859606 -0.8955 -0.828 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G07 compound treatment 0.697 0.826 1.17 0.108 0.179 0.35 0.558 0.608061435973353 1.17114285369318 1.5591 0.9191 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G08 compound treatment 5.417 5.55 2.6 2.423 2.49 2.95 2.385 2.43506143597335 2.83940654417564 4.8446 0.9986 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G09 compound treatment -0.269 -0.14 -0.2 -0.029 0.0424 0.08 0.108 0.158061435973353 0.304430622028112 0.1096 0.2938 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G10 compound treatment -0.897 -0.768 -1.09 -0.64 -0.569 -1.12 -0.792 -0.741938564026647 -1.42899384130203 -2.1033 -0.9922 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G11 compound treatment 0.551 0.68 0.97 -0.202 -0.131 -0.26 -0.159 -0.108938564026647 -0.209818635426496 0.2885 0.2821 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G12 compound treatment 0.194 0.323 0.46 -0.305 -0.234 -0.46 -0.149 -0.098938564026647 -0.190558363611717 -0.1108 -0.1633 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G13 compound treatment -0.25 -0.121 -0.17 -0.333 -0.262 -0.52 -0.206 -0.155938564026647 -0.300341912955959 -0.5706 -0.918 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G14 compound treatment 0.0 0.129 0.18 0.294 0.365 0.72 -0.085 -0.034938564026647 -0.0672926239971292 0.484 0.6473 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G15 compound treatment -0.203 -0.0736 -0.1 -0.239 -0.168 -0.33 -0.154 -0.103938564026647 -0.200188499519106 -0.367 -0.9161 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G16 compound treatment -0.747 -0.618 -0.88 -0.138 -0.0666 -0.13 -0.359 -0.308938564026647 -0.595024071722082 -0.9264 -0.8667 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G17 compound treatment 0.569 0.698 0.99 0.704 0.775 1.53 0.468 0.518061435973353 0.997800407360167 2.0334 0.9776 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G18 compound treatment -0.592 -0.463 -0.66 -0.232 -0.161 -0.32 -0.227 -0.176938564026647 -0.340788483766996 -0.7595 -0.9426 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G19 mock treatment -0.208 -0.0786 -0.11 -0.231 -0.16 -0.32 0.618 0.668061435973353 1.28670448458186 0.4965 0.3734 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G20 mock treatment 0.043 0.172 0.25 0.044 0.115 0.23 0.108 0.158061435973353 0.304430622028112 0.4489 0.9921 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G21 compound treatment -0.318 -0.189 -0.27 -0.402 -0.331 -0.65 0.333 0.383061435973353 0.737786737860646 -0.1057 -0.1035 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G22 compound treatment -0.034 0.0954 0.14 -0.064 0.00744 0.01 -0.135 -0.084938564026647 -0.163593983071026 -0.0077 -0.0359 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G23 compound treatment -0.037 0.0924 0.13 -0.235 -0.164 -0.32 -0.545 -0.494938564026647 -0.953265127476978 -0.661 -0.6512 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 G24 compound treatment -0.524 -0.395 -0.56 -0.192 -0.121 -0.24 -0.753 -0.702938564026647 -1.35387878122439 -1.243 -0.8372 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H01 compound treatment -0.163 -0.0336 -0.05 0.092 0.163 0.32 0.014 0.064061435973353 0.123384066969186 0.23 0.6594 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H02 compound treatment -0.109 0.0204 0.03 -0.346 -0.275 -0.54 -0.222 -0.171938564026647 -0.331158347859606 -0.4874 -0.7665 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H03 mock treatment -0.051 0.0784 0.11 -0.314 -0.243 -0.48 -0.339 -0.288938564026647 -0.556503528092524 -0.5335 -0.7183 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H04 mock treatment -0.56 -0.431 -0.61 -0.235 -0.164 -0.32 -0.276 -0.225938564026647 -0.435163815659414 -0.7912 -0.9677 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H05 compound treatment 0.151 0.28 0.4 0.4 0.471 0.93 0.017 0.067061435973353 0.12916214851362 0.8422 0.825 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H06 compound treatment 0.141 0.27 0.38 -0.192 -0.121 -0.24 0.116 0.166061435973353 0.319838839479935 0.2692 0.486 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H07 compound treatment 0.137 0.266 0.38 0.714 0.785 1.55 0.515 0.565061435973353 1.08832368488963 1.7424 0.9018 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H08 compound treatment -0.613 -0.484 -0.69 -0.567 -0.496 -0.98 -0.493 -0.442938564026647 -0.853111714040125 -1.4544 -0.9901 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H09 compound treatment -0.127 0.00241 0.0 -0.865 -0.794 -1.57 -0.397 -0.346938564026647 -0.668213104618244 -1.2885 -0.7564 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H10 compound treatment 0.27 0.399 0.57 0.072 0.143 0.28 0.479 0.529061435973353 1.01898670635642 1.0797 0.8994 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H11 compound treatment -0.26 -0.131 -0.19 -0.235 -0.164 -0.32 -0.014 0.036061435973353 0.069455305887804 -0.2536 -0.6691 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H12 compound treatment -0.108 0.0214 0.03 -0.425 -0.354 -0.7 -0.353 -0.302938564026647 -0.583467908633215 -0.7223 -0.7935 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H13 compound treatment -0.021 0.108 0.15 -0.137 -0.0656 -0.13 0.127 0.177061435973353 0.341025138476192 0.2111 0.5332 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H14 compound treatment 0.209 0.338 0.48 0.141 0.212 0.42 -0.083 -0.032938564026647 -0.0634405696341733 0.4833 0.7535 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H15 compound treatment 0.152 0.281 0.4 0.628 0.699 1.38 0.404 0.454061435973353 0.87453466774558 1.5333 0.9111 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H16 compound treatment -0.316 -0.187 -0.27 -0.16 -0.0886 -0.17 -0.187 -0.136938564026647 -0.263747396507878 -0.4064 -0.9842 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H17 compound treatment -0.13 -5.91E-4 0.0 0.877 0.948 1.87 -0.032 0.018061435973353 0.0347868166212012 1.1008 0.5877 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H18 compound treatment -0.104 0.0254 0.04 -0.534 -0.463 -0.91 -0.254 -0.203938564026647 -0.3927912176669 -0.7332 -0.737 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H19 mock treatment -0.048 0.0814 0.12 0.511 0.582 1.15 -0.229 -0.178938564026647 -0.344640538129951 0.5318 0.4409 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H20 mock treatment -0.293 -0.164 -0.23 -0.769 -0.698 -1.38 -0.408 -0.357938564026647 -0.689399403614501 -1.3275 -0.8522 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H21 compound treatment -0.373 -0.244 -0.35 -0.488 -0.417 -0.82 -0.478 -0.427938564026647 -0.824221306317956 -1.1507 -0.9472 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H22 compound treatment -0.224 -0.0946 -0.13 2.462 2.53 2.96 2.171 2.22106143597335 2.75569499982903 3.2249 0.7963 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H23 compound treatment -0.294 -0.165 -0.23 -0.302 -0.231 -0.46 -0.174 -0.123938564026647 -0.238709043148665 -0.5358 -0.9486 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 H24 compound treatment 0.576 0.705 1.0 0.048 0.119 0.24 0.242 0.292061435973353 0.562518264346154 1.04 0.886 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I01 compound treatment -0.652 -0.523 -0.74 0.22 0.291 0.58 0.197 0.247061435973353 0.475847041179648 0.178 0.169 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I02 compound treatment -0.508 -0.379 -0.54 -0.304 -0.233 -0.46 -0.038 0.012061435973353 0.0232306535323336 -0.5625 -0.7946 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I03 compound treatment -0.582 -0.453 -0.64 -0.35 -0.279 -0.55 -0.224 -0.173938564026647 -0.335010402222562 -0.8825 -0.9693 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I04 compound treatment -0.551 -0.422 -0.6 -0.169 -0.0976 -0.19 -0.264 -0.213938564026647 -0.412051489481679 -0.6952 -0.9239 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I05 mock treatment -0.765 -0.636 -0.9 -0.774 -0.703 -1.39 -0.241 -0.190938564026647 -0.367752864307687 -1.535 -0.9051 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I06 mock treatment -0.324 -0.195 -0.28 -0.138 -0.0666 -0.13 -0.187 -0.136938564026647 -0.263747396507878 -0.3879 -0.9596 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I07 compound treatment 0.044 0.173 0.25 0.481 0.552 1.09 0.5 0.550061435973353 1.05943327716746 1.3838 0.8983 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I08 compound treatment -0.046 0.0834 0.12 0.007 0.0784 0.15 0.135 0.185061435973353 0.356433355928016 0.3637 0.895 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I09 compound treatment -0.147 -0.0176 -0.03 -0.13 -0.0586 -0.12 -0.039 0.011061435973353 0.0213046263508557 -0.0689 -0.5732 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I10 compound treatment -0.107 0.0224 0.03 -0.179 -0.108 -0.21 -0.346 -0.295938564026647 -0.569985718362869 -0.4333 -0.7114 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I11 compound treatment 0.0 0.129 0.18 0.665 0.736 1.45 0.106 0.156061435973353 0.300578567665156 1.1193 0.7481 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I12 compound treatment -1.066 -0.937 -1.33 -0.883 -0.812 -1.6 -0.955 -0.904938564026647 -1.74293627188293 -2.7003 -0.9941 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I13 compound treatment 0.296 0.425 0.6 0.818 0.889 1.76 0.815 0.865061435973353 1.66613183933301 2.3251 0.9318 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I14 compound treatment -0.552 -0.423 -0.6 -0.276 -0.205 -0.4 0.0 0.050061435973353 0.096419686428495 -0.5244 -0.718 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I15 compound treatment -0.284 -0.155 -0.22 -0.522 -0.451 -0.89 -0.11 -0.059938564026647 -0.115443303534077 -0.7072 -0.7657 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I16 compound treatment 0.515 0.644 0.92 -1.078 -1.01 -1.99 0.162 0.212061435973353 0.40843608982792 -0.3827 -0.1719 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I17 compound treatment -0.045 0.0844 0.12 -0.016 0.0554 0.11 0.118 0.168061435973353 0.323690893842891 0.3194 0.8818 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I18 compound treatment -0.455 -0.326 -0.46 -0.361 -0.29 -0.57 -0.527 -0.476938564026647 -0.918596638210375 -1.1277 -0.9582 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I19 compound treatment -0.612 -0.483 -0.69 -0.188 -0.117 -0.23 -0.31 -0.259938564026647 -0.500648739829664 -0.8181 -0.9296 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I20 compound treatment 0.164 0.293 0.42 0.896 0.967 1.91 0.474 0.524061435973353 1.00935657044903 1.9265 0.8755 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I21 mock treatment -0.015 0.114 0.16 -0.054 0.0174 0.03 0.039 0.089061435973353 0.171534746506134 0.2128 0.8909 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I22 mock treatment -0.118 0.0114 0.02 -0.237 -0.166 -0.33 -0.19 -0.139938564026647 -0.269525478052312 -0.335 -0.7901 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I23 compound treatment -0.187 -0.0576 -0.08 -0.333 -0.262 -0.52 -0.136 -0.085938564026647 -0.165520010252504 -0.441 -0.8041 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 I24 compound treatment -0.644 -0.515 -0.73 -0.311 -0.24 -0.47 -0.567 -0.516938564026647 -0.995637725469492 -1.2703 -0.9602 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J01 compound treatment -0.508 -0.379 -0.54 -0.259 -0.188 -0.37 -0.065 -0.014938564026647 -0.0287720803675706 -0.5412 -0.8275 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J02 compound treatment 0.127 0.256 0.36 0.164 0.235 0.46 0.014 0.064061435973353 0.123384066969186 0.5501 0.9115 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J03 compound treatment -1.145 -1.02 -1.44 -0.317 -0.246 -0.48 -0.268 -0.217938564026647 -0.419755598207591 -1.3559 -0.8582 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J04 compound treatment -0.364 -0.235 -0.33 -0.214 -0.143 -0.28 -0.653 -0.602938564026647 -1.16127606307659 -1.0255 -0.8267 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J05 mock treatment -0.462 -0.333 -0.47 -0.233 -0.162 -0.32 -0.377 -0.326938564026647 -0.629692560988685 -0.8207 -0.966 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J06 mock treatment -0.354 -0.225 -0.32 0.115 0.186 0.37 -0.361 -0.310938564026647 -0.598876126085038 -0.3176 -0.4113 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J07 compound treatment -0.571 -0.442 -0.63 -0.491 -0.42 -0.83 -0.394 -0.343938564026647 -0.66243502307381 -1.2232 -0.9924 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J08 compound treatment -0.5 -0.371 -0.53 -0.46 -0.389 -0.77 -0.955 -0.904938564026647 -1.74293627188293 -1.7534 -0.8874 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J09 compound treatment -0.129 4.09E-4 0.0 -0.179 -0.108 -0.21 -0.254 -0.203938564026647 -0.3927912176669 -0.3491 -0.7817 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J10 compound treatment -0.062 0.0674 0.1 0.317 0.388 0.77 0.051 0.101061435973353 0.19464707268387 0.6105 0.766 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J11 compound treatment -0.312 -0.183 -0.26 -0.4 -0.329 -0.65 -0.625 -0.574938564026647 -1.10734730199521 -1.1638 -0.8888 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J12 compound treatment 0.203 0.332 0.47 0.125 0.196 0.39 -0.282 -0.231938564026647 -0.446719978748282 0.2389 0.3155 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J13 compound treatment -0.424 -0.295 -0.42 0.161 0.232 0.46 0.194 0.244061435973353 0.470068959635214 0.2946 0.3781 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J14 compound treatment -0.175 -0.0456 -0.06 0.111 0.182 0.36 0.197 0.247061435973353 0.475847041179648 0.4453 0.7417 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J15 compound treatment 0.893 1.02 1.45 1.113 1.18 2.22 0.944 0.994061435973353 1.91458934574366 3.2256 0.986 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J16 compound treatment -0.349 -0.22 -0.31 0.088 0.159 0.31 0.164 0.214061435973353 0.412288144190876 0.2395 0.3956 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J17 compound treatment -1.185 -1.06 -1.5 -0.509 -0.438 -0.86 -0.536 -0.485938564026647 -0.935930882843676 -1.9057 -0.9681 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J18 compound treatment -0.446 -0.317 -0.45 0.289 0.36 0.71 -0.067 -0.016938564026647 -0.0326241347305264 0.1322 0.1568 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J19 compound treatment -0.477 -0.348 -0.49 -0.327 -0.256 -0.5 -0.312 -0.261938564026647 -0.50450079419262 -0.8679 -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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J20 compound treatment 0.016 0.145 0.21 0.156 0.227 0.45 0.235 0.285061435973353 0.549036074075809 0.6956 0.9415 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J21 mock treatment -0.493 -0.364 -0.52 -0.268 -0.197 -0.39 -0.681 -0.630938564026647 -1.21520482415798 -1.2241 -0.8893 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J22 mock treatment 0.053 0.182 0.26 0.065 0.136 0.27 -0.123 -0.072938564026647 -0.140481656893291 0.2242 0.5612 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J23 compound treatment -0.11 0.0194 0.03 -0.275 -0.204 -0.4 -0.17 -0.119938564026647 -0.231004934422753 -0.3495 -0.7526 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 J24 compound treatment -0.639 -0.51 -0.72 -0.45 -0.379 -0.75 -0.795 -0.744938564026647 -1.43477192284646 -1.6782 -0.9467 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K01 compound treatment 0.286 0.415 0.59 -0.324 -0.253 -0.5 -0.219 -0.168938564026647 -0.325380266315172 -0.1348 -0.1607 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K02 compound treatment -0.321 -0.192 -0.27 0.0 0.0714 0.14 0.086 0.136061435973353 0.262058024035597 0.0755 0.1871 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K03 compound treatment -0.365 -0.236 -0.33 -0.299 -0.228 -0.45 -0.587 -0.536938564026647 -1.03415826909905 -1.0499 -0.8926 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K04 compound treatment -1.032 -0.903 -1.28 -0.358 -0.287 -0.57 -0.333 -0.282938564026647 -0.544947365003656 -1.3822 -0.9186 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K05 compound treatment -0.052 0.0774 0.11 -0.173 -0.102 -0.2 -0.131 -0.080938564026647 -0.155889874345114 -0.1422 -0.5138 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K06 compound treatment 1.156 1.29 1.7 1.593 1.66 2.56 1.625 1.67506143597335 2.48768637735082 3.8984 0.9853 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K07 mock treatment -0.284 -0.155 -0.22 0.016 0.0874 0.17 -0.239 -0.188938564026647 -0.363900809944731 -0.2373 -0.5172 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K08 mock treatment -0.134 -0.00459 -0.01 -0.468 -0.397 -0.78 -0.03 0.020061435973353 0.0386388709841571 -0.4335 -0.553 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K09 compound treatment -0.246 -0.117 -0.17 -0.176 -0.105 -0.21 -0.219 -0.168938564026647 -0.325380266315172 -0.4028 -0.9601 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K10 compound treatment -0.495 -0.366 -0.52 -0.038 0.0334 0.07 -0.712 -0.661938564026647 -1.27491166678379 -0.9981 -0.7241 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K11 compound treatment -0.01 0.119 0.17 -0.062 0.00944 0.02 -0.195 -0.144938564026647 -0.279155613959702 -0.0524 -0.1601 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K12 compound treatment 0.529 0.658 0.94 0.432 0.503 0.99 0.171 0.221061435973353 0.425770334461221 1.3602 0.951 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K13 compound treatment -0.431 -0.302 -0.43 7.291 7.36 3.76 -0.354 -0.303938564026647 -0.585393935814693 1.5849 0.414 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K14 compound treatment -0.283 -0.154 -0.22 -0.043 0.0284 0.06 -0.042 0.00806143597335299 0.0155265448064219 -0.0847 -0.3747 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K15 mock treatment -0.547 -0.418 -0.59 -0.231 -0.16 -0.32 -0.365 -0.314938564026647 -0.60658023481095 -0.8749 -0.9663 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K16 mock treatment 0.0 0.129 0.18 -0.266 -0.195 -0.38 -0.23 -0.179938564026647 -0.346566565311429 -0.3157 -0.5748 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K17 compound treatment -0.228 -0.0986 -0.14 -0.3 -0.229 -0.45 -0.183 -0.132938564026647 -0.256043287781967 -0.4893 -0.9104 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K18 compound treatment -0.179 -0.0496 -0.07 -0.083 -0.0116 -0.02 0.123 0.173061435973353 0.333321029750281 0.1386 0.4058 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K19 compound treatment -0.365 -0.236 -0.33 -0.25 -0.179 -0.35 -0.329 -0.278938564026647 -0.537243256277745 -0.7071 -0.9758 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K20 compound treatment -0.076 0.0534 0.08 -0.141 -0.0696 -0.14 -0.15 -0.099938564026647 -0.192484390793195 -0.1466 -0.5902 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K21 compound treatment -0.286 -0.157 -0.22 -0.394 -0.323 -0.64 -0.292 -0.241938564026647 -0.465980250563061 -0.7653 -0.9333 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K22 compound treatment 1.351 1.48 1.8 1.648 1.72 2.6 1.602 1.65206143597335 2.47419139548987 3.9683 0.9886 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K23 mock treatment 0.045 0.174 0.25 -0.35 -0.279 -0.55 -0.039 0.011061435973353 0.0213046263508557 -0.1621 -0.2685 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 K24 mock treatment -0.116 0.0134 0.02 -0.178 -0.107 -0.21 -0.559 -0.508938564026647 -0.980229508017669 -0.6764 -0.6746 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L01 compound treatment -0.288 -0.159 -0.23 -0.167 -0.0956 -0.19 0.03 0.080061435973353 0.154200501872833 -0.1501 -0.4521 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L02 compound treatment 0.814 0.943 1.34 0.329 0.4 0.79 0.271 0.321061435973353 0.618373052609015 1.5879 0.9478 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L03 compound treatment -0.326 -0.197 -0.28 -0.16 -0.0886 -0.17 0.057 0.107061435973353 0.206203235772737 -0.1433 -0.3685 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L04 compound treatment 0.5 0.629 0.89 0.133 0.204 0.4 0.2 0.250061435973353 0.481625122724081 1.0278 0.9399 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L05 compound treatment 1.056 1.19 1.64 -0.196 -0.125 -0.25 -0.19 -0.139938564026647 -0.269525478052312 0.65 0.3866 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L06 compound treatment 0.303 0.432 0.61 0.309 0.38 0.75 -0.139 -0.088938564026647 -0.171298091796938 0.6897 0.6998 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L07 mock treatment -0.149 -0.0196 -0.03 -0.436 -0.365 -0.72 -0.247 -0.196938564026647 -0.379309027396554 -0.6507 -0.7992 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L08 mock treatment 0.062 0.191 0.27 -0.211 -0.14 -0.28 -0.261 -0.210938564026647 -0.406273407937245 -0.2365 -0.4214 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L09 compound treatment -0.3 -0.171 -0.24 0.649 0.72 1.42 -0.027 0.023061435973353 0.0444169525285909 0.7069 0.4896 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L10 compound treatment -0.612 -0.483 -0.69 0.01 0.0814 0.16 0.108 0.158061435973353 0.304430622028112 -0.1275 -0.1661 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L11 compound treatment -0.093 0.0364 0.05 0.0 0.0714 0.14 0.254 0.304061435973353 0.58563059052389 0.4494 0.7434 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L12 compound treatment -0.259 -0.13 -0.18 -0.22 -0.149 -0.29 -0.152 -0.101938564026647 -0.196336445156151 -0.3891 -0.9772 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L13 compound treatment -0.34 -0.211 -0.3 -0.329 -0.258 -0.51 -0.462 -0.411938564026647 -0.793404871414309 -0.9246 -0.935 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L14 compound treatment 0.535 0.664 0.94 -0.149 -0.0776 -0.15 -0.018 0.032061435973353 0.0617511971618922 0.4926 0.5137 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L15 mock treatment -0.49 -0.361 -0.51 -0.338 -0.267 -0.53 -0.054 -0.003938564026647 -0.0075857813713133 -0.6043 -0.8223 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L16 mock treatment -0.173 -0.0436 -0.06 -0.346 -0.275 -0.54 -0.232 -0.181938564026647 -0.350418619674385 -0.5511 -0.8498 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L17 compound treatment 0.455 0.584 0.83 0.51 0.581 1.15 0.048 0.098061435973353 0.188868991139436 1.2516 0.8754 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L18 compound treatment 0.263 0.392 0.56 -0.484 -0.413 -0.81 0.429 0.479061435973353 0.922685347282528 0.3845 0.2845 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L19 compound treatment -0.494 -0.365 -0.52 -0.047 0.0244 0.05 -0.176 -0.125938564026647 -0.242561097511621 -0.4115 -0.7164 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L20 compound treatment 0.03 0.159 0.23 0.379 0.45 0.89 0.371 0.421061435973353 0.810975770756808 1.1126 0.9084 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L21 compound treatment -0.931 -0.802 -1.14 -0.256 -0.185 -0.36 -0.707 -0.656938564026647 -1.2652815308764 -1.5989 -0.9182 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L22 compound treatment -0.597 -0.468 -0.66 0.125 0.196 0.39 0.089 0.139061435973353 0.267836105580031 -0.0053 -0.0065 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L23 mock treatment -0.109 0.0204 0.03 -0.349 -0.278 -0.55 -0.103 -0.052938564026647 -0.101961113263732 -0.3585 -0.6423 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 L24 mock treatment -0.362 -0.233 -0.33 0.037 0.108 0.21 -0.091 -0.040938564026647 -0.0788487870859968 -0.1128 -0.2808 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M01 compound treatment -0.517 -0.388 -0.55 -0.224 -0.153 -0.3 0.076 0.126061435973353 0.242797752220818 -0.3519 -0.5226 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M02 compound treatment -0.165 -0.0356 -0.05 -0.407 -0.336 -0.66 -0.299 -0.248938564026647 -0.479462440833407 -0.6886 -0.8403 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M03 compound treatment -0.418 -0.289 -0.41 -0.052 0.0194 0.04 0.081 0.131061435973353 0.252427888128207 -0.069 -0.1428 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M04 compound treatment -0.536 -0.407 -0.58 -0.146 -0.0746 -0.15 -0.36 -0.309938564026647 -0.59695009890356 -0.7634 -0.9046 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M05 compound treatment -0.25 -0.121 -0.17 -0.242 -0.171 -0.34 -0.011 0.039061435973353 0.0752333874322378 -0.25 -0.6488 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M06 compound treatment -0.24 -0.111 -0.16 -0.286 -0.215 -0.42 -0.209 -0.158938564026647 -0.306119994500393 -0.5121 -0.9383 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M07 compound treatment -0.065 0.0644 0.09 -0.133 -0.0616 -0.12 0.118 0.168061435973353 0.323690893842891 0.1696 0.4741 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M08 compound treatment -1.077 -0.948 -1.35 -0.404 -0.333 -0.66 -0.773 -0.722938564026647 -1.39239932485395 -1.9609 -0.9585 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M09 mock treatment 0.056 0.185 0.26 0.0 0.0714 0.14 0.039 0.089061435973353 0.171534746506134 0.3327 0.9651 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M10 mock treatment -0.398 -0.269 -0.38 -0.252 -0.181 -0.36 -0.154 -0.103938564026647 -0.200188499519106 -0.5419 -0.9686 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M11 compound treatment -0.32 -0.191 -0.27 0.033 0.104 0.21 0.563 0.613061435973353 1.18077298960057 0.6443 0.5243 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M12 compound treatment -0.333 -0.204 -0.29 0.034 0.105 0.21 0.197 0.247061435973353 0.475847041179648 0.2278 0.3831 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M13 mock treatment -0.4 -0.271 -0.38 0.052 0.123 0.24 0.0 0.050061435973353 0.096419686428495 -0.0257 -0.0553 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M14 mock treatment -0.022 0.107 0.15 -0.339 -0.268 -0.53 -0.25 -0.199938564026647 -0.385087108940988 -0.4392 -0.6542 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M15 compound treatment 0.104 0.233 0.33 -0.225 -0.154 -0.3 -0.228 -0.177938564026647 -0.342714510948473 -0.1813 -0.3208 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M16 compound treatment -0.439 -0.31 -0.44 0.016 0.0874 0.17 -0.219 -0.168938564026647 -0.325380266315172 -0.3423 -0.5964 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M17 compound treatment -0.797 -0.668 -0.95 0.207 0.278 0.55 -0.506 -0.455938564026647 -0.878150067399338 -0.7376 -0.5249 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M18 compound treatment 0.052 0.181 0.26 0.458 0.529 1.05 0.248 0.298061435973353 0.574074427435022 1.0839 0.8883 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M19 compound treatment 0.635 0.764 1.09 0.342 0.413 0.82 1.2 1.25006143597335 2.19748445239872 2.3675 0.9163 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M20 compound treatment -0.518 -0.389 -0.55 -0.404 -0.333 -0.66 -0.562 -0.511938564026647 -0.986007589562103 -1.2674 -0.9696 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M21 compound treatment -0.095 0.0344 0.05 0.127 0.198 0.39 0.051 0.101061435973353 0.19464707268387 0.3668 0.8333 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M22 compound treatment -0.912 -0.783 -1.11 -0.554 -0.483 -0.95 -0.753 -0.702938564026647 -1.35387878122439 -1.9742 -0.9897 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M23 compound treatment -0.67 -0.541 -0.77 -0.45 -0.379 -0.75 -0.578 -0.527938564026647 -1.01682402446575 -1.4624 -0.9897 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 M24 compound treatment -0.632 -0.503 -0.71 -0.379 -0.308 -0.61 -0.243 -0.192938564026647 -0.371604918670642 -0.9777 -0.9693 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N01 compound treatment -0.063 0.0664 0.09 -0.201 -0.13 -0.26 0.033 0.083061435973353 0.159978583417267 -8.0E-4 -0.0026 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N02 compound treatment -0.262 -0.133 -0.19 -0.062 0.00944 0.02 0.086 0.136061435973353 0.262058024035597 0.0532 0.1646 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N03 compound treatment -0.041 0.0884 0.13 -0.25 -0.179 -0.35 -0.158 -0.107938564026647 -0.207892608245018 -0.251 -0.5863 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N04 compound treatment -0.614 -0.485 -0.69 -0.113 -0.0416 -0.08 -0.127 -0.076938564026647 -0.148185765619202 -0.5307 -0.748 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N05 compound treatment -0.283 -0.154 -0.22 -0.228 -0.157 -0.31 -0.388 -0.337938564026647 -0.650878859984943 -0.6803 -0.9036 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N06 compound treatment -0.429 -0.3 -0.43 0.599 0.67 1.32 -0.021 0.029061435973353 0.0559731156174584 0.5507 0.3957 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N07 compound treatment -1.091 -0.962 -1.37 -0.706 -0.635 -1.25 -0.818 -0.767938564026647 -1.47907054802045 -2.3667 -0.9977 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N08 compound treatment -0.415 -0.286 -0.41 -0.333 -0.262 -0.52 0.072 0.122061435973353 0.235093643494906 -0.3969 -0.5688 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N09 mock treatment -0.456 -0.327 -0.46 -0.421 -0.35 -0.69 -0.186 -0.135938564026647 -0.2618213693264 -0.8177 -0.9377 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N10 mock treatment 0.0 0.129 0.18 -0.19 -0.119 -0.23 -0.26 -0.209938564026647 -0.404347380755767 -0.2624 -0.5225 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N11 compound treatment 0.309 0.438 0.62 0.282 0.353 0.7 0.582 0.632061435973353 1.21736750604865 1.4656 0.9545 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N12 compound treatment 0.095 0.224 0.32 -0.033 0.0384 0.08 -0.058 -0.00793856402664701 -0.015289890097225 0.2192 0.6676 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N13 mock treatment -0.037 0.0924 0.13 0.007 0.0784 0.15 0.033 0.083061435973353 0.159978583417267 0.2576 0.9965 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N14 mock treatment -0.129 4.09E-4 0.0 0.015 0.0864 0.17 0.0 0.050061435973353 0.096419686428495 0.1545 0.7884 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N15 compound treatment -0.256 -0.127 -0.18 -0.169 -0.0976 -0.19 -0.15 -0.099938564026647 -0.192484390793195 -0.3263 -0.9995 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N16 compound treatment -0.473 -0.344 -0.49 0.768 0.839 1.66 -0.394 -0.343938564026647 -0.66243502307381 0.2924 0.158 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N17 compound treatment 0.814 0.943 1.34 1.145 1.22 2.25 0.536 0.586061435973353 1.12877025570067 2.7228 0.9557 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N18 compound treatment -0.112 0.0174 0.02 0.593 0.664 1.31 0.099 0.149061435973353 0.28709637739481 0.9375 0.6979 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N19 compound treatment 0.493 0.622 0.88 0.727 0.798 1.58 0.818 0.868061435973353 1.67190992087744 2.3864 0.9691 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N20 compound treatment -0.115 0.0144 0.02 0.492 0.563 1.11 -0.109 -0.058938564026647 -0.1135172763526 0.5886 0.5262 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N21 compound treatment -0.397 -0.268 -0.38 0.05 0.121 0.24 -0.13 -0.079938564026647 -0.153963847163636 -0.1701 -0.3579 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N22 compound treatment 1.25 1.38 1.75 0.583 0.654 1.29 0.922 0.972061435973353 1.87221674775115 2.8385 0.9886 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N23 compound treatment -0.662 -0.533 -0.76 -0.389 -0.318 -0.63 -0.53 -0.479938564026647 -0.924374719754809 -1.3329 -0.9877 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 N24 compound treatment 0.266 0.395 0.56 -0.677 -0.606 -1.2 -0.886 -0.835938564026647 -1.61004039636095 -1.2953 -0.6219 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O01 compound treatment 0.899 1.03 1.46 0.781 0.852 1.68 0.429 0.479061435973353 0.922685347282528 2.3487 0.9734 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O02 compound treatment 0.537 0.666 0.95 0.451 0.522 1.03 0.597 0.647061435973353 1.24625791377082 1.8621 0.9932 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O03 compound treatment -0.676 -0.547 -0.78 -0.535 -0.464 -0.92 -0.143 -0.092938564026647 -0.179002200522849 -1.0805 -0.89 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O04 compound treatment 0.5 0.629 0.89 0.197 0.268 0.53 0.233 0.283061435973353 0.545184019712853 1.1374 0.9686 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O05 compound treatment -0.148 -0.0186 -0.03 -0.267 -0.196 -0.39 -0.097 -0.046938564026647 -0.0904049501748644 -0.2904 -0.7306 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O06 compound treatment -0.212 -0.0826 -0.12 -0.213 -0.142 -0.28 0.108 0.158061435973353 0.304430622028112 -0.0534 -0.1243 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O07 compound treatment 0.046 0.175 0.25 0.456 0.527 1.04 0.395 0.445061435973353 0.857200423112278 1.2402 0.9041 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O08 compound treatment 0.094 0.223 0.32 -0.164 -0.0926 -0.18 0.103 0.153061435973353 0.294800486120722 0.2481 0.5274 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O09 compound treatment -0.25 -0.121 -0.17 -0.388 -0.317 -0.63 0.141 0.191061435973353 0.367989519016883 -0.2474 -0.3319 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O10 compound treatment 0.509 0.638 0.91 0.953 1.02 2.02 0.284 0.334061435973353 0.643411405968228 2.0634 0.8938 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O11 mock treatment -0.147 -0.0176 -0.03 -0.333 -0.262 -0.52 -0.659 -0.608938564026647 -1.17283222616546 -0.9898 -0.7722 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O12 mock treatment -0.557 -0.428 -0.61 -0.543 -0.472 -0.93 -0.319 -0.268938564026647 -0.517982984462965 -1.1876 -0.9681 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O13 compound treatment -0.442 -0.313 -0.44 -0.07 0.00144 0.0 -0.058 -0.00793856402664701 -0.015289890097225 -0.2638 -0.5932 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O14 compound treatment -0.145 -0.0156 -0.02 0.014 0.0854 0.17 -0.26 -0.209938564026647 -0.404347380755767 -0.1489 -0.3393 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O15 compound treatment -0.318 -0.189 -0.27 0.184 0.255 0.5 -0.029 0.021061435973353 0.040564898165635 0.1598 0.2791 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O16 compound treatment -0.268 -0.139 -0.2 -0.1 -0.0286 -0.06 -0.145 -0.094938564026647 -0.182854254885805 -0.2519 -0.9171 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O17 compound treatment 0.957 1.09 1.54 0.776 0.847 1.67 0.277 0.327061435973353 0.629929215697882 2.2216 0.9402 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O18 compound treatment -0.044 0.0854 0.12 0.141 0.212 0.42 0.3 0.350061435973353 0.674227840871874 0.7016 0.8733 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O19 compound treatment -0.227 -0.0976 -0.14 -0.23 -0.159 -0.31 -0.263 -0.212938564026647 -0.410125462300201 -0.4977 -0.9314 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O20 compound treatment 0.206 0.335 0.48 0.279 0.35 0.69 0.456 0.506061435973353 0.974688081182432 1.2376 0.9616 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O21 compound treatment -0.115 0.0144 0.02 0.123 0.194 0.38 0.183 0.233061435973353 0.448882660638956 0.4926 0.8335 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O22 compound treatment -0.382 -0.253 -0.36 -0.164 -0.0926 -0.18 -0.338 -0.287938564026647 -0.554577500911046 -0.633 -0.9235 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O23 compound treatment -0.6 -0.471 -0.67 -0.775 -0.704 -1.39 -0.188 -0.137938564026647 -0.265673423689356 -1.3417 -0.8575 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 O24 compound treatment -0.333 -0.204 -0.29 -0.443 -0.372 -0.73 -0.412 -0.361938564026647 -0.697103512340413 -0.9932 -0.9435 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P01 compound treatment 0.306 0.435 0.62 0.053 0.124 0.25 -0.286 -0.235938564026647 -0.454424087474193 0.2369 0.2938 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P02 compound treatment -0.022 0.107 0.15 -0.027 0.0444 0.09 0.071 0.121061435973353 0.233167616313428 0.2734 0.9358 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P03 compound treatment 0.236 0.365 0.52 -0.535 -0.464 -0.92 -0.036 0.014061435973353 0.0270827078952895 -0.2129 -0.2022 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P04 compound treatment -0.276 -0.147 -0.21 -0.382 -0.311 -0.61 -0.339 -0.288938564026647 -0.556503528092524 -0.7957 -0.9318 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P05 compound treatment -0.382 -0.253 -0.36 -0.148 -0.0766 -0.15 -0.031 0.019061435973353 0.0367128438026791 -0.2734 -0.6986 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P06 compound treatment 0.157 0.286 0.41 0.455 0.526 1.04 0.205 0.255061435973353 0.491255258631471 1.1189 0.9173 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P07 compound treatment 0.034 0.163 0.23 0.649 0.72 1.42 0.131 0.181061435973353 0.348729247202104 1.1568 0.78 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P08 compound treatment 0.113 0.242 0.34 -0.464 -0.393 -0.78 -0.653 -0.602938564026647 -1.16127606307659 -0.919 -0.639 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P09 compound treatment -0.385 -0.256 -0.36 -0.295 -0.224 -0.44 -0.671 -0.620938564026647 -1.1959445523432 -1.1551 -0.8714 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P10 compound treatment -0.035 0.0944 0.13 -0.5 -0.429 -0.85 -0.493 -0.442938564026647 -0.853111714040125 -0.9036 -0.7473 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P11 mock treatment -0.053 0.0764 0.11 -0.165 -0.0936 -0.18 0.0 0.050061435973353 0.096419686428495 0.0117 0.0499 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P12 mock treatment -0.491 -0.362 -0.51 -0.289 -0.218 -0.43 -0.246 -0.195938564026647 -0.377383000215076 -0.7627 -0.9919 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P13 compound treatment 0.34 0.469 0.67 0.054 0.125 0.25 -0.53 -0.479938564026647 -0.924374719754809 -0.0054 -0.0046 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P14 compound treatment 0.304 0.433 0.62 0.076 0.147 0.29 -0.164 -0.113938564026647 -0.219448771333886 0.3971 0.5547 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P15 compound treatment -0.25 -0.121 -0.17 0.089 0.16 0.32 0.327 0.377061435973353 0.726230574771779 0.5032 0.6207 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P16 compound treatment 0.349 0.478 0.68 0.386 0.457 0.9 0.569 0.619061435973353 1.19232915268944 1.6026 0.9753 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P17 compound treatment -0.037 0.0924 0.13 -0.132 -0.0606 -0.12 -0.063 -0.012938564026647 -0.0249200260046147 -0.0076 -0.0422 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P18 compound treatment -0.746 -0.617 -0.88 0.324 0.395 0.78 -0.116 -0.065938564026647 -0.126999466622945 -0.1287 -0.109 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P19 compound treatment -0.478 -0.349 -0.5 0.142 0.213 0.42 0.229 0.279061435973353 0.537479910986941 0.2675 0.317 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P20 compound treatment -0.103 0.0264 0.04 -0.364 -0.293 -0.58 -0.292 -0.241938564026647 -0.465980250563061 -0.5809 -0.7817 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P21 compound treatment -0.508 -0.379 -0.54 -0.238 -0.167 -0.33 -0.479 -0.428938564026647 -0.826147333499434 -0.9776 -0.9405 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P22 compound treatment 0.0 0.129 0.18 0.212 0.283 0.56 0.31 0.360061435973353 0.693488112686654 0.8297 0.9119 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P23 compound treatment -0.566 -0.437 -0.62 -0.571 -0.5 -0.99 -0.086 -0.035938564026647 -0.0692186511786071 -0.9678 -0.829 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2294 P24 compound treatment -0.719 -0.59 -0.84 -1.098 -1.03 -2.03 -1.531 -1.48093856402665 -2.85232792841422 -3.301 -0.9174 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A01 compound treatment 0.206 0.335 0.48 0.582 0.653 1.29 0.119 0.169061435973353 0.325616921024369 1.2082 0.8548 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A02 compound treatment 0.227 0.356 0.51 -0.016 0.0554 0.11 0.284 0.334061435973353 0.643411405968228 0.7272 0.8801 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A03 compound treatment 1.135 1.26 1.69 0.347 0.418 0.83 0.588 0.638061435973353 1.22892366913752 2.1614 0.9624 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A04 compound treatment -0.611 -0.482 -0.68 -0.219 -0.148 -0.29 -0.241 -0.190938564026647 -0.367752864307687 -0.7759 -0.9347 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A05 compound treatment -0.516 -0.387 -0.55 -0.017 0.0544 0.11 -0.741 -0.690938564026647 -1.33076645504665 -1.0236 -0.709 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A06 compound treatment 0.413 0.542 0.77 -0.356 -0.285 -0.56 -0.083 -0.032938564026647 -0.0634405696341733 0.0842 0.0881 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A07 compound treatment -0.328 -0.199 -0.28 0.152 0.223 0.44 0.068 0.118061435973353 0.227389534768994 0.223 0.3905 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A08 compound treatment -0.583 -0.454 -0.64 0.021 0.0924 0.18 -0.296 -0.245938564026647 -0.473684359288973 -0.5404 -0.6585 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A09 compound treatment -0.341 -0.212 -0.3 -0.055 0.0164 0.03 -0.169 -0.118938564026647 -0.229078907241275 -0.2872 -0.7568 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A10 compound treatment 0.101 0.23 0.33 -0.362 -0.291 -0.57 -0.41 -0.359938564026647 -0.693251457977457 -0.5424 -0.5663 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A11 compound treatment -0.871 -0.742 -1.05 -0.59 -0.519 -1.02 -0.417 -0.366938564026647 -0.706733648247802 -1.6079 -0.986 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A12 compound treatment 0.082 0.211 0.3 0.05 0.121 0.24 0.365 0.415061435973353 0.79941960766794 0.7735 0.872 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A13 mock treatment 0.175 0.304 0.43 0.273 0.344 0.68 0.594 0.644061435973353 1.24047983222639 1.3587 0.9184 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A14 mock treatment -0.258 -0.129 -0.18 -0.081 -0.00956 -0.02 -0.203 -0.152938564026647 -0.294563831411525 -0.2865 -0.8252 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A15 compound treatment -0.288 -0.159 -0.23 -0.185 -0.114 -0.22 -0.103 -0.052938564026647 -0.101961113263732 -0.3185 -0.9538 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A16 compound treatment 0.021 0.15 0.21 0.933 1.0 1.98 1.0 1.05006143597335 2.02244686790643 2.4362 0.8576 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A17 compound treatment 0.71 0.839 1.19 0.552 0.623 1.23 0.105 0.155061435973353 0.298652540483678 1.5722 0.9034 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A18 compound treatment 0.64 0.769 1.09 0.339 0.41 0.81 0.38 0.430061435973353 0.828310015390109 1.5777 0.99 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A19 compound treatment 0.051 0.18 0.26 0.087 0.158 0.31 0.232 0.282061435973353 0.543257992531375 0.6424 0.9484 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A20 compound treatment -0.397 -0.268 -0.38 0.087 0.158 0.31 0.217 0.267061435973353 0.514367584809206 0.2579 0.3622 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A21 compound treatment 0.744 0.873 1.24 0.054 0.125 0.25 0.205 0.255061435973353 0.491255258631471 1.1436 0.842 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A22 compound treatment 0.678 0.807 1.15 0.508 0.579 1.14 0.422 0.472061435973353 0.909203157012182 1.8483 0.9946 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A23 compound treatment 1.211 1.34 1.73 1.2 1.27 2.29 1.108 1.15806143597335 2.12074730166225 3.5468 0.9935 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 A24 compound treatment 0.0 0.129 0.18 -0.098 -0.0266 -0.05 -0.214 -0.163938564026647 -0.315750130407782 -0.1064 -0.2881 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B01 compound treatment -0.474 -0.345 -0.49 -0.1 -0.0286 -0.06 -0.066 -0.015938564026647 -0.0306981075490485 -0.3331 -0.6742 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B02 compound treatment 0.657 0.786 1.12 0.031 0.102 0.2 0.289 0.339061435973353 0.653041541875617 1.1393 0.8694 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B03 compound treatment 0.149 0.278 0.4 0.704 0.775 1.53 0.829 0.879061435973353 1.6930962198737 2.09 0.9021 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B04 compound treatment 0.188 0.317 0.45 -0.314 -0.243 -0.48 0.03 0.080061435973353 0.154200501872833 0.0731 0.1081 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B05 compound treatment -0.311 -0.182 -0.26 0.088 0.159 0.31 -0.044 0.006061435973353 0.011674490443466 0.0394 0.0968 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B06 compound treatment 0.479 0.608 0.87 0.224 0.295 0.58 0.091 0.141061435973353 0.271688159942987 0.9931 0.9211 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B07 compound treatment 2.0 2.13 2.06 0.918 0.989 1.95 1.174 1.22406143597335 2.17640013642894 3.5714 0.999 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B08 compound treatment -1.339 -1.21 -1.72 -0.965 -0.894 -1.76 -0.379 -0.328938564026647 -0.633544615351641 -2.3773 -0.9345 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B09 compound treatment -0.239 -0.11 -0.16 0.031 0.102 0.2 -0.294 -0.243938564026647 -0.469832304926017 -0.2444 -0.4571 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B10 compound treatment -0.562 -0.433 -0.62 -0.397 -0.326 -0.64 -0.907 -0.856938564026647 -1.65048696717199 -1.6791 -0.8955 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B11 compound treatment -0.023 0.106 0.15 0.049 0.12 0.24 0.107 0.157061435973353 0.302504594846634 0.3993 0.9657 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B12 compound treatment -0.032 0.0974 0.14 -0.177 -0.106 -0.21 -0.275 -0.224938564026647 -0.433237788477936 -0.2905 -0.5806 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B13 mock treatment -0.103 0.0264 0.04 0.033 0.104 0.21 0.032 0.082061435973353 0.158052556235789 0.232 0.8837 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B14 mock treatment 0.206 0.335 0.48 0.09 0.161 0.32 0.0 0.050061435973353 0.096419686428495 0.515 0.8855 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B15 compound treatment 0.321 0.45 0.64 0.284 0.355 0.7 0.167 0.217061435973353 0.41806622573531 1.0163 0.9791 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B16 compound treatment 0.526 0.655 0.93 0.308 0.379 0.75 0.194 0.244061435973353 0.470068959635214 1.242 0.9667 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B17 compound treatment -0.196 -0.0666 -0.09 -0.018 0.0534 0.11 0.284 0.334061435973353 0.643411405968228 0.3777 0.5733 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B18 compound treatment 0.229 0.358 0.51 0.158 0.229 0.45 0.086 0.136061435973353 0.262058024035597 0.7071 0.968 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B19 compound treatment -0.107 0.0224 0.03 0.052 0.123 0.24 -0.015 0.035061435973353 0.067529278706326 0.1981 0.7771 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B20 compound treatment 0.262 0.391 0.56 -0.031 0.0404 0.08 0.225 0.275061435973353 0.52977580226103 0.6733 0.8716 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B21 compound treatment -0.417 -0.288 -0.41 -0.212 -0.141 -0.28 -0.478 -0.427938564026647 -0.824221306317956 -0.8722 -0.9076 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B22 compound treatment -0.306 -0.177 -0.25 -0.056 0.0154 0.03 -0.691 -0.640938564026647 -1.23446509597276 -0.8401 -0.6667 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B23 compound treatment -0.325 -0.196 -0.28 -0.342 -0.271 -0.53 -0.544 -0.493938564026647 -0.9513391002955 -1.0182 -0.9043 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 B24 compound treatment 0.033 0.162 0.23 0.032 0.103 0.2 -0.132 -0.081938564026647 -0.157815901526592 0.1601 0.4623 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C01 compound treatment 0.167 0.296 0.42 -0.216 -0.145 -0.29 -0.012 0.038061435973353 0.0733073602507598 0.1208 0.235 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C02 compound treatment 0.093 0.222 0.32 -0.237 -0.166 -0.33 -0.099 -0.048938564026647 -0.0942570045378202 -0.0606 -0.1304 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C03 compound treatment -0.403 -0.274 -0.39 -0.403 -0.332 -0.65 -0.188 -0.137938564026647 -0.265673423689356 -0.7559 -0.9373 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C04 compound treatment -0.518 -0.389 -0.55 -0.058 0.0134 0.03 -0.254 -0.203938564026647 -0.3927912176669 -0.5304 -0.7819 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C05 compound treatment -0.29 -0.161 -0.23 0.313 0.384 0.76 0.185 0.235061435973353 0.452734715001912 0.5678 0.622 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C06 compound treatment -1.093 -0.964 -1.37 -0.7 -0.629 -1.24 -0.682 -0.631938564026647 -1.21713085133945 -2.2102 -0.9986 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C07 compound treatment 0.179 0.308 0.44 -0.048 0.0234 0.05 0.432 0.482061435973353 0.928463428826962 0.8159 0.7938 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C08 compound treatment -0.016 0.113 0.16 0.387 0.458 0.91 0.125 0.175061435973353 0.337173084113236 0.8104 0.8275 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C09 compound treatment -0.323 -0.194 -0.28 -0.379 -0.308 -0.61 -0.329 -0.278938564026647 -0.537243256277745 -0.8197 -0.9573 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C10 compound treatment 0.469 0.598 0.85 0.465 0.536 1.06 0.392 0.442061435973353 0.851422341567844 1.5943 0.9944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C11 mock treatment -0.391 -0.262 -0.37 -0.009 0.0624 0.12 -0.325 -0.274938564026647 -0.529539147551833 -0.4493 -0.682 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C12 mock treatment -0.067 0.0624 0.09 -0.082 -0.0106 -0.02 0.029 0.079061435973353 0.152274474691355 0.1271 0.7162 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C13 compound treatment -0.143 -0.0136 -0.02 0.25 0.321 0.63 0.632 0.682061435973353 1.31366886512255 1.1137 0.7633 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C14 compound treatment 0.509 0.638 0.91 0.221 0.292 0.58 0.361 0.411061435973353 0.791715498942028 1.3145 0.9841 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C15 mock treatment -0.018 0.111 0.16 -0.029 0.0424 0.08 0.032 0.082061435973353 0.158052556235789 0.2311 0.9671 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C16 mock treatment 0.056 0.185 0.26 0.087 0.158 0.31 0.375 0.425061435973353 0.818679879482719 0.8055 0.8801 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C17 compound treatment 0.016 0.145 0.21 0.079 0.15 0.3 0.23 0.280061435973353 0.539405938168419 0.6023 0.9272 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C18 compound treatment 0.594 0.723 1.03 0.07 0.141 0.28 0.636 0.686061435973353 1.32137297384846 1.518 0.8942 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C19 compound treatment 0.623 0.752 1.07 1.202 1.27 2.29 0.792 0.842061435973353 1.62183321415902 2.8778 0.9576 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C20 compound treatment -0.066 0.0634 0.09 -0.197 -0.126 -0.25 -0.116 -0.065938564026647 -0.126999466622945 -0.1644 -0.5615 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C21 compound treatment 0.063 0.192 0.27 -0.288 -0.217 -0.43 0.013 0.063061435973353 0.121458039787708 -0.0188 -0.036 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C22 compound treatment -0.197 -0.0676 -0.1 -0.151 -0.0796 -0.16 -0.197 -0.146938564026647 -0.283007668322658 -0.3096 -0.9169 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C23 compound treatment 0.818 0.947 1.35 0.073 0.144 0.29 0.207 0.257061435973353 0.495107312994427 1.2282 0.8394 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 C24 compound treatment 0.016 0.145 0.21 0.15 0.221 0.44 -0.09 -0.039938564026647 -0.0769227599045188 0.3274 0.6685 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D01 compound treatment -0.222 -0.0926 -0.13 -0.083 -0.0116 -0.02 0.049 0.099061435973353 0.190795018320914 0.021 0.09 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D02 compound treatment -0.178 -0.0486 -0.07 0.209 0.28 0.55 0.033 0.083061435973353 0.159978583417267 0.3722 0.6411 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D03 compound treatment 1.944 2.07 2.04 1.273 1.34 2.35 1.231 1.28106143597335 2.22203631223832 3.8154 0.9983 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D04 compound treatment -0.164 -0.0346 -0.05 0.597 0.668 1.32 0.276 0.326061435973353 0.628003188516404 1.0962 0.7496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D05 compound treatment -0.842 -0.713 -1.01 -0.443 -0.372 -0.73 -0.381 -0.330938564026647 -0.637396669714597 -1.3765 -0.9805 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D06 compound treatment -0.048 0.0814 0.12 -0.586 -0.515 -1.02 0.242 0.292061435973353 0.562518264346154 -0.195 -0.1671 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D07 compound treatment -0.258 -0.129 -0.18 -0.473 -0.402 -0.79 0.179 0.229061435973353 0.441178551913045 -0.3086 -0.3334 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D08 compound treatment 0.454 0.583 0.83 -0.492 -0.421 -0.83 -0.121 -0.070938564026647 -0.136629602530335 -0.0794 -0.0672 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D09 compound treatment -0.269 -0.14 -0.2 -0.336 -0.265 -0.52 -0.053 -0.002938564026647 -0.00565975418983537 -0.4195 -0.7506 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D10 compound treatment 0.103 0.232 0.33 -0.471 -0.4 -0.79 -0.443 -0.392938564026647 -0.756810354966229 -0.7017 -0.6144 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D11 mock treatment -0.296 -0.167 -0.24 0.09 0.161 0.32 -0.182 -0.131938564026647 -0.254117260600489 -0.0994 -0.2109 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D12 mock treatment -0.037 0.0924 0.13 0.075 0.146 0.29 0.045 0.095061435973353 0.183090909595002 0.3485 0.9507 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D13 compound treatment 0.098 0.227 0.32 0.257 0.328 0.65 -0.263 -0.212938564026647 -0.410125462300201 0.3243 0.3895 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D14 compound treatment -0.941 -0.812 -1.15 -0.247 -0.176 -0.35 -0.606 -0.555938564026647 -1.07075278554713 -1.4845 -0.921 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D15 mock treatment -0.054 0.0754 0.11 0.133 0.204 0.4 0.281 0.331061435973353 0.637633324423794 0.6631 0.8699 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D16 mock treatment 0.089 0.218 0.31 -0.224 -0.153 -0.3 0.088 0.138061435973353 0.265910078398553 0.1589 0.3129 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D17 compound treatment 0.579 0.708 1.01 -0.57 -0.499 -0.98 -0.048 0.002061435973353 0.00397038171755429 0.0154 0.011 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D18 compound treatment 0.138 0.267 0.38 0.868 0.939 1.85 0.25 0.300061435973353 0.577926481797978 1.6241 0.8204 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D19 compound treatment 0.857 0.986 1.4 -0.226 -0.155 -0.31 0.505 0.555061435973353 1.06906341307485 1.2507 0.6989 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D20 compound treatment 0.847 0.976 1.39 0.764 0.835 1.65 0.262 0.312061435973353 0.601038807975713 2.1009 0.9387 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D21 compound treatment 2.333 2.46 2.15 1.074 1.15 2.18 1.381 1.43106143597335 2.3325717191965 3.8496 0.9994 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D22 compound treatment 0.277 0.406 0.58 0.527 0.598 1.18 0.119 0.169061435973353 0.325616921024369 1.2038 0.8884 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D23 compound treatment 0.228 0.357 0.51 -0.127 -0.0556 -0.11 -0.09 -0.039938564026647 -0.0769227599045188 0.1856 0.3532 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 D24 compound treatment -0.638 -0.509 -0.72 -0.141 -0.0696 -0.14 -0.114 -0.063938564026647 -0.123147412259989 -0.5679 -0.761 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E01 mock treatment 0.066 0.195 0.28 0.093 0.164 0.32 0.015 0.065061435973353 0.125310094150664 0.4202 0.9436 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E02 mock treatment -0.101 0.0284 0.04 -0.086 -0.0146 -0.03 -0.243 -0.192938564026647 -0.371604918670642 -0.2078 -0.5544 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E03 compound treatment 0.597 0.726 1.03 0.694 0.765 1.51 0.64 0.690061435973353 1.32907708257437 2.2362 0.9885 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E04 compound treatment -0.309 -0.18 -0.26 -0.125 -0.0536 -0.11 -0.167 -0.116938564026647 -0.22522685287832 -0.3385 -0.9495 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E05 compound treatment 0.0 0.129 0.18 -0.317 -0.246 -0.48 -0.311 -0.260938564026647 -0.502574767011142 -0.4639 -0.6423 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E06 compound treatment -0.236 -0.107 -0.15 0.103 0.174 0.34 0.344 0.394061435973353 0.758973036856903 0.5496 0.6487 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E07 compound treatment -0.131 -0.00159 0.0 0.083 0.154 0.3 -0.014 0.036061435973353 0.069455305887804 0.2149 0.687 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E08 compound treatment -0.1 0.0294 0.04 -0.393 -0.322 -0.63 -0.2 -0.149938564026647 -0.288785749867091 -0.5092 -0.7287 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E09 mock treatment 0.15 0.279 0.4 -0.145 -0.0736 -0.15 0.055 0.105061435973353 0.202351181409781 0.2623 0.5595 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E10 mock treatment -0.887 -0.758 -1.08 -0.367 -0.296 -0.58 -0.364 -0.313938564026647 -0.604654207629472 -1.3079 -0.9574 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E11 compound treatment -0.565 -0.436 -0.62 -0.747 -0.676 -1.33 -0.721 -0.670938564026647 -1.29224591141709 -1.8738 -0.9571 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E12 compound treatment -0.208 -0.0786 -0.11 -0.161 -0.0896 -0.18 -0.174 -0.123938564026647 -0.238709043148665 -0.3044 -0.9591 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E13 compound treatment 0.042 0.171 0.24 0.294 0.365 0.72 0.203 0.253061435973353 0.487403204268515 0.8387 0.9275 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E14 compound treatment 0.838 0.967 1.38 0.126 0.197 0.39 0.444 0.494061435973353 0.951575755004697 1.5686 0.9134 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E15 compound treatment -0.111 0.0184 0.03 -0.462 -0.391 -0.77 -0.256 -0.205938564026647 -0.396643272029856 -0.6591 -0.7597 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E16 compound treatment 0.28 0.409 0.58 0.484 0.555 1.1 0.361 0.411061435973353 