ASSAY_ID ASSAY PROJECT PLATE WELL WELL_TYPE RAW_VALUE_A BSUB_VALUE_A Z_SCORE_A RAW_VALUE_B BSUB_VALUE_B Z_SCORE_B COMPOSITE_Z REPRODUCIBILITY CHEMBANK_ID VIRTUAL_ID SMILES 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A01 compound treatment 0.42 -0.0109 -0.52 0.428 -0.00106 -0.06 -0.4118 -0.7884 3026305 ChemDiv3_005985 CC1C=C(C)CC2C1C(=O)N(C2=O)c3ccc[n+](C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A02 compound treatment 0.429 -0.00188 -0.09 0.438 0.00894 0.54 0.3173 0.5817 1470316 ChemDiv3_005986 CC1Cc2ccccc2N1C(=O)c3ccc(COc4ccc(C)c(C)c4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A03 compound treatment 0.434 0.00312 0.15 0.422 -0.00706 -0.43 -0.1953 -0.4336 3120082 ChemDiv3_005987 CC1CC(C)(C)OC(C[N+]2(C)CCCCC2)O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A04 compound treatment 0.487 0.0561 2.68 0.476 0.0469 2.83 3.8902 0.9996 3026306 ChemDiv3_005988 CN(C)c1ccc2sc(S)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A05 compound treatment 0.43 -8.75E-4 -0.04 0.429 -6.25E-5 0.0 -0.0322 -0.7678 3026307 ChemDiv3_005989 NNc1nc(cc(n1)C(F)(F)F)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A06 compound treatment 0.849 0.418 19.93 0.835 0.406 24.44 31.3767 0.9949 3120083 ChemDiv3_005990 OC(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A07 compound treatment 0.434 0.00312 0.15 0.418 -0.0111 -0.67 -0.3656 -0.5357 3120084 ChemDiv3_005991 Nn1c(CCCc2nc3ccccc3c(=O)n2N)nc4ccccc4c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A08 compound treatment 0.481 0.0501 2.39 0.481 0.0519 3.13 3.9008 0.9912 3026308 ChemDiv3_005992 CC1CCC/C(=C\Nc2ccc(cc2C)C(=O)O)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A09 compound treatment 0.44 0.00912 0.43 0.445 0.0159 0.96 0.9861 0.936 1620261 ChemDiv3_005993 COc1ccc(NC(=O)c2ccc(COc3ccc(cc3)C(C)C)o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A10 compound treatment 0.427 -0.00388 -0.18 0.428 -0.00106 -0.06 -0.1759 -0.8996 3026309 ChemDiv3_005994 O=C(Nc1nncs1)C2CC(=O)OC2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A11 compound treatment 0.432 0.00112 0.05 0.438 0.00894 0.54 0.4184 0.7737 1567947 ChemDiv3_005995 Brc1cnn(Cc2ccc(o2)C(=O)NCc3ccccn3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A12 compound treatment 0.432 0.00112 0.05 0.444 0.0149 0.9 0.6739 0.7479 3026310 ChemDiv3_005996 Cc1cc(C)c2c(cc(O)nc2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A13 compound treatment 0.429 -0.00188 -0.09 0.422 -0.00706 -0.43 -0.3639 -0.8374 1123919 ChemDiv3_005997 COC(=O)c1ccc(COc2ccccc2OC)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A14 compound treatment 0.421 -0.00988 -0.47 0.424 -0.00506 -0.3 -0.5484 -0.9779 3120085 ChemDiv3_005998 CC1(C)CC(=C(C(=O)C1)C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A15 compound treatment 0.465 0.0341 1.63 0.471 0.0419 2.53 2.9358 0.9774 1560602 ChemDiv3_005999 Cc1cccc2sc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A16 compound treatment 0.426 -0.00488 -0.23 0.432 0.00294 0.18 -0.0393 -0.1344 1019709 ChemDiv3_006000 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A17 compound treatment 0.421 -0.00988 -0.47 0.423 -0.00606 -0.37 -0.591 -0.9921 1517127 ChemDiv3_006001 OC(=O)c1ccc(Cn2cccn2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A18 compound treatment 0.429 -0.00188 -0.09 0.428 -0.00106 -0.06 -0.1084 -0.9866 3026361 ChemDiv3_006002 O=C1N(NS(=O)(=O)c2ccccc2)C(Nc3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A19 compound treatment 0.466 0.0351 1.67 0.476 0.0469 2.83 3.1823 0.9688 3026362 ChemDiv3_006003 CC(C)c1ccc(OCc2ccc(cc2)C(=O)NCc3ccco3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A20 compound treatment 0.464 0.0331 1.58 0.459 0.0299 1.8 2.3911 0.9978 3026363 ChemDiv3_006004 CSCCC(N1C(=O)/C(=C/c2cccnc2)/SC1=S)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A21 compound treatment 0.428 -0.00288 -0.14 0.433 0.00394 0.24 0.0707 0.2583 1636669 ChemDiv3_006005 Cc1ccc(OCc2ccc(o2)C(=O)Nc3nccs3)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A22 compound treatment 0.42 -0.0109 -0.52 0.416 -0.0131 -0.79 -0.9227 -0.9795 3026364 ChemDiv3_006006 Cc1nc(N)[nH]c(=O)c1CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A23 mock treatment 0.42 -0.0109 -0.52 0.419 -0.0101 -0.61 -0.795 -0.997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 A24 mock treatment 0.417 -0.0139 -0.66 0.417 -0.0121 -0.73 -0.9813 -0.9989 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B01 compound treatment 0.448 0.0171 0.82 0.453 0.0239 1.44 1.5964 0.9638 3026365 ChemDiv3_006007 CC(C)(C)c1nc(c(NCc2ccccc2)o1)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B02 compound treatment 0.426 -0.00488 -0.23 0.425 -0.00406 -0.24 -0.3373 -0.9997 1058723 ChemDiv3_006008 COc1ccc(NCc2ccccc2O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B03 compound treatment 0.533 0.102 4.87 0.511 0.0819 4.93 6.9309 1.0 3120086 ChemDiv3_006009 Cc1cc(C)c(N(CC(O)Cn2c3ccccc3c4ccccc24)S(=O)(=O)C)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B04 compound treatment 0.441 0.0101 0.48 0.434 0.00494 0.3 0.5515 0.9729 3026366 ChemDiv3_006010 C=CCSc1n[nH]c(=O)[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B05 compound treatment 0.441 0.0101 0.48 0.439 0.00994 0.6 0.7644 0.9943 3026367 ChemDiv3_006011 NC(=O)C1CCCN(C1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B06 compound treatment 0.484 0.0531 2.53 0.47 0.0409 2.46 3.5336 0.9999 3120087 ChemDiv3_006012 Cc1cccc(c1)N/2C3CS(=O)(=O)CC3S\C2=N\C(=O)c4ccc(Br)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B07 compound treatment 0.442 0.0111 0.53 0.434 0.00494 0.3 0.5852 0.9626 3026368 ChemDiv3_006013 COc1ccc(/C=C/C(=O)NCCNC2=NS(=O)(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B08 compound treatment 0.449 0.0181 0.86 0.445 0.0159 0.96 1.2895 0.9986 3120088 ChemDiv3_006014 COc1ccc(cc1OC)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B09 compound treatment 0.46 0.0291 1.39 0.476 0.0469 2.83 2.9801 0.9464 3117797 ChemDiv3_006015 CCc1ccc(cc1)C2CC(c3ccccc3)n4ncnc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B10 compound treatment 0.444 0.0131 0.63 0.444 0.0149 0.9 1.0784 0.9843 3026369 ChemDiv3_006016 Cn1nnnc1SCC(=O)NCc2cccc(c2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B11 compound treatment 0.466 0.0351 1.67 0.476 0.0469 2.83 3.1823 0.9688 3117798 ChemDiv3_006017 COc1ccc(cc1OC)c2cn3c(n2)n(N)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B12 compound treatment 0.449 0.0181 0.86 0.447 0.0179 1.08 1.3746 0.9939 3026370 ChemDiv3_006018 COc1ccccc1CNc2ccc(O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B13 compound treatment 0.442 0.0111 0.53 0.429 -6.25E-5 0.0 0.3723 0.7021 3117799 ChemDiv3_006019 Clc1ccc2[nH]c(=O)c(CN3CCCCC3)c(c4ccccc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B14 compound treatment 0.439 0.00812 0.39 0.431 0.00194 0.12 0.3564 0.881 3026371 ChemDiv3_006020 COc1cccc(CNC(C)c2ccccc2)c1OCc3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B15 compound treatment 0.446 0.0151 0.72 0.436 0.00694 0.42 0.8052 0.9663 3117800 ChemDiv3_006021 CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B16 compound treatment 0.517 0.0861 4.11 0.495 0.0659 3.97 5.7103 0.9999 3117801 ChemDiv3_006022 CCOc1ccc(cc1)c2nc(C#N)c(NCC(C)C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B17 compound treatment 0.479 0.0481 2.29 0.461 0.0319 1.92 2.9819 0.9961 3026372 ChemDiv3_006023 CCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B18 compound treatment 0.477 0.0461 2.2 0.466 0.0369 2.22 3.1274 1.0 3117802 ChemDiv3_006024 COc1ccc(CC(=O)Nc2ccc(cc2)c3nnc(S)s3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B19 compound treatment 0.55 0.119 5.68 0.515 0.0859 5.17 7.6742 0.9989 3026373 ChemDiv3_006025 Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B20 compound treatment 0.424 -0.00688 -0.33 0.422 -0.00706 -0.43 -0.5324 -0.9917 3117803 ChemDiv3_006026 Cc1ccc(cc1)C2=NNC(S2)c3cccc(C)n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B21 compound treatment 0.476 0.0451 2.15 0.476 0.0469 2.83 3.5194 0.9909 3117804 ChemDiv3_006027 Cc1ccc(cc1)C(=O)/C=c/2\[nH]c(=O)\c(=C\c3cccnc3)\s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B22 compound treatment 0.436 0.00512 0.24 0.432 0.00294 0.18 0.2978 0.9874 3026374 ChemDiv3_006028 COC(=O)c1c(NC(=O)CN2C(=O)c3cccc4cccc2c34)sc5CCCCc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B23 mock treatment 0.44 0.00912 0.43 0.439 0.00994 0.6 0.7307 0.9877 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 B24 mock treatment 0.43 -8.75E-4 -0.04 0.449 0.0199 1.2 0.8193 0.6821 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C01 compound treatment 0.415 -0.0159 -0.76 0.418 -0.0111 -0.67 -1.0061 -0.998 3117805 ChemDiv3_006029 C[N+]1(CCCC1)C2CCC3CCC2C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C02 compound treatment 0.422 -0.00888 -0.42 0.412 -0.0171 -1.03 -1.0256 -0.9231 1645761 ChemDiv3_006030 CN(C)S(=O)(=O)c1ccc(CCNC(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C03 compound treatment 0.419 -0.0119 -0.57 0.414 -0.0151 -0.91 -1.0416 -0.9743 3117806 ChemDiv3_006031 C1OC(OCC12COC(OC2)c3ccncc3)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C04 compound treatment 0.469 0.0381 1.82 0.445 0.0159 0.96 1.9636 0.9555 1262889 ChemDiv3_006032 CC1CCC2(CC1)Nc3ccccc3C(=O)N2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C05 compound treatment 0.419 -0.0119 -0.57 0.411 -0.0181 -1.09 -1.1693 -0.9537 3026375 ChemDiv3_006033 COc1nc(cc(n1)C(F)(F)F)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C06 compound treatment 0.607 0.176 8.4 0.581 0.152 9.15 12.4055 0.9991 3117807 ChemDiv3_006034 COc1ccccc1Oc2ccc(N/C=C/C(=O)c3ccco3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C07 compound treatment 0.419 -0.0119 -0.57 0.414 -0.0151 -0.91 -1.0416 -0.9743 3026376 ChemDiv3_006035 Cc1nn(CC(=O)O)c(C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C08 compound treatment 1.289 0.858 40.91 1.181 0.752 45.27 60.9389 0.9987 3117808 ChemDiv3_006036 CN(C)c1ccc(/C=[N+]/2\[N-]C(=O)C(NC(=O)c3ccc(F)cc3)C2c4ccc(C)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C09 compound treatment 0.474 0.0431 2.06 0.465 0.0359 2.16 2.9837 0.9997 3026377 ChemDiv3_006037 CC1Cc2ccc(F)cc2CN1C(=O)c3ccc(COc4ccccc4Br)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C10 compound treatment 0.416 -0.0149 -0.71 0.42 -0.00906 -0.55 -0.8872 -0.9916 3117809 ChemDiv3_006038 COc1ccc(C)cc1NC(=S)NC2(CN3CN4CN(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C11 compound treatment 0.478 0.0471 2.25 0.463 0.0339 2.04 3.0334 0.9989 1539793 ChemDiv3_006039 Brc1cnn(Cc2ccc(o2)C(=O)Nc3sc4CCCCCc4c3C#N)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C12 compound treatment 0.435 0.00412 0.2 0.43 9.37E-4 0.06 0.179 0.8748 3117810 ChemDiv3_006040 COc1ccc2c(cc(O)nc2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C13 compound treatment 0.459 0.0281 1.34 0.441 0.0119 0.72 1.4563 0.9573 1482452 ChemDiv3_006041 COC(=O)c1ccc(COc2ccc3ccccc3c2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C14 compound treatment 0.426 -0.00488 -0.23 0.422 -0.00706 -0.43 -0.465 -0.9596 3117811 ChemDiv3_006042 COc1ccc(cc1)C(=O)NC(c2c(C)[nH]n(c3ccccc3)c2=O)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C15 compound treatment 0.422 -0.00888 -0.42 0.421 -0.00806 -0.49 -0.6424 -0.9977 1692576 ChemDiv3_006043 O=C(N1CCCCC1)c2ccc(COc3cccc4ccccc34)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C16 compound treatment 0.418 -0.0129 -0.61 0.424 -0.00506 -0.3 -0.6495 -0.9478 3117812 ChemDiv3_006044 Cn1c(=O)n(C)c2nc(SCC(=O)Nc3ccccc3F)n(Cc4ccccc4)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C17 compound treatment 0.399 -0.0319 -1.52 0.401 -0.0281 -1.69 -2.2692 -0.9986 3117813 ChemDiv3_006045 O=C(OCCN1CCCCC1)c2cccc(COc3ccc4ccccc4c3)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C18 compound treatment 0.434 0.00312 0.15 0.426 -0.00306 -0.18 -0.025 -0.1057 3026378 ChemDiv3_006046 CC1(C)Nc2ccccc2C(=O)N1NS(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C19 compound treatment 0.426 -0.00488 -0.23 0.424 -0.00506 -0.3 -0.3799 -0.991 3117814 ChemDiv3_006047 Cc1ccc(Cl)cc1NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C20 compound treatment 0.852 0.421 20.07 0.813 0.384 23.12 30.5412 0.9975 3026379 ChemDiv3_006048 OC(=O)CC(N1C(=O)/C(=C\c2c[nH]c3ccccc23)/SC1=S)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C21 compound treatment 0.415 -0.0159 -0.76 0.421 -0.00806 -0.49 -0.8784 -0.977 3117815 ChemDiv3_006049 CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C22 compound treatment 0.415 -0.0159 -0.76 0.413 -0.0161 -0.97 -1.219 -0.9926 3117816 ChemDiv3_006050 CC(C)COC(=O)C1C2OC3(CN(Cc4cccs4)C(=O)C13)C=C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C23 mock treatment 0.413 -0.0179 -0.85 0.411 -0.0181 -1.09 -1.3715 -0.9927 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 C24 mock treatment 0.42 -0.0109 -0.52 0.418 -0.0111 -0.67 -0.8376 -0.9923 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D01 compound treatment 0.448 0.0171 0.82 0.437 0.00794 0.48 0.9152 0.9675 3026380 ChemDiv3_006051 CCOc1ccc2nc(sc2c1)c3nc4ccccc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D02 compound treatment 0.395 -0.0359 -1.71 0.399 -0.0301 -1.81 -2.4892 -0.9996 3026381 ChemDiv3_006052 Cc1ccccc1NCc2ccccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D03 compound treatment 0.437 0.00612 0.29 0.454 0.0249 1.5 1.2682 0.8291 1362120 ChemDiv3_006053 Cc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D04 compound treatment 0.43 -8.75E-4 -0.04 0.437 0.00794 0.48 0.3084 0.6429 3117817 ChemDiv3_006054 O=C1N(C(c2c1oc3ccccc3c2=O)c4ccccc4)c5nccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D05 compound treatment 0.427 -0.00388 -0.18 0.437 0.00794 0.48 0.2073 0.4046 1533324 ChemDiv3_006055 CC(=C)c1cccc(c1)C(C)(C)NC(=O)N2CCCC(C2)C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D06 compound treatment 0.421 -0.00988 -0.47 0.428 -0.00106 -0.06 -0.3781 -0.7959 3117818 ChemDiv3_006056 COc1ccc2c3c4c(=O)n(C)c(=O)n(C)c4cn3ccc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D07 compound treatment 0.481 0.0501 2.39 0.473 0.0439 2.65 3.5602 0.9987 3026382 ChemDiv3_006057 Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D08 compound treatment 0.431 1.25E-4 0.01 0.43 9.37E-4 0.06 0.0441 0.7774 3117819 ChemDiv3_006058 CC(C)CC(NS(=O)(=O)c1cccs1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D09 compound treatment 0.463 0.0321 1.53 0.458 0.0289 1.74 2.3149 0.9979 3117820 ChemDiv3_006059 Cc1ccc(cc1)C2CC(c3c(F)cccc3Cl)n4nc(N)nc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D10 compound treatment 0.412 -0.0189 -0.9 0.43 9.37E-4 0.06 -0.5963 -0.6614 3026383 ChemDiv3_006060 FC(F)(F)c1cccc(NC(=O)Cn2cnc(SCc3ccccc3)n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D11 compound treatment 0.418 -0.0129 -0.61 0.417 -0.0121 -0.73 -0.9475 -0.9965 3117821 ChemDiv3_006061 O=C(Nc1ccc2[nH]c(nc2c1)c3ccccn3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D12 compound treatment 0.43 -8.75E-4 -0.04 0.426 -0.00306 -0.18 -0.1599 -0.8457 3026384 ChemDiv3_006062 CCOc1ccc(CNc2ccc(O)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D13 compound treatment 0.458 0.0271 1.29 0.452 0.0229 1.38 1.8909 0.9995 1136263 ChemDiv3_006063 Fc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D14 compound treatment 0.422 -0.00888 -0.42 0.439 0.00994 0.6 0.1239 0.1691 3117822 ChemDiv3_006064 CC(C)(C)NC(=O)COc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D15 compound treatment 0.49 0.0591 2.82 0.492 0.0629 3.79 4.6725 0.9894 3026385 ChemDiv3_006065 CC1CCCC(C)N1C(=O)c2ccc(NC(=O)C(O)(c3ccccc3)c4ccccc4)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D16 compound treatment 0.434 0.00312 0.15 0.439 0.00994 0.6 0.5284 0.857 3117952 ChemDiv3_006066 CCOc1ccc(cc1)c2nc(C#N)c(NCCCN(CC)CC)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D17 compound treatment 0.47 0.0391 1.87 0.469 0.0399 2.4 3.0191 0.9921 3026386 ChemDiv3_006067 FC(F)(F)c1cc(nc(NC(=N)Nc2cccc(Cl)c2)n1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D18 compound treatment 0.479 0.0481 2.29 0.475 0.0459 2.77 3.578 0.9957 3117953 ChemDiv3_006068 CCCCc1c(C)nc(SCc2ccccc2)nc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D19 compound treatment 0.512 0.0811 3.87 0.525 0.0959 5.78 6.819 0.981 1283248 ChemDiv3_006069 Cc1[nH]c2ccccc2c1C(=O)CSc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D20 compound treatment 0.523 0.0921 4.39 0.501 0.0719 4.33 6.168 1.0 3117954 ChemDiv3_006070 Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D21 compound treatment 0.436 0.00512 0.24 0.447 0.0179 1.08 0.9364 0.8457 3026387 ChemDiv3_006071 O=C(Cn1cc(/C=N/n2cnnc2)c3ccccc13)Nc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D22 compound treatment 0.428 -0.00288 -0.14 0.424 -0.00506 -0.3 -0.3124 -0.9349 3117955 ChemDiv3_006072 Clc1cccc(c1)N2CCN(CC2)C(=O)CN3C(=O)c4ccccc4S3(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D23 mock treatment 0.431 1.25E-4 0.01 0.434 0.00494 0.3 0.2144 0.7211 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 D24 mock treatment 0.423 -0.00788 -0.38 0.427 -0.00206 -0.12 -0.3533 -0.8934 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E01 compound treatment 0.437 0.00612 0.29 0.439 0.00994 0.6 0.6295 0.9456 1119813 ChemDiv3_006073 OC(=O)C1C(C2CC1C=C2)C(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E02 compound treatment 0.445 0.0141 0.67 0.455 0.0259 1.56 1.5804 0.9293 3117956 ChemDiv3_006074 Sc1nnc(Cn2cnc3ccccc23)n1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E03 compound treatment 0.442 0.0111 0.53 0.429 -6.25E-5 0.0 0.3723 0.7021 3026388 ChemDiv3_006075 CCN(CC)CC(=O)OCC1C(C)CC(=CC1C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E04 compound treatment 0.459 0.0281 1.34 0.446 0.0169 1.02 1.6691 0.9909 3117957 ChemDiv3_006076 Nc1nc2CCCCc2c(c1C#N)c3ccncc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E05 compound treatment 0.433 0.00212 0.1 0.442 0.0129 0.78 0.6224 0.7924 3117958 ChemDiv3_006077 FC(F)(F)c1cc(C2CC2)n(CCC(=O)NCCC3=CCCCC3)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E06 compound treatment 0.448 0.0171 0.82 0.445 0.0159 0.96 1.2558 0.9968 3026389 ChemDiv3_006078 Cc1ccc(O)c(N/C=C\2/CCCC2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E07 compound treatment 0.441 0.0101 0.48 0.434 0.00494 0.3 0.5515 0.9729 3026390 ChemDiv3_006079 CCOC(=O)Cn1nc(c(Br)c1C2CC2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E08 compound treatment 0.478 0.0471 2.25 0.463 0.0339 2.04 3.0334 0.9989 3117959 ChemDiv3_006080 COc1ccc(cc1)c2ccc(CCC(=O)O)n2Cc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E09 compound treatment 0.441 0.0101 0.48 0.436 0.00694 0.42 0.6367 0.9974 3117960 ChemDiv3_006081 Nn1c(CSc2ccccn2)nc3ccccc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E10 compound treatment 0.543 0.112 5.34 0.532 0.103 6.2 8.162 0.9973 3117961 ChemDiv3_006082 NC(=O)Nc1nc2ccccc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E11 compound treatment 0.418 -0.0129 -0.61 0.423 -0.00606 -0.37 -0.6921 -0.9692 3026510 ChemDiv3_006083 FC(F)(F)c1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E12 compound treatment 0.446 0.0151 0.72 0.445 0.0159 0.96 1.1884 0.9901 3117962 ChemDiv3_006084 CN1C=C/C(=C\c2cc[n+](C)c3ccccc23)/c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E13 compound treatment 0.45 0.0191 0.91 0.443 0.0139 0.84 1.238 0.9991 3026511 ChemDiv3_006085 COC(=O)c1ccc(COc2cc(C)cc(C)c2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E14 compound treatment 0.428 -0.00288 -0.14 0.437 0.00794 0.48 0.241 0.4848 1191701 ChemDiv3_006086 O=C1N(CN2CCCCCC2)c3ccccc3C41OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E15 compound treatment 0.44 0.00912 0.43 0.437 0.00794 0.48 0.6455 0.9989 1130164 ChemDiv3_006087 COC(=O)c1ccc(COc2cccc(Cl)c2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E16 compound treatment 0.457 0.0261 1.25 0.456 0.0269 1.62 2.0275 0.9915 3117963 ChemDiv3_006088 COC(=O)c1cccc(Oc2nc(Nc3ccccc3F)nc(n2)N4CCC5C=CC=CC5C4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E17 compound treatment 0.434 0.00312 0.15 0.438 0.00894 0.54 0.4858 0.8701 3026512 ChemDiv3_006089 FC(F)(F)COCc1ccc(cc1)C(=O)Nc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E18 compound treatment 0.444 0.0131 0.63 0.445 0.0159 0.96 1.1209 0.9785 3117964 ChemDiv3_006090 CC(=O)NN1C(Nc2ccccc2C1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E19 compound treatment 0.504 0.0731 3.49 0.503 0.0739 4.45 5.6127 0.9927 3117965 ChemDiv3_006091 CC(C)c1ccc(C)cc1OCc2ccc(o2)C(=O)Nc3ccccc3C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E20 compound treatment 0.461 0.0301 1.44 0.462 0.0329 1.98 2.4177 0.9874 3026513 ChemDiv3_006092 CCC1(C)CC2=C(CO1)Cc3c(N2)nc(SCC(=C)C)n(c4ccccc4)c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E21 compound treatment 0.483 0.0521 2.48 0.488 0.0589 3.55 4.2663 0.9848 1473483 ChemDiv3_006093 Brc1ccccc1OCc2ccc(cc2)C(=O)N3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E22 compound treatment 0.441 0.0101 0.48 0.435 0.00594 0.36 0.5941 0.9891 3117966 ChemDiv3_006094 CCc1ccc(cc1)N2CC3(OC4C=C3)C(C4C(=O)OC)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E23 mock treatment 0.425 -0.00588 -0.28 0.42 -0.00906 -0.55 -0.5839 -0.952 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 E24 mock treatment 0.435 0.00412 0.2 0.435 0.00594 0.36 0.3918 0.9604 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F01 compound treatment 0.434 0.00312 0.15 0.441 0.0119 0.72 0.6136 0.8359 3026514 ChemDiv3_006095 COc1cc(cc(OC)c1OC)c2nc3ccccc3n2CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F02 compound treatment 0.412 -0.0189 -0.9 0.408 -0.0211 -1.27 -1.533 -0.9859 3026515 ChemDiv3_006096 Cc1cccc(NCc2ccccc2O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F03 compound treatment 0.447 0.0161 0.77 0.444 0.0149 0.9 1.1795 0.9969 3117967 ChemDiv3_006097 CCc1ccc(cc1)N2C(=O)CN(CC(=O)OC)C2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F04 compound treatment 0.6 0.169 8.06 0.575 0.146 8.79 11.9141 0.9991 3117968 ChemDiv3_006098 O=c1c(/C=C(\C#N)/S(=O)(=O)c2ccccc2)c(Oc3ccccc3)nc4ccccn14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F05 compound treatment 0.457 0.0261 1.25 0.454 0.0249 1.5 1.9423 0.9957 3026516 ChemDiv3_006099 CC1CCN(CC1)C(=O)NC(C)(C)c2cccc(c2)C(=C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F06 compound treatment 0.44 0.00912 0.43 0.443 0.0139 0.84 0.901 0.9532 1004614 ChemDiv3_006100 OC(=O)CNS(=O)(=O)c1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F07 compound treatment 0.466 0.0351 1.67 0.455 0.0259 1.56 2.2883 0.9994 3117969 ChemDiv3_006101 Cc1cccc(c1)c2noc(COc3ccccc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F08 compound treatment 0.474 0.0431 2.06 0.464 0.0349 2.1 2.9411 0.9999 3026517 ChemDiv3_006102 C(Sc1nc2ccccc2[nH]1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F09 compound treatment 0.466 0.0351 1.67 0.469 0.0399 2.4 2.8843 0.9844 3117970 ChemDiv3_006103 Cc1ccc(cc1)C2CC(c3ccccc3C)n4nc(N)nc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F10 compound treatment 0.453 0.0221 1.05 0.446 0.0169 1.02 1.4669 0.9999 3026518 ChemDiv3_006104 Cc1cc(C)c(Cn2c(nc3ccccc23)S(=O)(=O)Cc4ccccc4)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F11 compound treatment 0.433 0.00212 0.1 0.436 0.00694 0.42 0.367 0.8538 3117971 ChemDiv3_006105 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F12 compound treatment 0.441 0.0101 0.48 0.443 0.0139 0.84 0.9347 0.9655 3026519 ChemDiv3_006106 CC(C)(CO)NCc1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F13 compound treatment 0.449 0.0181 0.86 0.446 0.0169 1.02 1.3321 0.9966 3117972 ChemDiv3_006107 Cc1ccc2NC(CC(N3CCCC3=O)c2c1)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F14 compound treatment 0.438 0.00712 0.34 0.449 0.0199 1.2 1.089 0.8729 3026520 ChemDiv3_006108 COc1cc(CNC(C)(C)C)ccc1OCC(=O)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F15 compound treatment 0.513 0.0821 3.91 0.515 0.0859 5.17 6.427 0.9905 3117973 ChemDiv3_006109 COC(=O)[C@@]1(C)CCCC2(C)C1CCc3cc(ccc32)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F16 compound treatment 0.464 0.0331 1.58 0.472 0.0429 2.59 2.9446 0.972 3026553 ChemDiv3_006110 CCOc1ccc(cc1)c2nc(C#N)c(o2)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F17 compound treatment 0.439 0.00812 0.39 0.446 0.0169 1.02 0.995 0.9121 3117974 ChemDiv3_006111 N=C(NCCc1c[nH]c2ccccc12)NC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F18 compound treatment 0.518 0.0871 4.15 0.519 0.0899 5.42 6.7658 0.9914 3117975 ChemDiv3_006112 Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)c3ccccc3N(Cc4ccccc4)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F19 compound treatment 0.449 0.0181 0.86 0.453 0.0239 1.44 1.6301 0.97 3026554 ChemDiv3_006113 COc1ccc(/C=C/C(=O)N2C(OCc3ccccc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F20 compound treatment 0.581 0.15 7.16 0.565 0.136 8.18 10.8479 0.9978 3117976 ChemDiv3_006114 CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c4ccccc24)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F21 compound treatment 0.438 0.00712 0.34 0.444 0.0149 0.9 0.8761 0.9113 2117939 ChemDiv3_006115 Cc1cc(/C=N/O)nc(O)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F22 compound treatment 0.434 0.00312 0.15 0.439 0.00994 0.6 0.5284 0.857 3117977 ChemDiv3_006116 COc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F23 mock treatment 0.442 0.0111 0.53 0.432 0.00294 0.18 0.5001 0.8945 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 F24 mock treatment 0.43 -8.75E-4 -0.04 0.439 0.00994 0.6 0.3936 0.6562 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G01 compound treatment 0.451 0.0201 0.96 0.445 0.0159 0.96 1.3569 1.0 1118910 ChemDiv3_006117 Nc1ccc(cc1)S(=O)(=O)NCCC2=CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G02 compound treatment 0.431 1.25E-4 0.01 0.442 0.0129 0.78 0.555 0.7125 1155616 ChemDiv3_006118 CC(=O)NCCc1ccc(cc1)S(=O)(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G03 compound treatment 0.427 -0.00388 -0.18 0.425 -0.00406 -0.24 -0.3036 -0.9904 3026556 ChemDiv3_006119 CC(C)CC1(C)OCC(C[N+]2(C)CCCCC2)O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G04 compound treatment 0.519 0.0881 4.2 0.513 0.0839 5.05 6.5441 0.9958 3118114 ChemDiv3_006120 Cc1c(nc(N)c(C#N)c1c2ccco2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G05 compound treatment 0.429 -0.00188 -0.09 0.435 0.00594 0.36 0.1896 0.5145 3026557 ChemDiv3_006121 C[N+]1(CC2COC(O2)C3CCC=CC3)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G06 compound treatment 0.481 0.0501 2.39 0.479 0.0499 3.01 3.8157 0.9935 3118115 ChemDiv3_006122 CN(C)c1ccc(N/C=C\2/CCCC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G07 compound treatment 0.461 0.0301 1.44 0.444 0.0149 0.9 1.6514 0.9746 3118116 ChemDiv3_006123 CS(=O)c1nc(cc(n1)C(F)(F)F)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G08 compound treatment 0.449 0.0181 0.86 0.435 0.00594 0.36 0.8637 0.9237 3118117 ChemDiv3_006124 COc1ccccc1/C=[N+]/2\[N-]C(=O)C(NC(=O)c3cccc(C)c3)C2c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G09 compound treatment 0.427 -0.00388 -0.18 0.43 9.37E-4 0.06 -0.0907 -0.4696 3026558 ChemDiv3_006125 CC(C1OCC(C[N+]2(C)CCCCC2)O1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G10 compound treatment 0.535 0.104 4.96 0.519 0.0899 5.42 7.3389 0.9991 3026559 ChemDiv3_006126 NC(=S)Nc1nc2ccccc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G11 compound treatment 0.44 0.00912 0.43 0.435 0.00594 0.36 0.5604 0.9953 1437584 ChemDiv3_006127 Cc1nn(Cc2ccc(o2)C(=O)NCc3ccc(C)cc3)c(C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G12 compound treatment 0.452 0.0211 1.01 0.452 0.0229 1.38 1.6886 0.988 3026560 ChemDiv3_006128 CC(=S)Nc1c(O)[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G13 compound treatment 0.474 0.0431 2.06 0.47 0.0409 2.46 3.1965 0.9959 1641981 ChemDiv3_006129 Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G14 compound treatment 0.431 1.25E-4 0.01 0.434 0.00494 0.3 0.2144 0.7211 3026561 ChemDiv3_006130 CC1SC2(CCCCC2)N(C1=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G15 compound treatment 0.508 0.0771 3.68 0.51 0.0809 4.87 6.0456 0.9903 1387920 ChemDiv3_006131 CC1Cc2ccccc2N1C(=O)c3cccc(COc4ccc(Cl)cc4)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G16 compound treatment 0.442 0.0111 0.53 0.434 0.00494 0.3 0.5852 0.9626 3026562 ChemDiv3_006132 CS(=O)(=O)c1nnnn1c2ccc3OCOc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G17 compound treatment 0.446 0.0151 0.72 0.449 0.0199 1.2 1.3587 0.9703 3118118 ChemDiv3_006133 FC(F)(F)COCc1ccc(cc1)C(=O)NCc2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G18 compound treatment 0.436 0.00512 0.24 0.44 0.0109 0.66 0.6384 0.9089 3118119 ChemDiv3_006134 O=C(NN1C(Nc2ccccc2C1=O)c3ccccn3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G19 compound treatment 0.436 0.00512 0.24 0.426 -0.00306 -0.18 0.0424 0.1384 3026563 ChemDiv3_006135 Cn1cc(Cl)c(n1)C(=O)NCC(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G20 compound treatment 0.428 -0.00288 -0.14 0.432 0.00294 0.18 0.0282 0.1258 1552729 ChemDiv3_006136 CCC1(C)Cc2c(CO1)sc3nc(SC)n4c(SCc5ccccc5)nnc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G21 compound treatment 0.425 -0.00588 -0.28 0.426 -0.00306 -0.18 -0.3284 -0.9794 1129557 ChemDiv3_006137 CCOc1ccc(OCc2ccc(o2)C(=O)NN)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G22 compound treatment 0.424 -0.00688 -0.33 0.434 0.00494 0.3 -0.0215 -0.0487 1160784 ChemDiv3_006138 CC(C)N1CC2(OC3C=C2)C(C3C(=O)O)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G23 mock treatment 0.423 -0.00788 -0.38 0.423 -0.00606 -0.37 -0.5236 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 G24 mock treatment 0.428 -0.00288 -0.14 0.432 0.00294 0.18 0.0282 0.1258 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H01 compound treatment 0.451 0.0201 0.96 0.448 0.0189 1.14 1.4846 0.9963 3026564 ChemDiv3_006139 CCCCn1c2ccccc2c3nnc(SCC(=O)NC4=NC(=O)CS4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H02 compound treatment 0.421 -0.00988 -0.47 0.422 -0.00706 -0.43 -0.6335 -0.9987 1508512 ChemDiv3_006140 CC(=O)N1N=C(OC1(C)C)c2ccc(cc2)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H03 compound treatment 0.421 -0.00988 -0.47 0.424 -0.00506 -0.3 -0.5484 -0.9779 3118120 ChemDiv3_006141 OC(=O)CC1(CC(=O)Nc2ccc(Cl)cc2)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H04 compound treatment 0.426 -0.00488 -0.23 0.428 -0.00106 -0.06 -0.2096 -0.8694 3026565 ChemDiv3_006142 S=C1NC(C2=C(N1)C3CCN2CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H05 compound treatment 0.433 0.00212 0.1 0.437 0.00794 0.48 0.4096 0.8384 3118121 ChemDiv3_006143 Cc1cc(=O)n(CC=C)c(O)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H06 compound treatment 0.429 -0.00188 -0.09 0.431 0.00194 0.12 0.0193 0.1312 3026566 ChemDiv3_006144 CC1(C)N(C(=O)N(C1=N)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H07 compound treatment 0.432 0.00112 0.05 0.442 0.0129 0.78 0.5887 0.754 1251296 ChemDiv3_006145 O=S(=O)(NCc1ccc2OCOc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H08 compound treatment 