0.791715498942028 1.4264 0.9686 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E17 mock treatment -0.693 -0.564 -0.8 -0.254 -0.183 -0.36 -0.659 -0.608938564026647 -1.17283222616546 -1.3479 -0.9198 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E18 mock treatment -0.566 -0.437 -0.62 -0.641 -0.57 -1.12 -0.653 -0.602938564026647 -1.16127606307659 -1.6781 -0.9691 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E19 compound treatment 0.101 0.23 0.33 0.0 0.0714 0.14 -0.359 -0.308938564026647 -0.595024071722082 -0.073 -0.1052 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E20 compound treatment 0.747 0.876 1.25 0.655 0.726 1.43 0.549 0.599061435973353 1.15380860905988 2.2137 0.9959 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E21 compound treatment 0.389 0.518 0.74 0.056 0.127 0.25 0.076 0.126061435973353 0.242797752220818 0.711 0.8715 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E22 compound treatment -0.043 0.0864 0.12 0.036 0.107 0.21 -0.265 -0.214938564026647 -0.413977516663157 -0.0456 -0.0948 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E23 compound treatment 0.073 0.202 0.29 -0.304 -0.233 -0.46 -0.083 -0.032938564026647 -0.0634405696341733 -0.1356 -0.2485 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 E24 compound treatment -0.015 0.114 0.16 -0.397 -0.326 -0.64 -0.278 -0.227938564026647 -0.43901587002237 -0.5307 -0.6673 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F01 mock treatment 0.033 0.162 0.23 -0.2 -0.129 -0.25 -0.143 -0.092938564026647 -0.179002200522849 -0.1166 -0.3012 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F02 mock treatment -0.016 0.113 0.16 0.186 0.257 0.51 0.027 0.077061435973353 0.148422420328399 0.4723 0.8532 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F03 compound treatment 0.616 0.745 1.06 0.029 0.1 0.2 -0.045 0.005061435973353 0.00974846326198809 0.732 0.6789 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F04 compound treatment 0.375 0.504 0.72 0.063 0.134 0.27 0.162 0.212061435973353 0.40843608982792 0.8031 0.9264 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F05 compound treatment -0.094 0.0354 0.05 0.407 0.478 0.94 -0.319 -0.268938564026647 -0.517982984462965 0.2754 0.2554 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F06 compound treatment 0.353 0.482 0.69 -0.027 0.0444 0.09 0.449 0.499061435973353 0.961205890912086 1.0016 0.8459 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F07 compound treatment 0.254 0.383 0.55 0.136 0.207 0.41 -0.1 -0.049938564026647 -0.0961830317192982 0.4957 0.7198 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F08 compound treatment 0.157 0.286 0.41 0.313 0.384 0.76 0.258 0.308061435973353 0.593334699249801 1.0159 0.9713 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F09 mock treatment -0.135 -0.00559 -0.01 0.121 0.192 0.38 0.133 0.183061435973353 0.35258130156506 0.4183 0.807 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F10 mock treatment 0.209 0.338 0.48 -0.183 -0.112 -0.22 -0.128 -0.077938564026647 -0.15011179280068 0.0639 0.1162 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F11 compound treatment 0.284 0.413 0.59 0.043 0.114 0.23 0.243 0.293061435973353 0.564444291527632 0.7957 0.9409 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F12 compound treatment 0.169 0.298 0.42 0.385 0.456 0.9 0.286 0.336061435973353 0.647263460331183 1.139 0.9588 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F13 compound treatment 0.046 0.175 0.25 0.189 0.26 0.51 0.226 0.276061435973353 0.531701829442508 0.7479 0.9581 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F14 compound treatment -0.244 -0.115 -0.16 -0.131 -0.0596 -0.12 -0.041 0.009061435973353 0.0174525719878998 -0.1519 -0.7531 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F15 compound treatment 0.081 0.21 0.3 0.032 0.103 0.2 0.171 0.221061435973353 0.425770334461221 0.5365 0.9597 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F16 compound treatment -0.507 -0.378 -0.54 -0.162 -0.0906 -0.18 -0.159 -0.108938564026647 -0.209818635426496 -0.5343 -0.8854 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F17 mock treatment -0.155 -0.0256 -0.04 -0.065 0.00644 0.01 -0.263 -0.212938564026647 -0.410125462300201 -0.2505 -0.608 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F18 mock treatment -0.323 -0.194 -0.28 -0.17 -0.0986 -0.19 0.374 0.424061435973353 0.816753852301242 0.2003 0.2267 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F19 compound treatment -0.039 0.0904 0.13 0.768 0.839 1.66 0.119 0.169061435973353 0.325616921024369 1.2192 0.7197 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F20 compound treatment 0.295 0.424 0.6 0.373 0.444 0.88 0.243 0.293061435973353 0.564444291527632 1.1809 0.9798 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F21 compound treatment 0.233 0.362 0.52 -0.089 -0.0176 -0.03 -0.082 -0.031938564026647 -0.0615145424526954 0.242 0.4652 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F22 compound treatment 0.529 0.658 0.94 0.127 0.198 0.39 0.052 0.102061435973353 0.196573099865347 0.8802 0.8515 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F23 compound treatment 0.266 0.395 0.56 0.229 0.3 0.59 1.043 1.09306143597335 2.062727422809 1.858 0.8374 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 F24 compound treatment -0.027 0.102 0.15 0.082 0.153 0.3 -0.118 -0.067938564026647 -0.130851520985901 0.1834 0.5085 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G01 compound treatment 0.057 0.186 0.27 -0.203 -0.132 -0.26 0.081 0.131061435973353 0.252427888128207 0.1488 0.3315 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G02 compound treatment -0.474 -0.345 -0.49 -0.28 -0.209 -0.41 0.129 0.179061435973353 0.344877192839148 -0.3215 -0.4422 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G03 mock treatment 0.089 0.218 0.31 -0.015 0.0564 0.11 0.017 0.067061435973353 0.12916214851362 0.3182 0.8981 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G04 mock treatment 0.125 0.254 0.36 0.03 0.101 0.2 0.086 0.136061435973353 0.262058024035597 0.4758 0.9719 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G05 compound treatment 0.051 0.18 0.26 0.349 0.42 0.83 0.542 0.592061435973353 1.14032641878953 1.2858 0.8968 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G06 compound treatment -0.031 0.0984 0.14 -0.054 0.0174 0.03 -0.129 -0.078938564026647 -0.152037819982158 0.0129 0.0615 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G07 compound treatment 0.0 0.129 0.18 0.56 0.631 1.25 0.447 0.497061435973353 0.957353836549131 1.3788 0.8712 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G08 compound treatment -0.113 0.0164 0.02 0.705 0.776 1.53 0.324 0.374061435973353 0.720452493227345 1.3146 0.776 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G09 compound treatment 0.433 0.562 0.8 -0.569 -0.498 -0.98 0.133 0.183061435973353 0.35258130156506 0.098 0.0745 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G10 compound treatment 0.298 0.427 0.61 0.058 0.129 0.26 -0.114 -0.063938564026647 -0.123147412259989 0.4273 0.6372 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G11 compound treatment -0.242 -0.113 -0.16 0.075 0.146 0.29 0.305 0.355061435973353 0.683857976779264 0.4693 0.6179 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G12 compound treatment 0.197 0.326 0.46 -0.026 0.0454 0.09 0.03 0.080061435973353 0.154200501872833 0.4088 0.8221 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G13 compound treatment 0.982 1.11 1.58 0.583 0.654 1.29 -0.046 0.004061435973353 0.00782243608051015 1.6629 0.8146 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G14 compound treatment -0.015 0.114 0.16 -0.029 0.0424 0.08 -0.192 -0.141938564026647 -0.273377532415268 -0.0155 -0.0472 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G15 compound treatment -0.537 -0.408 -0.58 0.061 0.132 0.26 -0.119 -0.068938564026647 -0.132777548167379 -0.2603 -0.4007 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G16 compound treatment -0.609 -0.48 -0.68 -0.162 -0.0906 -0.18 -0.225 -0.174938564026647 -0.33693642940404 -0.6914 -0.885 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G17 compound treatment 0.0 0.129 0.18 -0.016 0.0554 0.11 0.413 0.463061435973353 0.891868912378881 0.6843 0.7461 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G18 compound treatment 0.464 0.593 0.84 0.509 0.58 1.15 0.12 0.170061435973353 0.327542948205847 1.3379 0.9162 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G19 mock treatment -0.079 0.0504 0.07 -0.293 -0.222 -0.44 -0.066 -0.015938564026647 -0.0306981075490485 -0.2289 -0.5152 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G20 mock treatment -0.333 -0.204 -0.29 -0.167 -0.0956 -0.19 -0.07 -0.019938564026647 -0.0384022162749602 -0.2982 -0.8578 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G21 compound treatment -0.343 -0.214 -0.3 -0.129 -0.0576 -0.11 -0.474 -0.423938564026647 -0.816517197592045 -0.7124 -0.8108 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G22 compound treatment 0.278 0.407 0.58 -0.324 -0.253 -0.5 0.078 0.128061435973353 0.246649806583774 0.1889 0.2352 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G23 compound treatment -0.136 -0.00659 -0.01 -0.474 -0.403 -0.79 -0.575 -0.524938564026647 -1.01104594292132 -1.0481 -0.8149 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 G24 compound treatment 0.156 0.285 0.41 0.045 0.116 0.23 0.125 0.175061435973353 0.337173084113236 0.5617 0.976 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H01 compound treatment 0.048 0.177 0.25 0.08 0.151 0.3 -0.053 -0.002938564026647 -0.00565975418983537 0.315 0.8051 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H02 compound treatment 0.235 0.364 0.52 0.233 0.304 0.6 -0.035 0.015061435973353 0.0290087350767674 0.6629 0.8348 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H03 mock treatment -0.014 0.115 0.16 0.049 0.12 0.24 0.069 0.119061435973353 0.229315561950472 0.3644 0.988 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H04 mock treatment 0.273 0.402 0.57 0.348 0.419 0.83 0.033 0.083061435973353 0.159978583417267 0.9008 0.8838 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H05 compound treatment -0.056 0.0734 0.1 0.025 0.0964 0.19 -0.048 0.002061435973353 0.00397038171755429 0.1725 0.7942 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H06 compound treatment 0.032 0.161 0.23 0.074 0.145 0.29 0.074 0.124061435973353 0.238945697857862 0.4362 0.995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H07 compound treatment 0.753 0.882 1.25 0.766 0.837 1.65 0.336 0.386061435973353 0.74356481940508 2.1083 0.9562 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H08 compound treatment -0.312 -0.183 -0.26 -0.541 -0.47 -0.93 -0.517 -0.466938564026647 -0.899336366395596 -1.2044 -0.9142 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H09 compound treatment -0.4 -0.271 -0.38 0.271 0.342 0.68 -0.474 -0.423938564026647 -0.816517197592045 -0.3032 -0.2688 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H10 compound treatment 0.03 0.159 0.23 0.216 0.287 0.57 -0.433 -0.382938564026647 -0.737550083151449 0.0327 0.0341 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H11 compound treatment 0.18 0.309 0.44 0.518 0.589 1.16 0.576 0.626061435973353 1.20581134295978 1.6221 0.9362 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H12 compound treatment -0.016 0.113 0.16 -0.169 -0.0976 -0.19 -0.31 -0.259938564026647 -0.500648739829664 -0.3072 -0.5484 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H13 compound treatment 0.0 0.129 0.18 -0.091 -0.0196 -0.04 0.03 0.080061435973353 0.154200501872833 0.173 0.7113 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H14 compound treatment -0.32 -0.191 -0.27 -0.087 -0.0156 -0.03 -0.03 0.020061435973353 0.0386388709841571 -0.1519 -0.5514 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H15 compound treatment 0.145 0.274 0.39 0.224 0.295 0.58 0.262 0.312061435973353 0.601038807975713 0.9091 0.9838 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H16 compound treatment 0.75 0.879 1.25 0.464 0.535 1.06 0.458 0.508061435973353 0.978540135545388 1.8972 0.9946 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H17 compound treatment 0.018 0.147 0.21 0.21 0.281 0.56 -0.047 0.003061435973353 0.00589640889903222 0.4452 0.7496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H18 compound treatment -0.175 -0.0456 -0.06 -0.137 -0.0656 -0.13 -0.085 -0.034938564026647 -0.0672926239971292 -0.151 -0.9459 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H19 mock treatment -0.032 0.0974 0.14 -0.151 -0.0796 -0.16 0.0 0.050061435973353 0.096419686428495 0.0449 0.1949 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H20 mock treatment 0.303 0.432 0.61 0.193 0.264 0.52 -0.236 -0.185938564026647 -0.358122728400297 0.4496 0.5095 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H21 compound treatment -0.182 -0.0526 -0.07 -0.012 0.0594 0.12 0.164 0.214061435973353 0.412288144190876 0.2626 0.6035 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H22 compound treatment 0.0 0.129 0.18 -0.397 -0.326 -0.64 0.014 0.064061435973353 0.123384066969186 -0.1937 -0.2848 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H23 compound treatment -0.032 0.0974 0.14 0.143 0.214 0.42 0.325 0.375061435973353 0.722378520408823 0.7415 0.8737 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 H24 compound treatment -0.254 -0.125 -0.18 -0.014 0.0574 0.11 -0.074 -0.023938564026647 -0.0461063250008719 -0.0634 -0.2945 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I01 compound treatment 0.014 0.143 0.2 -0.038 0.0334 0.07 0.232 0.282061435973353 0.543257992531375 0.4695 0.8039 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I02 compound treatment 0.092 0.221 0.31 0.061 0.132 0.26 -0.027 0.023061435973353 0.0444169525285909 0.3584 0.8706 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I03 compound treatment -0.622 -0.493 -0.7 0.158 0.229 0.45 -0.278 -0.227938564026647 -0.43901587002237 -0.3963 -0.4204 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I04 compound treatment -0.388 -0.259 -0.37 -0.178 -0.107 -0.21 -0.392 -0.341938564026647 -0.658582968710854 -0.714 -0.9118 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I05 mock treatment -0.393 -0.264 -0.37 -0.101 -0.0296 -0.06 -0.844 -0.793938564026647 -1.52914725473888 -1.1329 -0.7191 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I06 mock treatment -0.293 -0.164 -0.23 -0.47 -0.399 -0.79 -0.242 -0.191938564026647 -0.369678891489164 -0.8021 -0.8912 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I07 compound treatment -0.086 0.0434 0.06 0.236 0.307 0.61 -0.303 -0.252938564026647 -0.487166549559318 0.1048 0.1343 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I08 compound treatment 0.045 0.174 0.25 0.111 0.182 0.36 -0.152 -0.101938564026647 -0.196336445156151 0.2378 0.496 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I09 compound treatment -0.278 -0.149 -0.21 0.415 0.486 0.96 0.2 0.250061435973353 0.481625122724081 0.7106 0.6489 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I10 compound treatment -0.244 -0.115 -0.16 0.089 0.16 0.32 -0.111 -0.060938564026647 -0.117369330715555 0.0211 0.0562 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I11 compound treatment 0.185 0.314 0.45 0.382 0.453 0.9 -0.196 -0.145938564026647 -0.28108164114118 0.6127 0.5895 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I12 compound treatment -0.025 0.104 0.15 -0.054 0.0174 0.03 0.0 0.050061435973353 0.096419686428495 0.1613 0.8942 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I13 compound treatment -0.118 0.0114 0.02 0.0 0.0714 0.14 0.051 0.101061435973353 0.19464707268387 0.2032 0.8433 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I14 compound treatment -0.031 0.0984 0.14 -0.186 -0.115 -0.23 0.028 0.078061435973353 0.150348447509877 0.037 0.1211 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I15 compound treatment -0.814 -0.685 -0.97 -0.763 -0.692 -1.37 -0.7 -0.649938564026647 -1.25179934060606 -2.0731 -0.9907 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I16 compound treatment -0.245 -0.116 -0.16 -0.188 -0.117 -0.23 -0.257 -0.206938564026647 -0.398569299211333 -0.4579 -0.9369 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I17 compound treatment -1.148 -1.02 -1.45 -0.238 -0.167 -0.33 0.232 0.282061435973353 0.543257992531375 -0.7124 -0.4505 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I18 compound treatment -0.309 -0.18 -0.26 -0.627 -0.556 -1.1 -0.465 -0.414938564026647 -0.799182952958743 -1.2422 -0.8995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I19 compound treatment -0.176 -0.0466 -0.07 0.556 0.627 1.24 0.489 0.539061435973353 1.0382469781712 1.2765 0.789 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I20 compound treatment -0.093 0.0364 0.05 -0.315 -0.244 -0.48 -0.066 -0.015938564026647 -0.0306981075490485 -0.2655 -0.5478 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I21 mock treatment -0.01 0.119 0.17 -0.038 0.0334 0.07 -0.024 0.026061435973353 0.0501950340730246 0.1651 0.8739 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I22 mock treatment 0.207 0.336 0.48 -0.107 -0.0356 -0.07 -0.247 -0.196938564026647 -0.379309027396554 0.0166 0.027 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I23 compound treatment 0.046 0.175 0.25 -0.357 -0.286 -0.56 -0.424 -0.373938564026647 -0.720215838518148 -0.5974 -0.6301 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 I24 compound treatment -0.153 -0.0236 -0.03 -0.281 -0.21 -0.41 -0.027 0.023061435973353 0.0444169525285909 -0.2326 -0.5572 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J01 compound treatment -0.243 -0.114 -0.16 -0.306 -0.235 -0.46 -0.323 -0.272938564026647 -0.525687093188877 -0.6641 -0.9237 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J02 compound treatment 0.6 0.729 1.04 0.476 0.547 1.08 0.419 0.469061435973353 0.903425075467748 1.7444 0.9972 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J03 compound treatment -0.164 -0.0346 -0.05 -0.033 0.0384 0.08 -0.389 -0.338938564026647 -0.65280488716642 -0.3615 -0.5485 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J04 compound treatment -0.254 -0.125 -0.18 0.375 0.446 0.88 -0.247 -0.196938564026647 -0.379309027396554 0.1877 0.1923 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J05 mock treatment -0.6 -0.471 -0.67 -0.35 -0.279 -0.55 -0.118 -0.067938564026647 -0.130851520985901 -0.7794 -0.8898 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J06 mock treatment -0.016 0.113 0.16 0.05 0.121 0.24 0.132 0.182061435973353 0.350655274383582 0.434 0.9551 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J07 compound treatment -0.048 0.0814 0.12 -0.143 -0.0716 -0.14 -0.257 -0.206938564026647 -0.398569299211333 -0.2449 -0.5585 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J08 compound treatment -0.234 -0.105 -0.15 0.064 0.135 0.27 0.132 0.182061435973353 0.350655274383582 0.271 0.5823 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J09 compound treatment 0.041 0.17 0.24 -0.036 0.0354 0.07 0.014 0.064061435973353 0.123384066969186 0.2515 0.8959 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J10 compound treatment -0.317 -0.188 -0.27 -0.296 -0.225 -0.44 -0.506 -0.455938564026647 -0.878150067399338 -0.917 -0.8997 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J11 compound treatment 0.06 0.189 0.27 0.061 0.132 0.26 0.183 0.233061435973353 0.448882660638956 0.5656 0.9666 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J12 compound treatment -0.897 -0.768 -1.09 -0.115 -0.0436 -0.09 0.0 0.050061435973353 0.096419686428495 -0.6241 -0.5679 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J13 compound treatment 0.363 0.492 0.7 -0.056 0.0154 0.03 -0.084 -0.033938564026647 -0.0653665968156513 0.3841 0.5457 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J14 compound treatment -0.134 -0.00459 -0.01 0.302 0.373 0.74 0.36 0.410061435973353 0.78978947176055 0.8779 0.8125 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J15 compound treatment -0.022 0.107 0.15 0.115 0.186 0.37 0.232 0.282061435973353 0.543257992531375 0.6144 0.9118 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J16 compound treatment -0.444 -0.315 -0.45 -0.178 -0.107 -0.21 -0.051 -9.38564026647E-4 -0.0018076998268795 -0.3808 -0.7703 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J17 compound treatment -0.281 -0.152 -0.22 -0.153 -0.0816 -0.16 -0.1 -0.049938564026647 -0.0961830317192982 -0.2729 -0.9553 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J18 compound treatment 0.063 0.192 0.27 0.033 0.104 0.21 -0.018 0.032061435973353 0.0617511971618922 0.3127 0.8982 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J19 compound treatment 0.149 0.278 0.4 0.294 0.365 0.72 0.165 0.215061435973353 0.414214171372354 0.8843 0.9597 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J20 compound treatment -0.115 0.0144 0.02 -0.167 -0.0956 -0.19 0.096 0.146061435973353 0.281318295850376 0.0653 0.1924 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J21 mock treatment 0.149 0.278 0.4 -0.018 0.0534 0.11 -0.208 -0.157938564026647 -0.304193967318915 0.1138 0.2231 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J22 mock treatment 0.262 0.391 0.56 -0.224 -0.153 -0.3 -0.368 -0.317938564026647 -0.612358316355384 -0.2062 -0.2341 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J23 compound treatment 0.022 0.151 0.22 -0.248 -0.177 -0.35 -0.525 -0.474938564026647 -0.914744583847419 -0.6051 -0.6037 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 J24 compound treatment -0.397 -0.268 -0.38 -0.483 -0.412 -0.81 -0.739 -0.688938564026647 -1.3269144006837 -1.4549 -0.9083 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K01 compound treatment -0.017 0.112 0.16 -0.215 -0.144 -0.28 -0.015 0.035061435973353 0.067529278706326 -0.0324 -0.0975 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K02 compound treatment -0.207 -0.0776 -0.11 0.25 0.321 0.63 -0.014 0.036061435973353 0.069455305887804 0.3428 0.5291 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K03 compound treatment -0.314 -0.185 -0.26 -0.234 -0.163 -0.32 -0.338 -0.287938564026647 -0.554577500911046 -0.657 -0.9489 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K04 compound treatment -0.382 -0.253 -0.36 -0.056 0.0154 0.03 0.096 0.146061435973353 0.281318295850376 -0.0273 -0.0598 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K05 compound treatment 0.088 0.217 0.31 -0.085 -0.0136 -0.03 0.031 0.081061435973353 0.156126529054311 0.2531 0.7288 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K06 compound treatment 0.425 0.554 0.79 0.255 0.326 0.64 -0.205 -0.154938564026647 -0.298415885774481 0.6549 0.6173 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K07 mock treatment -0.075 0.0544 0.08 0.086 0.157 0.31 0.215 0.265061435973353 0.51051553044625 0.5189 0.8609 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K08 mock treatment -0.194 -0.0646 -0.09 0.206 0.277 0.55 -0.273 -0.222938564026647 -0.42938573411498 0.0153 0.0219 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K09 compound treatment -0.182 -0.0526 -0.07 -0.523 -0.452 -0.89 0.123 0.173061435973353 0.333321029750281 -0.3655 -0.3828 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K10 compound treatment 0.123 0.252 0.36 0.129 0.2 0.4 -0.081 -0.030938564026647 -0.0595885152712175 0.4013 0.7465 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K11 compound treatment -0.594 -0.465 -0.66 -0.392 -0.321 -0.63 -0.02 0.030061435973353 0.0578991427989364 -0.7134 -0.7782 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K12 compound treatment -0.033 0.0964 0.14 0.157 0.228 0.45 0.069 0.119061435973353 0.229315561950472 0.472 0.9003 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K13 compound treatment -0.254 -0.125 -0.18 0.132 0.203 0.4 -0.075 -0.024938564026647 -0.0480323521823499 0.1019 0.2308 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K14 compound treatment 0.0 0.129 0.18 -0.888 -0.817 -1.61 0.042 0.092061435973353 0.177312828050568 -0.7223 -0.4424 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K15 mock treatment -0.077 0.0524 0.07 0.206 0.277 0.55 0.086 0.136061435973353 0.262058024035597 0.5106 0.8346 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K16 mock treatment 0.273 0.402 0.57 -0.078 -0.00656 -0.01 0.071 0.121061435973353 0.233167616313428 0.4575 0.7403 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K17 compound treatment 1.765 1.89 1.98 0.553 0.624 1.23 1.8 1.85006143597335 2.58378906675033 3.3448 0.9614 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K18 compound treatment -0.104 0.0254 0.04 -0.189 -0.118 -0.23 -0.295 -0.244938564026647 -0.471758332107495 -0.3855 -0.7315 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K19 compound treatment -0.061 0.0684 0.1 0.262 0.333 0.66 -0.012 0.038061435973353 0.0733073602507598 0.4786 0.7148 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K20 compound treatment -0.279 -0.15 -0.21 -0.266 -0.195 -0.38 -0.175 -0.124938564026647 -0.240635070330143 -0.4835 -0.9656 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K21 compound treatment 0.439 0.568 0.81 0.391 0.462 0.91 0.377 0.427061435973353 0.822531933845675 1.4686 0.9985 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K22 compound treatment -0.323 -0.194 -0.28 0.377 0.448 0.89 0.56 0.610061435973353 1.17499490805614 1.0307 0.6886 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K23 mock treatment -0.179 -0.0496 -0.07 -0.229 -0.158 -0.31 -0.121 -0.070938564026647 -0.136629602530335 -0.2992 -0.8622 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 K24 mock treatment -0.18 -0.0506 -0.07 -0.724 -0.653 -1.29 -0.417 -0.366938564026647 -0.706733648247802 -1.1935 -0.8111 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L01 compound treatment 0.038 0.167 0.24 -0.243 -0.172 -0.34 0.972 1.02206143597335 1.96851810682504 1.0784 0.5361 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L02 compound treatment 0.077 0.206 0.29 -0.1 -0.0286 -0.06 -0.154 -0.103938564026647 -0.200188499519106 0.0213 0.0592 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L03 compound treatment 0.0 0.129 0.18 -0.106 -0.0346 -0.07 0.133 0.183061435973353 0.35258130156506 0.2704 0.6701 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L04 compound treatment 1.064 1.19 1.65 0.458 0.529 1.05 0.561 0.611061435973353 1.17692093523761 2.2335 0.9806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L05 compound treatment -0.036 0.0934 0.13 0.107 0.178 0.35 -0.079 -0.028938564026647 -0.0557364609082616 0.2479 0.6513 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L06 compound treatment 0.159 0.288 0.41 -0.189 -0.118 -0.23 0.313 0.363061435973353 0.699266194231088 0.5064 0.6006 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L07 mock treatment 0.08 0.209 0.3 0.198 0.269 0.53 0.457 0.507061435973353 0.97661410836391 1.0429 0.9059 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L08 mock treatment -0.08 0.0494 0.07 -0.133 -0.0616 -0.12 0.042 0.092061435973353 0.177312828050568 0.0727 0.3217 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L09 compound treatment -0.159 -0.0296 -0.04 0.299 0.37 0.73 0.111 0.161061435973353 0.310208703572545 0.5771 0.7254 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L10 compound treatment 0.164 0.293 0.42 0.192 0.263 0.52 0.181 0.231061435973353 0.445030606276001 0.7981 0.9956 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L11 compound treatment 0.131 0.26 0.37 0.051 0.122 0.24 0.0 0.050061435973353 0.096419686428495 0.409 0.9037 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L12 compound treatment -0.244 -0.115 -0.16 -0.184 -0.113 -0.22 0.03 0.080061435973353 0.154200501872833 -0.1334 -0.4223 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L13 compound treatment -0.055 0.0744 0.11 0.395 0.466 0.92 0.041 0.091061435973353 0.17538680086909 0.6941 0.7356 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L14 compound treatment -0.077 0.0524 0.07 0.68 0.751 1.48 0.479 0.529061435973353 1.01898670635642 1.488 0.826 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L15 mock treatment -0.14 -0.0106 -0.02 -0.232 -0.161 -0.32 -0.155 -0.104938564026647 -0.202114526700584 -0.3084 -0.8197 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L16 mock treatment 0.289 0.418 0.59 -0.048 0.0234 0.05 0.214 0.264061435973353 0.508589503264772 0.6638 0.8467 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L17 compound treatment 0.109 0.238 0.34 -0.163 -0.0916 -0.18 -0.119 -0.068938564026647 -0.132777548167379 0.0147 0.0361 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L18 compound treatment 0.266 0.395 0.56 -0.2 -0.129 -0.25 0.111 0.161061435973353 0.310208703572545 0.3571 0.5172 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L19 compound treatment 2.034 2.16 2.07 1.646 1.72 2.6 2.658 2.70806143597335 2.93346286089948 4.3849 0.9902 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L20 compound treatment 0.179 0.308 0.44 0.603 0.674 1.33 -0.147 -0.096938564026647 -0.186706309248761 0.9142 0.6464 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L21 compound treatment 1.623 1.75 1.92 0.744 0.815 1.61 1.264 1.31406143597335 2.24749731891491 3.3372 0.991 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L22 compound treatment -0.138 -0.00859 -0.01 -0.378 -0.307 -0.61 -0.095 -0.044938564026647 -0.0865528958119085 -0.4065 -0.6647 