0.485 0.0541 2.58 0.474 0.0449 2.71 3.7376 0.9997 3118122 ChemDiv3_006146 O=C(NC1=C(N(Cc2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H09 compound treatment 0.433 0.00212 0.1 0.431 0.00194 0.12 0.1541 0.9975 3026567 ChemDiv3_006147 Cc1cc(OCc2nc(no2)c3ccc(OCC(=O)N)cc3)cc(C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H10 compound treatment 0.424 -0.00688 -0.33 0.431 0.00194 0.12 -0.1493 -0.429 1494546 ChemDiv3_006148 CC(NCc1cccnc1)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H11 compound treatment 0.418 -0.0129 -0.61 0.423 -0.00606 -0.37 -0.6921 -0.9692 3026602 ChemDiv3_006149 Cc1nc2cc(ccc2[nH]1)c3nc4cc(NC(=O)c5cccs5)ccc4[nH]3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H12 compound treatment 0.423 -0.00788 -0.38 0.428 -0.00106 -0.06 -0.3107 -0.8158 3118123 ChemDiv3_006150 COc1cccc(CNC(C)(C)CO)c1OCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H13 compound treatment 0.435 0.00412 0.2 0.439 0.00994 0.6 0.5621 0.8925 3026603 ChemDiv3_006151 C1C[C@@H]2[C@H](O1)c3ccccc3N[C@@H]2c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H14 compound treatment 0.428 -0.00288 -0.14 0.429 -6.25E-5 0.0 -0.0996 -0.7262 3118124 ChemDiv3_006152 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H15 compound treatment 0.457 0.0261 1.25 0.45 0.0209 1.26 1.772 1.0 3026604 ChemDiv3_006153 Cc1ccc(c(C)c1C)S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H16 compound treatment 0.426 -0.00488 -0.23 0.429 -6.25E-5 0.0 -0.167 -0.7185 3118125 ChemDiv3_006154 CN(C)CCCNc1oc(nc1C#N)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H17 compound treatment 0.432 0.00112 0.05 0.43 9.37E-4 0.06 0.0778 0.9997 3118126 ChemDiv3_006155 Cc1cc(C)nc(NC(=N)NCCc2c[nH]c3ccccc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H18 compound treatment 0.426 -0.00488 -0.23 0.433 0.00394 0.24 0.0033 0.01 3026605 ChemDiv3_006156 O=C(CN1C(=O)CSC1=O)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H19 compound treatment 0.462 0.0311 1.48 0.467 0.0379 2.28 2.6643 0.9782 3026606 ChemDiv3_006157 CCc1ccc(cc1)n2c(=O)oc3ccc(Cl)cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H20 compound treatment 0.463 0.0321 1.53 0.469 0.0399 2.4 2.7832 0.9763 3118127 ChemDiv3_006158 CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(cc3)C(=O)O)cc2)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H21 compound treatment 0.427 -0.00388 -0.18 0.425 -0.00406 -0.24 -0.3036 -0.9904 3026607 ChemDiv3_006159 C[N+](C)(C)CCC(O)c1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H22 compound treatment 0.421 -0.00988 -0.47 0.42 -0.00906 -0.55 -0.7187 -0.9973 3118128 ChemDiv3_006160 O=C(CC1SC2=NCCN2C1=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H23 mock treatment 0.428 -0.00288 -0.14 0.435 0.00594 0.36 0.1559 0.4071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 H24 mock treatment 0.427 -0.00388 -0.18 0.422 -0.00706 -0.43 -0.4313 -0.9303 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I01 compound treatment 0.432 0.00112 0.05 0.429 -6.25E-5 0.0 0.0353 0.6559 3118129 ChemDiv3_006161 O=C1C2C3CC(C=C3)C2C(=O)N1CCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I02 compound treatment 0.443 0.0121 0.58 0.443 0.0139 0.84 1.0021 0.9834 1625760 ChemDiv3_006162 OC(=O)c1ccc(CSC2CCCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I03 compound treatment 0.431 1.25E-4 0.01 0.427 -0.00206 -0.12 -0.0836 -0.6724 3026608 ChemDiv3_006163 Oc1ccc(cc1CC=C)C(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I04 compound treatment 0.43 -8.75E-4 -0.04 0.428 -0.00106 -0.06 -0.0747 -0.9785 3118130 ChemDiv3_006164 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C21C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I05 compound treatment 0.447 0.0161 0.77 0.452 0.0229 1.38 1.5201 0.9617 3026609 ChemDiv3_006165 CC1CCc2nc(NN)nc(c2C1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I06 compound treatment 0.429 -0.00188 -0.09 0.433 0.00394 0.24 0.1044 0.4122 3118131 ChemDiv3_006166 CC1(O)CC(=NN1S(=O)(=O)c2ccccc2)C(F)(F)OC(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I07 compound treatment 0.427 -0.00388 -0.18 0.437 0.00794 0.48 0.2073 0.4046 3118132 ChemDiv3_006167 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)OCCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I08 compound treatment 0.449 0.0181 0.86 0.436 0.00694 0.42 0.9063 0.9444 3026610 ChemDiv3_006168 CCOC(=O)Cc1c(C)nc2c(c(nn2c1C)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I09 compound treatment 0.439 0.00812 0.39 0.429 -6.25E-5 0.0 0.2712 0.7002 3118133 ChemDiv3_006169 C[N+]1(CC(=O)OCCCc2ccccc2)CCOCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I10 compound treatment 0.436 0.00512 0.24 0.438 0.00894 0.54 0.5533 0.9362 3026611 ChemDiv3_006170 CC1=NC(=O)CN1c2ccc(N)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I11 compound treatment 0.428 -0.00288 -0.14 0.435 0.00594 0.36 0.1559 0.4071 3118134 ChemDiv3_006171 Cc1cc(nn1Cc2ccc(o2)C(=O)NCc3ccco3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I12 compound treatment 0.55 0.119 5.68 0.541 0.112 6.74 8.7811 0.9964 3026612 ChemDiv3_006172 Cc1ccc2S/C(=C\c3sc4ccccc4[n+]3C)/N(CCO)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I13 compound treatment 0.447 0.0161 0.77 0.448 0.0189 1.14 1.3498 0.9816 1573342 ChemDiv3_006173 CCN(CC)C(=O)c1ccc(COc2cccc3ccccc23)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I14 compound treatment 0.438 0.00712 0.34 0.434 0.00494 0.3 0.4504 0.9978 3118261 ChemDiv3_006174 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCC(C3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I15 compound treatment 0.423 -0.00788 -0.38 0.433 0.00394 0.24 -0.0978 -0.2203 1720015 ChemDiv3_006175 Clc1ccccc1OCc2cccc(c2)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I16 compound treatment 0.472 0.0411 1.96 0.473 0.0439 2.65 3.2569 0.9891 3118262 ChemDiv3_006176 CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I17 compound treatment 0.44 0.00912 0.43 0.434 0.00494 0.3 0.5178 0.9828 3026613 ChemDiv3_006177 CCn1nccc1C(=O)Nc2cc(Cl)ccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I18 compound treatment 0.575 0.144 6.87 0.568 0.139 8.37 10.7733 0.9952 3118263 ChemDiv3_006178 O=C(COc1ccc(cc1)C2Nc3cccc4cccc(N2)c34)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I19 compound treatment 0.427 -0.00388 -0.18 0.433 0.00394 0.24 0.037 0.1232 3026614 ChemDiv3_006179 CCn1nccc1C(=O)NC2=C(CCC2)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I20 compound treatment 0.45 0.0191 0.91 0.457 0.0279 1.68 1.8341 0.9586 3118264 ChemDiv3_006180 COc1ccc(CSc2nnc3c4c5CC(C)(C)OCc5sc4nc(SC)n23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I21 compound treatment 0.492 0.0611 2.91 0.478 0.0489 2.95 4.1439 1.0 1646334 ChemDiv3_006181 O=C(NCc1cccnc1)c2ccc(COc3cccc4ccccc34)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I22 compound treatment 0.436 0.00512 0.24 0.434 0.00494 0.3 0.383 0.9952 3118265 ChemDiv3_006182 CCOC(=O)C1C2OC3(CN(C(C)C)C(=O)C13)C=C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I23 mock treatment 0.433 0.00212 0.1 0.427 -0.00206 -0.12 -0.0162 -0.101 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 I24 mock treatment 0.444 0.0131 0.63 0.42 -0.00906 -0.55 0.0566 0.0682 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J01 compound treatment 0.642 0.211 10.06 0.662 0.233 14.03 17.0338 0.9868 3118266 ChemDiv3_006183 CC(N1C(=O)/C(=C\2/C(=O)N(C)c3ccccc23)/SC1=S)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J02 compound treatment 0.419 -0.0119 -0.57 0.43 9.37E-4 0.06 -0.3604 -0.6335 1213293 ChemDiv3_006184 COc1ccc(CC2(C)OC(=NN2C(=O)C)c3ccncc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J03 compound treatment 0.426 -0.00488 -0.23 0.424 -0.00506 -0.3 -0.3799 -0.991 3118267 ChemDiv3_006185 COc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J04 compound treatment 0.426 -0.00488 -0.23 0.429 -6.25E-5 0.0 -0.167 -0.7185 1515449 ChemDiv3_006186 COc1ccc2C3=NN(C(C3CCc2c1)c4ccccc4)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J05 compound treatment 0.43 -8.75E-4 -0.04 0.431 0.00194 0.12 0.053 0.4278 3118268 ChemDiv3_006187 Clc1ccc(OCCN2CCNCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J06 compound treatment 0.429 -0.00188 -0.09 0.435 0.00594 0.36 0.1896 0.5145 3026615 ChemDiv3_006188 Cc1ccccc1Nc2nnc(C)c(=O)n2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J07 compound treatment 0.431 1.25E-4 0.01 0.438 0.00894 0.54 0.3847 0.7149 3118269 ChemDiv3_006189 Fc1ccccc1N2CCN(CC2)C(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J08 compound treatment 0.515 0.0841 4.01 0.513 0.0839 5.05 6.4093 0.9934 3118270 ChemDiv3_006190 CN1C(=C(OC(=O)C)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J09 compound treatment 0.49 0.0591 2.82 0.474 0.0449 2.71 3.9062 0.9998 3026616 ChemDiv3_006191 C(c1ccccc1)n2c3nc(nn3c4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J10 compound treatment 0.425 -0.00588 -0.28 0.429 -6.25E-5 0.0 -0.2007 -0.7165 3118271 ChemDiv3_006192 CC(NCc1ccc(F)cc1)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J11 compound treatment 0.412 -0.0189 -0.9 0.408 -0.0211 -1.27 -1.533 -0.9859 3026654 ChemDiv3_006193 Cc1ccc(cc1)S(=O)(=O)Nc2ccc3nc([nH]c3c2)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J12 compound treatment 0.422 -0.00888 -0.42 0.428 -0.00106 -0.06 -0.3444 -0.8049 3118272 ChemDiv3_006194 COc1cc(CNC(C)(C)CO)cc(Br)c1OCc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J13 compound treatment 0.428 -0.00288 -0.14 0.438 0.00894 0.54 0.2836 0.5107 3026655 ChemDiv3_006195 CCc1cccc2C(C)CC3(CCCC3)Nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J14 compound treatment 0.432 0.00112 0.05 0.428 -0.00106 -0.06 -0.0073 -0.0876 3118273 ChemDiv3_006196 CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J15 compound treatment 0.589 0.158 7.54 0.547 0.118 7.1 10.3512 0.9996 3118274 ChemDiv3_006197 COc1cccc(NC(=S)NC(=N)Nc2nc(C)c3ccccc3n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J16 compound treatment 0.502 0.0711 3.39 0.498 0.0689 4.15 5.3325 0.995 1490556 ChemDiv3_006198 COc1ccc(Nc2oc(nc2C#N)c3ccc(OC)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J17 compound treatment 0.435 0.00412 0.2 0.43 9.37E-4 0.06 0.179 0.8748 3118275 ChemDiv3_006199 CCNC(=S)N1CCN=C1Nc2nc(C)cc(C)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J18 compound treatment 0.438 0.00712 0.34 0.438 0.00894 0.54 0.6207 0.9754 3026656 ChemDiv3_006200 S=C(N1CCCCC1)c2cn(Cc3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J19 compound treatment 0.434 0.00312 0.15 0.432 0.00294 0.18 0.2304 0.9964 1547515 ChemDiv3_006201 COC(=O)c1ccc(NC(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)C(=O)OC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J20 compound treatment 0.538 0.107 5.11 0.53 0.101 6.08 7.9083 0.9963 3026657 ChemDiv3_006202 CCN1C(=O)N/C(=C/c2cccn2c3ccc(cc3)C(=O)O)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J21 compound treatment 0.479 0.0481 2.29 0.474 0.0449 2.71 3.5354 0.9966 3118276 ChemDiv3_006203 CNS(=O)(=O)c1ccc2c(c1)oc(=O)c3cc(ccc32)S(=O)(=O)NC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J22 compound treatment 0.489 0.0581 2.77 0.476 0.0469 2.83 3.9576 1.0 3118277 ChemDiv3_006204 Fc1ccc(CN2C(=O)SC(C3SC(=O)N(Cc4ccc(F)cc4)C3=O)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J23 mock treatment 0.426 -0.00488 -0.23 0.425 -0.00406 -0.24 -0.3373 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 J24 mock treatment 0.433 0.00212 0.1 0.425 -0.00406 -0.24 -0.1013 -0.3827 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K01 compound treatment 0.461 0.0301 1.44 0.461 0.0319 1.92 2.3752 0.9897 1399766 ChemDiv3_006205 OC(=O)c1ccc(COc2ccccc2CC=C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K02 compound treatment 0.454 0.0231 1.1 0.453 0.0239 1.44 1.7986 0.9912 3118278 ChemDiv3_006206 COc1cc(OC)c(/N=C/2\C=C(O)C(=O)c3ccccc23)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K03 compound treatment 0.43 -8.75E-4 -0.04 0.429 -6.25E-5 0.0 -0.0322 -0.7678 3026658 ChemDiv3_006207 COC(=O)c1ccc(COc2ccc(cc2OC)C3OC(C)CC(C)(C)O3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K04 compound treatment 0.431 1.25E-4 0.01 0.433 0.00394 0.24 0.1719 0.7247 3118279 ChemDiv3_006208 COc1ccc(cc1)C2C3(C#N)C(=NC4(OCCO4)C23C#N)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K05 compound treatment 0.438 0.00712 0.34 0.441 0.0119 0.72 0.7484 0.9414 3026659 ChemDiv3_006209 CC1CCc2nc(NCCO)nc(c2C1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K06 compound treatment 0.457 0.0261 1.25 0.447 0.0179 1.08 1.6443 0.9975 3118280 ChemDiv3_006210 OC(=O)c1ccccc1N/C=C\2/CCCCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K07 compound treatment 0.464 0.0331 1.58 0.478 0.0489 2.95 3.2001 0.9573 3118281 ChemDiv3_006211 CC1=NN(C(C1)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K08 compound treatment 0.444 0.0131 0.63 0.453 0.0239 1.44 1.4615 0.9302 3026660 ChemDiv3_006212 CCOc1ccc(NC2=CC(=O)CCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K09 compound treatment 0.423 -0.00788 -0.38 0.435 0.00594 0.36 -0.0127 -0.0244 3026661 ChemDiv3_006213 C[N+]1(CC(=O)OC2CCCCCCCCCCC2)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K10 compound treatment 0.444 0.0131 0.63 0.449 0.0199 1.2 1.2912 0.9539 3118282 ChemDiv3_006214 CSc1[n+](C)ccc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K11 compound treatment 0.435 0.00412 0.2 0.434 0.00494 0.3 0.3493 0.9799 1702476 ChemDiv3_006215 CCc1ccc(OCc2ccc(o2)C(=O)OC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K12 compound treatment 0.433 0.00212 0.1 0.43 9.37E-4 0.06 0.1115 0.9619 3026662 ChemDiv3_006216 Cc1cc2N=C(CC(c3ccccc3)n2n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K13 compound treatment 0.422 -0.00888 -0.42 0.437 0.00794 0.48 0.0388 0.0608 3118283 ChemDiv3_006217 CCn1ccc(n1)C(=O)Nc2nccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K14 compound treatment 0.438 0.00712 0.34 0.444 0.0149 0.9 0.8761 0.9113 3118284 ChemDiv3_006218 O=C(/C=C/c1ccccc1)N2CCC(C2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K15 compound treatment 0.432 0.00112 0.05 0.43 9.37E-4 0.06 0.0778 0.9997 3026663 ChemDiv3_006219 CCn1ccc(n1)C(=O)Nc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K16 compound treatment 0.44 0.00912 0.43 0.446 0.0169 1.02 1.0287 0.9278 3026664 ChemDiv3_006220 CCOC(=O)NN1CNc2ccccc2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K17 compound treatment 0.425 -0.00588 -0.28 0.434 0.00494 0.3 0.0122 0.0298 3118285 ChemDiv3_006221 OC(=O)c1cccc(COCC(F)(F)F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K18 compound treatment 0.44 0.00912 0.43 0.432 0.00294 0.18 0.4326 0.9214 3118286 ChemDiv3_006222 COc1ccc(cc1OC)c2nnc3s/c(=C\c4ccco4)/c(=O)n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K19 compound treatment 0.431 1.25E-4 0.01 0.43 9.37E-4 0.06 0.0441 0.7774 3026665 ChemDiv3_006223 CC1CN(CC(C)O1)C(=O)c2ccc(COCC(F)(F)F)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K20 compound treatment 0.435 0.00412 0.2 0.449 0.0199 1.2 0.9879 0.8121 3118287 ChemDiv3_006224 CCn1c(=O)c2c3CCCCc3sc2n4c(SCc5ccc(OC)cc5)nnc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K21 compound treatment 0.432 0.00112 0.05 0.433 0.00394 0.24 0.2056 0.8457 1606512 ChemDiv3_006225 CCOc1ccc(OCc2ccc(o2)C(=O)NC(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K22 compound treatment 0.435 0.00412 0.2 0.439 0.00994 0.6 0.5621 0.8925 3118288 ChemDiv3_006226 CCOC(=O)C1C2OC3(CN(CC(C)C)C(=O)C13)C=C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K23 mock treatment 0.425 -0.00588 -0.28 0.426 -0.00306 -0.18 -0.3284 -0.9794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 K24 mock treatment 0.444 0.0131 0.63 0.441 0.0119 0.72 0.9506 0.9976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L01 compound treatment 0.435 0.00412 0.2 0.445 0.0159 0.96 0.8176 0.8347 1377574 ChemDiv3_006227 Cc1ccc(CCNc2ccccc2)cn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L02 compound treatment 0.435 0.00412 0.2 0.426 -0.00306 -0.18 0.0087 0.0321 2076714 ChemDiv3_006228 CCOC(=O)CSc1nnnn1c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L03 compound treatment 0.435 0.00412 0.2 0.45 0.0209 1.26 1.0305 0.8076 3118409 ChemDiv3_006229 OC(=O)CC1(CC(=O)Nc2cccnc2)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L04 compound treatment 0.471 0.0401 1.91 0.473 0.0439 2.65 3.2231 0.9873 3026666 ChemDiv3_006230 CCc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L05 compound treatment 0.445 0.0141 0.67 0.44 0.0109 0.66 0.9418 0.9999 3118410 ChemDiv3_006231 CC(C)c1ccc(OCCN2CCNCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L06 compound treatment 0.442 0.0111 0.53 0.439 0.00994 0.6 0.7981 0.9982 3118411 ChemDiv3_006232 Cc1nnc(NCc2ccccc2)n(N)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L07 compound treatment 0.493 0.0621 2.96 0.49 0.0609 3.67 4.6885 0.9944 3026667 ChemDiv3_006233 CN(C(=O)N1c2ccccc2Sc3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L08 compound treatment 0.43 -8.75E-4 -0.04 0.434 0.00494 0.3 0.1807 0.602 1467460 ChemDiv3_006234 O=C(Cn1n(CC(=O)N2CCOCC2)c(=O)n(c3ccccc3)c1=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L09 compound treatment 0.444 0.0131 0.63 0.447 0.0179 1.08 1.2061 0.9663 3118412 ChemDiv3_006235 COc1ccc(cc1OC)C(=O)Cn2c(=O)c(CCC(=O)O)nn3c4ccccc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L10 compound treatment 0.437 0.00612 0.29 0.445 0.0159 0.96 0.885 0.8823 3118413 ChemDiv3_006236 CN(C)c1ccc(NCc2cccc(Br)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L11 compound treatment 0.435 0.00412 0.2 0.445 0.0159 0.96 0.8176 0.8347 3118414 ChemDiv3_006237 COC(=O)CN1C(c2ccccc2)c3cc(C)ccc3N=C1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L12 compound treatment 0.448 0.0171 0.82 0.448 0.0189 1.14 1.3835 0.9866 3026716 ChemDiv3_006238 CCOc1ccc(CNc2ccc(cc2)N3CCN(Cc4ccccc4)CC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L13 compound treatment 0.445 0.0141 0.67 0.443 0.0139 0.84 1.0695 0.994 1024590 ChemDiv3_006239 COc1ccc(cc1)C(=O)CCN2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L14 compound treatment 0.431 1.25E-4 0.01 0.439 0.00994 0.6 0.4273 0.7141 3026717 ChemDiv3_006240 CCOc1cc(CNc2nc[nH]n2)ccc1OCC(=O)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L15 compound treatment 0.43 -8.75E-4 -0.04 0.429 -6.25E-5 0.0 -0.0322 -0.7678 3118415 ChemDiv3_006241 CC1=Nc2ccccc2N=C(N)C1c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L16 compound treatment 0.436 0.00512 0.24 0.441 0.0119 0.72 0.681 0.8971 1485170 ChemDiv3_006242 COc1ccc(cc1)c2nc(C#N)c(o2)N3CCN(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L17 compound treatment 0.453 0.0221 1.05 0.451 0.0219 1.32 1.6798 0.9938 3026718 ChemDiv3_006243 N=C(NC(=O)c1ccccc1)N2N=CCC2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L18 compound treatment 0.442 0.0111 0.53 0.434 0.00494 0.3 0.5852 0.9626 1548077 ChemDiv3_006244 OC(=O)C1CC=CCC1C(=O)Nc2ccccc2S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L19 compound treatment 0.439 0.00812 0.39 0.435 0.00594 0.36 0.5267 0.9992 3118416 ChemDiv3_006245 COC(Cn1c(cc(C2=C(O)CC(C)(C)CC2=O)c1c3ccccc3)c4ccccc4)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L20 compound treatment 0.481 0.0501 2.39 0.472 0.0429 2.59 3.5176 0.9992 3026719 ChemDiv3_006246 Cc1ccc2cccc(OCc3ccc(Br)cc3)c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L21 compound treatment 0.442 0.0111 0.53 0.437 0.00794 0.48 0.7129 0.9987 3026720 ChemDiv3_006247 CN(C)c1ccc(CNc2cc(C)ccn2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L22 compound treatment 0.47 0.0391 1.87 0.459 0.0299 1.8 2.5934 0.9999 3118417 ChemDiv3_006248 COC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L23 mock treatment 0.441 0.0101 0.48 0.443 0.0139 0.84 0.9347 0.9655 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 L24 mock treatment 0.437 0.00612 0.29 0.437 0.00794 0.48 0.5444 0.9721 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M01 compound treatment 0.427 -0.00388 -0.18 0.436 0.00694 0.42 0.1647 0.3607 3026721 ChemDiv3_006249 CC1CC(CC(C)(C)C1)OC(=O)CN2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M02 compound treatment 0.435 0.00412 0.2 0.443 0.0139 0.84 0.7324 0.8498 1691540 ChemDiv3_006250 Fc1ccccc1C2N(Cc3ccccc3)CCCN2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M03 compound treatment 0.498 0.0671 3.2 0.507 0.0779 4.69 5.5808 0.9826 3118418 ChemDiv3_006251 FC(F)(F)c1cc(nc(SCC(=O)OCCCc2ccccc2)n1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M04 compound treatment 0.448 0.0171 0.82 0.457 0.0279 1.68 1.7667 0.9449 3026722 ChemDiv3_006252 COc1ccc(cc1)C2C3(C#N)C(=NC(OC)(OC)C23C#N)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M05 compound treatment 0.429 -0.00188 -0.09 0.434 0.00494 0.3 0.147 0.4736 3118419 ChemDiv3_006253 FC(F)(F)c1nc(SCC(=O)NCCC2=CCCCC2)nc3CCCCCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M06 compound treatment 0.51 0.0791 3.77 0.507 0.0779 4.69 5.9853 0.9941 3026723 ChemDiv3_006254 CC1CCC/C(=C/Nc2ccc3OCOc3c2)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M07 compound treatment 0.431 1.25E-4 0.01 0.435 0.00594 0.36 0.257 0.7188 3118420 ChemDiv3_006255 CC1=NN(C(C1)c2ccc(OCC(=O)N3CCCC3)cc2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M08 compound treatment 0.456 0.0251 1.2 0.467 0.0379 2.28 2.4621 0.9546 3118421 ChemDiv3_006256 C/N=C/1\S/C(=C/c2cccn2c3ccc(cc3)N(C)C)/C(=O)N1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M09 compound treatment 0.433 0.00212 0.1 0.434 0.00494 0.3 0.2818 0.8974 3026724 ChemDiv3_006257 CCOC(=O)C1CCCN(CCP(=O)(c2ccccc2)c3ccccc3)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M10 compound treatment 0.496 0.0651 3.1 0.487 0.0579 3.49 4.6619 0.9983 3118422 ChemDiv3_006258 Cc1ccccc1/N=C/2\Nc3ccc4ccccc4c3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M11 compound treatment 0.449 0.0181 0.86 0.437 0.00794 0.48 0.9489 0.961 1171394 ChemDiv3_006259 Clc1cnn(Cc2cccc(c2)C(=O)NC3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M12 compound treatment 0.547 0.116 5.54 0.53 0.101 6.08 8.2117 0.9989 3118423 ChemDiv3_006260 NCCn1c(N)c(C#N)c2nc3ccccc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M13 compound treatment 0.493 0.0621 2.96 0.504 0.0749 4.51 5.2845 0.9791 1308018 ChemDiv3_006261 Cc1ccc(OCc2ccc(o2)C(=O)NC(c3ccccc3)c4ccccc4)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M14 compound treatment 0.453 0.0221 1.05 0.447 0.0179 1.08 1.5095 0.9999 1706518 ChemDiv3_006262 O=C(CCN1CCc2ccccc2C1)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M15 compound treatment 0.431 1.25E-4 0.01 0.428 -0.00106 -0.06 -0.041 -0.6385 3118424 ChemDiv3_006263 COC(=O)c1ccc(Cn2nc(cc2C)C(F)(F)F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M16 compound treatment 0.441 0.0101 0.48 0.445 0.0159 0.96 1.0198 0.9494 3026725 ChemDiv3_006264 CCOC(=O)NN1C(Nc2ccccc2C1=O)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M17 compound treatment 0.434 0.00312 0.15 0.438 0.00894 0.54 0.4858 0.8701 3118425 ChemDiv3_006265 FC(F)(F)COCc1ccc(o1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M18 compound treatment 0.452 0.0211 1.01 0.437 0.00794 0.48 1.05 0.942 3026726 ChemDiv3_006266 N(c1nc2ccccc2[nH]1)n3cnnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M19 compound treatment 0.434 0.00312 0.15 0.423 -0.00606 -0.37 -0.1528 -0.3875 3118426 ChemDiv3_006267 FC(F)(F)COCc1cccc(c1)C(=O)N/C=N/c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M20 compound treatment 0.521 0.0901 4.3 0.516 0.0869 5.23 6.7392 0.9952 1375388 ChemDiv3_006268 CCCOc1ccc(cc1)c2cnc(S)nc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M21 compound treatment 0.477 0.0461 2.2 0.473 0.0439 2.65 3.4254 0.9958 3118427 ChemDiv3_006269 FC(F)(F)COC(=O)c1ccc(COc2ccc3ccccc3c2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M22 compound treatment 0.539 0.108 5.15 0.534 0.105 6.32 8.1123 0.9949 3118428 ChemDiv3_006270 CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)/NC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M23 mock treatment 0.426 -0.00488 -0.23 0.418 -0.0111 -0.67 -0.6353 -0.9006 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 M24 mock treatment 0.438 0.00712 0.34 0.425 -0.00406 -0.24 0.0672 0.1606 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N01 compound treatment 0.431 1.25E-4 0.01 0.433 0.00394 0.24 0.1719 0.7247 1348089 ChemDiv3_006271 OCc1ccccc1CN2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N02 compound treatment 0.435 0.00412 0.2 0.436 0.00694 0.42 0.4344 0.9409 3026727 ChemDiv3_006272 CCCSc1nnc(N)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N03 compound treatment 0.437 0.00612 0.29 0.443 0.0139 0.84 0.7998 0.9002 3118429 ChemDiv3_006273 OC(=O)CC1(CC(=O)Nc2cccc(c2)C(F)(F)F)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N04 compound treatment 0.428 -0.00288 -0.14 0.426 -0.00306 -0.18 -0.2273 -0.9893 3118430 ChemDiv3_006274 Cc1cccc(c1)N2C3CS(=O)(=O)CC3N(C2=O)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N05 compound treatment 0.431 1.25E-4 0.01 0.439 0.00994 0.6 0.4273 0.7141 3026728 ChemDiv3_006275 COc1cccc(OCCCN2CCNCC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N06 compound treatment 0.425 -0.00588 -0.28 0.435 0.00594 0.36 0.0548 0.1206 3026729 ChemDiv3_006276 Cc1nnc(NCCc2ccccc2)n(N)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N07 compound treatment 0.465 0.0341 1.63 0.473 0.0439 2.65 3.0209 0.9727 1129689 ChemDiv3_006277 COc1cc2c(cc1NC(=O)CCC3CCCCC3)oc4ccccc42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N08 compound treatment 0.425 -0.00588 -0.28 0.429 -6.25E-5 0.0 -0.2007 -0.7165 3118431 ChemDiv3_006278 OC(=O)Cn1nnnc1SCC(=O)Nc2ccccc2F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N09 compound treatment 0.423 -0.00788 -0.38 0.421 -0.00806 -0.49 -0.6087 -0.9919 3025868 ChemDiv3_006279 C(N1CCOCC1)c2c(nc3c4ccccc4ccn23)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N10 compound treatment 0.473 0.0421 2.01 0.467 0.0379 2.28 3.0351 0.9979 3025869 ChemDiv3_006280 CC(=O)N(Cc1cccc(Br)c1)c2ccc3oc(nc3c2)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N11 compound treatment 0.432 0.00112 0.05 0.435 0.00594 0.36 0.2907 0.8042 1668136 ChemDiv3_006281 COC(=O)CN1C(c2ccccc2)c3cc(Cl)ccc3NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N12 compound treatment 0.437 0.00612 0.29 0.435 0.00594 0.36 0.4592 0.995 3118551 ChemDiv3_006282 O=C(N1CCN(CC1)c2ccc(NCc3ccc4OCOc4c3)cc2)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N13 compound treatment 0.443 0.0121 0.58 0.444 0.0149 0.9 1.0447 0.9771 3025870 ChemDiv3_006283 CCOC(=O)N1CCN(CCC(=O)c2ccc(OC)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N14 compound treatment 0.429 -0.00188 -0.09 0.428 -0.00106 -0.06 -0.1084 -0.9866 3118552 ChemDiv3_006284 CN(C)CCCNc1oc(nc1C#N)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N15 compound treatment 0.512 0.0811 3.87 0.497 0.0679 4.09 5.627 0.9996 3025871 ChemDiv3_006285 COc1ccc(cc1)C(=O)NC2=Nc3ccccc3N=C(C)C2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N16 compound treatment 0.426 -0.00488 -0.23 0.433 0.00394 0.24 0.0033 0.01 3118553 ChemDiv3_006286 CCOC(=O)N1CCC(CC1)Nc2nc(OC)nc(OC)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N17 compound treatment 0.44 0.00912 0.43 0.439 0.00994 0.6 0.7307 0.9877 3118554 ChemDiv3_006287 CN1CCN(CC1)C(=S)SCC(=O)Nc2nc(=O)c3ccccc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N18 compound treatment 0.44 0.00912 0.43 0.424 -0.00506 -0.3 0.092 0.1733 1736377 ChemDiv3_006288 OC(=O)CCC(=O)Nc1cccc(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N19 compound treatment 0.434 0.00312 0.15 0.434 0.00494 0.3 0.3155 0.949 3118555 ChemDiv3_006289 CCOCC(=O)NC1CCSC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N20 compound treatment 0.429 -0.00188 -0.09 0.429 -6.25E-5 0.0 -0.0659 -0.7362 3025872 ChemDiv3_006290 O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N21 compound treatment 0.435 0.00412 0.2 0.436 0.00694 0.42 0.4344 0.9409 3118556 ChemDiv3_006291 CCCn1c(NCc2ccc(OC)cc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N22 compound treatment 0.425 -0.00588 -0.28 0.427 -0.00206 -0.12 -0.2858 -0.933 3025873 ChemDiv3_006292 CC(C)C1CCC(C)CC1OCC[N+](C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N23 mock treatment 0.435 0.00412 0.2 0.433 0.00394 0.24 0.3067 0.9957 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 N24 mock treatment 0.431 1.25E-4 0.01 0.43 9.37E-4 0.06 0.0441 0.7774 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O01 compound treatment 0.462 0.0311 1.48 0.466 0.0369 2.22 2.6218 0.9806 1217799 ChemDiv3_006293 OC(=O)c1cccc(COc2ccccc2CC=C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O02 compound treatment 0.43 -8.75E-4 -0.04 0.439 0.00994 0.6 0.3936 0.6562 1711668 ChemDiv3_006294 OC(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O03 compound treatment 0.434 0.00312 0.15 0.423 -0.00606 -0.37 -0.1528 -0.3875 3025874 ChemDiv3_006295 Cc1ccc(cc1)S(=O)(=O)CC(N2CCOCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O04 compound treatment 0.435 0.00412 0.2 0.446 0.0169 1.02 0.8602 0.8282 3118557 ChemDiv3_006296 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)cc3)C21C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O05 compound treatment 0.429 -0.00188 -0.09 0.43 9.37E-4 0.06 -0.0233 -0.2203 3025875 ChemDiv3_006297 CCn1cc(Br)c(n1)c2nc3ccccc3c(=O)n2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O06 compound treatment 0.466 0.0351 1.67 0.466 0.0369 2.22 2.7566 0.9902 3118558 ChemDiv3_006298 CCOc1ccc(N/C=C\2/CCCC(C)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O07 compound treatment 0.423 -0.00788 -0.38 0.433 0.00394 0.24 -0.0978 -0.2203 3118559 ChemDiv3_006299 CCOC(=O)COc1ccc(cc1)C2CC(=NN2c3ccccc3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O08 compound treatment 0.5 0.0691 3.3 0.542 0.113 6.8 7.1383 0.9447 3025876 ChemDiv3_006300 Cc1ccc(cc1)C2=C/C(=C/c3ccc(o3)c4cccc(c4)C(=O)O)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O09 compound treatment 0.432 0.00112 0.05 0.428 -0.00106 -0.06 -0.0073 -0.0876 3118560 ChemDiv3_006301 COC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O10 compound treatment 0.431 1.25E-4 0.01 0.444 0.0149 0.9 0.6402 0.7118 3025877 ChemDiv3_006302 Cc1cc(C)c2nc(O)cc(C(=O)O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O11 compound treatment 0.43 -8.75E-4 -0.04 0.44 0.0109 0.66 0.4362 0.661 1294303 ChemDiv3_006303 CCCc1ccc(OCc2ccc(cc2)C(=O)n3cc(Br)cn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O12 compound treatment 0.437 0.00612 0.29 0.431 0.00194 0.12 0.2889 0.919 3118561 ChemDiv3_006304 Cc1nn(c(N)c1C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O13 compound treatment 0.426 -0.00488 -0.23 0.441 0.0119 0.72 0.3439 0.4553 3025878 ChemDiv3_006305 O=C(NC1CCOC1=O)c2ccc(COc3ccc4ccccc4c3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O14 compound treatment 0.456 0.0251 1.2 0.448 0.0189 1.14 1.6532 0.9997 1507755 ChemDiv3_006306 OC1(CN(CCC(=O)c2ccc3OCCOc3c2)CCc4ccccc41)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O15 compound treatment 0.543 0.112 5.34 0.511 0.0819 4.93 7.2679 0.9992 3025879 ChemDiv3_006307 