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L23 mock treatment -0.327 -0.198 -0.28 0.205 0.276 0.55 0.068 0.118061435973353 0.227389534768994 0.2842 0.4342 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 L24 mock treatment -0.425 -0.296 -0.42 -0.133 -0.0616 -0.12 -0.062 -0.011938564026647 -0.0229939988231368 -0.3261 -0.7443 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M01 compound treatment 0.388 0.517 0.74 -0.02 0.0514 0.1 -0.248 -0.197938564026647 -0.381235054578032 0.2633 0.3154 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M02 compound treatment -0.063 0.0664 0.09 -0.455 -0.384 -0.76 0.069 0.119061435973353 0.229315561950472 -0.2503 -0.3141 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M03 compound treatment -0.103 0.0264 0.04 0.491 0.562 1.11 -0.156 -0.105938564026647 -0.204040553882062 0.545 0.4824 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M04 compound treatment 0.23 0.359 0.51 0.194 0.265 0.52 0.356 0.406061435973353 0.782085363034639 1.0492 0.9794 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M05 compound treatment -0.381 -0.252 -0.36 0.075 0.146 0.29 0.673 0.723061435973353 1.39263597956314 0.7645 0.5212 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M06 compound treatment -0.203 -0.0736 -0.1 -0.175 -0.104 -0.2 -0.205 -0.154938564026647 -0.298415885774481 -0.3508 -0.9314 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M07 compound treatment -0.146 -0.0166 -0.02 -0.323 -0.252 -0.5 -0.283 -0.232938564026647 -0.44864600592976 -0.5594 -0.8353 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M08 compound treatment -0.133 -0.00359 -0.01 -0.056 0.0154 0.03 0.038 0.088061435973353 0.169608719324656 0.1126 0.653 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M09 mock treatment 0.18 0.309 0.44 0.145 0.216 0.43 0.129 0.179061435973353 0.344877192839148 0.6998 0.9946 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M10 mock treatment 0.156 0.285 0.41 0.085 0.156 0.31 0.22 0.270061435973353 0.52014566635364 0.7129 0.9787 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M11 compound treatment 0.447 0.576 0.82 0.168 0.239 0.47 2.966 3.01606143597335 3.02570471120393 2.493 0.7864 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M12 compound treatment -0.469 -0.34 -0.48 -0.439 -0.368 -0.73 -0.549 -0.498938564026647 -0.96096923620289 -1.2526 -0.9654 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M13 mock treatment -0.045 0.0844 0.12 0.039 0.11 0.22 -0.635 -0.584938564026647 -1.12660757380999 -0.4553 -0.3946 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M14 mock treatment -0.297 -0.168 -0.24 -0.51 -0.439 -0.87 -0.16 -0.109938564026647 -0.211744662607974 -0.7598 -0.8234 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M15 compound treatment -0.672 -0.543 -0.77 -0.24 -0.169 -0.33 -0.227 -0.176938564026647 -0.340788483766996 -0.8343 -0.9202 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M16 compound treatment -0.078 0.0514 0.07 0.059 0.13 0.26 -0.084 -0.033938564026647 -0.0653665968156513 0.1532 0.5558 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M17 compound treatment 0.735 0.864 1.23 0.4 0.471 0.93 0.15 0.200061435973353 0.385323763650185 1.4695 0.9247 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M18 compound treatment -0.215 -0.0856 -0.12 -0.109 -0.0376 -0.07 -0.066 -0.015938564026647 -0.0306981075490485 -0.1308 -0.8973 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M19 compound treatment -0.143 -0.0136 -0.02 0.138 0.209 0.41 0.144 0.194061435973353 0.373767600561317 0.4434 0.795 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M20 compound treatment -0.115 0.0144 0.02 0.038 0.109 0.22 -0.317 -0.266938564026647 -0.514130930100009 -0.1602 -0.2871 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M21 compound treatment 0.103 0.232 0.33 -0.036 0.0354 0.07 0.236 0.286061435973353 0.550962101257287 0.5493 0.8499 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M22 compound treatment 0.129 0.258 0.37 0.293 0.364 0.72 0.351 0.401061435973353 0.772455227127249 1.0736 0.9604 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M23 compound treatment -0.234 -0.105 -0.15 0.174 0.245 0.48 0.082 0.132061435973353 0.254353915309685 0.3408 0.6009 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 M24 compound treatment -0.09 0.0394 0.06 -0.088 -0.0166 -0.03 0.118 0.168061435973353 0.323690893842891 0.2004 0.6069 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N01 compound treatment 0.082 0.211 0.3 0.077 0.148 0.29 0.08 0.130061435973353 0.25050186094673 0.4874 0.9969 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N02 compound treatment -0.227 -0.0976 -0.14 -0.048 0.0234 0.05 0.08 0.130061435973353 0.25050186094673 0.0912 0.3145 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N03 compound treatment 0.056 0.185 0.26 0.2 0.271 0.54 -0.217 -0.166938564026647 -0.321528211952216 0.276 0.4069 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N04 compound treatment -0.167 -0.0376 -0.05 -0.14 -0.0686 -0.14 0.0 0.050061435973353 0.096419686428495 -0.0533 -0.3056 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N05 compound treatment -0.226 -0.0966 -0.14 0.0 0.0714 0.14 -0.181 -0.130938564026647 -0.252191233419011 -0.1435 -0.4484 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N06 compound treatment 0.27 0.399 0.57 0.226 0.297 0.59 0.288 0.338061435973353 0.651115514694139 1.0429 0.9983 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N07 compound treatment 0.279 0.408 0.58 0.146 0.217 0.43 0.042 0.092061435973353 0.177312828050568 0.6855 0.9219 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N08 compound treatment -0.179 -0.0496 -0.07 -0.275 -0.204 -0.4 0.024 0.074061435973353 0.142644338783965 -0.1904 -0.4405 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N09 mock treatment 0.205 0.334 0.48 -0.196 -0.125 -0.25 0.097 0.147061435973353 0.283244323031854 0.296 0.4888 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N10 mock treatment -0.241 -0.112 -0.16 -0.155 -0.0836 -0.16 -0.227 -0.176938564026647 -0.340788483766996 -0.3836 -0.9344 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N11 compound treatment -0.468 -0.339 -0.48 -0.144 -0.0726 -0.14 -0.284 -0.233938564026647 -0.450572033111238 -0.6208 -0.92 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N12 compound treatment -0.394 -0.265 -0.38 -0.133 -0.0616 -0.12 -0.29 -0.239938564026647 -0.462128196200105 -0.5542 -0.9112 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N13 mock treatment -0.033 0.0964 0.14 0.035 0.106 0.21 0.082 0.132061435973353 0.254353915309685 0.3473 0.9721 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N14 mock treatment 0.0 0.129 0.18 -0.127 -0.0556 -0.11 0.081 0.131061435973353 0.252427888128207 0.1886 0.5697 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N15 compound treatment 0.145 0.274 0.39 0.1 0.171 0.34 0.214 0.264061435973353 0.508589503264772 0.7143 0.9854 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N16 compound treatment -0.262 -0.133 -0.19 -0.2 -0.129 -0.25 0.487 0.537061435973353 1.03439492380825 0.3418 0.316 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N17 compound treatment -0.382 -0.253 -0.36 -0.149 -0.0776 -0.15 0.092 0.142061435973353 0.273614187124465 -0.1378 -0.289 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N18 compound treatment 0.277 0.406 0.58 0.329 0.4 0.79 0.208 0.258061435973353 0.497033340175905 1.0771 0.9807 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N19 compound treatment 0.09 0.219 0.31 0.78 0.851 1.68 0.691 0.741061435973353 1.42730446882975 1.9748 0.8866 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N20 compound treatment 0.0 0.129 0.18 -0.098 -0.0266 -0.05 -0.096 -0.045938564026647 -0.0884789229933864 0.0249 0.118 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N21 compound treatment 0.224 0.353 0.5 0.418 0.489 0.97 0.35 0.400061435973353 0.770529199945771 1.2929 0.969 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N22 compound treatment 0.264 0.393 0.56 0.246 0.317 0.63 0.5 0.550061435973353 1.05943327716746 1.2965 0.9589 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N23 compound treatment 0.372 0.501 0.71 0.327 0.398 0.79 -0.089 -0.038938564026647 -0.0749967327230409 0.8225 0.7728 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 N24 compound treatment -0.227 -0.0976 -0.14 -0.032 0.0394 0.08 -0.029 0.021061435973353 0.040564898165635 -0.0117 -0.0714 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O01 compound treatment -0.843 -0.714 -1.01 -0.136 -0.0646 -0.13 -0.5 -0.449938564026647 -0.866593904310471 -1.1597 -0.8652 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O02 compound treatment -0.302 -0.173 -0.25 0.28 0.351 0.69 0.014 0.064061435973353 0.123384066969186 0.3302 0.4424 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O03 compound treatment -0.041 0.0884 0.13 0.295 0.366 0.72 0.329 0.379061435973353 0.730082629134735 0.9118 0.8805 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O04 compound treatment -0.741 -0.612 -0.87 -0.196 -0.125 -0.25 0.0 0.050061435973353 0.096419686428495 -0.5884 -0.6474 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O05 compound treatment 0.189 0.318 0.45 0.264 0.335 0.66 0.254 0.304061435973353 0.58563059052389 0.9819 0.9885 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O06 compound treatment -0.068 0.0614 0.09 -0.145 -0.0736 -0.15 0.249 0.299061435973353 0.5760004546165 0.2991 0.4982 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O07 compound treatment -0.072 0.0574 0.08 0.403 0.474 0.94 0.195 0.245061435973353 0.471994986816692 0.8605 0.8178 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O08 compound treatment 0.138 0.267 0.38 0.161 0.232 0.46 0.273 0.323061435973353 0.62222510697197 0.8437 0.9793 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O09 compound treatment 0.035 0.164 0.23 -0.203 -0.132 -0.26 -0.426 -0.375938564026647 -0.724067892881104 -0.4331 -0.5386 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O10 compound treatment -0.25 -0.121 -0.17 0.013 0.0844 0.17 0.107 0.157061435973353 0.302504594846634 0.1719 0.4458 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O11 mock treatment -0.247 -0.118 -0.17 -0.211 -0.14 -0.28 -0.026 0.024061435973353 0.0463429797100688 -0.2289 -0.7028 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O12 mock treatment -0.172 -0.0426 -0.06 0.227 0.298 0.59 -0.236 -0.185938564026647 -0.358122728400297 0.0985 0.1423 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O13 compound treatment 0.879 1.01 1.43 0.412 0.483 0.95 -0.13 -0.079938564026647 -0.153963847163636 1.29 0.746 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O14 compound treatment -0.133 -0.00359 -0.01 0.5 0.571 1.13 -0.183 -0.132938564026647 -0.256043287781967 0.5007 0.4327 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O15 compound treatment -0.538 -0.409 -0.58 -0.049 0.0224 0.04 -0.087 -0.036938564026647 -0.071144678360085 -0.3509 -0.5978 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O16 compound treatment 0.359 0.488 0.69 0.141 0.212 0.42 0.164 0.214061435973353 0.412288144190876 0.8811 0.9683 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O17 compound treatment 0.055 0.184 0.26 -0.129 -0.0576 -0.11 0.077 0.127061435973353 0.244723779402296 0.227 0.6035 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O18 compound treatment 0.014 0.143 0.2 0.088 0.159 0.31 0.216 0.266061435973353 0.512441557627728 0.5953 0.9375 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O19 compound treatment -0.656 -0.527 -0.75 -0.484 -0.413 -0.81 -0.119 -0.068938564026647 -0.132777548167379 -0.9792 -0.8788 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O20 compound treatment 0.333 0.462 0.66 0.066 0.137 0.27 -0.074 -0.023938564026647 -0.0461063250008719 0.5096 0.715 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O21 compound treatment 0.357 0.486 0.69 0.143 0.214 0.42 0.59 0.640061435973353 1.23277572350047 1.3555 0.9186 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O22 compound treatment 0.677 0.806 1.15 -0.054 0.0174 0.03 0.091 0.141061435973353 0.271688159942987 0.8387 0.7115 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O23 compound treatment -0.229 -0.0996 -0.14 0.247 0.318 0.63 -0.287 -0.236938564026647 -0.456350114655671 0.0178 0.0225 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 O24 compound treatment -0.424 -0.295 -0.42 -0.583 -0.512 -1.01 -0.319 -0.268938564026647 -0.517982984462965 -1.1241 -0.929 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P01 compound treatment -0.019 0.11 0.16 0.156 0.227 0.45 0.177 0.227061435973353 0.437326497550089 0.6024 0.9322 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P02 compound treatment 0.241 0.37 0.53 0.541 0.612 1.21 0.253 0.303061435973353 0.583704563342412 1.3392 0.9285 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P03 compound treatment 0.319 0.448 0.64 0.544 0.615 1.22 0.754 0.804061435973353 1.54864418126286 1.9638 0.9491 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P04 compound treatment 0.522 0.651 0.93 0.812 0.883 1.74 0.911 0.961061435973353 1.85103044875489 2.6105 0.9644 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P05 compound treatment -0.054 0.0754 0.11 0.094 0.165 0.33 0.113 0.163061435973353 0.314060757935501 0.4318 0.9273 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P06 compound treatment 0.039 0.168 0.24 0.163 0.234 0.46 0.259 0.309061435973353 0.595260726431279 0.7492 0.9469 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P07 compound treatment 0.1 0.229 0.33 0.241 0.312 0.62 0.042 0.092061435973353 0.177312828050568 0.6469 0.8984 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P08 compound treatment 0.358 0.487 0.69 0.103 0.174 0.34 -0.116 -0.065938564026647 -0.126999466622945 0.5256 0.6703 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P09 compound treatment 0.343 0.472 0.67 0.819 0.89 1.76 0.671 0.721061435973353 1.38878392520019 2.2047 0.9426 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P10 compound treatment -0.034 0.0954 0.14 -1.0 -0.929 -1.83 -1.205 -1.15493856402665 -2.22444306725241 -2.2645 -0.7847 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P11 mock treatment 0.056 0.185 0.26 -0.407 -0.336 -0.66 0.25 0.300061435973353 0.577926481797978 0.1033 0.1126 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P12 mock treatment -0.164 -0.0346 -0.05 -0.28 -0.209 -0.41 0.167 0.217061435973353 0.41806622573531 -0.0248 -0.0421 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P13 compound treatment 0.08 0.209 0.3 0.239 0.31 0.61 0.051 0.101061435973353 0.19464707268387 0.6382 0.9005 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P14 compound treatment 0.13 0.259 0.37 0.357 0.428 0.85 0.343 0.393061435973353 0.757047009675426 1.1384 0.9537 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P15 compound treatment 0.244 0.373 0.53 0.433 0.504 1.0 0.596 0.646061435973353 1.24433188658934 1.6 0.9524 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P16 compound treatment 0.2 0.329 0.47 0.358 0.429 0.85 0.441 0.491061435973353 0.945797673460263 1.306 0.9647 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P17 compound treatment 0.386 0.515 0.73 0.045 0.116 0.23 0.197 0.247061435973353 0.475847041179648 0.8305 0.9193 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P18 compound treatment 0.275 0.404 0.57 0.701 0.772 1.53 0.481 0.531061435973353 1.02283876071938 1.8031 0.937 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P19 compound treatment 0.468 0.597 0.85 0.582 0.653 1.29 0.406 0.456061435973353 0.878386722108535 1.7424 0.9806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P20 compound treatment 0.014 0.143 0.2 0.158 0.229 0.45 0.25 0.300061435973353 0.577926481797978 0.7129 0.9355 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P21 compound treatment 0.271 0.4 0.57 -0.227 -0.156 -0.31 -0.187 -0.136938564026647 -0.263747396507878 -9.0E-4 -0.0013 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P22 compound treatment -0.183 -0.0536 -0.08 0.319 0.39 0.77 0.13 0.180061435973353 0.346803220020626 0.6013 0.7085 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P23 compound treatment 0.075 0.204 0.29 0.309 0.38 0.75 0.127 0.177061435973353 0.341025138476192 0.7984 0.9128 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2295 P24 compound treatment 0.117 0.246 0.35 0.0 0.0714 0.14 0.075 0.125061435973353 0.24087172503934 0.4228 0.9438 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A01 compound treatment -0.057 0.0724 0.1 0.02 0.0914 0.18 -0.424 -0.373938564026647 -0.720215838518148 -0.2521 -0.3364 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A02 compound treatment 4.193 4.32 2.48 0.18 0.251 0.5 2.108 2.15806143597335 2.72910027321756 3.2932 0.8853 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A03 compound treatment -1.043 -0.914 -1.3 0.308 0.379 0.75 -0.436 -0.385938564026647 -0.743328164695883 -0.7465 -0.4461 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A04 compound treatment 0.474 0.603 0.86 0.625 0.696 1.38 0.608 0.658061435973353 1.26744421276708 2.021 0.9823 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A05 compound treatment -0.386 -0.257 -0.36 -1.167 -1.1 -2.16 -0.298 -0.247938564026647 -0.477536413651929 -1.7353 -0.7729 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A06 compound treatment -0.222 -0.0926 -0.13 -0.25 -0.179 -0.35 -0.303 -0.252938564026647 -0.487166549559318 -0.5608 -0.911 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A07 compound treatment 0.95 1.08 1.53 0.981 1.05 2.08 1.111 1.16106143597335 2.12334601073636 3.3117 0.9904 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A08 compound treatment 0.284 0.413 0.59 0.28 0.351 0.69 0.0 0.050061435973353 0.096419686428495 0.7957 0.87 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A09 compound treatment 0.0 0.129 0.18 -0.167 -0.0956 -0.19 0.074 0.124061435973353 0.238945697857862 0.1352 0.3802 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A10 compound treatment -0.098 0.0314 0.04 0.068 0.139 0.28 0.026 0.076061435973353 0.146496393146921 0.2693 0.8548 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A11 compound treatment 0.132 0.261 0.37 -0.4 -0.329 -0.65 0.476 0.526061435973353 1.01320862481199 0.425 0.3375 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A12 compound treatment -0.337 -0.208 -0.3 -0.089 -0.0176 -0.03 -0.314 -0.263938564026647 -0.508352848555576 -0.4839 -0.8218 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A13 mock treatment -0.03 0.0994 0.14 0.063 0.134 0.27 0.302 0.352061435973353 0.67807989523483 0.6263 0.8444 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A14 mock treatment -0.157 -0.0276 -0.04 -0.243 -0.172 -0.34 -0.212 -0.161938564026647 -0.311898076044827 -0.3983 -0.8619 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A15 compound treatment -0.5 -0.371 -0.53 0.356 0.427 0.84 -0.338 -0.287938564026647 -0.554577500911046 -0.1371 -0.1204 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A16 compound treatment 1.538 1.67 1.89 1.0 1.07 2.12 0.819 0.869061435973353 1.67383594805892 3.2777 0.9955 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A17 compound treatment 0.463 0.592 0.84 0.208 0.279 0.55 0.814 0.864061435973353 1.66420581215153 1.7657 0.9078 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A18 compound treatment -0.3 -0.171 -0.24 -0.107 -0.0356 -0.07 -0.066 -0.015938564026647 -0.0306981075490485 -0.1983 -0.7796 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A19 compound treatment -1.486 -1.36 -1.93 0.041 0.112 0.22 1.259 1.30906143597335 2.24368319815541 0.31 0.1045 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A20 compound treatment 0.106 0.235 0.33 -0.224 -0.153 -0.3 -0.292 -0.241938564026647 -0.465980250563061 -0.2497 -0.3854 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A21 compound treatment -0.029 0.1 0.14 0.038 0.109 0.22 0.0 0.050061435973353 0.096419686428495 0.2628 0.9511 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A22 compound treatment -0.955 -0.826 -1.17 -0.964 -0.893 -1.76 -2.099 -2.04893856402665 -3.94631136749368 -3.9736 -0.8873 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A23 compound treatment 0.676 0.805 1.15 0.792 0.863 1.7 0.718 0.768061435973353 1.47930720272965 2.4995 0.9875 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 A24 compound treatment 0.075 0.204 0.29 0.059 0.13 0.26 -0.086 -0.035938564026647 -0.0692186511786071 0.2765 0.7011 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B01 compound treatment -0.1 0.0294 0.04 -0.123 -0.0516 -0.1 -0.117 -0.066938564026647 -0.128925493804423 -0.1091 -0.6434 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B02 compound treatment -0.175 -0.0456 -0.06 -0.143 -0.0716 -0.14 -0.192 -0.141938564026647 -0.273377532415268 -0.2768 -0.8803 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B03 compound treatment 0.109 0.238 0.34 -0.047 0.0244 0.05 0.247 0.297061435973353 0.572148400253544 0.5539 0.8307 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B04 compound treatment -0.205 -0.0756 -0.11 0.176 0.247 0.49 0.053 0.103061435973353 0.198499127046825 0.3346 0.6218 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B05 compound treatment -0.395 -0.266 -0.38 -0.354 -0.283 -0.56 0.108 0.158061435973353 0.304430622028112 -0.3644 -0.4929 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B06 compound treatment 0.258 0.387 0.55 0.12 0.191 0.38 0.246 0.296061435973353 0.570222373072066 0.8655 0.9854 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B07 compound treatment 0.493 0.622 0.88 0.5 0.571 1.13 0.89 0.940061435973353 1.81058387794385 2.2077 0.9559 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B08 compound treatment -0.429 -0.3 -0.43 -0.113 -0.0416 -0.08 -0.031 0.019061435973353 0.0367128438026791 -0.2721 -0.6251 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B09 compound treatment 0.31 0.439 0.62 -0.019 0.0524 0.1 0.051 0.101061435973353 0.19464707268387 0.5329 0.8043 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B10 compound treatment 0.083 0.212 0.3 -0.983 -0.912 -1.8 -0.68 -0.629938564026647 -1.2132787969765 -1.5653 -0.7142 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B11 compound treatment 0.447 0.576 0.82 -0.38 -0.309 -0.61 0.688 0.738061435973353 1.42152638728531 0.9421 0.5383 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B12 compound treatment 0.015 0.144 0.21 -0.889 -0.818 -1.61 -1.058 -1.00793856402665 -1.94131707157516 -1.9343 -0.7636 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B13 mock treatment -0.102 0.0274 0.04 -0.175 -0.104 -0.2 -0.115 -0.064938564026647 -0.125073439441467 -0.1678 -0.6908 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B14 mock treatment -0.065 0.0644 0.09 -0.111 -0.0396 -0.08 0.151 0.201061435973353 0.387249790831663 0.2313 0.5705 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B15 compound treatment 0.043 0.172 0.25 -0.149 -0.0776 -0.15 -0.181 -0.130938564026647 -0.252191233419011 -0.0925 -0.2411 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B16 compound treatment -0.5 -0.371 -0.53 -0.06 0.0114 0.02 -0.392 -0.341938564026647 -0.658582968710854 -0.6714 -0.7958 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B17 compound treatment 2.769 2.9 2.25 -0.167 -0.0956 -0.19 0.392 0.442061435973353 0.851422341567844 1.6833 0.6968 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B18 compound treatment -0.049 0.0804 0.11 -0.032 0.0394 0.08 -0.143 -0.092938564026647 -0.179002200522849 0.0076 0.0337 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B19 compound treatment -0.358 -0.229 -0.33 -0.16 -0.0886 -0.17 -0.278 -0.227938564026647 -0.43901587002237 -0.5421 -0.9451 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B20 compound treatment 0.092 0.221 0.31 0.056 0.127 0.25 -0.167 -0.116938564026647 -0.22522685287832 0.197 0.4267 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B21 compound treatment 0.558 0.687 0.98 0.386 0.457 0.9 0.56 0.610061435973353 1.17499490805614 1.7641 0.9937 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B22 compound treatment -0.181 -0.0516 -0.07 -0.033 0.0384 0.08 0.156 0.206061435973353 0.396879926739052 0.2306 0.5615 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B23 compound treatment -0.284 -0.155 -0.22 0.103 0.174 0.34 -0.481 -0.430938564026647 -0.82999938786239 -0.4072 -0.4402 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 B24 compound treatment 0.258 0.387 0.55 0.525 0.596 1.18 0.632 0.682061435973353 1.31366886512255 1.7564 0.9503 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C01 compound treatment -0.339 -0.21 -0.3 -0.136 -0.0646 -0.13 -0.016 0.034061435973353 0.0656032515248481 -0.2078 -0.6283 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C02 compound treatment 0.052 0.181 0.26 -0.718 -0.647 -1.28 0.029 0.079061435973353 0.152274474691355 -0.5002 -0.3815 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C03 compound treatment -0.031 0.0984 0.14 -0.215 -0.144 -0.28 0.203 0.253061435973353 0.487403204268515 0.1985 0.3417 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C04 compound treatment -0.25 -0.121 -0.17 -0.113 -0.0416 -0.08 -0.044 0.006061435973353 0.011674490443466 -0.1396 -0.7332 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C05 compound treatment 0.526 0.655 0.93 0.476 0.547 1.08 0.061 0.111061435973353 0.213907344498649 1.2856 0.8909 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C06 compound treatment 0.271 0.4 0.57 0.119 0.19 0.38 -0.106 -0.055938564026647 -0.107739194808166 0.4836 0.7001 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C07 compound treatment 0.333 0.462 0.66 -0.637 -0.566 -1.12 0.297 0.347061435973353 0.668449759327441 0.1208 0.0828 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C08 compound treatment -0.559 -0.43 -0.61 -0.197 -0.126 -0.25 -0.056 -0.005938564026647 -0.0114378357342692 -0.5024 -0.762 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C09 compound treatment -0.041 0.0884 0.13 -0.194 -0.123 -0.24 0.364 0.414061435973353 0.797493580486462 0.3933 0.4666 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C10 compound treatment -0.219 -0.0896 -0.13 0.035 0.106 0.21 -0.183 -0.132938564026647 -0.256043287781967 -0.1 -0.2819 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C11 mock treatment -0.424 -0.295 -0.42 -0.379 -0.308 -0.61 -0.254 -0.203938564026647 -0.3927912176669 -0.8192 -0.9802 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C12 mock treatment -0.129 4.09E-4 0.0 0.014 0.0854 0.17 -0.32 -0.269938564026647 -0.519909011644443 -0.2024 -0.3704 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C13 compound treatment -0.161 -0.0316 -0.04 0.0 0.0714 0.14 -0.143 -0.092938564026647 -0.179002200522849 -0.0478 -0.206 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C14 compound treatment -0.172 -0.0426 -0.06 0.674 0.745 1.47 -0.103 -0.052938564026647 -0.101961113263732 0.756 0.5119 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C15 mock treatment -0.452 -0.323 -0.46 -0.015 0.0564 0.11 -0.176 -0.125938564026647 -0.242561097511621 -0.3405 -0.6416 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C16 mock treatment 0.226 0.355 0.51 0.031 0.102 0.2 0.0 0.050061435973353 0.096419686428495 0.4642 0.8398 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C17 compound treatment -0.259 -0.13 -0.18 -0.079 -0.00756 -0.01 0.27 0.320061435973353 0.616447025427537 0.2409 0.3743 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C18 compound treatment 0.277 0.406 0.58 0.175 0.246 0.49 0.002 0.052061435973353 0.100271740791451 0.6724 0.8824 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C19 compound treatment 0.789 0.918 1.31 -0.22 -0.149 -0.29 0.146 0.196061435973353 0.377619654924273 0.8025 0.5771 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C20 compound treatment -0.188 -0.0586 -0.08 -0.158 -0.0866 -0.17 -0.235 -0.184938564026647 -0.356196701218819 -0.3524 -0.8728 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C21 compound treatment 0.066 0.195 0.28 -0.19 -0.119 -0.23 0.264 0.314061435973353 0.604890862338669 0.3745 0.5307 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C22 compound treatment 0.089 0.218 0.31 0.221 0.292 0.58 -0.232 -0.181938564026647 -0.350418619674385 0.3103 0.4175 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C23 compound treatment -0.24 -0.111 -0.16 -0.614 -0.543 -1.07 -0.653 -0.602938564026647 -1.16127606307659 -1.3798 -0.869 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 C24 compound treatment 0.73 0.859 1.22 -0.346 -0.275 -0.54 0.299 0.349061435973353 0.672301813690397 0.7806 0.5217 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D01 compound treatment 0.25 0.379 0.54 0.111 0.182 0.36 0.079 0.129061435973353 0.248575833765252 0.6629 0.9543 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D02 compound treatment 0.182 0.311 0.44 0.178 0.249 0.49 0.066 0.116061435973353 0.223537480406039 0.669 0.9572 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D03 compound treatment -0.022 0.107 0.15 -0.274 -0.203 -0.4 -0.232 -0.181938564026647 -0.350418619674385 -0.3451 -0.6237 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D04 compound treatment -0.447 -0.318 -0.45 -0.072 -5.62E-4 0.0 -0.153 -0.102938564026647 -0.198262472337629 -0.3758 -0.762 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D05 compound treatment 0.13 0.259 0.37 0.391 0.462 0.91 0.459 0.509061435973353 0.980466162726866 1.3062 0.94 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D06 compound treatment 0.174 0.303 0.43 -0.64 -0.569 -1.12 0.486 0.536061435973353 1.03246889662677 0.197 0.1243 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D07 compound treatment -0.246 -0.117 -0.17 0.108 0.179 0.35 0.432 0.482061435973353 0.928463428826962 0.6449 0.6401 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D08 compound treatment 0.061 0.19 0.27 -0.036 0.0354 0.07 -0.015 0.035061435973353 0.067529278706326 0.2357 0.8193 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D09 compound treatment 0.197 0.326 0.46 0.688 0.759 1.5 0.841 0.891061435973353 1.71620854605144 2.1245 0.9135 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D10 compound treatment 0.317 0.446 0.63 -0.139 -0.0676 -0.13 0.027 0.077061435973353 0.148422420328399 0.3751 0.5638 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D11 mock treatment -0.173 -0.0436 -0.06 -0.012 0.0594 0.12 -0.075 -0.024938564026647 -0.0480323521823499 0.0042 0.0301 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D12 mock treatment -0.088 0.0414 0.06 0.0 0.0714 0.14 -0.391 -0.340938564026647 -0.656656941529376 -0.2637 -0.3911 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D13 compound treatment 0.347 0.476 0.68 -0.041 0.0304 0.06 0.278 0.328061435973353 0.63185524287936 0.7906 0.8517 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D14 compound treatment 0.25 0.379 0.54 0.231 0.302 0.6 0.356 0.406061435973353 0.782085363034639 1.1078 0.9872 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D15 mock treatment -0.074 0.0554 0.08 0.0 0.0714 0.14 -0.333 -0.282938564026647 -0.544947365003656 -0.1877 -0.3302 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D16 mock treatment -0.347 -0.218 -0.31 -0.2 -0.129 -0.25 -0.136 -0.085938564026647 -0.165520010252504 -0.4207 -0.9715 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D17 compound treatment -1.13 -1.0 -1.42 -0.721 -0.65 -1.28 -0.516 -0.465938564026647 -0.897410339214118 -2.08 -0.9833 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D18 compound treatment 0.1 0.229 0.33 0.013 0.0844 0.17 0.014 0.064061435973353 0.123384066969186 0.3558 0.9205 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D19 compound treatment -1.699 -1.57 -2.23 -1.307 -1.24 -2.44 -1.167 -1.11693856402665 -2.15125403435625 -3.939 -0.9986 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D20 compound treatment 0.179 0.308 0.44 -0.246 -0.175 -0.34 0.453 0.503061435973353 0.968909999637998 0.6136 0.5488 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D21 compound treatment 1.758 1.89 1.97 2.278 2.35 2.9 1.511 1.56106143597335 2.41861309645925 4.2079 0.9882 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D22 compound treatment -0.051 0.0784 0.11 -0.398 -0.327 -0.64 -0.478 -0.427938564026647 -0.824221306317956 -0.7838 -0.7448 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D23 compound treatment 0.725 0.854 1.21 -0.013 0.0584 0.12 0.013 0.063061435973353 0.121458039787708 0.8381 0.6834 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 D24 compound treatment 0.344 0.473 0.67 -0.346 -0.275 -0.54 -0.324 -0.273938564026647 -0.527613120370355 -0.229 -0.2262 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E01 mock treatment 0.031 0.16 0.23 -0.02 0.0514 0.1 0.154 0.204061435973353 0.393027872376096 0.4172 0.8961 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E02 mock treatment -0.231 -0.102 -0.14 -0.357 -0.286 -0.56 -0.229 -0.178938564026647 -0.344640538129951 -0.6079 -0.8987 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E03 compound treatment -0.507 -0.378 -0.54 0.122 0.193 0.38 -0.147 -0.096938564026647 -0.186706309248761 -0.1972 -0.288 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E04 compound treatment 0.04 0.169 0.24 0.017 0.0884 0.17 -0.744 -0.693938564026647 -1.33654453659109 -0.5318 -0.3884 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E05 compound treatment -0.406 -0.277 -0.39 -0.217 -0.146 -0.29 -0.22 -0.169938564026647 -0.32730629349665 -0.582 -0.9917 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E06 compound treatment -0.062 0.0674 0.1 0.273 0.344 0.68 0.623 0.673061435973353 1.29633462048925 1.1964 0.8155 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E07 compound treatment 0.029 0.158 0.23 -0.13 -0.0586 -0.12 -0.37 -0.319938564026647 -0.61621037071834 -0.2925 -0.4391 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E08 compound treatment -0.317 -0.188 -0.27 -0.141 -0.0696 -0.14 -0.5 -0.449938564026647 -0.866593904310471 -0.7336 -0.8 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E09 mock treatment -0.071 0.0584 0.08 -0.125 -0.0536 -0.11 0.15 0.200061435973353 0.385323763650185 0.2094 0.513 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E10 mock treatment -0.096 0.0334 0.05 -0.132 -0.0606 -0.12 -0.154 -0.103938564026647 -0.200188499519106 -0.1572 -0.6606 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E11 compound treatment 0.01 0.139 0.2 0.233 0.304 0.6 -0.173 -0.122938564026647 -0.236783015967187 0.3248 0.4806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E12 compound treatment 0.076 0.205 0.29 -0.028 0.0434 0.09 0.206 0.256061435973353 0.493181285812949 0.5029 0.8677 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E13 compound treatment 0.077 0.206 0.29 0.154 0.225 0.45 0.283 0.333061435973353 0.64148537878675 0.7968 0.9552 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E14 compound treatment 0.016 0.145 0.21 0.281 0.352 0.7 -0.051 -9.38564026647E-4 -0.0018076998268795 0.5201 0.7164 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E15 compound treatment -0.254 -0.125 -0.18 -0.325 -0.254 -0.5 -0.095 -0.044938564026647 -0.0865528958119085 -0.4413 -0.8201 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E16 compound treatment -0.539 -0.41 -0.58 0.923 0.994 1.96 0.811 0.861061435973353 1.6584277306071 1.7549 0.6659 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E17 mock treatment -0.857 -0.728 -1.03 -0.548 -0.477 -0.94 -0.395 -0.344938564026647 -0.664361050255288 -1.5241 -0.9844 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E18 mock treatment -0.485 -0.356 -0.51 -0.143 -0.0716 -0.14 -0.198 -0.147938564026647 -0.284933695504136 -0.538 -0.9007 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E19 compound treatment 0.014 0.143 0.2 -0.192 -0.121 -0.24 0.083 0.133061435973353 0.256279942491163 0.1282 0.3167 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E20 compound treatment 0.891 1.02 1.45 0.215 0.286 0.57 1.141 1.19106143597335 2.14896610197987 2.4049 0.9062 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E21 compound treatment -0.101 0.0284 0.04 0.182 0.253 0.5 -0.086 -0.035938564026647 -0.0692186511786071 0.2723 0.5372 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E22 compound treatment -0.289 -0.16 -0.23 -0.179 -0.108 -0.21 -0.169 -0.118938564026647 -0.229078907241275 -0.3859 -0.9994 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E23 compound treatment -0.105 0.0244 0.03 0.875 0.946 1.87 0.375 0.425061435973353 0.818679879482719 1.5716 0.7702 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 E24 compound treatment 0.187 0.316 0.45 -0.31 -0.239 -0.47 -0.254 -0.203938564026647 -0.3927912176669 -0.239 -0.3142 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F01 mock treatment -0.194 -0.0646 -0.09 -0.138 -0.0666 -0.13 -0.25 -0.199938564026647 -0.385087108940988 -0.3512 -0.842 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F02 mock treatment 0.033 0.162 0.23 0.033 0.104 0.21 -0.181 -0.130938564026647 -0.252191233419011 0.1068 0.2674 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F03 compound treatment 0.197 0.326 0.46 0.361 0.432 0.85 0.264 0.314061435973353 0.604890862338669 1.1101 0.9698 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F04 compound treatment 2.088 2.22 2.08 0.094 0.165 0.33 0.556 0.606061435973353 1.16729079933023 2.065 0.8569 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F05 compound treatment -0.333 -0.204 -0.29 -0.046 0.0254 0.05 0.066 0.116061435973353 0.223537480406039 -0.0091 -0.0245 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F06 compound treatment -0.297 -0.168 -0.24 -0.175 -0.104 -0.2 -0.203 -0.152938564026647 -0.294563831411525 -0.4257 -0.9888 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F07 compound treatment 1.448 1.58 1.85 1.449 1.52 2.47 1.892 1.94206143597335 2.63009673676465 4.0136 0.9895 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F08 compound treatment -0.629 -0.5 -0.71 -0.865 -0.794 -1.57 -1.385 -1.33493856402665 -2.57112795991844 -2.7992 -0.9048 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F09 mock treatment 0.08 0.209 0.3 0.017 0.0884 0.17 -0.143 -0.092938564026647 -0.179002200522849 0.1694 0.4356 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F10 mock treatment 0.117 0.246 0.35 -0.441 -0.37 -0.73 -0.474 -0.423938564026647 -0.816517197592045 -0.6904 -0.6005 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F11 compound treatment 0.282 0.411 0.58 0.182 0.253 0.5 -0.023 0.027061435973353 0.0521210612545026 0.6567 0.8512 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F12 compound treatment 0.063 0.192 0.27 -0.048 0.0234 0.05 0.099 0.149061435973353 0.28709637739481 0.3504 0.8777 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F13 compound treatment -0.262 -0.133 -0.19 -0.214 -0.143 -0.28 -0.095 -0.044938564026647 -0.0865528958119085 -0.3213 -0.919 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F14 compound treatment -0.097 0.0324 0.05 0.017 0.0884 0.17 -0.129 -0.078938564026647 -0.152037819982158 0.0396 0.1679 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F15 compound treatment -0.449 -0.32 -0.45 0.082 0.153 0.3 0.056 0.106061435973353 0.204277208591259 0.0305 0.0523 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F16 compound treatment -0.014 0.115 0.16 -0.27 -0.199 -0.39 0.071 0.121061435973353 0.233167616313428 0.003 0.0062 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F17 mock treatment -0.439 -0.31 -0.44 -0.082 -0.0106 -0.02 -0.275 -0.224938564026647 -0.433237788477936 -0.5163 -0.8355 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F18 mock treatment -0.125 0.00441 0.01 -0.184 -0.113 -0.22 -0.307 -0.256938564026647 -0.49487065828523 -0.4104 -0.7565 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F19 compound treatment -0.247 -0.118 -0.17 -0.365 -0.294 -0.58 -0.397 -0.346938564026647 -0.668213104618244 -0.817 -0.9075 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F20 compound treatment -0.333 -0.204 -0.29 -0.466 -0.395 -0.78 -0.143 -0.092938564026647 -0.179002200522849 -0.7203 -0.8472 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F21 compound treatment -0.343 -0.214 -0.3 -0.263 -0.192 -0.38 -0.377 -0.326938564026647 -0.629692560988685 -0.7573 -0.9527 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F22 compound treatment -0.084 0.0454 0.06 -0.317 -0.246 -0.48 -0.225 -0.174938564026647 -0.33693642940404 -0.4372 -0.7361 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F23 compound treatment -0.687 -0.558 -0.79 -0.203 -0.132 -0.26 -0.372 -0.321938564026647 -0.620062425081296 -0.9657 -0.929 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 F24 compound treatment -0.062 0.0674 0.1 -0.159 -0.0876 -0.17 -0.444 -0.393938564026647 -0.758736382147707 -0.4825 -0.6154 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G01 compound treatment -0.053 0.0764 0.11 0.106 0.177 0.35 0.154 0.204061435973353 0.393027872376096 0.4919 0.915 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G02 compound treatment -0.382 -0.253 -0.36 -0.231 -0.16 -0.32 -0.353 -0.302938564026647 -0.583467908633215 -0.7261 -0.9629 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G03 mock treatment -0.241 -0.112 -0.16 0.092 0.163 0.32 -0.03 0.020061435973353 0.0386388709841571 0.117 0.3236 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G04 mock treatment -0.616 -0.487 -0.69 -0.185 -0.114 -0.22 -0.231 -0.180938564026647 -0.348492592492907 -0.7301 -0.9053 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G05 compound treatment 0.19 0.319 0.45 0.328 0.399 0.79 0.238 0.288061435973353 0.554814155620243 1.0379 0.9737 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G06 compound treatment -0.183 -0.0536 -0.08 -0.589 -0.518 -1.02 -0.686 -0.635938564026647 -1.22483496006537 -1.3412 -0.8398 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G07 compound treatment 0.306 0.435 0.62 -0.192 -0.121 -0.24 0.086 0.136061435973353 0.262058024035597 0.3713 0.5206 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G08 compound treatment 0.261 0.39 0.56 -0.171 -0.0996 -0.2 -0.148 -0.097938564026647 -0.188632336430239 0.0981 0.1586 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G09 compound treatment -0.328 -0.199 -0.28 -0.314 -0.243 -0.48 -0.338 -0.287938564026647 -0.554577500911046 -0.7597 -0.9674 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G10 compound treatment 0.091 0.22 0.31 0.727 0.798 1.58 0.159 0.209061435973353 0.402658008283486 1.3236 0.7988 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G11 compound treatment 0.197 0.326 0.46 0.098 0.169 0.33 -0.393 -0.342938564026647 -0.660508995892332 0.0797 0.0913 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G12 compound treatment -0.433 -0.304 -0.43 0.235 0.306 0.61 -0.295 -0.244938564026647 -0.471758332107495 -0.1722 -0.1957 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G13 compound treatment 0.241 0.37 0.53 0.324 0.395 0.78 0.375 0.425061435973353 0.818679879482719 1.2275 0.9837 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G14 compound treatment 0.214 0.343 0.49 0.25 0.321 0.63 0.214 0.264061435973353 0.508589503264772 0.942 0.993 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G15 compound treatment -0.22 -0.0906 -0.13 -0.108 -0.0366 -0.07 -0.212 -0.161938564026647 -0.311898076044827 -0.2961 -0.8581 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G16 compound treatment 0.722 0.851 1.21 0.176 0.247 0.49 0.292 0.342061435973353 0.658819623420051 1.3613 0.931 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G17 compound treatment 0.274 0.403 0.57 -0.137 -0.0656 -0.13 0.016 0.066061435973353 0.127236121332142 0.3299 0.5483 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G18 compound treatment 0.324 0.453 0.64 0.25 0.321 0.63 0.347 0.397061435973353 0.764751118401337 1.1802 0.9963 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G19 mock treatment 0.23 0.359 0.51 -0.392 -0.321 -0.63 0.064 0.114061435973353 0.219685426043083 0.0564 0.067 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G20 mock treatment -0.091 0.0384 0.05 -0.052 0.0194 0.04 -0.029 0.021061435973353 0.040564898165635 0.0771 0.9872 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G21 compound treatment -0.048 0.0814 0.12 0.25 0.321 0.63 0.178 0.228061435973353 0.439252524731567 0.6869 0.88 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G22 compound treatment -0.145 -0.0156 -0.02 0.182 0.253 0.5 -0.236 -0.185938564026647 -0.358122728400297 0.0694 0.1126 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G23 compound treatment -0.455 -0.326 -0.46 -0.685 -0.614 -1.21 -0.233 -0.182938564026647 -0.352344646855863 -1.1701 -0.8707 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 G24 compound treatment -0.143 -0.0136 -0.02 -0.541 -0.47 -0.93 -0.514 -0.463938564026647 -0.893558284851162 -1.0623 -0.8249 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H01 compound treatment -0.104 0.0254 0.04 -0.043 0.0284 0.06 0.222 0.272061435973353 0.523997720716596 0.3558 0.6736 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H02 compound treatment 0.167 0.296 0.42 0.066 0.137 0.27 0.016 0.066061435973353 0.127236121332142 0.4734 0.9155 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H03 mock treatment -0.239 -0.11 -0.16 -0.04 0.0314 0.06 -0.218 -0.167938564026647 -0.323454239133694 -0.2409 -0.6611 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H04 mock treatment -0.306 -0.177 -0.25 -0.171 -0.0996 -0.2 -0.227 -0.176938564026647 -0.340788483766996 -0.4552 -0.9754 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H05 compound treatment 0.608 0.737 1.05 0.351 0.422 0.83 0.548 0.598061435973353 1.1518825818784 1.7519 0.9915 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H06 compound treatment 0.354 0.483 0.69 -0.14 -0.0686 -0.14 0.152 0.202061435973353 0.389175818013141 0.5433 0.678 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H07 compound treatment 0.088 0.217 0.31 0.672 0.743 1.47 0.104 0.154061435973353 0.2967265133022 1.1973 0.783 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H08 compound treatment 0.329 0.458 0.65 1.033 1.1 2.15 0.8 0.850061435973353 1.63724143161084 2.561 0.9221 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H09 compound treatment -0.732 -0.603 -0.86 -0.337 -0.266 -0.52 -0.28 -0.229938564026647 -0.442867924385326 -1.0531 -0.9593 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H10 compound treatment -0.367 -0.238 -0.34 -0.141 -0.0696 -0.14 -0.246 -0.195938564026647 -0.377383000215076 -0.4922 -0.9379 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H11 compound treatment 0.077 0.206 0.29 0.556 0.627 1.24 -0.066 -0.015938564026647 -0.0306981075490485 0.867 0.6808 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H12 compound treatment -0.222 -0.0926 -0.13 -0.171 -0.0996 -0.2 -0.212 -0.161938564026647 -0.311898076044827 -0.3696 -0.9441 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H13 compound treatment 0.2 0.329 0.47 0.11 0.181 0.36 -0.086 -0.035938564026647 -0.0692186511786071 0.4373 0.7365 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H14 compound treatment -0.19 -0.0606 -0.09 0.304 0.375 0.74 -0.016 0.034061435973353 0.0656032515248481 0.4161 0.5555 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H15 compound treatment -0.125 0.00441 0.01 -0.137 -0.0656 -0.13 -0.093 -0.042938564026647 -0.0827008414489526 -0.1189 -0.7732 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H16 compound treatment -1.569 -1.44 -2.05 -1.658 -1.59 -3.13 -1.274 -1.22393856402665 -2.35733894277439 -4.3514 -0.9839 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H17 compound treatment 0.453 0.582 0.83 0.049 0.12 0.24 0.403 0.453061435973353 0.872608640564102 1.1192 0.9127 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H18 compound treatment 0.309 0.438 0.62 -0.304 -0.233 -0.46 -0.123 -0.072938564026647 -0.140481656893291 0.0136 0.0173 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H19 mock treatment -0.081 0.0484 0.07 -0.387 -0.316 -0.62 -0.143 -0.092938564026647 -0.179002200522849 -0.4233 -0.6494 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H20 mock treatment 0.017 0.146 0.21 -0.206 -0.135 -0.27 -0.38 -0.329938564026647 -0.635470642533119 -0.4001 -0.5561 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H21 compound treatment -0.552 -0.423 -0.6 -0.573 -0.502 -0.99 -0.263 -0.212938564026647 -0.410125462300201 -1.1555 -0.9403 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H22 compound treatment 0.0 0.129 0.18 -0.607 -0.536 -1.06 -0.371 -0.320938564026647 -0.618136397899818 -0.8612 -0.6953 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H23 compound treatment 0.135 0.264 0.38 -0.349 -0.278 -0.55 0.535 0.585061435973353 1.12684422851919 0.5512 0.4213 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 H24 compound treatment -0.271 -0.142 -0.2 -0.205 -0.134 -0.26 -0.197 -0.146938564026647 -0.283007668322658 -0.4319 -0.9904 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I01 compound treatment 0.409 0.538 0.77 0.056 0.127 0.25 -0.063 -0.012938564026647 -0.0249200260046147 0.5729 0.7106 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I02 compound treatment -0.273 -0.144 -0.2 0.017 0.0884 0.17 0.247 0.297061435973353 0.572148400253544 0.3133 0.4956 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I03 compound treatment -0.209 -0.0796 -0.11 -0.316 -0.245 -0.48 -0.118 -0.067938564026647 -0.130851520985901 -0.4197 -0.8182 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I04 compound treatment 0.451 0.58 0.83 0.774 0.845 1.67 0.397 0.447061435973353 0.861052477475234 1.9374 0.9443 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I05 mock treatment -0.189 -0.0596 -0.08 -0.262 -0.191 -0.38 -0.112 -0.061938564026647 -0.119295357897033 -0.335 -0.8299 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I06 mock treatment -0.267 -0.138 -0.2 -0.193 -0.122 -0.24 -0.047 0.003061435973353 0.00589640889903222 -0.2481 -0.8011 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I07 compound treatment 0.0 0.129 0.18 -0.077 -0.00556 -0.01 0.63 0.680061435973353 1.30981681075959 0.8561 0.6472 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I08 compound treatment -0.258 -0.129 -0.18 0.043 0.114 0.23 0.014 0.064061435973353 0.123384066969186 0.0961 0.3045 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I09 compound treatment 0.092 0.221 0.31 0.091 0.162 0.32 -0.074 -0.023938564026647 -0.0461063250008719 0.3403 0.7533 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I10 compound treatment -0.103 0.0264 0.04 -0.255 -0.184 -0.36 -0.123 -0.072938564026647 -0.140481656893291 -0.2687 -0.688 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I11 compound treatment -0.122 0.00741 0.01 -0.211 -0.14 -0.28 -0.075 -0.024938564026647 -0.0480323521823499 -0.1807 -0.6457 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I12 compound treatment -0.658 -0.529 -0.75 0.033 0.104 0.21 -0.358 -0.307938564026647 -0.593098044540605 -0.6573 -0.6711 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I13 compound treatment -0.067 0.0624 0.09 0.136 0.207 0.41 0.219 0.269061435973353 0.518219639172162 0.5869 0.8806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I14 compound treatment -0.062 0.0674 0.1 -0.3 -0.229 -0.45 0.041 0.091061435973353 0.17538680086909 -0.104 -0.2106 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I15 compound treatment -0.273 -0.144 -0.2 -0.198 -0.127 -0.25 0.012 0.062061435973353 0.11953201260623 -0.1931 -0.5613 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I16 compound treatment 0.373 0.502 0.71 0.442 0.513 1.01 0.338 0.388061435973353 0.747416873768036 1.4292 0.9871 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I17 compound treatment -0.06 0.0694 0.1 0.088 0.159 0.31 0.299 0.349061435973353 0.672301813690397 0.6269 0.8371 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I18 compound treatment -0.39 -0.261 -0.37 0.0 0.0714 0.14 0.058 0.108061435973353 0.208129262954215 -0.0123 -0.0275 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I19 compound treatment -0.267 -0.138 -0.2 0.086 0.157 0.31 -0.014 0.036061435973353 0.069455305887804 0.1066 0.2853 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I20 compound treatment 1.068 1.2 1.65 0.66 0.731 1.44 1.056 1.10606143597335 2.07460040915361 2.9835 0.9886 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I21 mock treatment 0.029 0.158 0.23 -0.109 -0.0376 -0.07 0.0 0.050061435973353 0.096419686428495 0.1429 0.5582 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I22 mock treatment -0.337 -0.208 -0.3 -0.255 -0.184 -0.36 -0.443 -0.392938564026647 -0.756810354966229 -0.8166 -0.918 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I23 compound treatment 0.011 0.14 0.2 0.167 0.238 0.47 0.298 0.348061435973353 0.670375786508919 0.7741 0.9181 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 I24 compound treatment -0.547 -0.418 -0.59 -0.217 -0.146 -0.29 -0.706 -0.655938564026647 -1.26335550369492 -1.2381 -0.8687 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J01 compound treatment -0.259 -0.13 -0.18 -0.281 -0.21 -0.41 -0.032 0.018061435973353 0.0347868166212012 -0.3252 -0.7158 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J02 compound treatment 0.083 0.212 0.3 -0.048 0.0234 0.05 -0.072 -0.021938564026647 -0.0422542706379161 0.1767 0.5728 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J03 compound treatment -0.361 -0.232 -0.33 -0.339 -0.268 -0.53 -0.028 0.022061435973353 0.0424909253471129 -0.4706 -0.7542 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J04 compound treatment 0.922 1.05 1.49 -0.034 0.0374 0.07 0.188 0.238061435973353 0.458512796546346 1.1705 0.7477 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J05 mock treatment -0.345 -0.216 -0.31 -0.31 -0.239 -0.47 0.132 0.182061435973353 0.350655274383582 -0.2465 -0.3721 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J06 mock treatment -0.533 -0.404 -0.57 1.94 2.01 2.75 -0.593 -0.542938564026647 -1.04571443218792 0.6522 0.2176 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J07 compound treatment 0.422 0.551 0.78 0.509 0.58 1.15 0.508 0.558061435973353 1.07484149461928 1.7349 0.988 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J08 compound treatment -0.262 -0.133 -0.19 -0.032 0.0394 0.08 0.268 0.318061435973353 0.612594971064581 0.2898 0.4488 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J09 compound treatment 0.217 0.346 0.49 0.136 0.207 0.41 0.429 0.479061435973353 0.922685347282528 1.0535 0.9379 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J10 compound treatment -0.76 -0.631 -0.9 -0.262 -0.191 -0.38 -0.233 -0.182938564026647 -0.352344646855863 -0.9383 -0.9073 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J11 compound treatment 1.453 1.58 1.85 1.159 1.23 2.26 1.333 1.38306143597335 2.29860878376912 3.6991 0.9955 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J12 compound treatment -0.031 0.0984 0.14 -0.213 -0.142 -0.28 0.0 0.050061435973353 0.096419686428495 -0.0249 -0.0762 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J13 compound treatment 0.281 0.41 0.58 1.046 1.12 2.16 0.734 0.784061435973353 1.5101236376333 2.4551 0.9099 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J14 compound treatment -0.2 -0.0706 -0.1 0.095 0.166 0.33 0.03 0.080061435973353 0.154200501872833 0.2208 0.5863 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J15 compound treatment -0.484 -0.355 -0.5 -0.215 -0.144 -0.28 0.0 0.050061435973353 0.096419686428495 -0.3991 -0.6806 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J16 compound treatment 0.231 0.36 0.51 0.069 0.14 0.28 0.188 0.238061435973353 0.458512796546346 0.7207 0.972 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J17 compound treatment 0.593 0.722 1.03 0.161 0.232 0.46 0.53 0.580061435973353 1.1172140926118 1.503 0.948 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J18 compound treatment 1.655 1.78 1.94 0.738 0.809 1.6 1.712 1.76206143597335 2.53685992986686 3.5047 0.9821 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J19 compound treatment -0.23 -0.101 -0.14 -0.17 -0.0986 -0.19 -0.281 -0.230938564026647 -0.444793951566804 -0.4517 -0.8925 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J20 compound treatment -0.262 -0.133 -0.19 0.019 0.0904 0.18 0.183 0.233061435973353 0.448882660638956 0.2534 0.4887 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J21 mock treatment 0.097 0.226 0.32 -0.186 -0.115 -0.23 -0.09 -0.039938564026647 -0.0769227599045188 0.0108 0.027 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J22 mock treatment -0.029 0.1 0.14 -0.098 -0.0266 -0.05 -0.644 -0.593938564026647 -1.14394181844329 -0.6083 -0.5271 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J23 compound treatment 0.169 0.298 0.42 -0.072 -5.62E-4 0.0 -0.671 -0.620938564026647 -1.1959445523432 -0.4462 -0.3516 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 J24 compound treatment -0.279 -0.15 -0.21 -0.419 -0.348 -0.69 -0.075 -0.024938564026647 -0.0480323521823499 -0.5467 -0.7593 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K01 compound treatment 0.759 0.888 1.26 0.635 0.706 1.39 0.846 0.896061435973353 1.72583868195883 2.531 0.9912 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K02 compound treatment 0.019 0.148 0.21 0.014 0.0854 0.17 -0.043 0.007061435973353 0.013600517624944 0.2271 0.8395 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K03 compound treatment 0.951 1.08 1.54 -0.108 -0.0366 -0.07 0.136 0.186061435973353 0.358359383109494 1.0521 0.6663 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K04 compound treatment 0.344 0.473 0.67 -0.431 -0.36 -0.71 -0.169 -0.118938564026647 -0.229078907241275 -0.1536 -0.1528 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K05 compound treatment 0.339 0.468 0.67 -0.217 -0.146 -0.29 -0.15 -0.099938564026647 -0.192484390793195 0.1074 0.1432 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K06 compound treatment -0.087 0.0424 0.06 -0.034 0.0374 0.07 -0.029 0.021061435973353 0.040564898165635 0.1009 0.9735 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K07 mock treatment 0.085 0.214 0.3 -0.333 -0.262 -0.52 0.057 0.107061435973353 0.206203235772737 -0.0031 -0.0049 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K08 mock treatment -0.113 0.0164 0.02 -0.292 -0.221 -0.44 -0.402 -0.351938564026647 -0.677843240525634 -0.6293 -0.7808 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K09 compound treatment -0.047 0.0824 0.12 -0.016 0.0554 0.11 0.4 0.450061435973353 0.866830559019668 0.6313 0.7161 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K10 compound treatment -0.143 -0.0136 -0.02 -0.135 -0.0636 -0.13 0.35 0.400061435973353 0.770529199945771 0.3612 0.4626 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K11 compound treatment 0.667 0.796 1.13 0.57 0.641 1.27 