O=C(Nc1ccncc1)c2cccc(COc3ccc4ccccc4c3)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O16 compound treatment 0.446 0.0151 0.72 0.451 0.0219 1.32 1.4438 0.9595 3118562 ChemDiv3_006308 CS(=O)(=O)NN1C(=O)c2ccccc2NC31CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O17 compound treatment 0.429 -0.00188 -0.09 0.427 -0.00206 -0.12 -0.151 -0.987 3025880 ChemDiv3_006309 CC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O18 compound treatment 0.497 0.0661 3.15 0.494 0.0649 3.91 4.9936 0.9943 3118563 ChemDiv3_006310 OC(=O)C(N1C(=O)/C(=C/c2ccncc2)/SC1=S)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O19 compound treatment 0.473 0.0421 2.01 0.483 0.0539 3.25 3.7163 0.9733 3118564 ChemDiv3_006311 COC(=O)c1ccccc1NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O20 compound treatment 0.43 -8.75E-4 -0.04 0.436 0.00694 0.42 0.2659 0.6333 3025881 ChemDiv3_006312 OC(=O)CC1N(C(=S)N(C1=O)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O21 compound treatment 0.43 -8.75E-4 -0.04 0.425 -0.00406 -0.24 -0.2025 -0.8159 1248802 ChemDiv3_006313 CCOc1ccc(OCc2cccc(c2)C(=O)N3CCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O22 compound treatment 0.431 1.25E-4 0.01 0.432 0.00294 0.18 0.1293 0.7305 3025882 ChemDiv3_006314 COc1cccc(c1)c2nc(c(o2)N(C)C)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O23 mock treatment 0.431 1.25E-4 0.01 0.425 -0.00406 -0.24 -0.1687 -0.6897 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 O24 mock treatment 0.434 0.00312 0.15 0.437 0.00794 0.48 0.4433 0.8855 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P01 compound treatment 0.431 1.25E-4 0.01 0.435 0.00594 0.36 0.257 0.7188 1267325 ChemDiv3_006315 CC1CCN(Cc2ccccc2CO)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P02 compound treatment 0.432 0.00112 0.05 0.432 0.00294 0.18 0.163 0.8819 3025883 ChemDiv3_006316 O=c1n(CCSc2nnnn2c3ccccc3)nnn1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P03 compound treatment 0.443 0.0121 0.58 0.451 0.0219 1.32 1.3427 0.9313 3118565 ChemDiv3_006317 Cc1cc(c2c(nn(c3ccccc3)c2n1)c4ccccc4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P04 compound treatment 0.44 0.00912 0.43 0.449 0.0199 1.2 1.1564 0.9057 3118566 ChemDiv3_006318 OC(=O)Cn1c(nc(=S)c2CCCCc21)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P05 compound treatment 0.447 0.0161 0.77 0.444 0.0149 0.9 1.1795 0.9969 1877641 ChemDiv3_006319 COc1ccc2C(NC(=O)c3cnn(c3N)c4ccccc4)OC(=O)c2c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P06 compound treatment 0.433 0.00212 0.1 0.433 0.00394 0.24 0.2393 0.9281 3118567 ChemDiv3_006320 Cc1nn2N=C(CSc2nc1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P07 compound treatment 0.481 0.0501 2.39 0.482 0.0529 3.19 3.9434 0.9899 1851771 ChemDiv3_006321 CCCC(=O)Nc1ccc2n(CC)c3ccccc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P08 compound treatment 0.429 -0.00188 -0.09 0.434 0.00494 0.3 0.147 0.4736 3025884 ChemDiv3_006322 CCSc1nc2ccccc2n1S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P09 compound treatment 0.439 0.00812 0.39 0.435 0.00594 0.36 0.5267 0.9992 3025939 ChemDiv3_006323 CC(C)(C)c1cn2c(n1)n(N)c3ccccc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P10 compound treatment 0.424 -0.00688 -0.33 0.42 -0.00906 -0.55 -0.6176 -0.9703 3118568 ChemDiv3_006324 Clc1ccccc1COc2cccc(CNCc3cccnc3)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P11 compound treatment 0.431 1.25E-4 0.01 0.425 -0.00406 -0.24 -0.1687 -0.6897 3025940 ChemDiv3_006325 Clc1ccc2N=C3CNC(=O)CN3C(c4ccccc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P12 compound treatment 0.519 0.0881 4.2 0.512 0.0829 4.99 6.5015 0.9963 3118569 ChemDiv3_006326 COc1cc(CNc2ccc(cc2)C(=O)O)ccc1OCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P13 compound treatment 0.45 0.0191 0.91 0.448 0.0189 1.14 1.4509 0.9939 3025941 ChemDiv3_006327 CCOC(=O)N1CCN(CCC(=O)c2ccc(Br)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P14 compound treatment 0.462 0.0311 1.48 0.45 0.0209 1.26 1.9406 0.9967 1294667 ChemDiv3_006328 Fc1ccc(cc1)c2nc(C#N)c(NC3CCCCC3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P15 compound treatment 0.551 0.12 5.73 0.537 0.108 6.5 8.6445 0.998 3118570 ChemDiv3_006329 CN(C1CCCCC1)C(=S)SCC(=O)c2c(C)[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P16 compound treatment 0.445 0.0141 0.67 0.437 0.00794 0.48 0.8141 0.9859 3025942 ChemDiv3_006330 Cc1ccc(cc1)C(=O)CC(C(=O)O)c2cn(CCC#N)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P17 compound treatment 0.526 0.0951 4.53 0.514 0.0849 5.11 6.8226 0.9982 3118571 ChemDiv3_006331 Clc1ccc2[nH]c(=O)c(SC(=S)N3CCOCC3)c(c4ccccc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P18 compound treatment 0.434 0.00312 0.15 0.448 0.0189 1.14 0.9116 0.7928 3025943 ChemDiv3_006332 OC(=O)Cn1cc(C(=S)N2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P19 compound treatment 0.449 0.0181 0.86 0.458 0.0289 1.74 1.843 0.9476 3118572 ChemDiv3_006333 Clc1ccc(cc1)C(=O)/C=c/2\[nH]c(=O)\c(=C\c3cccnc3)\s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P20 compound treatment 0.426 -0.00488 -0.23 0.438 0.00894 0.54 0.2162 0.3688 1860014 ChemDiv3_006334 Cc1c(NC(=O)CCSc2ccc(C)cc2)c(=O)n(c3ccccc3)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P21 compound treatment 0.41 -0.0209 -1.0 0.403 -0.0261 -1.57 -1.8133 -0.9758 1074405 ChemDiv3_006335 Oc1ccccc1CNc2ccc(Br)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P22 compound treatment 0.433 0.00212 0.1 0.431 0.00194 0.12 0.1541 0.9975 3025944 ChemDiv3_006336 CC[N+]1(C)CC2CCC(C)(C1)C2(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P23 mock treatment 0.431 1.25E-4 0.01 0.439 0.00994 0.6 0.4273 0.7141 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2018 P24 mock treatment 0.447 0.0161 0.77 0.427 -0.00206 -0.12 0.4557 0.5853 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A01 compound treatment 0.422 -0.00845 -0.4 0.408 -0.0255 -1.54 -1.372 -0.8633 3118695 ChemDiv3_006337 CNC(=O)COc1ccc(cc1)c2nn(C)c(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A02 compound treatment 0.425 -0.00545 -0.26 0.426 -0.00753 -0.45 -0.5045 -0.9651 3118696 ChemDiv3_006338 CCOC(=O)N1CCC(CC1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A03 compound treatment 0.43 -4.52E-4 -0.02 0.425 -0.00853 -0.51 -0.3785 -0.7361 3025945 ChemDiv3_006339 COc1nnc(c2ccc(N3CCCCC3)c(NC(=O)C)c2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A04 compound treatment 0.432 0.00155 0.07 0.435 0.00147 0.09 0.1146 0.996 3118697 ChemDiv3_006340 O=C(CSc1nnc2ccc3ccccc3n12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A05 compound treatment 0.51 0.0795 3.79 0.473 0.0395 2.38 4.3617 0.9747 3025946 ChemDiv3_006341 CC(C)Nc1nc(NC(C)C)nc(Sc2nn(C)c(=S)s2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A06 compound treatment 0.425 -0.00545 -0.26 0.427 -0.00653 -0.39 -0.4619 -0.9798 3118698 ChemDiv3_006342 CCC(=O)c1c(OCC(=O)N)ccc2c(C)cc(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A07 compound treatment 0.425 -0.00545 -0.26 0.427 -0.00653 -0.39 -0.4619 -0.9798 3118699 ChemDiv3_006343 CCOc1ccc(Nc2nc(N)nc(CN3CC(C)CC(C)C3)n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A08 compound treatment 0.517 0.0865 4.13 0.523 0.0895 5.39 6.7264 0.9913 3025947 ChemDiv3_006344 CCOc1ccc(Nc2oc(COc3ccccc3Cl)nc2C#N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A09 compound treatment 0.479 0.0485 2.31 0.452 0.0185 1.11 2.4227 0.9436 3118700 ChemDiv3_006345 Cc1nc(SCSc2nc3ccccc3s2)nc4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A10 compound treatment 0.444 0.0135 0.65 0.435 0.00147 0.09 0.5191 0.7964 3025948 ChemDiv3_006346 Cc1cccc(c1)c2nc3SC(CC(=O)n3n2)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A11 compound treatment 0.416 -0.0145 -0.69 0.414 -0.0195 -1.18 -1.3188 -0.9675 3118701 ChemDiv3_006347 Cc1cc(C)c2CN(Cc3ccc(Cl)cc3)COc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A12 compound treatment 0.64 0.21 9.99 0.64 0.206 12.43 15.8536 0.9941 3118702 ChemDiv3_006348 O=C(Cn1cc(/C=C\2/C(=O)Nc3ccccc23)c4ccccc14)NCC5CCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A13 compound treatment 0.43 -4.52E-4 -0.02 0.435 0.00147 0.09 0.0472 0.5195 3025949 ChemDiv3_006349 CC1CC(C)N(C(C)C1)C(=O)CSc2nc(c3CCc4ccccc4-c3n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A14 compound treatment 0.433 0.00255 0.12 0.42 -0.0135 -0.81 -0.4903 -0.5951 3118703 ChemDiv3_006350 COc1ccc(cc1)C2(CCOCC2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A15 compound treatment 0.423 -0.00745 -0.36 0.419 -0.0145 -0.88 -0.8699 -0.9211 3118704 ChemDiv3_006351 Cc1cc(nc(SCCNC(=O)Cc2ccc(F)cc2)n1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A16 compound treatment 0.426 -0.00445 -0.21 0.426 -0.00753 -0.45 -0.4708 -0.9401 3025950 ChemDiv3_006352 CCOC(=O)c1ccc(NC(=O)CCC(C)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A17 compound treatment 0.494 0.0635 3.03 0.496 0.0625 3.76 4.8016 0.9942 3118705 ChemDiv3_006353 COc1cccc(NC(=O)C(C)Sc2nc(cc(n2)C(F)(F)F)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A18 compound treatment 0.427 -0.00345 -0.16 0.426 -0.00753 -0.45 -0.4371 -0.9059 1220163 ChemDiv3_006354 COc1cc2c(C(=O)N3CCN(CC3)c4ccccc4C)c(C)oc2cc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A19 compound treatment 0.426 -0.00445 -0.21 0.426 -0.00753 -0.45 -0.4708 -0.9401 3118706 ChemDiv3_006355 CC1Cc2ccccc2N1C(=O)CSc3nc(cc(n3)C(F)(F)F)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A20 compound treatment 0.487 0.0565 2.7 0.504 0.0705 4.24 4.9062 0.976 3118707 ChemDiv3_006356 Cc1ccc(Sc2c(CS(=O)(=O)c3ccccc3)[nH]c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A21 compound treatment 0.425 -0.00545 -0.26 0.416 -0.0175 -1.06 -0.9302 -0.8556 3025951 ChemDiv3_006357 COc1ccc(cc1)c2cc(nc(SCCC(=O)N3CCCC3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A22 compound treatment 0.425 -0.00545 -0.26 0.426 -0.00753 -0.45 -0.5045 -0.9651 3118708 ChemDiv3_006358 O=C(c1ccncc1)n2nc3-c4ccccc4C(=O)c5cccc2c35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A23 mock treatment 0.429 -0.00145 -0.07 0.423 -0.0105 -0.63 -0.4974 -0.7796 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 A24 mock treatment 0.429 -0.00145 -0.07 0.434 4.67E-4 0.03 -0.0291 -0.3891 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B01 compound treatment 0.461 0.0305 1.46 0.462 0.0285 1.71 2.2417 0.9967 3025952 ChemDiv3_006359 CCC(=O)n1nc(nc1SC)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B02 compound treatment 0.474 0.0435 2.08 0.465 0.0315 1.89 2.8076 0.999 3118709 ChemDiv3_006360 CN1C(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B03 compound treatment 0.466 0.0355 1.69 0.465 0.0315 1.89 2.5379 0.9985 3025953 ChemDiv3_006361 Nc1nc2ccccc2n1C(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B04 compound treatment 0.434 0.00355 0.17 0.436 0.00247 0.15 0.2246 0.9979 1713239 ChemDiv3_006362 NCCC(=O)N1c2ccccc2Sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B05 compound treatment 0.463 0.0325 1.55 0.474 0.0405 2.44 2.82 0.9763 3118710 ChemDiv3_006363 CCC1(C2c3cc(Br)ccc3OC(=O)C21C(=O)c4ccco4)C(=O)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B06 compound treatment 0.434 0.00355 0.17 0.436 0.00247 0.15 0.2246 0.9979 3118711 ChemDiv3_006364 Cc1cccc(C)c1NC(=O)Cn2c(nc3ccccc23)S(=O)(=O)CC(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B07 compound treatment 0.482 0.0515 2.46 0.489 0.0555 3.34 4.0991 0.9886 3025954 ChemDiv3_006365 COc1ccc(cc1)c2c/c(=N\c3ccc(OC)c(OC)c3)/c4ccccc4o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B08 compound treatment 0.5 0.0695 3.32 0.491 0.0575 3.46 4.7909 0.9998 3118712 ChemDiv3_006366 FC(F)(F)c1ccccc1NC(=O)Cn2cc(C(=O)c3cccs3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B09 compound treatment 0.442 0.0115 0.55 0.448 0.0145 0.87 1.0052 0.9755 3026005 ChemDiv3_006367 C=CCOc1nnc(OCC=C)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B10 compound treatment 0.464 0.0335 1.6 0.46 0.0265 1.59 2.2576 1.0 3026006 ChemDiv3_006368 Cc1cc(Oc2ccccc2)nc(SCc3ccccc3)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B11 compound treatment 0.443 0.0125 0.6 0.443 0.00947 0.57 0.826 0.9997 3118713 ChemDiv3_006369 Nn1c(=O)c2ccccc2n3c(SCC(=O)N(c4ccccc4)c5ccccc5)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B12 compound treatment 0.439 0.00855 0.41 0.442 0.00847 0.51 0.6486 0.9938 3026007 ChemDiv3_006370 COc1ccccc1CN2CCCC(C2)C(=O)N(C)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B13 compound treatment 0.442 0.0115 0.55 0.461 0.0275 1.65 1.5587 0.8942 3118714 ChemDiv3_006371 O=S(=O)(/N=C(/Nc1cc(ncn1)N2CCOCC2)\c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B14 compound treatment 0.434 0.00355 0.17 0.435 0.00147 0.09 0.1821 0.9541 3118715 ChemDiv3_006372 Cc1ccc(cc1)C(=O)Nc2nonc2NC(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B15 compound treatment 0.436 0.00555 0.26 0.431 -0.00253 -0.15 0.0792 0.2593 3026008 ChemDiv3_006373 CS(=O)(=O)Nc1nc2NC(=CC(c3ccccc3)n2n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B16 compound treatment 0.444 0.0135 0.65 0.452 0.0185 1.11 1.2429 0.9666 1138557 ChemDiv3_006374 Nc1nonc1n2nnc(C(=O)O)c2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B17 compound treatment 0.61 0.18 8.56 0.621 0.187 11.29 14.0335 0.9907 3026009 ChemDiv3_006375 CCOC=C1C(=O)c2ccccc2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B18 compound treatment 0.439 0.00855 0.41 0.443 0.00947 0.57 0.6912 0.9865 3118716 ChemDiv3_006376 COc1cccc2c3nc(nc(NC(=O)C)c3c(=O)oc12)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B19 compound treatment 0.488 0.0575 2.74 0.487 0.0535 3.22 4.2161 0.9968 1327186 ChemDiv3_006377 CCCc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4[nH]c3n2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B20 compound treatment 0.431 5.48E-4 0.03 0.428 -0.00553 -0.33 -0.2171 -0.6496 3026010 ChemDiv3_006378 CC(C)(C)c1ccc2OCN(Cc2c1)c3cccc(c3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B21 compound treatment 0.552 0.122 5.79 0.556 0.122 7.37 9.3111 0.9929 3118717 ChemDiv3_006379 CCOC(=O)Cc1cc(sc1c2ccc(OC)cc2)C(=O)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B22 compound treatment 0.568 0.138 6.56 0.572 0.138 8.34 10.5316 0.9929 3026011 ChemDiv3_006380 Cc1ccc2NC(=O)/C(=C/3\SC(=O)N(CC(=O)O)C3=O)/c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B23 mock treatment 0.44 0.00955 0.46 0.436 0.00247 0.15 0.4269 0.8916 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 B24 mock treatment 0.432 0.00155 0.07 0.435 0.00147 0.09 0.1146 0.996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C01 compound treatment 0.416 -0.0145 -0.69 0.412 -0.0215 -1.3 -1.4039 -0.9562 3118718 ChemDiv3_006381 Cn1nc(c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)c5ccccc5c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C02 compound treatment 0.42 -0.0105 -0.5 0.426 -0.00753 -0.45 -0.673 -0.9989 3026012 ChemDiv3_006382 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C03 compound treatment 0.413 -0.0175 -0.83 0.413 -0.0205 -1.24 -1.4625 -0.9814 3118719 ChemDiv3_006383 CCNc1nc(Oc2ccc(O)nn2)nc(n1)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C04 compound treatment 0.437 0.00655 0.31 0.445 0.0115 0.69 0.7089 0.9356 3026013 ChemDiv3_006384 Clc1ccc(cc1)c2csc3nnc(SCC(=O)c4ccc5OCOc5c4)n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C05 compound treatment 0.418 -0.0125 -0.59 0.418 -0.0155 -0.94 -1.081 -0.9759 3118720 ChemDiv3_006385 CCNc1nc(NCC)nc(n1)C(=O)OCCO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C06 compound treatment 0.42 -0.0105 -0.5 0.421 -0.0125 -0.75 -0.8859 -0.9797 1634799 ChemDiv3_006386 