0.105 0.155061435973353 0.298652540483678 1.5574 0.9029 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K12 compound treatment -0.31 -0.181 -0.26 -0.081 -0.00956 -0.02 -0.171 -0.120938564026647 -0.232930961604231 -0.2936 -0.8457 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K13 compound treatment -0.418 -0.289 -0.41 0.229 0.3 0.59 0.045 0.095061435973353 0.183090909595002 0.2113 0.284 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K14 compound treatment 0.019 0.148 0.21 -0.07 0.00144 0.0 -0.069 -0.018938564026647 -0.0364761890934823 0.1024 0.4782 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K15 mock treatment -0.567 -0.438 -0.62 -0.013 0.0584 0.12 -0.062 -0.011938564026647 -0.0229939988231368 -0.3059 -0.4831 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K16 mock treatment -0.188 -0.0586 -0.08 0.106 0.177 0.35 0.094 0.144061435973353 0.277466241487421 0.3144 0.6915 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K17 compound treatment -0.21 -0.0806 -0.11 -0.197 -0.126 -0.25 -0.1 -0.049938564026647 -0.0961830317192982 -0.2648 -0.9146 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K18 compound treatment 0.087 0.216 0.31 0.086 0.157 0.31 -0.103 -0.052938564026647 -0.101961113263732 0.2983 0.6641 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K19 compound treatment 0.172 0.301 0.43 1.264 1.34 2.34 0.188 0.238061435973353 0.458512796546346 1.864 0.7689 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K20 compound treatment -0.217 -0.0876 -0.12 -0.217 -0.146 -0.29 0.038 0.088061435973353 0.169608719324656 -0.1399 -0.3928 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K21 compound treatment 0.095 0.224 0.32 0.234 0.305 0.6 -0.38 -0.329938564026647 -0.635470642533119 0.1655 0.1775 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K22 compound treatment -0.073 0.0564 0.08 -0.455 -0.384 -0.76 0.052 0.102061435973353 0.196573099865347 -0.2775 -0.3528 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K23 mock treatment -0.246 -0.117 -0.17 -0.437 -0.366 -0.72 -0.205 -0.154938564026647 -0.298415885774481 -0.6847 -0.8576 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 K24 mock treatment -0.273 -0.144 -0.2 -0.183 -0.112 -0.22 -0.197 -0.146938564026647 -0.283007668322658 -0.4084 -0.9898 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L01 compound treatment -0.28 -0.151 -0.21 0.108 0.179 0.35 -0.169 -0.118938564026647 -0.229078907241275 -0.0513 -0.1085 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L02 compound treatment -0.233 -0.104 -0.15 -0.051 0.0204 0.04 0.316 0.366061435973353 0.705044275775521 0.3453 0.4787 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L03 compound treatment -0.235 -0.106 -0.15 0.068 0.139 0.28 0.107 0.157061435973353 0.302504594846634 0.2469 0.5667 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L04 compound treatment -0.695 -0.566 -0.8 -0.532 -0.461 -0.91 -0.831 -0.780938564026647 -1.50410890137967 -1.8577 -0.9611 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L05 compound treatment -0.105 0.0244 0.03 -0.12 -0.0486 -0.1 -0.066 -0.015938564026647 -0.0306981075490485 -0.053 -0.4981 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L06 compound treatment -0.15 -0.0206 -0.03 -0.153 -0.0816 -0.16 0.07 0.120061435973353 0.23124158913195 0.0236 0.0834 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L07 mock treatment -0.171 -0.0416 -0.06 0.276 0.347 0.69 -0.269 -0.218938564026647 -0.421681625389069 0.1185 0.1467 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L08 mock treatment -0.162 -0.0326 -0.05 0.082 0.153 0.3 -0.113 -0.062938564026647 -0.121221385078511 0.0782 0.2372 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L09 compound treatment -0.45 -0.321 -0.46 -0.472 -0.401 -0.79 -0.151 -0.100938564026647 -0.194410417974673 -0.832 -0.8915 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L10 compound treatment -0.271 -0.142 -0.2 -0.258 -0.187 -0.37 0.069 0.119061435973353 0.229315561950472 -0.1965 -0.4108 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L11 compound treatment -0.058 0.0714 0.1 0.035 0.106 0.21 -0.043 0.007061435973353 0.013600517624944 0.1878 0.8033 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L12 compound treatment -0.508 -0.379 -0.54 -0.305 -0.234 -0.46 -0.561 -0.510938564026647 -0.984081562380625 -1.1452 -0.9443 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L13 compound treatment 0.213 0.342 0.49 0.055 0.126 0.25 0.031 0.081061435973353 0.156126529054311 0.5153 0.9058 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L14 compound treatment -0.826 -0.697 -0.99 -1.118 -1.05 -2.07 -0.8 -0.749938564026647 -1.44440205875385 -2.5988 -0.9594 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L15 mock treatment -0.236 -0.107 -0.15 -0.358 -0.287 -0.57 -0.125 -0.074938564026647 -0.144333711256246 -0.4975 -0.8247 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L16 mock treatment -0.063 0.0664 0.09 -0.472 -0.401 -0.79 -0.066 -0.015938564026647 -0.0306981075490485 -0.4198 -0.5267 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L17 compound treatment 0.268 0.397 0.57 -0.026 0.0454 0.09 -0.097 -0.046938564026647 -0.0904049501748644 0.3258 0.5625 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L18 compound treatment 2.273 2.4 2.14 -0.257 -0.186 -0.37 0.826 0.876061435973353 1.68731813832927 1.9953 0.7267 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L19 compound treatment 0.507 0.636 0.9 -1.118 -1.05 -2.07 -0.103 -0.052938564026647 -0.101961113263732 -0.7295 -0.3231 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L20 compound treatment -0.062 0.0674 0.1 0.043 0.114 0.23 -0.357 -0.306938564026647 -0.591172017359127 -0.1555 -0.243 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L21 compound treatment -0.793 -0.664 -0.94 -0.283 -0.212 -0.42 -0.643 -0.592938564026647 -1.14201579126182 -1.4452 -0.939 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L22 compound treatment -0.145 -0.0156 -0.02 -0.516 -0.445 -0.88 -0.286 -0.235938564026647 -0.454424087474193 -0.782 -0.7909 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L23 mock treatment -0.245 -0.116 -0.16 -0.131 -0.0596 -0.12 -0.155 -0.104938564026647 -0.202114526700584 -0.2795 -0.9778 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 L24 mock treatment -0.254 -0.125 -0.18 -0.212 -0.141 -0.28 -0.088 -0.037938564026647 -0.073070705541563 -0.3047 -0.9034 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M01 compound treatment 0.569 0.698 0.99 0.123 0.194 0.38 -0.015 0.035061435973353 0.067529278706326 0.8339 0.7818 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M02 compound treatment -0.045 0.0844 0.12 0.1 0.171 0.34 0.041 0.091061435973353 0.17538680086909 0.366 0.9157 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M03 compound treatment 0.169 0.298 0.42 -0.246 -0.175 -0.34 -0.185 -0.134938564026647 -0.259895342144922 -0.1041 -0.172 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M04 compound treatment -0.576 -0.447 -0.63 -0.087 -0.0156 -0.03 -0.26 -0.209938564026647 -0.404347380755767 -0.6178 -0.82 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M05 compound treatment -0.449 -0.32 -0.45 -0.078 -0.00656 -0.01 0.011 0.061061435973353 0.117605985424752 -0.2019 -0.43 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M06 compound treatment 0.134 0.263 0.37 0.228 0.299 0.59 -0.09 -0.039938564026647 -0.0769227599045188 0.5132 0.7288 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M07 compound treatment -0.271 -0.142 -0.2 -0.121 -0.0496 -0.1 0.027 0.077061435973353 0.148422420328399 -0.087 -0.3241 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M08 compound treatment 0.2 0.329 0.47 0.723 0.794 1.57 0.789 0.839061435973353 1.61605513261458 2.1091 0.9169 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M09 mock treatment -0.028 0.101 0.14 0.111 0.182 0.36 -0.211 -0.160938564026647 -0.309972048863349 0.1123 0.226 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M10 mock treatment -0.41 -0.281 -0.4 -0.286 -0.215 -0.42 -0.405 -0.354938564026647 -0.683621322070067 -0.8696 -0.9686 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M11 compound treatment -0.366 -0.237 -0.34 -0.138 -0.0666 -0.13 0.047 0.097061435973353 0.186942963957958 -0.1622 -0.3988 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M12 compound treatment 0.075 0.204 0.29 -0.083 -0.0116 -0.02 -0.296 -0.245938564026647 -0.473684359288973 -0.1189 -0.2137 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M13 mock treatment -0.063 0.0664 0.09 -0.167 -0.0956 -0.19 0.046 0.096061435973353 0.18501693677648 0.0524 0.1867 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M14 mock treatment -0.203 -0.0736 -0.1 -0.098 -0.0266 -0.05 -0.099 -0.048938564026647 -0.0942570045378202 -0.1451 -0.9656 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M15 compound treatment -0.076 0.0534 0.08 -0.226 -0.155 -0.31 0.04 0.090061435973353 0.173460773687612 -0.0322 -0.0897 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M16 compound treatment -0.103 0.0264 0.04 -0.441 -0.37 -0.73 0.039 0.089061435973353 0.171534746506134 -0.3006 -0.4005 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M17 compound treatment -0.621 -0.492 -0.7 -0.25 -0.179 -0.35 -0.512 -0.461938564026647 -0.889706230488206 -1.1208 -0.9457 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M18 compound treatment -0.633 -0.504 -0.72 -0.345 -0.274 -0.54 -0.273 -0.222938564026647 -0.42938573411498 -0.9731 -0.9786 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M19 compound treatment -1.088 -0.959 -1.36 -0.404 -0.333 -0.66 -0.38 -0.329938564026647 -0.635470642533119 -1.5329 -0.9342 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M20 compound treatment -0.049 0.0804 0.11 0.208 0.279 0.55 -0.103 -0.052938564026647 -0.101961113263732 0.3257 0.5688 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M21 compound treatment -0.183 -0.0536 -0.08 -0.056 0.0154 0.03 0.069 0.119061435973353 0.229315561950472 0.106 0.4352 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M22 compound treatment -0.158 -0.0286 -0.04 -0.298 -0.227 -0.45 -0.4 -0.349938564026647 -0.673991186162678 -0.6709 -0.8283 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M23 compound treatment -0.52 -0.391 -0.56 -0.312 -0.241 -0.47 -0.105 -0.054938564026647 -0.105813167626688 -0.656 -0.8884 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 M24 compound treatment 0.352 0.481 0.68 0.419 0.49 0.97 0.421 0.471061435973353 0.907277129830704 1.4781 0.9899 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N01 compound treatment -0.125 0.00441 0.01 0.355 0.426 0.84 -0.159 -0.108938564026647 -0.209818635426496 0.3686 0.4248 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N02 compound treatment -0.162 -0.0326 -0.05 -0.093 -0.0216 -0.04 -0.214 -0.163938564026647 -0.315750130407782 -0.2336 -0.7257 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N03 compound treatment 0.392 0.521 0.74 0.738 0.809 1.6 0.797 0.847061435973353 1.63146335006641 2.2927 0.9548 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N04 compound treatment -0.581 -0.452 -0.64 -0.058 0.0134 0.03 -0.239 -0.188938564026647 -0.363900809944731 -0.5655 -0.7657 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N05 compound treatment 0.0 0.129 0.18 0.018 0.0894 0.18 -0.145 -0.094938564026647 -0.182854254885805 0.1026 0.327 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N06 compound treatment -0.263 -0.134 -0.19 0.168 0.239 0.47 0.561 0.611061435973353 1.17692093523761 0.8428 0.6572 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N07 compound treatment 0.32 0.449 0.64 -0.135 -0.0636 -0.13 -0.031 0.019061435973353 0.0367128438026791 0.3176 0.487 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N08 compound treatment 0.177 0.306 0.44 -0.107 -0.0356 -0.07 0.143 0.193061435973353 0.371841573379839 0.4257 0.7377 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N09 mock treatment -0.5 -0.371 -0.53 -0.158 -0.0866 -0.17 -0.091 -0.040938564026647 -0.0788487870859968 -0.4484 -0.8014 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N10 mock treatment -0.258 -0.129 -0.18 -0.154 -0.0826 -0.16 -0.288 -0.237938564026647 -0.458276141837149 -0.4643 -0.8934 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N11 compound treatment -0.551 -0.422 -0.6 -0.282 -0.211 -0.42 -0.43 -0.379938564026647 -0.731772001607016 -1.0086 -0.9761 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N12 compound treatment 0.029 0.158 0.23 0.0 0.0714 0.14 0.085 0.135061435973353 0.260131996854119 0.3617 0.9725 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N13 mock treatment -0.232 -0.103 -0.15 0.017 0.0884 0.17 -0.095 -0.044938564026647 -0.0865528958119085 -0.0334 -0.1371 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N14 mock treatment 0.182 0.311 0.44 -0.262 -0.191 -0.38 -0.471 -0.420938564026647 -0.810739116047611 -0.4297 -0.4308 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N15 compound treatment -0.623 -0.494 -0.7 -0.191 -0.12 -0.24 0.057 0.107061435973353 0.206203235772737 -0.4224 -0.5496 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N16 compound treatment 0.15 0.279 0.4 -0.476 -0.405 -0.8 -0.106 -0.055938564026647 -0.107739194808166 -0.294 -0.3272 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N17 compound treatment -0.143 -0.0136 -0.02 -0.281 -0.21 -0.41 -0.074 -0.023938564026647 -0.0461063250008719 -0.2767 -0.6638 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N18 compound treatment 0.014 0.143 0.2 0.208 0.279 0.55 0.76 0.810061435973353 1.56020034435172 1.3371 0.8019 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N19 compound treatment -0.072 0.0574 0.08 0.105 0.176 0.35 -0.169 -0.118938564026647 -0.229078907241275 0.116 0.273 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N20 compound treatment 0.017 0.146 0.21 -0.164 -0.0926 -0.18 -0.333 -0.282938564026647 -0.544947365003656 -0.3 -0.4907 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N21 compound treatment -0.758 -0.629 -0.89 -0.61 -0.539 -1.06 -1.091 -1.04093856402665 -2.00487596856393 -2.2875 -0.9378 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N22 compound treatment -0.212 -0.0826 -0.12 -0.217 -0.146 -0.29 -0.592 -0.541938564026647 -1.04378840500644 -0.8364 -0.768 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N23 compound treatment -0.137 -0.00759 -0.01 -0.114 -0.0426 -0.08 0.116 0.166061435973353 0.319838839479935 0.1299 0.3926 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 N24 compound treatment 0.048 0.177 0.25 -0.443 -0.372 -0.73 -0.429 -0.378938564026647 -0.729845974425538 -0.6993 -0.6565 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O01 compound treatment -0.465 -0.336 -0.48 -1.279 -1.21 -2.38 -0.293 -0.242938564026647 -0.467906277744539 -1.9222 -0.7763 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O02 compound treatment 0.321 0.45 0.64 0.303 0.374 0.74 0.111 0.161061435973353 0.310208703572545 0.9757 0.9508 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O03 compound treatment -0.236 -0.107 -0.15 0.324 0.395 0.78 0.25 0.300061435973353 0.577926481797978 0.697 0.7089 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O04 compound treatment -0.328 -0.199 -0.28 -0.299 -0.228 -0.45 -0.295 -0.244938564026647 -0.471758332107495 -0.6948 -0.9785 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O05 compound treatment -0.056 0.0734 0.1 0.297 0.368 0.73 0.379 0.429061435973353 0.826383988208631 0.9574 0.8657 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O06 compound treatment -1.152 -1.02 -1.45 -0.635 -0.564 -1.11 -0.638 -0.587938564026647 -1.13238565535443 -2.1356 -0.9921 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O07 compound treatment -0.079 0.0504 0.07 -0.414 -0.343 -0.68 0.058 0.108061435973353 0.208129262954215 -0.229 -0.3219 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O08 compound treatment -0.233 -0.104 -0.15 -0.098 -0.0266 -0.05 -0.079 -0.028938564026647 -0.0557364609082616 -0.1475 -0.8886 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O09 compound treatment 0.317 0.446 0.63 -0.538 -0.467 -0.92 -0.157 -0.106938564026647 -0.20596658106354 -0.2843 -0.25 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O10 compound treatment 0.196 0.325 0.46 -0.297 -0.226 -0.45 0.143 0.193061435973353 0.371841573379839 0.2247 0.3027 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O11 mock treatment -0.375 -0.246 -0.35 0.078 0.149 0.3 -0.425 -0.374938564026647 -0.722141865699626 -0.4482 -0.5244 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O12 mock treatment 0.313 0.442 0.63 -0.13 -0.0586 -0.12 -0.132 -0.081938564026647 -0.157815901526592 0.2053 0.3116 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O13 compound treatment -0.016 0.113 0.16 0.324 0.395 0.78 -0.359 -0.308938564026647 -0.595024071722082 0.2003 0.2014 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O14 compound treatment 0.6 0.729 1.04 0.52 0.591 1.17 0.917 0.967061435973353 1.86258661184376 2.3483 0.9661 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O15 compound treatment -0.141 -0.0116 -0.02 0.119 0.19 0.38 0.149 0.199061435973353 0.383397736468707 0.4289 0.7984 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O16 compound treatment 0.339 0.468 0.67 0.121 0.192 0.38 0.203 0.253061435973353 0.487403204268515 0.8853 0.9744 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O17 compound treatment -0.219 -0.0896 -0.13 -0.031 0.0404 0.08 0.14 0.190061435973353 0.366063491835405 0.1839 0.4647 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O18 compound treatment -0.095 0.0344 0.05 0.197 0.268 0.53 0.132 0.182061435973353 0.350655274383582 0.5367 0.842 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O19 compound treatment 1.227 1.36 1.74 0.888 0.959 1.89 0.451 0.501061435973353 0.965057945275042 2.6554 0.9666 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O20 compound treatment -0.15 -0.0206 -0.03 0.219 0.29 0.57 0.065 0.115061435973353 0.221611453224561 0.4421 0.7183 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O21 compound treatment 0.016 0.145 0.21 -0.015 0.0564 0.11 -0.377 -0.326938564026647 -0.629692560988685 -0.1799 -0.2676 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O22 compound treatment -0.067 0.0624 0.09 0.125 0.196 0.39 -0.028 0.022061435973353 0.0424909253471129 0.2997 0.749 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O23 compound treatment -0.015 0.114 0.16 0.087 0.158 0.31 0.27 0.320061435973353 0.616447025427537 0.6304 0.8877 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 O24 compound treatment -0.455 -0.326 -0.46 -0.357 -0.286 -0.56 -0.134 -0.083938564026647 -0.161667955889548 -0.6861 -0.9182 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P01 compound treatment 0.37 0.499 0.71 -0.208 -0.137 -0.27 0.254 0.304061435973353 0.58563059052389 0.5924 0.6177 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P02 compound treatment 0.478 0.607 0.86 -0.011 0.0604 0.12 0.182 0.232061435973353 0.446956633457479 0.8255 0.8427 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P03 compound treatment -0.429 -0.3 -0.43 0.01 0.0814 0.16 -0.107 -0.056938564026647 -0.109665221989644 -0.2164 -0.4621 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P04 compound treatment -0.846 -0.717 -1.02 -1.705 -1.63 -3.23 -1.143 -1.09293856402665 -2.10502938200078 -3.6658 -0.9201 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P05 compound treatment -0.429 -0.3 -0.43 -0.178 -0.107 -0.21 0.177 0.227061435973353 0.437326497550089 -0.1149 -0.178 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P06 compound treatment -0.449 -0.32 -0.45 -0.286 -0.215 -0.42 -0.152 -0.101938564026647 -0.196336445156151 -0.6203 -0.952 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P07 compound treatment 0.356 0.485 0.69 0.603 0.674 1.33 0.079 0.129061435973353 0.248575833765252 1.3108 0.8622 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P08 compound treatment -0.032 0.0974 0.14 0.076 0.147 0.29 -0.407 -0.356938564026647 -0.687473376433023 -0.1489 -0.1961 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P09 compound treatment -0.23 -0.101 -0.14 -0.255 -0.184 -0.36 0.027 0.077061435973353 0.148422420328399 -0.2061 -0.4944 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P10 compound treatment -0.123 0.00641 0.01 -0.456 -0.385 -0.76 -0.296 -0.245938564026647 -0.473684359288973 -0.7066 -0.7895 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P11 mock treatment 0.226 0.355 0.51 -0.106 -0.0346 -0.07 0.041 0.091061435973353 0.17538680086909 0.3536 0.6558 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P12 mock treatment 0.091 0.22 0.31 -0.133 -0.0616 -0.12 0.0 0.050061435973353 0.096419686428495 0.1664 0.4759 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P13 compound treatment -0.468 -0.339 -0.48 0.042 0.113 0.22 -0.203 -0.152938564026647 -0.294563831411525 -0.3187 -0.5249 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P14 compound treatment -0.093 0.0364 0.05 -0.234 -0.163 -0.32 0.246 0.296061435973353 0.570222373072066 0.1738 0.2648 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P15 compound treatment 0.017 0.146 0.21 -0.128 -0.0566 -0.11 -0.281 -0.230938564026647 -0.444793951566804 -0.2011 -0.3993 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P16 compound treatment -0.14 -0.0106 -0.02 -0.051 0.0204 0.04 -0.373 -0.322938564026647 -0.621988452262774 -0.3445 -0.5525 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P17 compound treatment -0.345 -0.216 -0.31 -0.219 -0.148 -0.29 -0.082 -0.031938564026647 -0.0615145424526954 -0.3807 -0.8908 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P18 compound treatment -0.623 -0.494 -0.7 -0.469 -0.398 -0.78 -0.516 -0.465938564026647 -0.897410339214118 -1.3765 -0.995 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P19 compound treatment -0.241 -0.112 -0.16 -0.662 -0.591 -1.17 0.037 0.087061435973353 0.167682692143178 -0.668 -0.562 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P20 compound treatment 0.0 0.129 0.18 -0.205 -0.134 -0.26 -0.462 -0.411938564026647 -0.793404871414309 -0.5041 -0.5888 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P21 compound treatment 0.269 0.398 0.57 0.46 0.531 1.05 0.041 0.091061435973353 0.17538680086909 1.0341 0.858 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P22 compound treatment -0.107 0.0224 0.03 0.119 0.19 0.38 -0.129 -0.078938564026647 -0.152037819982158 0.1477 0.3631 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P23 compound treatment -0.759 -0.63 -0.9 -1.136 -1.06 -2.1 -1.0 -0.949938564026647 -1.82960749504944 -2.7867 -0.9521 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2296 P24 compound treatment -0.019 0.11 0.16 0.13 0.201 0.4 -0.078 -0.027938564026647 -0.0538104337267837 0.2892 0.671 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A01 compound treatment 0.4 0.529 0.75 0.453 0.524 1.04 0.478 0.528061435973353 1.01706067917495 1.6196 0.9906 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A02 compound treatment 0.836 0.965 1.37 0.262 0.333 0.66 0.275 0.325061435973353 0.626077161334926 1.5341 0.932 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A03 compound treatment -0.318 -0.189 -0.27 -0.302 -0.231 -0.46 -0.343 -0.292938564026647 -0.564207636818436 -0.7434 -0.9617 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A04 compound treatment 0.066 0.195 0.28 0.134 0.205 0.41 0.436 0.486061435973353 0.936167537552873 0.9351 0.8843 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A05 compound treatment -0.279 -0.15 -0.21 -0.333 -0.262 -0.52 -0.25 -0.199938564026647 -0.385087108940988 -0.6433 -0.9482 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A06 compound treatment 1.268 1.4 1.76 1.475 1.55 2.49 1.128 1.17806143597335 2.13794524390094 3.6891 0.9904 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A07 compound treatment 0.5 0.629 0.89 0.522 0.593 1.17 0.973 1.02306143597335 1.97044413400652 2.3308 0.9471 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A08 compound treatment -0.117 0.0124 0.02 -0.082 -0.0106 -0.02 -0.506 -0.455938564026647 -0.878150067399338 -0.5089 -0.5792 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A09 compound treatment 0.052 0.181 0.26 -0.071 4.38E-4 0.0 0.288 0.338061435973353 0.651115514694139 0.5253 0.7501 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A10 compound treatment -0.011 0.118 0.17 -0.345 -0.274 -0.54 -0.807 -0.756938564026647 -1.4578842490242 -1.0564 -0.6755 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A11 compound treatment -1.943 -1.81 -2.58 -0.918 -0.847 -1.67 -0.976 -0.925938564026647 -1.78338284269397 -3.4834 -0.9804 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A12 compound treatment -0.55 -0.421 -0.6 0.049 0.12 0.24 -0.145 -0.094938564026647 -0.182854254885805 -0.3135 -0.4686 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A13 mock treatment -0.365 -0.236 -0.33 -0.509 -0.438 -0.86 -0.484 -0.433938564026647 -0.835777469406824 -1.1747 -0.9414 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A14 mock treatment -0.127 0.00241 0.0 -0.433 -0.362 -0.71 -0.271 -0.220938564026647 -0.425533679752025 -0.6559 -0.7892 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A15 compound treatment 0.311 0.44 0.63 0.098 0.169 0.33 0.257 0.307061435973353 0.591408672068323 0.8961 0.9698 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A16 compound treatment -0.257 -0.128 -0.18 -0.185 -0.114 -0.22 -0.274 -0.223938564026647 -0.431311761296458 -0.4832 -0.9313 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A17 compound treatment -0.379 -0.25 -0.35 -0.738 -0.667 -1.32 -1.025 -0.974938564026647 -1.87775817458638 -2.0489 -0.883 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A18 compound treatment 0.37 0.499 0.71 -0.196 -0.125 -0.25 0.045 0.095061435973353 0.183090909595002 0.3737 0.4831 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A19 compound treatment 0.181 0.31 0.44 -0.196 -0.125 -0.25 -0.02 0.030061435973353 0.0578991427989364 0.1462 0.2876 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A20 compound treatment 0.783 0.912 1.3 0.98 1.05 2.08 1.247 1.29706143597335 2.2344662018719 3.2377 0.9768 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A21 compound treatment -0.08 0.0494 0.07 0.164 0.235 0.46 0.041 0.091061435973353 0.17538680086909 0.4102 0.8175 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A22 compound treatment -0.655 -0.526 -0.75 -0.845 -0.774 -1.53 -1.0 -0.949938564026647 -1.82960749504944 -2.3696 -0.9487 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A23 compound treatment 0.024 0.153 0.22 -0.435 -0.364 -0.72 -0.343 -0.292938564026647 -0.564207636818436 -0.6143 -0.6544 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 A24 compound treatment -0.375 -0.246 -0.35 -0.115 -0.0436 -0.09 -0.058 -0.00793856402664701 -0.015289890097225 -0.2601 -0.7226 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B01 compound treatment -0.276 -0.147 -0.21 -0.263 -0.192 -0.38 -0.286 -0.235938564026647 -0.454424087474193 -0.6011 -0.9588 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B02 mock treatment -0.785 -0.656 -0.93 -0.437 -0.366 -0.72 -0.614 -0.563938564026647 -1.08616100299896 -1.582 -0.9869 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B03 compound treatment 0.406 0.535 0.76 0.119 0.19 0.38 0.5 0.550061435973353 1.05943327716746 1.2683 0.9341 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B04 mock treatment -0.341 -0.212 -0.3 -0.945 -0.874 -1.72 -0.908 -0.857938564026647 -1.65241299435347 -2.1236 -0.8821 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B05 compound treatment -0.5 -0.371 -0.53 -0.483 -0.412 -0.81 -0.167 -0.116938564026647 -0.22522685287832 -0.9034 -0.9086 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B06 mock treatment -0.543 -0.414 -0.59 -0.262 -0.191 -0.38 -0.744 -0.693938564026647 -1.33654453659109 -1.3284 -0.881 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B07 compound treatment -0.224 -0.0946 -0.13 0.339 0.41 0.81 0.161 0.211061435973353 0.406510062646442 0.6249 0.6818 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B08 mock treatment -0.733 -0.604 -0.86 -0.809 -0.738 -1.46 -0.677 -0.626938564026647 -1.20750071543206 -2.0334 -0.9789 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B09 compound treatment -0.778 -0.649 -0.92 -0.45 -0.379 -0.75 -0.457 -0.406938564026647 -0.78377473550692 -1.4165 -0.9958 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B10 mock treatment -0.647 -0.518 -0.74 -0.375 -0.304 -0.6 -0.103 -0.052938564026647 -0.101961113263732 -0.8298 -0.8693 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B11 compound treatment -0.726 -0.597 -0.85 -0.635 -0.564 -1.11 -0.725 -0.674938564026647 -1.29995002014301 -1.8827 -0.9858 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B12 mock treatment 0.083 0.212 0.3 0.115 0.186 0.37 0.206 0.256061435973353 0.493181285812949 0.6716 0.9797 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B13 mock treatment -0.033 0.0964 0.14 -0.39 -0.319 -0.63 -0.349 -0.298938564026647 -0.575763799907303 -0.6164 -0.7137 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B14 mock treatment -0.047 0.0824 0.12 -0.235 -0.164 -0.32 -0.431 -0.380938564026647 -0.733698028788494 -0.5424 -0.6695 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B15 compound treatment -0.045 0.0844 0.12 -0.062 0.00944 0.02 -0.149 -0.098938564026647 -0.190558363611717 -0.03 -0.1326 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B16 