CCc1c(oc2c(C)c3oc(=O)cc(C)c3cc12)C(=O)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C07 compound treatment 0.419 -0.0115 -0.55 0.419 -0.0145 -0.88 -1.0048 -0.9742 3026014 ChemDiv3_006387 COC(=O)/C=C/1\NC2CCCCC2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C08 compound treatment 0.43 -4.52E-4 -0.02 0.433 -5.33E-4 -0.03 -0.0379 -0.9811 3118855 ChemDiv3_006388 Clc1cccc(OCc2nc(C#N)c(o2)N3CCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C09 compound treatment 0.56 0.13 6.18 0.552 0.118 7.13 9.4105 0.9974 3026015 ChemDiv3_006389 S=C(SCSc1nc2ccccc2s1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C10 compound treatment 0.39 -0.0405 -1.93 0.386 -0.0475 -2.86 -3.3872 -0.9815 3118856 ChemDiv3_006390 Cc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C11 compound treatment 0.456 0.0255 1.22 0.453 0.0195 1.17 1.69 0.9998 3026016 ChemDiv3_006391 Cc1ccc(cc1C)N2NC(=O)/C(=N/O)/C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C12 compound treatment 0.498 0.0675 3.22 0.509 0.0755 4.54 5.4899 0.9858 3118857 ChemDiv3_006392 O=C/1Nc2ccccc2\C1=C/C3=Cc4ccccc4OC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C13 compound treatment 0.471 0.0405 1.93 0.47 0.0365 2.2 2.9193 0.998 3026017 ChemDiv3_006393 COc1ccc(cc1)c2cc(nc(SCC(=O)N)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C14 compound treatment 0.368 -0.0625 -2.98 0.371 -0.0625 -3.77 -4.7674 -0.9932 1220737 ChemDiv3_006394 CCOC(=O)c1c(c2ccccc2)n(Cc3ccccc3)c4ccc(O)c(CN(C)C)c14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C15 compound treatment 0.426 -0.00445 -0.21 0.425 -0.00853 -0.51 -0.5134 -0.9235 3026018 ChemDiv3_006395 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C16 compound treatment 0.421 -0.00945 -0.45 0.426 -0.00753 -0.45 -0.6393 -1.0 3118858 ChemDiv3_006396 COC(=O)c1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C17 compound treatment 0.437 0.00655 0.31 0.434 4.67E-4 0.03 0.2406 0.7677 3118859 ChemDiv3_006397 CCCNC(=O)CSc1nc(cc(n1)C(F)(F)F)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C18 compound treatment 0.399 -0.0315 -1.5 0.406 -0.0275 -1.66 -2.2324 -0.9987 1323060 ChemDiv3_006398 CC1CCN(Cc2c(O)ccc3occ(C(=O)c4ccccc4)c23)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C19 compound treatment 0.431 5.48E-4 0.03 0.424 -0.00953 -0.57 -0.3874 -0.6742 3118860 ChemDiv3_006399 COC(=O)c1c(NC(=O)CSc2nc(cc(n2)C(F)(F)F)c3ccco3)sc4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C20 compound treatment 0.428 -0.00245 -0.12 0.436 0.00247 0.15 0.0224 0.1184 1256796 ChemDiv3_006400 O=c1[nH]c(CSc2ccccn2)nc3c4ccccc4oc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C21 compound treatment 0.458 0.0275 1.31 0.46 0.0265 1.59 2.0554 0.9954 3118861 ChemDiv3_006401 COc1ccc(cc1)c2cc(nc(SCCC(=O)NCCc3ccccc3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C22 compound treatment 0.417 -0.0135 -0.64 0.42 -0.0135 -0.81 -1.0296 -0.993 3026019 ChemDiv3_006402 O=C(Cc1ccccc1)n2nc3-c4ccccc4C(=O)c5cccc2c35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C23 mock treatment 0.41 -0.0205 -0.97 0.411 -0.0225 -1.36 -1.6487 -0.9869 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 C24 mock treatment 0.421 -0.00945 -0.45 0.416 -0.0175 -1.06 -1.0651 -0.9279 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D01 compound treatment 0.445 0.0145 0.69 0.45 0.0165 0.99 1.1915 0.9847 3118862 ChemDiv3_006403 CSc1nc(nn1C(=O)c2ccccc2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D02 compound treatment 0.613 0.183 8.7 0.6 0.166 10.02 13.2406 0.9975 3118863 ChemDiv3_006404 CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c4ccccc24)/c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D03 compound treatment 0.436 0.00555 0.26 0.438 0.00447 0.27 0.3772 1.0 1476567 ChemDiv3_006405 CCOc1ccc(NC(=O)CSC2=NCCS2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D04 compound treatment 0.424 -0.00645 -0.31 0.425 -0.00853 -0.51 -0.5808 -0.9699 3118864 ChemDiv3_006406 CCOC(=O)C1=C(N)c2ccccc2CC1(C)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D05 compound treatment 0.435 0.00455 0.22 0.431 -0.00253 -0.15 0.0455 0.1715 3026020 ChemDiv3_006407 COC(=O)C(C)(C)C1C(C(=O)N2CCOCC2)C(=O)Oc3ccc(Br)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D06 compound treatment 0.519 0.0885 4.22 0.515 0.0815 4.91 6.4532 0.9972 3118865 ChemDiv3_006408 COC(=O)c1ccccc1NC(=O)CS(=O)(=O)c2nnnn2c3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D07 compound treatment 0.496 0.0655 3.12 0.51 0.0765 4.6 5.465 0.9822 3118866 ChemDiv3_006409 COc1ccc(OC)c(/N=c/2\cc(oc3ccccc23)c4ccc5OCOc5c4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D08 compound treatment 0.538 0.108 5.13 0.547 0.113 6.83 8.456 0.99 3026021 ChemDiv3_006410 Cc1ccc(OCCn2cc(C(=O)c3ccccc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D09 compound treatment 0.44 0.00955 0.46 0.443 0.00947 0.57 0.7249 0.9938 3118867 ChemDiv3_006411 Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(n2)c3ccc(Cl)cc3)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D10 compound treatment 0.432 0.00155 0.07 0.428 -0.00553 -0.33 -0.1834 -0.5374 3026022 ChemDiv3_006412 Cc1cc(C)nc(n1)N2CC(=O)N(CCOc3ccc(Br)cc3)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D11 compound treatment 0.441 0.0105 0.5 0.444 0.0105 0.63 0.8012 0.9937 3026072 ChemDiv3_006413 Nn1c(=O)c2ccccc2n3c(SCC(=O)c4ccccc4)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D12 compound treatment 0.432 0.00155 0.07 0.428 -0.00553 -0.33 -0.1834 -0.5374 3118868 ChemDiv3_006414 O=C(NCn1nnc(n1)c2ccncc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D13 compound treatment 0.395 -0.0355 -1.69 0.408 -0.0255 -1.54 -2.2821 -0.9989 3026073 ChemDiv3_006415 CCOC(=O)NC1(Nc2ccccc2Cl)Oc3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D14 compound treatment 0.503 0.0725 3.46 0.488 0.0545 3.28 4.7643 0.9996 3118869 ChemDiv3_006416 O=C(COc1ccccc1)Nc2nonc2NC(=O)COc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D15 compound treatment 0.433 0.00255 0.12 0.43 -0.00353 -0.21 -0.0645 -0.2634 3118870 ChemDiv3_006417 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCc2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D16 compound treatment 0.439 0.00855 0.41 0.434 4.67E-4 0.03 0.308 0.7541 3026074 ChemDiv3_006418 OC(=O)CC(c1ccccc1)c2cc(Cl)ccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D17 compound treatment 0.445 0.0145 0.69 0.438 0.00447 0.27 0.6806 0.9149 1472447 ChemDiv3_006419 OC1(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D18 compound treatment 0.433 0.00255 0.12 0.434 4.67E-4 0.03 0.1058 0.8483 3118871 ChemDiv3_006420 O=C1CSC2(N1c3ccccc3)C(=O)N(CN4CCCCC4)c5ccccc52 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D19 compound treatment 0.48 0.0495 2.36 0.473 0.0395 2.38 3.3504 1.0 3026075 ChemDiv3_006421 CCCSc1nnc2c3ccccc3n(CC)c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D20 compound treatment 0.417 -0.0135 -0.64 0.424 -0.00953 -0.57 -0.8593 -0.9985 1015796 ChemDiv3_006422 CC(C)(C)c1ccc2OCN(Cc2c1)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D21 compound treatment 0.489 0.0585 2.79 0.508 0.0745 4.48 5.1439 0.974 3118872 ChemDiv3_006423 CCOc1ccc(NC(=O)c2sc(C)c(CC(=O)Nc3ccc(Cl)cc3)c2O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D22 compound treatment 0.474 0.0435 2.08 0.473 0.0395 2.38 3.1482 0.9977 3118873 ChemDiv3_006424 OC(=O)CC12CSc3[nH]c(=O)sc3C2c4ccccc4OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D23 mock treatment 0.427 -0.00345 -0.16 0.427 -0.00653 -0.39 -0.3945 -0.9252 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 D24 mock treatment 0.426 -0.00445 -0.21 0.424 -0.00953 -0.57 -0.5559 -0.9084 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E01 compound treatment 0.434 0.00355 0.17 0.437 0.00347 0.21 0.2672 0.9946 3026076 ChemDiv3_006425 CN(CCO)C(=O)c1ccc(cc1)c2nn(C)c(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E02 compound treatment 0.436 0.00555 0.26 0.442 0.00847 0.51 0.5475 0.9533 3118874 ChemDiv3_006426 CN(C(=O)N1CCN(CC1)c2ccccn2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E03 compound treatment 0.431 5.48E-4 0.03 0.438 0.00447 0.27 0.2087 0.7722 3026077 ChemDiv3_006427 CCOc1ccc(Oc2nc(NCC(C)C)nc(OC)n2)nn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E04 compound treatment 0.441 0.0105 0.5 0.443 0.00947 0.57 0.7586 0.998 3118875 ChemDiv3_006428 Cc1ccccc1C2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c5ccccc5C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E05 compound treatment 0.44 0.00955 0.46 0.431 -0.00253 -0.15 0.214 0.4458 3026078 ChemDiv3_006429 CC(C)(C)Nc1nc(nc(n1)C(=O)O)N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E06 compound treatment 0.448 0.0175 0.84 0.453 0.0195 1.17 1.4203 0.9863 3118876 ChemDiv3_006430 CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E07 compound treatment 0.493 0.0625 2.98 0.492 0.0585 3.52 4.5976 0.9966 3118877 ChemDiv3_006431 O=C(CSc1nn(c2ccccc2)c(=S)s1)N3N=CCC3c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E08 compound treatment 0.447 0.0165 0.79 0.448 0.0145 0.87 1.1737 0.9988 3026079 ChemDiv3_006432 CC1CN(CC(C)O1)c2oc(COc3ccc(C)cc3)nc2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E09 compound treatment 0.479 0.0485 2.31 0.487 0.0535 3.22 3.9128 0.9869 3118878 ChemDiv3_006433 CCOC(=O)c1cnc(SCSc2nc3ccccc3s2)nc1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E10 compound treatment 0.44 0.00955 0.46 0.433 -5.33E-4 -0.03 0.2991 0.6556 3026080 ChemDiv3_006434 CC(=O)Nc1ccc(cc1)c2cn3cccc(C)c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E11 compound treatment 0.438 0.00755 0.36 0.423 -0.0105 -0.63 -0.194 -0.2661 1483046 ChemDiv3_006435 CC(C)OC(=O)c1ccc2[nH]c3CCCCc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E12 compound treatment 0.542 0.112 5.32 0.542 0.108 6.53 8.378 0.9948 3118879 ChemDiv3_006436 O=C(Cn1cc(/C=C\2/C(=O)Nc3ccccc23)c4ccccc14)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E13 compound treatment 0.445 0.0145 0.69 0.454 0.0205 1.23 1.3618 0.963 3026081 ChemDiv3_006437 CCOC(=O)CSc1nc(cc(n1)C(F)(F)F)c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E14 compound treatment 0.442 0.0115 0.55 0.442 0.00847 0.51 0.7497 0.9993 3026082 ChemDiv3_006438 CCOc1ccc(c2ccccc12)S(=O)(=O)n3ccc(C)n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E15 compound treatment 0.439 0.00855 0.41 0.441 0.00747 0.45 0.606 0.9988 3118880 ChemDiv3_006439 CCOC(=O)CS(=O)c1nc(c2CCc3ccccc3-c2n1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E16 compound treatment 0.445 0.0145 0.69 0.448 0.0145 0.87 1.1063 0.9936 3118998 ChemDiv3_006440 OC(=O)c1ccc(NC(=O)C2CC(=O)OC2c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E17 compound treatment 0.456 0.0255 1.22 0.445 0.0115 0.69 1.3494 0.9639 3026083 ChemDiv3_006441 CN(C(=O)CSc1nc(cc(n1)C(F)(F)F)c2cccs2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E18 compound treatment 0.432 0.00155 0.07 0.44 0.00647 0.39 0.3275 0.8264 3118999 ChemDiv3_006442 CCCCN1CCc2c(C1)c3ccccc3n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E19 compound treatment 0.437 0.00655 0.31 0.43 -0.00353 -0.21 0.0703 0.1861 3119000 ChemDiv3_006443 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)N3CCCCC3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E20 compound treatment 0.444 0.0135 0.65 0.447 0.0135 0.81 1.03 0.9936 3026084 ChemDiv3_006444 COc1cccc(OC)c1C2=NCC(=O)Nc3c2oc4ccc(Br)cc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E21 compound treatment 0.491 0.0605 2.89 0.489 0.0555 3.34 4.4024 0.9974 3119001 ChemDiv3_006445 COc1ccc(cc1)c2cc(nc(SCCC(=O)N(C)Cc3ccccc3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E22 compound treatment 0.433 0.00255 0.12 0.444 0.0105 0.63 0.5315 0.8282 3025905 ChemDiv3_006446 O=C(c1ccco1)n2nc3-c4ccccc4C(=O)c5cccc2c35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E23 mock treatment 0.434 0.00355 0.17 0.426 -0.00753 -0.45 -0.2011 -0.4155 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 E24 mock treatment 0.434 0.00355 0.17 0.436 0.00247 0.15 0.2246 0.9979 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F01 compound treatment 0.453 0.0225 1.07 0.446 0.0125 0.75 1.2908 0.9846 3119002 ChemDiv3_006447 CSc1nc(nn1S(=O)(=O)C)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F02 compound treatment 0.701 0.271 12.9 0.695 0.261 15.74 20.2514 0.9951 3119003 ChemDiv3_006448 CCN(CC)C(=O)Cn1cc(/C=C\2/C(=O)N(C)c3ccccc23)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F03 compound treatment 0.444 0.0135 0.65 0.446 0.0125 0.75 0.9874 0.9972 3025907 ChemDiv3_006449 FC(F)(F)c1ccccc1NC(=O)CSC2=NCCS2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F04 compound treatment 0.48 0.0495 2.36 0.47 0.0365 2.2 3.2227 0.9993 3119004 ChemDiv3_006450 O=C(C1CN2C(=C(C1)C(=O)c3ccccc3)Sc4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F05 compound treatment 0.543 0.113 5.37 0.535 0.101 6.11 8.1137 0.9979 3025910 ChemDiv3_006451 CC(C1C(C(=O)c2ccccc2)C(=O)Oc3ccc(Br)cc13)C(=O)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F06 compound treatment 0.495 0.0645 3.08 0.495 0.0615 3.7 4.7927 0.9958 3119005 ChemDiv3_006452 OC(=O)CSc1ncnc2scc(c3ccc(Br)cc3)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F07 compound treatment 0.756 0.326 15.52 0.749 0.315 18.99 24.4044 0.995 3119006 ChemDiv3_006453 Nc1ccccc1/N=c/2\cc(oc3ccccc23)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F08 compound treatment 0.523 0.0925 4.41 0.54 0.106 6.41 7.6524 0.9834 3025912 ChemDiv3_006454 Fc1ccc(Cn2cc(C(=O)c3ccccc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F09 compound treatment 0.453 0.0225 1.07 0.436 0.00247 0.15 0.8651 0.7972 3119007 ChemDiv3_006455 Cc1ccc(C)c(c1)S(=O)(=O)NCC(=O)Nc2nsc(n2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F10 compound treatment 0.438 0.00755 0.36 0.443 0.00947 0.57 0.6575 0.9754 3025914 ChemDiv3_006456 CSc1nc(C)cc(OCC(=O)N2CCCCC2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F11 compound treatment 0.47 0.0395 1.89 0.461 0.0275 1.65 2.5025 0.9979 3119008 ChemDiv3_006457 CC(=O)Nc1sc-2c(CCc3ccccc23)c1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F12 compound treatment 0.505 0.0745 3.55 0.504 0.0705 4.24 5.513 0.9961 3025917 ChemDiv3_006458 Clc1ccc(cc1)N(CCOC(=O)c2cccs2)C3=NS(=O)(=O)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F13 compound treatment 0.445 0.0145 0.69 0.448 0.0145 0.87 1.1063 0.9936 3119009 ChemDiv3_006459 FC(F)(F)C1(NS(=O)(=O)c2ccccc2)OCCO1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F14 compound treatment 0.449 0.0185 0.88 0.438 0.00447 0.27 0.8154 0.8823 3119010 ChemDiv3_006460 COc1ccc(cc1)C(=O)Nc2nonc2NC(=O)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F15 compound treatment 0.448 0.0175 0.84 0.443 0.00947 0.57 0.9946 0.9825 3025920 ChemDiv3_006461 COc1ccc(NC(=O)C2CCCN2c3cccc(c3)C(F)(F)F)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F16 compound treatment 0.451 0.0205 0.98 0.449 0.0155 0.93 1.3511 0.9997 3119011 ChemDiv3_006462 COc1cc2CCN(CCC(=O)N)C(C)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F17 compound treatment 0.462 0.0315 1.5 0.452 0.0185 1.11 1.8496 0.989 3119012 ChemDiv3_006463 CCC(N)CC1(CC2CC3CC(C2)C1)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F18 compound treatment 0.464 0.0335 1.6 0.454 0.0205 1.23 2.0022 0.9917 1787529 ChemDiv3_006464 COc1ccc(OC)c(c1)c2nc(Nc3ccccc3F)sc2CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F19 compound treatment 0.446 0.0155 0.74 0.452 0.0185 1.11 1.3103 0.9806 1696294 ChemDiv3_006465 CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)NC(C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F20 compound treatment 0.435 0.00455 0.22 