mock treatment -0.443 -0.314 -0.45 -0.022 0.0494 0.1 -0.606 -0.555938564026647 -1.07075278554713 -0.8193 -0.7038 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B17 compound treatment -0.19 -0.0606 -0.09 -0.3 -0.229 -0.45 -0.119 -0.068938564026647 -0.132777548167379 -0.387 -0.8091 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B18 mock treatment -0.246 -0.117 -0.17 -0.063 0.00844 0.02 -0.45 -0.399938564026647 -0.770292545236574 -0.5308 -0.6735 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B19 compound treatment 0.233 0.362 0.52 -0.254 -0.183 -0.36 -0.343 -0.292938564026647 -0.564207636818436 -0.2364 -0.2798 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B20 mock treatment -0.237 -0.108 -0.15 0.075 0.146 0.29 0.09 0.140061435973353 0.269762132761509 0.2344 0.5528 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B21 compound treatment 0.216 0.345 0.49 0.292 0.363 0.72 0.734 0.784061435973353 1.5101236376333 1.5697 0.9008 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B22 mock treatment -0.557 -0.428 -0.61 -0.261 -0.19 -0.37 -0.222 -0.171938564026647 -0.331158347859606 -0.7583 -0.9635 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B23 compound treatment 0.235 0.364 0.52 0.0 0.0714 0.14 -0.038 0.012061435973353 0.0232306535323336 0.394 0.733 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 B24 mock treatment -0.082 0.0474 0.07 -0.062 0.00944 0.02 0.0 0.050061435973353 0.096419686428495 0.1053 0.8844 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C01 compound treatment -0.268 -0.139 -0.2 -0.279 -0.208 -0.41 -0.016 0.034061435973353 0.0656032515248481 -0.3125 -0.6802 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C02 compound treatment -0.135 -0.00559 -0.01 -0.342 -0.271 -0.53 0.1 0.150061435973353 0.289022404576288 -0.1462 -0.2406 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C03 compound treatment -0.236 -0.107 -0.15 0.092 0.163 0.32 0.092 0.142061435973353 0.273614187124465 0.2568 0.5714 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C04 compound treatment -0.283 -0.154 -0.22 -0.169 -0.0976 -0.19 -0.197 -0.146938564026647 -0.283007668322658 -0.4007 -0.9868 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C05 compound treatment -0.333 -0.204 -0.29 -0.25 -0.179 -0.35 -0.237 -0.186938564026647 -0.360048755581775 -0.5786 -0.9955 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C06 compound treatment -0.476 -0.347 -0.49 -0.014 0.0574 0.11 -0.176 -0.125938564026647 -0.242561097511621 -0.3591 -0.6402 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C07 compound treatment -0.227 -0.0976 -0.14 -0.217 -0.146 -0.29 -0.179 -0.128938564026647 -0.248339179056055 -0.3894 -0.963 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C08 compound treatment 0.183 0.312 0.44 -0.022 0.0494 0.1 -0.366 -0.315938564026647 -0.608506261992428 -0.0385 -0.0507 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C09 compound treatment -0.393 -0.264 -0.37 -0.451 -0.38 -0.75 -0.225 -0.174938564026647 -0.33693642940404 -0.8436 -0.9341 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C10 compound treatment -0.016 0.113 0.16 -0.288 -0.217 -0.43 -0.579 -0.528938564026647 -1.01875005164723 -0.742 -0.6645 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C11 mock treatment -0.406 -0.277 -0.39 -0.024 0.0474 0.09 -0.198 -0.147938564026647 -0.284933695504136 -0.3375 -0.6823 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C12 mock treatment -0.288 -0.159 -0.23 0.418 0.489 0.97 0.108 0.158061435973353 0.304430622028112 0.6035 0.5814 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C13 compound treatment -0.17 -0.0406 -0.06 -0.254 -0.183 -0.36 -0.094 -0.043938564026647 -0.0846268686304306 -0.2903 -0.7747 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C14 compound treatment -0.204 -0.0746 -0.11 0.38 0.451 0.89 0.116 0.166061435973353 0.319838839479935 0.6381 0.6696 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C15 mock treatment 0.073 0.202 0.29 -0.323 -0.252 -0.5 -0.167 -0.116938564026647 -0.22522685287832 -0.2507 -0.4065 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C16 mock treatment -0.17 -0.0406 -0.06 -0.38 -0.309 -0.61 -0.316 -0.265938564026647 -0.512204902918531 -0.6808 -0.8531 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C17 compound treatment 0.397 0.526 0.75 0.635 0.706 1.39 0.267 0.317061435973353 0.610668943883103 1.59 0.9371 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C18 compound treatment -0.175 -0.0456 -0.06 0.292 0.363 0.72 0.315 0.365061435973353 0.703118248594043 0.7828 0.7776 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C19 compound treatment -0.328 -0.199 -0.28 -0.448 -0.377 -0.74 -0.558 -0.507938564026647 -0.978303480836191 -1.1571 -0.9178 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C20 compound treatment 0.111 0.24 0.34 -0.14 -0.0686 -0.14 0.219 0.269061435973353 0.518219639172162 0.4184 0.6585 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C21 compound treatment -0.317 -0.188 -0.27 0.029 0.1 0.2 -0.07 -0.019938564026647 -0.0384022162749602 -0.0617 -0.1843 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C22 compound treatment -0.895 -0.766 -1.09 -0.855 -0.784 -1.55 -0.929 -0.878938564026647 -1.6928595651645 -2.4991 -0.9844 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C23 compound treatment -0.182 -0.0526 -0.07 -0.432 -0.361 -0.71 -0.447 -0.396938564026647 -0.76451446369214 -0.8956 -0.8551 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 C24 compound treatment -0.328 -0.199 -0.28 -0.09 -0.0186 -0.04 -0.273 -0.222938564026647 -0.42938573411498 -0.4321 -0.8387 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D01 compound treatment -0.07 0.0594 0.08 -0.071 4.38E-4 0.0 -0.067 -0.016938564026647 -0.0326241347305264 0.0304 0.3361 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D02 mock treatment -0.326 -0.197 -0.28 -0.467 -0.396 -0.78 -0.071 -0.020938564026647 -0.0403282434564381 -0.6356 -0.7653 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D03 compound treatment -0.07 0.0594 0.08 -0.494 -0.423 -0.83 -0.283 -0.232938564026647 -0.44864600592976 -0.692 -0.7276 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D04 mock treatment -0.569 -0.44 -0.63 -0.531 -0.46 -0.91 -0.439 -0.388938564026647 -0.749106246240317 -1.3172 -0.9886 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D05 compound treatment -0.396 -0.267 -0.38 -0.667 -0.596 -1.18 -0.397 -0.346938564026647 -0.668213104618244 -1.2836 -0.9138 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D06 mock treatment -0.606 -0.477 -0.68 0.011 0.0824 0.16 -0.246 -0.195938564026647 -0.377383000215076 -0.5151 -0.65 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D07 compound treatment -0.123 0.00641 0.01 -0.084 -0.0126 -0.02 -0.32 -0.269938564026647 -0.519909011644443 -0.3092 -0.594 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D08 mock treatment -0.034 0.0954 0.14 0.017 0.0884 0.17 -0.407 -0.356938564026647 -0.687473376433023 -0.2178 -0.3016 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D09 compound treatment -0.121 0.00841 0.01 -0.54 -0.469 -0.93 -0.458 -0.407938564026647 -0.785700762688398 -0.9809 -0.8081 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D10 mock treatment 0.322 0.451 0.64 -0.23 -0.159 -0.31 -0.278 -0.227938564026647 -0.43901587002237 -0.0637 -0.076 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D11 mock treatment 0.298 0.427 0.61 -0.22 -0.149 -0.29 -0.304 -0.253938564026647 -0.489092576740796 -0.1009 -0.1211 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D12 mock treatment -0.109 0.0204 0.03 -0.506 -0.435 -0.86 -0.5 -0.449938564026647 -0.866593904310471 -0.979 -0.8025 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D13 compound treatment -0.244 -0.115 -0.16 0.056 0.127 0.25 0.103 0.153061435973353 0.294800486120722 0.2214 0.5266 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D14 mock treatment 0.286 0.415 0.59 -0.486 -0.415 -0.82 -0.074 -0.023938564026647 -0.0461063250008719 -0.1582 -0.1566 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D15 mock treatment -0.018 0.111 0.16 -0.237 -0.166 -0.33 -0.636 -0.585938564026647 -1.12853360099147 -0.7488 -0.6316 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D16 mock treatment -0.245 -0.116 -0.16 -0.488 -0.417 -0.82 -0.679 -0.628938564026647 -1.21135276979502 -1.2691 -0.8614 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D17 compound treatment -0.538 -0.409 -0.58 -0.188 -0.117 -0.23 -0.476 -0.425938564026647 -0.820369251955 -0.9419 -0.9134 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D18 mock treatment -0.635 -0.506 -0.72 -0.447 -0.376 -0.74 -0.437 -0.386938564026647 -0.745254191877361 -1.2734 -0.9999 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D19 compound treatment -0.187 -0.0576 -0.08 -0.111 -0.0396 -0.08 -0.679 -0.628938564026647 -1.21135276979502 -0.7917 -0.6508 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D20 mock treatment -0.256 -0.127 -0.18 -0.213 -0.142 -0.28 -0.089 -0.038938564026647 -0.0749967327230409 -0.3086 -0.9055 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D21 compound treatment -0.4 -0.271 -0.38 0.496 0.567 1.12 -0.292 -0.241938564026647 -0.465980250563061 0.1557 0.1223 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D22 mock treatment -0.177 -0.0476 -0.07 0.116 0.187 0.37 -0.843 -0.792938564026647 -1.5272212275574 -0.7071 -0.4496 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D23 compound treatment -0.291 -0.162 -0.23 -0.352 -0.281 -0.55 -0.493 -0.442938564026647 -0.853111714040125 -0.945 -0.9062 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 D24 mock treatment -0.589 -0.46 -0.65 -0.564 -0.493 -0.97 -0.662 -0.611938564026647 -1.1786103077099 -1.6192 -0.9743 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E01 mock treatment -0.571 -0.442 -0.63 -0.51 -0.439 -0.87 -0.43 -0.379938564026647 -0.731772001607016 -1.2849 -0.9915 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E02 mock treatment -0.214 -0.0846 -0.12 0.032 0.103 0.2 -0.274 -0.223938564026647 -0.431311761296458 -0.2005 -0.4075 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E03 compound treatment 0.086 0.215 0.31 -0.566 -0.495 -0.98 -0.105 -0.054938564026647 -0.105813167626688 -0.4481 -0.4355 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E04 compound treatment -0.025 0.104 0.15 -0.131 -0.0596 -0.12 -0.169 -0.118938564026647 -0.229078907241275 -0.1145 -0.3851 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E05 compound treatment -0.525 -0.396 -0.56 -0.476 -0.405 -0.8 -0.413 -0.362938564026647 -0.699029539521891 -1.1895 -0.9902 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E06 compound treatment 0.373 0.502 0.71 0.281 0.352 0.7 0.291 0.341061435973353 0.656893596238573 1.1934 0.9994 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E07 compound treatment 0.181 0.31 0.44 -0.242 -0.171 -0.34 -0.43 -0.379938564026647 -0.731772001607016 -0.3621 -0.3942 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E08 compound treatment -0.37 -0.241 -0.34 -0.052 0.0194 0.04 -0.557 -0.506938564026647 -0.976377453654713 -0.739 -0.7139 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E09 mock treatment -0.176 -0.0466 -0.07 0.038 0.109 0.22 -0.051 -9.38564026647E-4 -0.0018076998268795 0.0855 0.3781 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E10 mock treatment 0.186 0.315 0.45 -0.455 -0.384 -0.76 -0.434 -0.383938564026647 -0.739476110332927 -0.6053 -0.5265 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E11 compound treatment 0.06 0.189 0.27 -0.042 0.0294 0.06 -0.398 -0.347938564026647 -0.670139131799722 -0.1979 -0.2731 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E12 compound treatment 0.096 0.225 0.32 0.207 0.278 0.55 0.028 0.078061435973353 0.150348447509877 0.5892 0.9011 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E13 compound treatment -0.227 -0.0976 -0.14 -0.471 -0.4 -0.79 -0.375 -0.324938564026647 -0.625840506625729 -0.8969 -0.8823 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E14 compound treatment -0.061 0.0684 0.1 -0.228 -0.157 -0.31 -0.181 -0.130938564026647 -0.252191233419011 -0.2679 -0.6525 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E15 compound treatment -0.465 -0.336 -0.48 0.145 0.216 0.43 -0.145 -0.094938564026647 -0.182854254885805 -0.1343 -0.2016 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E16 compound treatment -0.905 -0.776 -1.1 -0.766 -0.695 -1.37 -0.717 -0.666938564026647 -1.28454180269118 -2.1701 -0.996 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E17 mock treatment -0.425 -0.296 -0.42 -0.275 -0.204 -0.4 -1.094 -1.04393856402665 -2.01065405010836 -1.6356 -0.7814 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E18 mock treatment -0.176 -0.0466 -0.07 -0.509 -0.438 -0.86 -0.821 -0.770938564026647 -1.48484862956489 -1.3943 -0.811 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E19 compound treatment -0.16 -0.0306 -0.04 0.158 0.229 0.45 0.687 0.737061435973353 1.41960036010383 1.0561 0.7084 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E20 compound treatment 0.447 0.576 0.82 1.418 1.49 2.45 1.182 1.23206143597335 2.1829365026191 3.1494 0.9307 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E21 compound treatment -0.107 0.0224 0.03 0.075 0.146 0.29 -0.183 -0.132938564026647 -0.256043287781967 0.0375 0.0968 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E22 compound treatment -0.119 0.0104 0.01 0.109 0.18 0.36 0.188 0.238061435973353 0.458512796546346 0.479 0.8246 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E23 compound treatment 0.231 0.36 0.51 -0.15 -0.0786 -0.16 0.523 0.573061435973353 1.10373190234145 0.8435 0.6876 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 E24 compound treatment 0.213 0.342 0.49 -0.298 -0.227 -0.45 -0.129 -0.078938564026647 -0.152037819982158 -0.065 -0.0958 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F01 mock treatment -0.127 0.00241 0.0 -0.333 -0.262 -0.52 -0.254 -0.203938564026647 -0.3927912176669 -0.523 -0.806 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F02 mock treatment -0.226 -0.0966 -0.14 -0.283 -0.212 -0.42 -0.307 -0.256938564026647 -0.49487065828523 -0.6062 -0.9157 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F03 compound treatment 0.0 0.129 0.18 -0.097 -0.0256 -0.05 -0.24 -0.189938564026647 -0.365826837126209 -0.1341 -0.3251 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F04 mock treatment -0.508 -0.379 -0.54 -0.323 -0.252 -0.5 -0.588 -0.537938564026647 -1.03608429628053 -1.1957 -0.9424 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F05 compound treatment 0.263 0.392 0.56 0.417 0.488 0.96 0.307 0.357061435973353 0.68771003114222 1.276 0.9745 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F06 mock treatment -0.277 -0.148 -0.21 -0.259 -0.188 -0.37 -0.485 -0.434938564026647 -0.837703496588302 -0.8186 -0.8712 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F07 compound treatment -0.373 -0.244 -0.35 -0.49 -0.419 -0.83 -0.754 -0.703938564026647 -1.35580480840587 -1.4599 -0.8983 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F08 mock treatment -0.397 -0.268 -0.38 -0.469 -0.398 -0.78 -0.178 -0.127938564026647 -0.246413151874577 -0.8151 -0.8992 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F09 mock treatment -0.178 -0.0486 -0.07 -0.018 0.0534 0.11 0.041 0.091061435973353 0.17538680086909 0.1223 0.5661 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F10 mock treatment -0.574 -0.445 -0.63 -0.509 -0.438 -0.86 -0.75 -0.699938564026647 -1.34810069967995 -1.6421 -0.9539 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F11 compound treatment -0.253 -0.124 -0.18 -0.417 -0.346 -0.68 -0.634 -0.583938564026647 -1.12468154662851 -1.1447 -0.8625 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F12 mock treatment 0.358 0.487 0.69 0.108 0.179 0.35 0.17 0.220061435973353 0.423844307279743 0.8494 0.9584 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F13 compound treatment -0.234 -0.105 -0.15 -0.339 -0.268 -0.53 -0.213 -0.162938564026647 -0.313824103226304 -0.5721 -0.9048 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F14 mock treatment -0.397 -0.268 -0.38 -0.323 -0.252 -0.5 -0.347 -0.296938564026647 -0.571911745544347 -0.8366 -0.987 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F15 compound treatment 1.425 1.55 1.84 0.516 0.587 1.16 0.127 0.177061435973353 0.341025138476192 1.9277 0.8763 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F16 mock treatment -0.667 -0.538 -0.76 0.081 0.152 0.3 -0.565 -0.514938564026647 -0.991785671106536 -0.8401 -0.6524 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F17 mock treatment -0.333 -0.204 -0.29 -0.224 -0.153 -0.3 -0.432 -0.381938564026647 -0.735624055969971 -0.7658 -0.9052 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F18 mock treatment -0.547 -0.418 -0.59 -0.308 -0.237 -0.47 -0.328 -0.277938564026647 -0.535317229096267 -0.9215 -0.9953 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F19 compound treatment -0.256 -0.127 -0.18 -0.409 -0.338 -0.67 -0.553 -0.502938564026647 -0.968673344928801 -1.048 -0.881 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F20 mock treatment -0.154 -0.0246 -0.03 -0.163 -0.0916 -0.18 -0.377 -0.326938564026647 -0.629692560988685 -0.4881 -0.744 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F21 compound treatment -0.056 0.0734 0.1 -0.127 -0.0556 -0.11 -0.395 -0.344938564026647 -0.664361050255288 -0.3867 -0.5674 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F22 mock treatment -0.33 -0.201 -0.29 -0.463 -0.392 -0.77 -1.026 -0.975938564026647 -1.87968420176786 -1.6963 -0.8265 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F23 compound treatment -0.677 -0.548 -0.78 0.491 0.562 1.11 -0.65 -0.599938564026647 -1.15549798153216 -0.4755 -0.2668 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 F24 mock treatment 0.145 0.274 0.39 0.101 0.172 0.34 -0.452 -0.401938564026647 -0.77414459959953 -0.0251 -0.027 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G01 compound treatment -0.273 -0.144 -0.2 -0.238 -0.167 -0.33 -0.194 -0.143938564026647 -0.277229586778224 -0.4678 -0.9825 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G02 compound treatment -0.821 -0.692 -0.98 -0.424 -0.353 -0.7 -0.786 -0.735938564026647 -1.41743767821316 -1.788 -0.9611 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G03 mock treatment -0.476 -0.347 -0.49 -0.371 -0.3 -0.59 -0.681 -0.630938564026647 -1.21520482415798 -1.3276 -0.9229 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G04 mock treatment -0.313 -0.184 -0.26 -0.179 -0.108 -0.21 -0.465 -0.414938564026647 -0.799182952958743 -0.7347 -0.8473 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G05 compound treatment 0.082 0.211 0.3 -0.091 -0.0196 -0.04 -0.232 -0.181938564026647 -0.350418619674385 -0.0511 -0.1102 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G06 compound treatment 0.098 0.227 0.32 0.159 0.23 0.46 0.012 0.062061435973353 0.11953201260623 0.5184 0.9081 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G07 compound treatment 0.212 0.341 0.49 -0.386 -0.315 -0.62 -0.432 -0.381938564026647 -0.735624055969971 -0.5031 -0.4666 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G08 compound treatment -0.403 -0.274 -0.39 -0.551 -0.48 -0.95 -0.875 -0.824938564026647 -1.5888540973647 -1.6886 -0.8934 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G09 compound treatment -0.099 0.0304 0.04 -0.032 0.0394 0.08 -0.288 -0.237938564026647 -0.458276141837149 -0.1947 -0.417 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G10 compound treatment -0.352 -0.223 -0.32 -0.157 -0.0856 -0.17 -0.333 -0.282938564026647 -0.544947365003656 -0.5949 -0.9118 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G11 compound treatment -0.117 0.0124 0.02 0.101 0.172 0.34 -0.596 -0.545938564026647 -1.05149251373235 -0.4003 -0.3622 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G12 compound treatment 0.097 0.226 0.32 0.075 0.146 0.29 0.276 0.326061435973353 0.628003188516404 0.7154 0.938 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G13 compound treatment -0.293 -0.164 -0.23 -0.169 -0.0976 -0.19 -0.014 0.036061435973353 0.069455305887804 -0.2054 -0.6628 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G14 compound treatment -0.446 -0.317 -0.45 0.0 0.0714 0.14 -0.37 -0.319938564026647 -0.61621037071834 -0.5342 -0.6884 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G15 compound treatment 0.972 1.1 1.57 -0.194 -0.123 -0.24 -0.4 -0.349938564026647 -0.673991186162678 0.3753 0.2179 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G16 compound treatment 0.215 0.344 0.49 -0.254 -0.183 -0.36 -0.338 -0.287938564026647 -0.554577500911046 -0.2456 -0.2984 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G17 compound treatment -0.03 0.0994 0.14 -0.329 -0.258 -0.51 -0.162 -0.111938564026647 -0.21559671697093 -0.3365 -0.5902 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G18 compound treatment -0.038 0.0914 0.13 -0.227 -0.156 -0.31 -0.679 -0.628938564026647 -1.21135276979502 -0.8017 -0.6381 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G19 mock treatment -0.115 0.0144 0.02 -0.5 -0.429 -0.85 -0.767 -0.716938564026647 -1.38084316176508 -1.274 -0.7866 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G20 mock treatment 0.111 0.24 0.34 -0.044 0.0274 0.05 -0.13 -0.079938564026647 -0.153963847163636 0.1397 0.3689 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G21 compound treatment -0.286 -0.157 -0.22 -0.159 -0.0876 -0.17 -0.688 -0.637938564026647 -1.22868701442832 -0.9377 -0.7439 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G22 compound treatment 0.155 0.284 0.4 -0.514 -0.443 -0.87 -0.467 -0.416938564026647 -0.803035007321699 -0.7347 -0.586 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G23 compound treatment 0.557 0.686 0.98 -0.28 -0.209 -0.41 -0.416 -0.365938564026647 -0.704807621066325 -0.0812 -0.0638 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 G24 compound treatment 0.069 0.198 0.28 -0.456 -0.385 -0.76 -0.169 -0.118938564026647 -0.229078907241275 -0.4078 -0.4844 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H01 compound treatment -0.07 0.0594 0.08 -0.265 -0.194 -0.38 0.152 0.202061435973353 0.389175818013141 0.0528 0.0957 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H02 mock treatment -0.571 -0.442 -0.63 -0.529 -0.458 -0.9 -0.485 -0.434938564026647 -0.837703496588302 -1.3677 -0.9891 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H03 mock treatment 0.037 0.166 0.24 -0.309 -0.238 -0.47 -0.216 -0.165938564026647 -0.319602184770738 -0.3187 -0.5183 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H04 mock treatment -0.471 -0.342 -0.49 -0.239 -0.168 -0.33 -0.298 -0.247938564026647 -0.477536413651929 -0.7471 -0.9867 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H05 compound treatment -0.138 -0.00859 -0.01 -0.113 -0.0416 -0.08 -0.242 -0.191938564026647 -0.369678891489164 -0.2679 -0.707 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H06 mock treatment -0.323 -0.194 -0.28 -0.423 -0.352 -0.69 -0.633 -0.582938564026647 -1.12275551944704 -1.2079 -0.8958 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H07 compound treatment -0.079 0.0504 0.07 0.069 0.14 0.28 -0.103 -0.052938564026647 -0.101961113263732 0.1426 0.4691 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H08 mock treatment -0.095 0.0344 0.05 -0.517 -0.446 -0.88 -0.411 -0.360938564026647 -0.695177485158935 -0.8811 -0.785 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H09 compound treatment -0.04 0.0894 0.13 -0.161 -0.0896 -0.18 -0.542 -0.491938564026647 -0.947487045932544 -0.5757 -0.5922 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H10 mock treatment 0.046 0.175 0.25 -0.296 -0.225 -0.44 -0.493 -0.442938564026647 -0.853111714040125 -0.6046 -0.6086 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H11 compound treatment 0.032 0.161 0.23 0.034 0.105 0.21 0.063 0.113061435973353 0.217759398861605 0.3784 0.9992 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H12 mock treatment 0.085 0.214 0.3 -0.412 -0.341 -0.67 -0.071 -0.020938564026647 -0.0403282434564381 -0.2355 -0.3185 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H13 compound treatment -0.439 -0.31 -0.44 -0.025 0.0464 0.09 0.029 0.079061435973353 0.152274474691355 -0.1133 -0.2386 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H14 mock treatment 0.065 0.194 0.28 0.0 0.0714 0.14 -0.437 -0.386938564026647 -0.745254191877361 -0.1893 -0.2344 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H15 compound treatment -0.389 -0.26 -0.37 -0.422 -0.351 -0.69 -0.46 -0.409938564026647 -0.789552817051354 -1.0686 -0.9601 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H16 mock treatment -0.34 -0.211 -0.3 -0.197 -0.126 -0.25 -0.593 -0.542938564026647 -1.04571443218792 -0.9197 -0.8244 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H17 compound treatment 0.222 0.351 0.5 0.328 0.399 0.79 -0.145 -0.094938564026647 -0.182854254885805 0.6382 0.6709 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H18 mock treatment -0.303 -0.174 -0.25 -0.473 -0.402 -0.79 -0.627 -0.576938564026647 -1.11119935635817 -1.2418 -0.8952 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H19 mock treatment -0.149 -0.0196 -0.03 0.236 0.307 0.61 -0.211 -0.160938564026647 -0.309972048863349 0.1554 0.2278 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H20 mock treatment 0.2 0.329 0.47 -0.613 -0.542 -1.07 -0.278 -0.227938564026647 -0.43901587002237 -0.6004 -0.4814 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H21 compound treatment -0.416 -0.287 -0.41 -0.481 -0.41 -0.81 -0.555 -0.504938564026647 -0.972525399291757 -1.2636 -0.9509 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H22 mock treatment 0.354 0.483 0.69 -0.338 -0.267 -0.53 -0.104 -0.053938564026647 -0.10388714044521 0.033 0.0378 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H23 compound treatment -0.419 -0.29 -0.41 -0.284 -0.213 -0.42 0.108 0.158061435973353 0.304430622028112 -0.3043 -0.4596 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 H24 mock treatment -0.25 -0.121 -0.17 -0.147 -0.0756 -0.15 -0.394 -0.343938564026647 -0.66243502307381 -0.5676 -0.8104 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I01 compound treatment -0.121 0.00841 0.01 -0.18 -0.109 -0.21 -0.215 -0.164938564026647 -0.31767615758926 -0.3003 -0.7831 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I02 compound treatment 0.299 0.428 0.61 0.098 0.169 0.33 0.043 0.093061435973353 0.179238855232046 0.6483 0.9033 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I03 compound treatment 0.014 0.143 0.2 0.238 0.309 0.61 -0.5 -0.449938564026647 -0.866593904310471 -0.0299 -0.0276 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I04 compound treatment 0.564 0.693 0.99 0.802 0.873 1.72 0.634 0.684061435973353 1.3175209194855 2.3256 0.9756 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I05 mock treatment -0.235 -0.106 -0.15 -0.521 -0.45 -0.89 -0.679 -0.628938564026647 -1.21135276979502 -1.2985 -0.8604 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I06 mock treatment -0.493 -0.364 -0.52 -0.453 -0.382 -0.75 -0.815 -0.764938564026647 -1.47329246647602 -1.584 -0.9137 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I07 compound treatment 0.046 0.175 0.25 -0.679 -0.608 -1.2 -0.366 -0.315938564026647 -0.608506261992428 -0.8999 -0.6578 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I08 compound treatment -0.106 0.0234 0.03 0.145 0.216 0.43 0.085 0.135061435973353 0.260131996854119 0.4161 0.8299 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I09 compound treatment 0.0 0.129 0.18 0.075 0.146 0.29 -0.267 -0.216938564026647 -0.417829571026113 0.0319 0.0591 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I10 compound treatment -0.192 -0.0626 -0.09 -0.759 -0.688 -1.36 -0.756 -0.705938564026647 -1.35965686276882 -1.6202 -0.8423 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I11 compound treatment 0.055 0.184 0.26 0.245 0.316 0.62 -0.306 -0.255938564026647 -0.492944631103752 0.2275 0.2715 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I12 compound treatment 0.112 0.241 0.34 0.193 0.264 0.52 0.158 0.208061435973353 0.400731981102008 0.731 0.9847 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I13 compound treatment -0.167 -0.0376 -0.05 -0.333 -0.262 -0.52 -0.223 -0.172938564026647 -0.333084375041084 -0.5213 -0.8451 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I14 compound treatment 0.103 0.232 0.33 0.159 0.23 0.46 -0.053 -0.002938564026647 -0.00565975418983537 0.4502 0.8006 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I15 compound treatment 4.39 4.52 2.5 0.143 0.214 0.42 2.482 2.53206143597335 2.87432271480768 3.3481 0.8733 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I16 compound treatment -0.43 -0.301 -0.43 0.225 0.296 0.59 -0.212 -0.161938564026647 -0.311898076044827 -0.0889 -0.1127 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I17 compound treatment -0.415 -0.286 -0.41 -0.913 -0.842 -1.66 -1.027 -0.976938564026647 -1.88161022894934 -2.2801 -0.8967 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I18 compound treatment -0.03 0.0994 0.14 0.615 0.686 1.36 0.346 0.396061435973353 0.762825091219859 1.3045 0.8353 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I19 compound treatment -0.172 -0.0426 -0.06 -0.736 -0.665 -1.31 -0.768 -0.717938564026647 -1.38276918894656 -1.5909 -0.8341 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I20 