0.436 0.00247 0.15 0.2583 0.983 3025978 ChemDiv3_006466 CC(C)(C)N1COc2ccc(cc2C1)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F21 compound treatment 0.462 0.0315 1.5 0.463 0.0295 1.77 2.318 0.9966 3119013 ChemDiv3_006467 Clc1ccc(Nc2nnns2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F22 compound treatment 0.44 0.00955 0.46 0.436 0.00247 0.15 0.4269 0.8916 3119014 ChemDiv3_006468 CCC(C)c1ccc(OCCCN2CCN(C)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F23 mock treatment 0.488 0.0575 2.74 0.445 0.0115 0.69 2.428 0.8583 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 F24 mock treatment 0.446 0.0155 0.74 0.442 0.00847 0.51 0.8846 0.9833 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G01 compound treatment 0.424 -0.00645 -0.31 0.427 -0.00653 -0.39 -0.4956 -0.9926 3025980 ChemDiv3_006469 Cn1nc(c2ccc(cc2)C(=O)NCC3CCCO3)c4ccccc4c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G02 compound treatment 0.437 0.00655 0.31 0.436 0.00247 0.15 0.3257 0.9423 3119015 ChemDiv3_006470 Cc1ccc(cc1)C(=O)CC(C(=O)O)n2cccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G03 compound treatment 0.487 0.0565 2.7 0.469 0.0355 2.14 3.4161 0.9933 3119016 ChemDiv3_006471 C(Cn1c2ccccc2c3nc4ccccc4nc13)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G04 compound treatment 0.44 0.00955 0.46 0.442 0.00847 0.51 0.6823 0.9984 3025983 ChemDiv3_006472 CCn1c2NC3=C(C(c4ccsc4)c2c(=O)[nH]c1=O)C(=O)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G05 compound treatment 0.437 0.00655 0.31 0.427 -0.00653 -0.39 -0.0574 -0.1143 3119017 ChemDiv3_006473 CCNc1cc(nc(Oc2ccc(OCCOc3ccccc3C)nn2)n1)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G06 compound treatment 0.442 0.0115 0.55 0.433 -5.33E-4 -0.03 0.3666 0.6647 3119018 ChemDiv3_006474 CCc1c(oc2ccc3c(C)cc(=O)oc3c12)C(C)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G07 compound treatment 0.436 0.00555 0.26 0.434 4.67E-4 0.03 0.2069 0.7778 3025986 ChemDiv3_006475 Cc1ccnc(SCC(=O)N2N=CCC2c3ccccc3)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G08 compound treatment 0.434 0.00355 0.17 0.44 0.00647 0.39 0.3949 0.9303 3026041 ChemDiv3_006476 CN(C)CCNc1oc(COc2ccc(C)cc2)nc1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G09 compound treatment 0.548 0.118 5.6 0.54 0.106 6.41 8.4951 0.9978 3119019 ChemDiv3_006477 COC(=O)/C=c\1/sc2=NC(C)(C)C=C(C)n2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G10 compound treatment 0.488 0.0575 2.74 0.485 0.0515 3.1 4.131 0.9982 3026044 ChemDiv3_006478 CC(=O)NCCSc1nc(cc(c1C#N)c2ccc(F)cc2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G11 compound treatment 0.462 0.0315 1.5 0.466 0.0325 1.95 2.4457 0.9916 3119020 ChemDiv3_006479 FC(F)(F)c1nn(CC(=O)N(Cc2ccccc2)Cc3ccccc3)c4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G12 compound treatment 0.641 0.211 10.04 0.644 0.21 12.67 16.0577 0.9933 3119021 ChemDiv3_006480 CC1CCCC(C)N1C(=O)Cn2cc(/C=C\3/C(=O)N(C)c4ccccc34)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G13 compound treatment 0.44 0.00955 0.46 0.447 0.0135 0.81 0.8952 0.9627 3026047 ChemDiv3_006481 COc1ccc(cc1)c2cc(nc(SCC(=O)N(C)C3CCCCC3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G14 compound treatment 0.461 0.0305 1.46 0.464 0.0305 1.83 2.3268 0.9935 3119022 ChemDiv3_006482 CCc1ccc(cc1)n2cc3C(=O)CC(C)(C)Cc3c(C#N)c2=N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G15 compound treatment 0.435 0.00455 0.22 0.437 0.00347 0.21 0.3009 0.9998 3026050 ChemDiv3_006483 CC(Sc1nc(cc(n1)C(F)(F)F)c2ccccc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G16 compound treatment 0.444 0.0135 0.65 0.438 0.00447 0.27 0.6469 0.9246 3119023 ChemDiv3_006484 CC1(C)CC(CCc2nnc(S)[nH]2)C(=O)O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G17 compound treatment 0.446 0.0155 0.74 0.438 0.00447 0.27 0.7143 0.9059 3119024 ChemDiv3_006485 FC(F)(F)c1cc(nc(SCC(=O)NCc2ccncc2)n1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G18 compound treatment 0.445 0.0145 0.69 0.44 0.00647 0.39 0.7657 0.9627 3026052 ChemDiv3_006486 CCOC(=O)c1oc2ccccc2c1CN3CCN(CC3)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G19 compound treatment 0.438 0.00755 0.36 0.434 4.67E-4 0.03 0.2743 0.76 3119025 ChemDiv3_006487 CC(C)CNC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G20 compound treatment 0.438 0.00755 0.36 0.429 -0.00453 -0.27 0.0614 0.136 3026055 ChemDiv3_006488 Cc1cc(C)nc(SCCc2ccncc2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G21 compound treatment 0.474 0.0435 2.08 0.476 0.0425 2.56 3.2759 0.9947 3119026 ChemDiv3_006489 COc1ccc(cc1)c2cc(nc(SCCC(=O)N(C)c3ccccc3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G22 compound treatment 0.431 5.48E-4 0.03 0.427 -0.00653 -0.39 -0.2597 -0.6587 3026105 ChemDiv3_006490 O=C(C1CCCCC1)n2nc3-c4ccccc4C(=O)c5cccc2c35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G23 mock treatment 0.429 -0.00145 -0.07 0.428 -0.00553 -0.33 -0.2845 -0.8361 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 G24 mock treatment 0.43 -4.52E-4 -0.02 0.425 -0.00853 -0.51 -0.3785 -0.7361 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H01 compound treatment 0.468 0.0375 1.79 0.468 0.0345 2.08 2.7331 0.9973 3119150 ChemDiv3_006491 CSc1nc(nn1S(=O)(=O)c2ccc(Cl)cc2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H02 compound treatment 0.439 0.00855 0.41 0.436 0.00247 0.15 0.3932 0.9065 3119151 ChemDiv3_006492 CCc1cccc2c(/C=C\3/C(=O)N(C)c4ccccc34)cn(CC(=O)NC5CCCC5)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H03 compound treatment 0.438 0.00755 0.36 0.434 4.67E-4 0.03 0.2743 0.76 3026108 ChemDiv3_006493 O=C(CSC1=NCCS1)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H04 compound treatment 0.422 -0.00845 -0.4 0.433 -5.33E-4 -0.03 -0.3076 -0.7611 3026109 ChemDiv3_006494 CC(CN(C)Cc1ccccc1)OC(=O)c2cc3ccccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H05 compound treatment 0.501 0.0705 3.36 0.478 0.0445 2.68 4.2712 0.9936 3119152 ChemDiv3_006495 CC1(C2c3cc(Br)ccc3OC(=O)C21C(=O)N4CCCCC4)C(=O)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H06 compound treatment 0.441 0.0105 0.5 0.431 -0.00253 -0.15 0.2477 0.4714 1700700 ChemDiv3_006496 CC(C(=O)O)n1cnc2scc(c3ccc(Cl)cc3)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H07 compound treatment 0.48 0.0495 2.36 0.465 0.0315 1.89 3.0098 0.994 3119153 ChemDiv3_006497 Cc1cc2c3c(C)n(C4CCCCC4)c(C)c3c(C)nn2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H08 compound treatment 0.541 0.111 5.27 0.546 0.112 6.77 8.5146 0.9923 3119154 ChemDiv3_006498 O=C(c1cn(CCCOc2ccccc2)c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H09 compound treatment 0.496 0.0655 3.12 0.503 0.0695 4.18 5.167 0.9897 3026112 ChemDiv3_006499 CCC(C)c1ccc(OCC(=O)Nc2cccc(c3nc4ncccc4o3)c2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H10 compound treatment 0.41 -0.0205 -0.97 0.407 -0.0265 -1.6 -1.819 -0.9719 3119155 ChemDiv3_006500 COc1ccc(cc1OC)c2nc3ccccc3n2C(=O)c4ccccc4C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H11 compound treatment 0.48 0.0495 2.36 0.479 0.0455 2.74 3.6059 0.9973 3119156 ChemDiv3_006501 Cn1cc(C2CC(=O)N(C2=O)c3ccc(Br)cc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H12 compound treatment 0.425 -0.00545 -0.26 0.425 -0.00853 -0.51 -0.5471 -0.9501 3026114 ChemDiv3_006502 FC(F)(F)c1cccc(c1)c2ccc(o2)c3nn4c(nnc4s3)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H13 compound treatment 0.426 -0.00445 -0.21 0.436 0.00247 0.15 -0.045 -0.1739 3119157 ChemDiv3_006503 COC(=O)c1ccc(NC(=O)NC(=O)C(F)(F)F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H14 compound treatment 0.47 0.0395 1.89 0.467 0.0335 2.02 2.7579 0.9994 3026116 ChemDiv3_006504 Clc1cccc(Cl)c1COC(=O)CCc2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H15 compound treatment 0.432 0.00155 0.07 0.438 0.00447 0.27 0.2424 0.869 3119158 ChemDiv3_006505 Cc1cc(C)c(N2CCCC2C(=O)Nc3cccc(c3)C(F)(F)F)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H16 compound treatment 0.429 -0.00145 -0.07 0.42 -0.0135 -0.81 -0.6251 -0.7644 1253000 ChemDiv3_006506 OC(=O)Cn1cnc(c1)c2ccc(Br)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H17 compound treatment 0.445 0.0145 0.69 0.441 0.00747 0.45 0.8083 0.978 3119159 ChemDiv3_006507 CC(C)(CN)C1(CC2CC3CC(C2)C1)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H18 compound treatment 0.524 0.0935 4.46 0.512 0.0785 4.72 6.494 0.9996 3026118 ChemDiv3_006508 COc1ccc2-c3nc(NC(=O)c4ccc(OC)c(Br)c4)sc3Cc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H19 compound treatment 0.46 0.0295 1.41 0.461 0.0275 1.65 2.1654 0.9968 3119160 ChemDiv3_006509 CCCn1c2ccccc2c3nnc(SC(CC)C(=O)Nc4nc(C)c(s4)C(=O)OCC)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H20 compound treatment 0.422 -0.00845 -0.4 0.424 -0.00953 -0.57 -0.6908 -0.985 3119161 ChemDiv3_006510 CC(=O)Nc1ccc(cc1)N2COc3ccc(NC(=O)C)cc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H21 compound treatment 0.485 0.0545 2.6 0.486 0.0525 3.16 4.0725 0.9953 3026188 ChemDiv3_006511 Cc1ccc(Nc2nnns2)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H22 compound treatment 0.502 0.0715 3.41 0.506 0.0725 4.36 5.497 0.9926 3026189 ChemDiv3_006512 Cc1ccc(OCCn2ncc3ccccc3c2=O)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H23 mock treatment 0.437 0.00655 0.31 0.428 -0.00553 -0.33 -0.0148 -0.0325 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 H24 mock treatment 0.42 -0.0105 -0.5 0.427 -0.00653 -0.39 -0.6305 -0.9932 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I01 compound treatment 0.439 0.00855 0.41 0.434 4.67E-4 0.03 0.308 0.7541 3119162 ChemDiv3_006513 CC1CCN(CC1)C(=O)c2ccc(cc2)c3nn(C)c(=O)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I02 compound treatment 0.458 0.0275 1.31 0.469 0.0355 2.14 2.4386 0.9727 3026192 ChemDiv3_006514 COc1ccc(cc1)c2c(C#N)c(SCC(=O)c3ccccc3)nc4CC(C)(C)CC(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I03 compound treatment 0.512 0.0815 3.89 0.519 0.0855 5.15 6.3875 0.9904 3119163 ChemDiv3_006515 CCCn1c2ccc(CC)cc2c3nc4ccccc4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I04 compound treatment 0.431 5.48E-4 0.03 0.432 -0.00153 -0.09 -0.0468 -0.4877 3119164 ChemDiv3_006516 CCC(=O)c1ccc(N2CCN(CC2)C(=O)c3ccco3)c(F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I05 compound treatment 0.428 -0.00245 -0.12 0.425 -0.00853 -0.51 -0.4459 -0.8463 3026195 ChemDiv3_006517 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)Nc4ccc5ncccc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I06 compound treatment 0.471 0.0405 1.93 0.452 0.0185 1.11 2.153 0.9655 3119165 ChemDiv3_006518 CC(Nc1oc(COc2ccccc2C)nc1C#N)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I07 compound treatment 0.439 0.00855 0.41 0.427 -0.00653 -0.39 0.01 0.0176 3119166 ChemDiv3_006519 O=C(NCc1ccccc1)C2CC(=O)NC(=N2)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I08 compound treatment 0.435 0.00455 0.22 0.439 0.00547 0.33 0.3861 0.9795 3026198 ChemDiv3_006520 COc1ccc(OCc2nc(C#N)c(o2)N3CCOCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I09 compound treatment 0.427 -0.00345 -0.16 0.434 4.67E-4 0.03 -0.0965 -0.578 3119167 ChemDiv3_006521 Cc1nc(NC2=NCN(Cc3ccccc3)CN2)nc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I10 compound treatment 0.44 0.00955 0.46 0.434 4.67E-4 0.03 0.3417 0.7493 3026200 ChemDiv3_006522 CC(C)Cn1c(=O)oc2ccc(C)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I11 compound treatment 0.434 0.00355 0.17 0.427 -0.00653 -0.39 -0.1585 -0.3703 3119168 ChemDiv3_006523 CN(C(=O)Cn1nc(c2CCCCc21)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I12 compound treatment 0.654 0.224 10.66 0.649 0.215 12.97 16.7087 0.9952 3026203 ChemDiv3_006524 CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c4ccccc24)/c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I13 compound treatment 0.448 0.0175 0.84 0.447 0.0135 0.81 1.1649 0.9999 3119169 ChemDiv3_006525 COc1ccc(cc1)c2cc(nc(SCC(=O)N3CC4(C)CC3CC(C)(C)C4)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I14 compound treatment 0.437 0.00655 0.31 0.436 0.00247 0.15 0.3257 0.9423 3026268 ChemDiv3_006526 Cc1[nH]c2ccccc2c1Cc3n[nH]c(=S)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I15 compound treatment 0.429 -0.00145 -0.07 0.424 -0.00953 -0.57 -0.4548 -0.7867 3119170 ChemDiv3_006527 CC(Sc1nc(cc(n1)C(F)(F)F)c2ccccc2)C(=O)Nc3cc(C)on3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I16 compound treatment 0.444 0.0135 0.65 0.434 4.67E-4 0.03 0.4766 0.7372 3119171 ChemDiv3_006528 CC(CC1CC(C)(C)OC1=O)c2nnc(S)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I17 compound treatment 0.439 0.00855 0.41 0.445 0.0115 0.69 0.7763 0.9684 3026271 ChemDiv3_006529 FC(F)(F)c1cc(nc(SCC(=O)N2CCSCC2)n1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I18 compound treatment 0.479 0.0485 2.31 0.494 0.0605 3.64 4.2108 0.9761 3119172 ChemDiv3_006530 OC(=O)c1oc2ccc(Br)cc2c1n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I19 compound treatment 0.446 0.0155 0.74 0.435 0.00147 0.09 0.5865 0.7858 3119173 ChemDiv3_006531 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCc3ccncc3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I20 compound treatment 0.438 0.00755 0.36 0.434 4.67E-4 0.03 0.2743 0.76 3026273 ChemDiv3_006532 COc1ccc2oc(C(=O)CCC(=O)O)c(N)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I21 compound treatment 0.5 0.0695 3.32 0.516 0.0825 4.97 5.8553 0.9807 3119174 ChemDiv3_006533 COc1ccc(cc1)c2cc(nc(SCCC(=O)Nc3ccccc3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I22 compound treatment 0.433 0.00255 0.12 0.438 0.00447 0.27 0.2761 0.9355 3026275 ChemDiv3_006534 CN(C)CCN1C(=O)C(=C(C(=O)c2ccc(C)cc2)C13C(=O)N(C)c4ccccc43)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I23 mock treatment 0.431 5.48E-4 0.03 0.431 -0.00253 -0.15 -0.0894 -0.5775 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 I24 mock treatment 0.424 -0.00645 -0.31 0.458 0.0245 1.47 0.8242 0.5477 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J01 compound treatment 0.445 0.0145 0.69 0.441 0.00747 0.45 0.8083 0.978 3119175 ChemDiv3_006535 CCS(=O)(=O)n1nc(nc1SC)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J02 compound treatment 0.845 0.415 19.76 0.782 0.348 20.98 28.8093 0.9996 3026278 ChemDiv3_006536 CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)/c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J03 compound treatment 0.415 -0.0155 -0.74 0.418 -0.0155 -0.94 -1.1822 -0.993 3119176 ChemDiv3_006537 CC(Nc1nc(nc2ccccc12)N3CCNCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J04 compound treatment 0.427 -0.00345 -0.16 0.429 -0.00453 -0.27 -0.3094 -0.9706 3119177 ChemDiv3_006538 CC(CN(C)Cc1ccccc1)OC(=O)C2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J05 compound treatment 0.44 0.00955 0.46 0.431 -0.00253 -0.15 0.214 0.4458 3026280 ChemDiv3_006539 OC1(C(OC(=O)C21CCCCC2)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J06 compound treatment 0.504 0.0735 3.51 0.488 0.0545 3.28 4.798 0.9994 3119178 ChemDiv3_006540 Cc1ccc(OCCn2cc(/C=C\3/C(=O)Nc4cc(Cl)ccc34)c5ccccc25)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J07 compound treatment 0.541 0.111 5.27 0.53 0.0965 5.81 7.8334 0.9988 3026350 ChemDiv3_006541 CCOc1ccc(cc1)C2C(=C(N)Oc3c2ccc(=O)c4c(C)oc(C)c34)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J08 compound treatment 0.429 -0.00145 -0.07 0.429 -0.00453 -0.27 -0.2419 -0.8592 3119295 ChemDiv3_006542 CC1CCCCN1C(=O)Cn2cc(C(=O)c3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J09 compound treatment 0.435 0.00455 0.22 0.433 -5.33E-4 -0.03 0.1306 0.5959 3026352 ChemDiv3_006543 COc1ccc(C[N+](C)(C)C2CCCCC2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J10 