compound treatment 0.145 0.274 0.39 0.164 0.235 0.46 -0.037 0.013061435973353 0.0251566807138115 0.5082 0.8366 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I21 mock treatment 0.008 0.137 0.2 0.068 0.139 0.28 -0.695 -0.644938564026647 -1.24216920469867 -0.4454 -0.346 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I22 mock treatment -0.494 -0.365 -0.52 -0.564 -0.493 -0.97 -0.516 -0.465938564026647 -0.897410339214118 -1.3789 -0.9702 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I23 compound treatment -0.273 -0.144 -0.2 -0.079 -0.00756 -0.01 -0.41 -0.359938564026647 -0.693251457977457 -0.5267 -0.7287 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 I24 compound treatment -0.205 -0.0756 -0.11 -0.351 -0.28 -0.55 -0.269 -0.218938564026647 -0.421681625389069 -0.6242 -0.888 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J01 compound treatment -0.754 -0.625 -0.89 -0.386 -0.315 -0.62 -0.371 -0.320938564026647 -0.618136397899818 -1.2282 -0.9844 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J02 mock treatment -0.618 -0.489 -0.69 -0.652 -0.581 -1.15 -0.538 -0.487938564026647 -0.939782937206632 -1.6055 -0.9807 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J03 compound treatment -0.03 0.0994 0.14 -0.167 -0.0956 -0.19 -0.357 -0.306938564026647 -0.591172017359127 -0.3687 -0.5792 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J04 mock treatment -0.786 -0.657 -0.93 0.161 0.232 0.46 -0.562 -0.511938564026647 -0.986007589562103 -0.8433 -0.5883 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J05 mock treatment -0.351 -0.222 -0.32 -0.223 -0.152 -0.3 -0.464 -0.413938564026647 -0.797256925777265 -0.815 -0.8976 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J06 mock treatment -0.419 -0.29 -0.41 -0.122 -0.0506 -0.1 0.138 0.188061435973353 0.36221143747245 -0.0862 -0.1547 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J07 compound treatment 0.072 0.201 0.29 0.516 0.587 1.16 -0.376 -0.325938564026647 -0.627766533807207 0.4726 0.3501 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J08 mock treatment -0.177 -0.0476 -0.07 -0.224 -0.153 -0.3 -0.654 -0.603938564026647 -1.16320209025807 -0.8846 -0.735 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J09 compound treatment -0.108 0.0214 0.03 -0.161 -0.0896 -0.18 -0.135 -0.084938564026647 -0.163593983071026 -0.179 -0.7371 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J10 mock treatment 0.182 0.311 0.44 -0.571 -0.5 -0.99 -1.107 -1.05693856402665 -2.03569240346758 -1.4892 -0.6461 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J11 compound treatment 2.275 2.4 2.14 -0.141 -0.0696 -0.14 2.877 2.92706143597335 3.00038007284033 2.886 0.7831 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J12 mock treatment 0.101 0.23 0.33 -0.35 -0.279 -0.55 -0.44 -0.389938564026647 -0.751032273421795 -0.562 -0.5695 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J13 compound treatment -0.723 -0.594 -0.84 -0.632 -0.561 -1.11 -0.46 -0.409938564026647 -0.789552817051354 -1.5821 -0.9887 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J14 mock treatment -0.338 -0.209 -0.3 -0.318 -0.247 -0.49 0.198 0.248061435973353 0.477773068361126 -0.1765 -0.2372 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J15 compound treatment 0.277 0.406 0.58 0.167 0.238 0.47 -0.304 -0.253938564026647 -0.489092576740796 0.323 0.3624 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J16 mock treatment -0.761 -0.632 -0.9 -0.25 -0.179 -0.35 -1.089 -1.03893856402665 -2.00102391420097 -1.8773 -0.8451 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J17 compound treatment -0.442 -0.313 -0.44 -0.178 -0.107 -0.21 -0.361 -0.310938564026647 -0.598876126085038 -0.7238 -0.9341 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J18 mock treatment -0.629 -0.5 -0.71 -0.241 -0.17 -0.33 0.0 0.050061435973353 0.096419686428495 -0.5477 -0.6923 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J19 compound treatment -0.05 0.0794 0.11 -0.22 -0.149 -0.29 -0.5 -0.449938564026647 -0.866593904310471 -0.6045 -0.6558 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J20 mock treatment -0.424 -0.295 -0.42 -0.187 -0.116 -0.23 -1.123 -1.07293856402665 -2.06650883837122 -1.5667 -0.7387 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J21 mock treatment -0.266 -0.137 -0.19 -0.268 -0.197 -0.39 -0.597 -0.546938564026647 -1.05341854091383 -0.9444 -0.8289 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J22 mock treatment -0.037 0.0924 0.13 -0.638 -0.567 -1.12 -1.076 -1.02593856402665 -1.97598556084176 -1.7109 -0.7522 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J23 mock treatment -0.849 -0.72 -1.02 -0.344 -0.273 -0.54 -0.95 -0.899938564026647 -1.73330613597554 -1.9021 -0.913 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 J24 mock treatment 0.156 0.285 0.41 -0.542 -0.471 -0.93 -0.985 -0.934938564026647 -1.80071708732727 -1.3418 -0.6493 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K01 compound treatment -1.018 -0.889 -1.26 -0.47 -0.399 -0.79 -0.493 -0.442938564026647 -0.853111714040125 -1.6763 -0.9771 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K02 compound treatment 0.879 1.01 1.43 -0.184 -0.113 -0.22 0.067 0.117061435973353 0.225463507587516 0.8296 0.565 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K03 compound treatment -0.278 -0.149 -0.21 -0.113 -0.0416 -0.08 -0.493 -0.442938564026647 -0.853111714040125 -0.6619 -0.7499 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K04 compound treatment -0.642 -0.513 -0.73 0.025 0.0964 0.19 -0.519 -0.468938564026647 -0.903188420758552 -0.8323 -0.7077 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K05 compound treatment -0.027 0.102 0.15 0.067 0.138 0.27 -0.398 -0.347938564026647 -0.670139131799722 -0.145 -0.1964 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K06 compound treatment 0.408 0.537 0.76 0.303 0.374 0.74 0.271 0.321061435973353 0.618373052609015 1.225 0.996 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K07 mock treatment -0.118 0.0114 0.02 -0.594 -0.523 -1.03 -0.62 -0.569938564026647 -1.09771716608782 -1.2201 -0.8098 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K08 mock treatment -0.111 0.0184 0.03 -0.254 -0.183 -0.36 -0.712 -0.661938564026647 -1.27491166678379 -0.9291 -0.7011 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K09 compound treatment 0.164 0.293 0.42 0.145 0.216 0.43 -0.054 -0.003938564026647 -0.0075857813713133 0.4832 0.809 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K10 compound treatment -0.312 -0.183 -0.26 0.429 0.5 0.99 0.149 0.199061435973353 0.383397736468707 0.642 0.5883 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K11 compound treatment 0.111 0.24 0.34 0.69 0.761 1.5 0.516 0.566061435973353 1.09024971207111 1.6948 0.8975 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K12 compound treatment 0.305 0.434 0.62 0.254 0.325 0.64 0.381 0.431061435973353 0.830236042571587 1.2069 0.9909 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K13 compound treatment 0.679 0.808 1.15 0.171 0.242 0.48 0.167 0.217061435973353 0.41806622573531 1.1813 0.8995 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K14 compound treatment 0.138 0.267 0.38 0.76 0.831 1.64 0.183 0.233061435973353 0.448882660638956 1.4265 0.818 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K15 mock treatment -0.295 -0.166 -0.24 -0.194 -0.123 -0.24 -0.382 -0.331938564026647 -0.639322696896075 -0.6448 -0.8918 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K16 mock treatment -0.321 -0.192 -0.27 -0.112 -0.0406 -0.08 -0.129 -0.078938564026647 -0.152037819982158 -0.2913 -0.9044 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K17 compound treatment -0.167 -0.0376 -0.05 -0.267 -0.196 -0.39 -0.565 -0.514938564026647 -0.991785671106536 -0.8264 -0.7755 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K18 compound treatment -0.176 -0.0466 -0.07 -0.083 -0.0116 -0.02 0.018 0.068061435973353 0.131088175695098 0.0243 0.1632 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K19 compound treatment 0.806 0.935 1.33 0.687 0.758 1.5 0.632 0.682061435973353 1.31366886512255 2.3909 0.9982 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K20 compound treatment 0.2 0.329 0.47 -0.031 0.0404 0.08 0.268 0.318061435973353 0.612594971064581 0.6702 0.8645 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K21 compound treatment -0.078 0.0514 0.07 -0.375 -0.304 -0.6 -0.845 -0.794938564026647 -1.53107328192036 -1.1878 -0.7217 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K22 compound treatment 0.313 0.442 0.63 0.181 0.252 0.5 0.273 0.323061435973353 0.62222510697197 1.0102 0.9947 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K23 mock treatment -0.072 0.0574 0.08 -0.276 -0.205 -0.4 -0.42 -0.369938564026647 -0.712511729792236 -0.5974 -0.7259 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 K24 mock treatment -0.369 -0.24 -0.34 -0.157 -0.0856 -0.17 -0.646 -0.595938564026647 -1.14779387280625 -0.9569 -0.7914 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L01 compound treatment -0.073 0.0564 0.08 0.265 0.336 0.66 -0.119 -0.068938564026647 -0.132777548167379 0.3532 0.5177 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L02 mock treatment -0.612 -0.483 -0.69 -0.662 -0.591 -1.17 -0.348 -0.297938564026647 -0.573837772725825 -1.4007 -0.9531 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L03 compound treatment -0.451 -0.322 -0.46 -0.896 -0.825 -1.63 -0.902 -0.851938564026647 -1.6408568312646 -2.1513 -0.913 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L04 mock treatment -0.478 -0.349 -0.5 -0.727 -0.656 -1.29 -0.571 -0.520938564026647 -1.0033418341954 -1.6128 -0.9425 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L05 compound treatment 0.789 0.918 1.31 0.333 0.404 0.8 0.153 0.203061435973353 0.391101845194619 1.4407 0.912 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L06 mock treatment -0.121 0.00841 0.01 -0.545 -0.474 -0.94 -0.561 -0.510938564026647 -0.984081562380625 -1.1011 -0.8111 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L07 mock treatment 0.252 0.381 0.54 -0.286 -0.215 -0.42 -0.21 -0.159938564026647 -0.308046021681871 -0.1094 -0.1451 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L08 mock treatment 0.253 0.382 0.54 -0.258 -0.187 -0.37 -0.278 -0.227938564026647 -0.43901587002237 -0.1522 -0.1927 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L09 compound treatment -0.327 -0.198 -0.28 0.54 0.611 1.21 -0.123 -0.072938564026647 -0.140481656893291 0.4537 0.3637 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L10 mock treatment 0.687 0.816 1.16 0.08 0.151 0.3 -0.107 -0.056938564026647 -0.109665221989644 0.7795 0.6476 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L11 compound treatment -0.302 -0.173 -0.25 -0.608 -0.537 -1.06 -0.134 -0.083938564026647 -0.161667955889548 -0.8467 -0.7701 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L12 mock treatment -0.111 0.0184 0.03 -0.342 -0.271 -0.53 -0.152 -0.101938564026647 -0.196336445156151 -0.4067 -0.7138 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L13 compound treatment -0.208 -0.0786 -0.11 -0.382 -0.311 -0.61 -0.094 -0.043938564026647 -0.0846268686304306 -0.4674 -0.7431 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L14 mock treatment -0.26 -0.131 -0.19 -0.507 -0.436 -0.86 -0.429 -0.378938564026647 -0.729845974425538 -1.0251 -0.8967 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L15 mock treatment -0.191 -0.0616 -0.09 -0.328 -0.257 -0.51 -0.586 -0.535938564026647 -1.03223224191757 -0.939 -0.8143 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L16 mock treatment -0.511 -0.382 -0.54 -0.545 -0.474 -0.94 -0.559 -0.508938564026647 -0.980229508017669 -1.419 -0.9724 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L17 compound treatment -0.424 -0.295 -0.42 -0.358 -0.287 -0.57 -0.484 -0.433938564026647 -0.835777469406824 -1.051 -0.9618 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L18 mock treatment 0.162 0.291 0.41 0.03 0.101 0.2 -0.694 -0.643938564026647 -1.24024317751719 -0.3612 -0.2731 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L19 compound treatment -0.25 -0.121 -0.17 0.454 0.525 1.04 -0.275 -0.224938564026647 -0.433237788477936 0.2499 0.2197 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L20 mock treatment 0.184 0.313 0.45 -0.095 -0.0236 -0.05 0.166 0.216061435973353 0.416140198553832 0.4707 0.7697 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L21 compound treatment -0.529 -0.4 -0.57 0.04 0.111 0.22 -0.326 -0.275938564026647 -0.531465174733311 -0.5078 -0.6281 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L22 mock treatment 0.39 0.519 0.74 -0.364 -0.293 -0.58 -0.154 -0.103938564026647 -0.200188499519106 -0.0227 -0.0237 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L23 mock treatment -0.157 -0.0276 -0.04 -0.198 -0.127 -0.25 -0.13 -0.079938564026647 -0.153963847163636 -0.2558 -0.8639 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 L24 mock treatment -0.464 -0.335 -0.48 -0.827 -0.756 -1.49 -0.379 -0.328938564026647 -0.633544615351641 -1.5018 -0.889 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M01 compound treatment -0.569 -0.44 -0.63 -0.235 -0.164 -0.32 0.15 0.200061435973353 0.385323763650185 -0.3248 -0.405 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M02 compound treatment 0.138 0.267 0.38 0.139 0.21 0.42 -1.985 -1.93493856402665 -3.7267442688052 -1.6922 -0.449 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M03 compound treatment 0.187 0.316 0.45 -0.161 -0.0896 -0.18 0.052 0.102061435973353 0.196573099865347 0.2711 0.5196 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M04 compound treatment 1.275 1.4 1.76 1.047 1.12 2.16 1.095 1.14506143597335 2.1094074848175 3.4838 0.9962 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M05 compound treatment -0.369 -0.24 -0.34 0.612 0.683 1.35 -0.349 -0.298938564026647 -0.575763799907303 0.25 0.166 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M06 compound treatment 0.033 0.162 0.23 0.271 0.342 0.68 -0.167 -0.116938564026647 -0.22522685287832 0.3937 0.5255 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M07 compound treatment -0.056 0.0734 0.1 0.51 0.581 1.15 0.39 0.440061435973353 0.847570287204888 1.2124 0.8474 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M08 compound treatment 0.014 0.143 0.2 -0.208 -0.137 -0.27 -0.434 -0.383938564026647 -0.739476110332927 -0.4649 -0.5718 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M09 mock treatment -0.015 0.114 0.16 0.092 0.163 0.32 0.092 0.142061435973353 0.273614187124465 0.4382 0.9667 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M10 mock treatment -0.325 -0.196 -0.28 -0.368 -0.297 -0.59 -0.383 -0.332938564026647 -0.641248724077553 -0.8689 -0.9529 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M11 compound treatment 0.03 0.159 0.23 -0.575 -0.504 -0.99 0.183 0.233061435973353 0.448882660638956 -0.184 -0.1652 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M12 compound treatment -0.012 0.117 0.17 -0.083 -0.0116 -0.02 -0.99 -0.939938564026647 -1.81034722323466 -0.962 -0.5291 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M13 mock treatment -0.377 -0.248 -0.35 -0.46 -0.389 -0.77 0.038 0.088061435973353 0.169608719324656 -0.5483 -0.6368 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M14 mock treatment -0.058 0.0714 0.1 -0.296 -0.225 -0.44 -0.136 -0.085938564026647 -0.165520010252504 -0.2929 -0.6052 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M15 compound treatment 0.169 0.298 0.42 -0.156 -0.0846 -0.17 -0.221 -0.170938564026647 -0.329232320678128 -0.0415 -0.0738 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M16 compound treatment -0.282 -0.153 -0.22 -0.167 -0.0956 -0.19 0.092 0.142061435973353 0.273614187124465 -0.0762 -0.192 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M17 compound treatment 0.227 0.356 0.51 0.635 0.706 1.39 0.76 0.810061435973353 1.56020034435172 1.9987 0.9282 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M18 compound treatment -0.443 -0.314 -0.45 -0.386 -0.315 -0.62 -0.893 -0.842938564026647 -1.6235225866313 -1.5534 -0.8656 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M19 compound treatment 0.157 0.286 0.41 -0.135 -0.0636 -0.13 -0.464 -0.413938564026647 -0.797256925777265 -0.2977 -0.3293 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M20 compound treatment 0.632 0.761 1.08 0.648 0.719 1.42 0.944 0.994061435973353 1.91458934574366 2.5506 0.9741 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M21 compound treatment -0.011 0.118 0.17 0.129 0.2 0.4 -0.345 -0.294938564026647 -0.568059691181391 -0.0023 -0.0032 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M22 compound treatment 0.057 0.186 0.27 -0.328 -0.257 -0.51 -0.36 -0.309938564026647 -0.59695009890356 -0.4841 -0.5857 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M23 compound treatment 0.112 0.241 0.34 -0.445 -0.374 -0.74 -0.474 -0.423938564026647 -0.816517197592045 -0.6991 -0.6065 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 M24 compound treatment -0.18 -0.0506 -0.07 -0.357 -0.286 -0.56 -0.149 -0.098938564026647 -0.190558363611717 -0.4771 -0.7958 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N01 compound treatment -0.508 -0.379 -0.54 -0.772 -0.701 -1.38 -0.452 -0.401938564026647 -0.77414459959953 -1.5564 -0.9297 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N02 mock treatment -0.364 -0.235 -0.33 -0.426 -0.355 -0.7 -0.684 -0.633938564026647 -1.22098290570241 -1.3017 -0.8999 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N03 compound treatment -1.0 -0.871 -1.24 -0.65 -0.579 -1.14 -0.956 -0.905938564026647 -1.74486229906441 -2.3816 -0.982 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N04 mock treatment -0.603 -0.474 -0.67 -0.244 -0.173 -0.34 -0.512 -0.461938564026647 -0.889706230488206 -1.0991 -0.9421 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N05 compound treatment 2.444 2.57 2.18 1.76 1.83 2.66 2.337 2.38706143597335 2.82146277112094 4.4218 0.9943 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N06 mock treatment -0.758 -0.629 -0.89 -0.259 -0.188 -0.37 -0.562 -0.511938564026647 -0.986007589562103 -1.2991 -0.9404 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N07 compound treatment 0.128 0.257 0.37 0.02 0.0914 0.18 -0.082 -0.031938564026647 -0.0615145424526954 0.28 0.6785 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N08 mock treatment -0.098 0.0314 0.04 -0.396 -0.325 -0.64 -0.986 -0.935938564026647 -1.80264311450875 -1.385 -0.7237 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N09 mock treatment -0.37 -0.241 -0.34 -0.526 -0.455 -0.9 -0.064 -0.013938564026647 -0.0268460531860926 -0.7312 -0.7609 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N10 mock treatment -0.24 -0.111 -0.16 -0.526 -0.455 -0.9 -0.613 -0.562938564026647 -1.08423497581748 -1.235 -0.872 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N11 compound treatment -0.562 -0.433 -0.62 -0.048 0.0234 0.05 -0.545 -0.494938564026647 -0.953265127476978 -0.8787 -0.774 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N12 mock treatment -0.631 -0.502 -0.71 -0.492 -0.421 -0.83 -0.986 -0.935938564026647 -1.80264311450875 -1.9319 -0.9161 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N13 mock treatment -0.435 -0.306 -0.43 -0.404 -0.333 -0.66 -0.349 -0.298938564026647 -0.575763799907303 -0.9624 -0.9866 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N14 mock treatment -0.247 -0.118 -0.17 -0.21 -0.139 -0.27 -1.253 -1.20293856402665 -2.31689237196335 -1.5921 -0.6807 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N15 compound treatment -0.29 -0.161 -0.23 0.0 0.0714 0.14 -0.352 -0.301938564026647 -0.581541881451737 -0.3861 -0.6029 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N16 mock treatment -0.662 -0.533 -0.76 0.064 0.135 0.27 -0.732 -0.681938564026647 -1.31343221041335 -1.0411 -0.6763 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N17 compound treatment -0.546 -0.417 -0.59 -0.521 -0.45 -0.89 -0.414 -0.363938564026647 -0.700955566703369 -1.2592 -0.9862 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N18 mock treatment 0.18 0.309 0.44 0.071 0.142 0.28 0.167 0.217061435973353 0.41806622573531 0.6577 0.9833 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N19 compound treatment -0.049 0.0804 0.11 -0.16 -0.0886 -0.17 -0.597 -0.546938564026647 -1.05341854091383 -0.6431 -0.5989 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N20 mock treatment -1.0 -0.871 -1.24 -0.889 -0.818 -1.61 -0.642 -0.591938564026647 -1.14008976408034 -2.3049 -0.9884 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N21 compound treatment -0.19 -0.0606 -0.09 0.237 0.308 0.61 0.103 0.153061435973353 0.294800486120722 0.4721 0.6921 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N22 mock treatment -0.26 -0.131 -0.19 -0.508 -0.437 -0.86 -0.532 -0.481938564026647 -0.928226774117765 -1.1408 -0.891 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N23 mock treatment -0.348 -0.219 -0.31 -0.224 -0.153 -0.3 -0.926 -0.875938564026647 -1.68708148362007 -1.3274 -0.7621 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 N24 mock treatment 0.043 0.172 0.25 -0.656 -0.585 -1.15 -1.0 -0.949938564026647 -1.82960749504944 -1.5812 -0.7263 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O01 compound treatment -0.035 0.0944 0.13 0.246 0.317 0.63 -0.108 -0.057938564026647 -0.111591249171122 0.3749 0.5763 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O02 compound treatment 0.565 0.694 0.99 0.4 0.471 0.93 0.0 0.050061435973353 0.096419686428495 1.1631 0.855 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O03 compound treatment 0.652 0.781 1.11 0.274 0.345 0.68 0.217 0.267061435973353 0.514367584809206 1.3322 0.9506 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O04 compound treatment 0.904 1.03 1.47 -0.233 -0.162 -0.32 -0.276 -0.225938564026647 -0.435163815659414 0.4129 0.2638 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O05 compound treatment -0.224 -0.0946 -0.13 -0.453 -0.382 -0.75 -0.06 -0.009938564026647 -0.0191419444601809 -0.5237 -0.684 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O06 compound treatment -0.244 -0.115 -0.16 -0.078 -0.00656 -0.01 -0.178 -0.127938564026647 -0.246413151874577 -0.2438 -0.8246 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O07 compound treatment 0.183 0.312 0.44 0.254 0.325 0.64 0.561 0.611061435973353 1.17692093523761 1.3069 0.9252 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O08 compound treatment 0.436 0.565 0.8 0.661 0.732 1.45 0.714 0.764061435973353 1.47160309400374 2.1487 0.9704 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O09 compound treatment 0.53 0.659 0.94 0.478 0.549 1.08 0.093 0.143061435973353 0.275540214305943 1.3267 0.9087 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O10 compound treatment -0.147 -0.0176 -0.03 -0.654 -0.583 -1.15 -0.049 0.00106143597335299 0.00204435453607635 -0.6774 -0.5887 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O11 mock treatment -0.514 -0.385 -0.55 -0.295 -0.224 -0.44 0.735 0.785061435973353 1.51204966481477 0.3024 0.1814 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O12 mock treatment 0.4 0.529 0.75 -0.167 -0.0956 -0.19 -0.553 -0.502938564026647 -0.968673344928801 -0.2336 -0.1882 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O13 compound treatment -0.768 -0.639 -0.91 -1.014 -0.943 -1.86 -1.692 -1.64193856402665 -3.16241830463217 -3.4245 -0.9059 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O14 compound treatment 0.217 0.346 0.49 0.387 0.458 0.91 -0.2 -0.149938564026647 -0.288785749867091 0.6402 0.5982 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O15 compound treatment -0.159 -0.0296 -0.04 -0.061 0.0104 0.02 -0.716 -0.665938564026647 -1.2826157755097 -0.7529 -0.5866 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O16 compound treatment -0.47 -0.341 -0.48 -0.213 -0.142 -0.28 -0.388 -0.337938564026647 -0.650878859984943 -0.8167 -0.9518 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O17 compound treatment -0.036 0.0934 0.13 -0.187 -0.116 -0.23 -0.108 -0.057938564026647 -0.111591249171122 -0.1195 -0.4169 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O18 compound treatment -0.322 -0.193 -0.27 -0.391 -0.32 -0.63 -0.191 -0.140938564026647 -0.27145150523379 -0.6791 -0.9184 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O19 compound treatment -0.267 -0.138 -0.2 -0.218 -0.147 -0.29 -0.237 -0.186938564026647 -0.360048755581775 -0.4879 -0.9726 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O20 compound treatment 0.186 0.315 0.45 0.642 0.713 1.41 0.178 0.228061435973353 0.439252524731567 1.3258 0.8597 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O21 compound treatment -0.257 -0.128 -0.18 -0.3 -0.229 -0.45 -0.234 -0.183938564026647 -0.354270674037341 -0.5698 -0.947 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O22 compound treatment 0.254 0.383 0.55 -0.37 -0.299 -0.59 -0.683 -0.632938564026647 -1.21905687852093 -0.7295 -0.4997 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O23 compound treatment -0.149 -0.0196 -0.03 -0.562 -0.491 -0.97 -0.409 -0.358938564026647 -0.691325430795979 -0.9745 -0.8186 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 O24 compound treatment -0.016 0.113 0.16 -0.292 -0.221 -0.44 -0.408 -0.357938564026647 -0.689399403614501 -0.5564 -0.6693 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P01 compound treatment -0.269 -0.14 -0.2 -0.194 -0.123 -0.24 0.086 0.136061435973353 0.262058024035597 -0.103 -0.2523 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P02 mock treatment -0.289 -0.16 -0.23 -0.365 -0.294 -0.58 -0.095 -0.044938564026647 -0.0865528958119085 -0.5156 -0.8205 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P03 compound treatment -0.356 -0.227 -0.32 -0.613 -0.542 -1.07 -0.404 -0.353938564026647 -0.681695294888589 -1.197 -0.9148 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P04 mock treatment -0.178 -0.0486 -0.07 -0.242 -0.171 -0.34 -0.169 -0.118938564026647 -0.229078907241275 -0.3666 -0.8874 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P05 compound treatment -0.23 -0.101 -0.14 -0.557 -0.486 -0.96 -0.969 -0.918938564026647 -1.76990065242362 -1.658 -0.8216 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P06 mock treatment 0.113 0.242 0.34 -0.098 -0.0266 -0.05 -1.0 -0.949938564026647 -1.82960749504944 -0.8876 -0.4766 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P07 compound treatment -0.147 -0.0176 -0.03 0.375 0.446 0.88 -0.378 -0.327938564026647 -0.631618588170163 0.1298 0.1197 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P08 mock treatment -0.082 0.0474 0.07 -0.561 -0.49 -0.97 -0.425 -0.374938564026647 -0.722141865699626 -0.9361 -0.7746 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P09 compound treatment -0.23 -0.101 -0.14 -0.239 -0.168 -0.33 -0.081 -0.030938564026647 -0.0595885152712175 -0.308 -0.843 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P10 mock treatment 0.138 0.267 0.38 0.024 0.0954 0.19 0.041 0.091061435973353 0.17538680086909 0.4296 0.9356 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P11 mock treatment 0.28 0.409 0.58 -0.179 -0.108 -0.21 -0.047 0.003061435973353 0.00589640889903222 0.2169 0.35 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P12 mock treatment -0.132 -0.00259 0.0 -0.212 -0.141 -0.28 0.066 0.116061435973353 0.223537480406039 -0.0333 -0.0935 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P13 compound treatment -0.32 -0.191 -0.27 0.275 0.346 0.68 0.407 0.457061435973353 0.880312749290013 0.7467 0.6509 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P14 mock treatment -0.386 -0.257 -0.36 -0.395 -0.324 -0.64 0.048 0.098061435973353 0.188868991139436 -0.4704 -0.6194 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P15 compound treatment -0.217 -0.0876 -0.12 -0.034 0.0374 0.07 -0.145 -0.094938564026647 -0.182854254885805 -0.1348 -0.5779 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P16 mock treatment -0.511 -0.382 -0.54 -0.353 -0.282 -0.56 -0.143 -0.092938564026647 -0.179002200522849 -0.7376 -0.9252 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P17 compound treatment -0.053 0.0764 0.11 -0.446 -0.375 -0.74 -0.651 -0.600938564026647 -1.15742400871364 -1.0325 -0.7494 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P18 mock treatment 0.047 0.176 0.25 -0.981 -0.91 -1.8 -0.779 -0.728938564026647 -1.40395548794281 -1.7027 -0.7424 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P19 compound treatment 0.357 0.486 0.69 0.0 0.0714 0.14 0.699 0.749061435973353 1.44271268628157 1.3137 0.8179 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 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P20 mock treatment 0.0 0.129 0.18 -0.464 -0.393 -0.78 -0.817 -0.766938564026647 -1.47714452083898 -1.1941 -0.7115 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P21 compound treatment 0.0 0.129 0.18 -0.131 -0.0596 -0.12 0.027 0.077061435973353 0.148422420328399 0.124 0.4697 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P22 mock treatment 0.171 0.3 0.43 -0.469 -0.398 -0.78 -0.659 -0.608938564026647 -1.17283222616546 -0.8838 -0.5994 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P23 mock treatment 0.078 0.207 0.29 -0.18 -0.109 -0.21 0.241 0.291061435973353 0.560592237164677 0.3702 0.5535 1130.0004 ManualSNR(1130.0004) Human Hb-EGF 1130.0004.2297 P24 mock treatment -0.185 -0.0556 -0.08 -0.303 -0.232 -0.46 -0.448 -0.397938564026647 -0.766440490873618 -0.7521 -0.8395