compound treatment 0.472 0.0415 1.98 0.472 0.0385 2.32 3.0382 0.997 3119296 ChemDiv3_006544 Cc1ccc(Cn2c(nc3ccccc23)C4CN(C(=O)C4)c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J11 compound treatment 0.43 -4.52E-4 -0.02 0.429 -0.00453 -0.27 -0.2082 -0.7605 1183983 ChemDiv3_006545 CC1(CN2CC3(C)CN(C1)C2c4ccccc4)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J12 compound treatment 0.461 0.0305 1.46 0.456 0.0225 1.35 1.9862 0.9993 3119297 ChemDiv3_006546 Clc1ccc(cc1)S(=O)(=O)NC2CCCCC2SC3=NCCS3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J13 compound treatment 0.443 0.0125 0.6 0.434 4.67E-4 0.03 0.4428 0.7395 3119298 ChemDiv3_006547 CC(C)C1CCC(C)CC1OC(=O)NC(=O)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J14 compound treatment 0.43 -4.52E-4 -0.02 0.423 -0.0105 -0.63 -0.4637 -0.7307 3026356 ChemDiv3_006548 CCc1ccc(cc1)C2N(C(=O)c3oc4ccccc4c(=O)c23)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J15 compound treatment 0.475 0.0445 2.12 0.478 0.0445 2.68 3.3948 0.9934 1556642 ChemDiv3_006549 OC(=O)CCC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(Br)ccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J16 compound treatment 0.428 -0.00245 -0.12 0.424 -0.00953 -0.57 -0.4885 -0.834 3026357 ChemDiv3_006550 CCCN(CCC)Cc1c(nnn1c2nonc2N)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J17 compound treatment 0.501 0.0705 3.36 0.498 0.0645 3.88 5.1227 0.9974 1720359 ChemDiv3_006551 Cc1c(CCNS(=O)(=O)c2ccc(Br)cc2)c3ccccc3n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J18 compound treatment 0.527 0.0965 4.6 0.519 0.0855 5.15 6.8931 0.9984 3119299 ChemDiv3_006552 COc1ccc2-c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)sc3CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J19 compound treatment 0.435 0.00455 0.22 0.432 -0.00153 -0.09 0.088 0.3736 3026360 ChemDiv3_006553 Cc1c(NC(=O)CSc2ccccn2)c(=O)n(c3ccccc3)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J20 compound treatment 0.408 -0.0225 -1.07 0.41 -0.0235 -1.42 -1.7587 -0.9904 1032134 ChemDiv3_006554 Brc1ccc2OCN(Cc2c1)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J21 compound treatment 0.499 0.0685 3.27 0.498 0.0645 3.88 5.0553 0.9963 1787632 ChemDiv3_006555 Cc1ccc(cc1)c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J22 compound treatment 0.422 -0.00845 -0.4 0.427 -0.00653 -0.39 -0.563 -0.9999 3025861 ChemDiv3_006556 CC1CCN(CCCOc2c(C)cccc2CC=C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J23 mock treatment 0.423 -0.00745 -0.36 0.424 -0.00953 -0.57 -0.6571 -0.9734 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 J24 mock treatment 0.424 -0.00645 -0.31 0.435 0.00147 0.09 -0.155 -0.4845 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K01 compound treatment 0.428 -0.00245 -0.12 0.43 -0.00353 -0.21 -0.2331 -0.9602 3119300 ChemDiv3_006557 CCC(=O)N1CCN(CC1)c2nnc(c3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K02 compound treatment 0.533 0.103 4.89 0.538 0.104 6.29 7.9043 0.9922 3025864 ChemDiv3_006558 CCc1c(C#N)c(SCC(=O)c2ccc3OCOc3c2)nc4CC(C)(C)CC(=O)c14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K03 compound treatment 0.436 0.00555 0.26 0.438 0.00447 0.27 0.3772 1.0 3119301 ChemDiv3_006559 COc1ccc(CC(=O)n2nc(C)cc2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K04 compound treatment 0.525 0.0945 4.51 0.511 0.0775 4.66 6.4851 0.9999 3119302 ChemDiv3_006560 COc1ccc(NC(=O)C(C)Oc2ccc3c(C)c(CCC(C)C)c(=O)oc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K05 compound treatment 0.443 0.0125 0.6 0.432 -0.00153 -0.09 0.3577 0.591 3025867 ChemDiv3_006561 Cc1ccc(cc1)S(=O)(=O)/N=C(/Nc2nc(C)cc(C)n2)\N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K06 compound treatment 0.44 0.00955 0.46 0.444 0.0105 0.63 0.7675 0.9872 3119303 ChemDiv3_006562 Fc1ccccc1OCc2nc(C#N)c(NCC=C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K07 compound treatment 0.445 0.0145 0.69 0.423 -0.0105 -0.63 0.0419 0.0446 3119304 ChemDiv3_006563 C(N1CNC(=NC1)Nc2nc3ccccc3o2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K08 compound treatment 0.452 0.0215 1.03 0.436 0.00247 0.15 0.8314 0.801 3025924 ChemDiv3_006564 Cc1cccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K09 compound treatment 0.427 -0.00345 -0.16 0.428 -0.00553 -0.33 -0.3519 -0.9471 3119305 ChemDiv3_006565 COC(=O)CC1N(CCNC1=O)C(=O)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K10 compound treatment 0.438 0.00755 0.36 0.435 0.00147 0.09 0.3169 0.8553 3119306 ChemDiv3_006566 CCOC(=O)Cn1c(=O)oc2ccc(C)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K11 compound treatment 0.44 0.00955 0.46 0.435 0.00147 0.09 0.3843 0.8288 3025928 ChemDiv3_006567 COc1cccc(c1)c2cc(n3ncc(C(=O)N(C)CCc4ccccn4)c3n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K12 compound treatment 0.487 0.0565 2.7 0.478 0.0445 2.68 3.7993 1.0 3119307 ChemDiv3_006568 COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nnc(S)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K13 compound treatment 0.45 0.0195 0.93 0.436 0.00247 0.15 0.7639 0.8096 3119308 ChemDiv3_006569 CC(C)NC(=O)CSc1nc(cc(n1)C(F)(F)F)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K14 compound treatment 0.435 0.00455 0.22 0.437 0.00347 0.21 0.3009 0.9998 3025932 ChemDiv3_006570 Cc1[nH]c2ccccc2c1Cc3nnc(SCC=C)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K15 compound treatment 0.429 -0.00145 -0.07 0.432 -0.00153 -0.09 -0.1142 -0.9899 3119309 ChemDiv3_006571 CC(Sc1nc(cc(n1)C(F)(F)F)c2ccccc2)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K16 compound treatment 0.444 0.0135 0.65 0.442 0.00847 0.51 0.8172 0.9931 3025934 ChemDiv3_006572 CC1CC(CCC(=O)Nc2ccc(cc2)S(=O)(=O)N)C(=O)O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K17 compound treatment 0.498 0.0675 3.22 0.501 0.0675 4.06 5.1493 0.9934 3119310 ChemDiv3_006573 NC(=O)c1c(NC(=O)CSc2nc(cc(n2)C(F)(F)F)c3cccs3)sc4CCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K18 compound treatment 0.454 0.0235 1.12 0.451 0.0175 1.05 1.5374 0.9995 3025938 ChemDiv3_006574 COC(=O)CCC(=O)c1oc2ccc(OC)cc2c1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K19 compound treatment 0.433 0.00255 0.12 0.436 0.00247 0.15 0.1909 0.995 3119311 ChemDiv3_006575 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N(C)Cc3cn(C)nc3C)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K20 compound treatment 0.41 -0.0205 -0.97 0.404 -0.0295 -1.78 -1.9467 -0.96 3025991 ChemDiv3_006576 CCOC(=O)c1c(CSC(=N)N)n(c2ccccc2)c3cc(Br)c(OC(=O)C)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K21 compound treatment 0.425 -0.00545 -0.26 0.427 -0.00653 -0.39 -0.4619 -0.9798 3119312 ChemDiv3_006577 CCN1C(=O)c2ccc(cc2C1=O)c3nc4cc(Cl)ccc4c(=O)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K22 compound treatment 0.438 0.00755 0.36 0.434 4.67E-4 0.03 0.2743 0.76 3025994 ChemDiv3_006578 COCCN1C(=O)C(=C(C(=O)c2ccccc2)C13C(=O)N(CC=C)c4ccccc43)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K23 mock treatment 0.439 0.00855 0.41 0.426 -0.00753 -0.45 -0.0326 -0.0534 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 K24 mock treatment 0.438 0.00755 0.36 0.447 0.0135 0.81 0.8278 0.9331 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L01 compound treatment 0.46 0.0295 1.41 0.434 4.67E-4 0.03 1.0159 0.7211 3119313 ChemDiv3_006579 Nc1nc(nn1S(=O)(=O)c2ccc(Cl)cc2)C(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L02 compound treatment 0.533 0.103 4.89 0.534 0.1 6.05 7.734 0.9944 3119314 ChemDiv3_006580 CCn1cc(/C=C\2/C(=O)N(c3ccccc23)c4ccccc4)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L03 compound treatment 0.467 0.0365 1.74 0.454 0.0205 1.23 2.1033 0.9856 3025997 ChemDiv3_006581 OC1=NC(Nc2sc3CCCCc3c12)c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L04 compound treatment 0.435 0.00455 0.22 0.437 0.00347 0.21 0.3009 0.9998 3025999 ChemDiv3_006582 OC(=O)CCNC1=NC(=O)CS1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L05 compound treatment 0.459 0.0285 1.36 0.452 0.0185 1.11 1.7485 0.995 3119315 ChemDiv3_006583 O=C1N(NC(c2ccco2)C31CCCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L06 compound treatment 0.441 0.0105 0.5 0.448 0.0145 0.87 0.9715 0.9659 3119316 ChemDiv3_006584 O=C(Cn1cc(C(=O)C2CC2)c3ccccc13)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L07 compound treatment 0.481 0.0505 2.41 0.505 0.0715 4.3 4.7465 0.9624 3026002 ChemDiv3_006585 Cc1cc2c3c(C)n(Cc4ccccc4)c(C)c3c(C)nn2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L08 compound treatment 0.406 -0.0245 -1.17 0.431 -0.00253 -0.15 -0.9321 -0.7929 3119317 ChemDiv3_006586 COc1ccc(OCc2nnc3SCC(=Nn23)c4ccc(Br)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L09 compound treatment 0.474 0.0435 2.08 0.465 0.0315 1.89 2.8076 0.999 1874485 ChemDiv3_006587 Cc1ccc(cc1)S(=O)(=O)N2CCCC3(CCCCC3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L10 compound treatment 0.434 0.00355 0.17 0.431 -0.00253 -0.15 0.0118 0.0516 3119318 ChemDiv3_006588 O=C(N1CCC(CC1)N(CCc2ccccc2)Cc3ccccc3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L11 compound treatment 0.479 0.0485 2.31 0.46 0.0265 1.59 2.7633 0.9834 3026058 ChemDiv3_006589 Cc1ccc(cc1)S(=O)(=O)N2CC3(C)CN(CC(C)(C2)C3)S(=O)(=O)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L12 compound treatment 0.488 0.0575 2.74 0.486 0.0525 3.16 4.1736 0.9975 3119319 ChemDiv3_006590 Clc1ccc(cc1)S(=O)(=O)NC2CCCCC2Sc3nc4ccccc4o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L13 compound treatment 0.54 0.11 5.22 0.53 0.0965 5.81 7.7997 0.9986 3119320 ChemDiv3_006591 OC(CSc1cccc2cccnc12)Cn3c4ccccc4c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L14 compound treatment 0.45 0.0195 0.93 0.433 -5.33E-4 -0.03 0.6362 0.6823 3026062 ChemDiv3_006592 Fc1ccccc1c2n[nH]c(=S)n2CCCN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L15 compound treatment 0.423 -0.00745 -0.36 0.426 -0.00753 -0.45 -0.5719 -0.9927 3026063 ChemDiv3_006593 Clc1ccc2c(c1)c(nc3nncn32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L16 compound treatment 0.445 0.0145 0.69 0.434 4.67E-4 0.03 0.5103 0.7352 3119449 ChemDiv3_006594 CCOC(=O)c1nnn(c2nonc2N)c1c3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L17 compound treatment 0.456 0.0255 1.22 0.442 0.00847 0.51 1.2216 0.9253 3026067 ChemDiv3_006595 OC1=NN(CC1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L18 compound treatment 0.531 0.101 4.79 0.514 0.0805 4.84 6.8151 1.0 3119450 ChemDiv3_006596 COc1ccc2CCc3sc(NC(=O)c4ccccc4Br)nc3-c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L19 compound treatment 0.467 0.0365 1.74 0.474 0.0405 2.44 2.9548 0.9865 3119451 ChemDiv3_006597 Cc1ccc(cc1)S(=O)(=O)/N=C\2/S\C(=C/c3ccc4ccccc4n3)\C(=O)N2CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L20 compound treatment 0.408 -0.0225 -1.07 0.405 -0.0285 -1.72 -1.9716 -0.9741 3026070 ChemDiv3_006598 CC(=O)Nc1ccc(cc1)N2COc3ccc(Cl)cc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L21 compound treatment 0.493 0.0625 2.98 0.49 0.0565 3.4 4.5124 0.9979 3119452 ChemDiv3_006599 Cc1ccc(cc1)c2nc(Nc3cccc(c3)C(F)(F)F)sc2CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L22 compound treatment 0.431 5.48E-4 0.03 0.437 0.00347 0.21 0.1661 0.7895 3027037 ChemDiv3_006600 CC1CCN(CCCOc2ccc(Br)cc2C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L23 mock treatment 0.442 0.0115 0.55 0.444 0.0105 0.63 0.8349 0.9977 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 L24 mock treatment 0.432 0.00155 0.07 0.448 0.0145 0.87 0.6681 0.7643 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M01 compound treatment 0.455 0.0245 1.17 0.439 0.00547 0.33 1.0602 0.8722 3027038 ChemDiv3_006601 O=C(Nc1ccccc1)N2CCN(CC2)c3nnc(c4ccccc4)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M02 compound treatment 0.438 0.00755 0.36 0.44 0.00647 0.39 0.5298 0.9992 3027039 ChemDiv3_006602 C(Sc1nnc2ccccn12)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M03 compound treatment 0.523 0.0925 4.41 0.529 0.0955 5.75 7.1841 0.9915 3027040 ChemDiv3_006603 NS(=O)(=O)c1ccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M04 compound treatment 0.418 -0.0125 -0.59 0.413 -0.0205 -1.24 -1.2939 -0.9435 1240987 ChemDiv3_006604 CCc1cc2c(C)cc(=O)oc2c(CC=C)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M05 compound treatment 0.443 0.0125 0.6 0.434 4.67E-4 0.03 0.4428 0.7395 3027041 ChemDiv3_006605 Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M06 compound treatment 0.449 0.0185 0.88 0.436 0.00247 0.15 0.7302 0.8145 3027042 ChemDiv3_006606 COc1ccccc1OCc2nc(C#N)c(o2)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M07 compound treatment 0.429 -0.00145 -0.07 0.432 -0.00153 -0.09 -0.1142 -0.9899 3119453 ChemDiv3_006607 C(N1CNC(=NC1)Nc2nc3ccccc3s2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M08 compound treatment 0.48 0.0495 2.36 0.469 0.0355 2.14 3.1801 0.9987 3119454 ChemDiv3_006608 Clc1ccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M09 compound treatment 0.431 5.48E-4 0.03 0.433 -5.33E-4 -0.03 -0.0042 -0.102 3027043 ChemDiv3_006609 COC(=O)CC1N(CCNC1=O)C(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M10 compound treatment 0.438 0.00755 0.36 0.428 -0.00553 -0.33 0.0189 0.0385 3119455 ChemDiv3_006610 Cc1cccc(c1)N(C2CS(=O)(=O)C=C2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M11 compound treatment 0.485 0.0545 2.6 0.487 0.0535 3.22 4.115 0.9944 3027044 ChemDiv3_006611 NC(=O)CSc1nc(c2CCc3ccccc3-c2n1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M12 compound treatment 0.435 0.00455 0.22 0.432 -0.00153 -0.09 0.088 0.3736 3119456 ChemDiv3_006612 Cc1ccc(cc1)C(=O)NCC2OCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M13 compound treatment 0.482 0.0515 2.46 0.469 0.0355 2.14 3.2476 0.9976 3119457 ChemDiv3_006613 CC(C)CNC(=O)CSc1nc(cc(n1)C(F)(F)F)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M14 compound treatment 0.442 0.0115 0.55 0.44 0.00647 0.39 0.6646 0.9856 3027045 ChemDiv3_006614 CCOC(=O)c1ccc(cc1)N2C(=O)C(C)C(Cc3cc(C)cc(C)c3)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M15 compound treatment 0.483 0.0525 2.5 0.485 0.0515 3.1 3.9625 0.9944 3119458 ChemDiv3_006615 CC(Sc1nc(cc(n1)C(F)(F)F)c2ccccc2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M16 compound treatment 0.437 0.00655 0.31 0.433 -5.33E-4 -0.03 0.198 0.631 3027046 ChemDiv3_006616 Oc1ccc(Br)cc1C(CC(=O)NCCCN2CCOCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M17 compound treatment 0.497 0.0665 3.17 0.494 0.0605 3.64 4.8175 0.9976 3119459 ChemDiv3_006617 FC(F)(F)c1cc(nc(SCC(=O)N(Cc2ccccc2)Cc3ccccc3)n1)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M18 compound treatment 0.465 0.0345 1.65 0.452 0.0185 1.11 1.9508 0.9817 3027047 ChemDiv3_006618 Cc1nc(SCCC(=O)O)c2oc3ccccc3c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M19 compound treatment 0.457 0.0265 1.27 0.455 0.0215 1.29 1.8088 0.9999 3119460 ChemDiv3_006619 COc1ccc(cc1OC)c2cc(nc(SCC(=O)Nc3cn(C)nc3C)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M20 compound treatment 0.496 0.0655 3.12 0.498 0.0645 3.88 4.9541 0.9942 3119461 ChemDiv3_006620 CCOC(=O)c1c(CSc2nc3ccccc3[nH]2)n(c4ccccc4)c5ccc(OC(=O)C)cc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M21 compound treatment 0.425 -0.00545 -0.26 0.425 -0.00853 -0.51 -0.5471 -0.9501 3027048 ChemDiv3_006621 Clc1ccc(CC(=O)NC2=NCCS2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M22 compound treatment 0.438 0.00755 0.36 0.449 0.0155 0.93 0.9129 0.9144 3119462 ChemDiv3_006622 CN1C(=O)C2(N(CC3CCCO3)C(=O)C(=C2C(=O)c4ccc(OCC=C)cc4)O)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M23 mock treatment 0.423 -0.00745 -0.36 0.428 -0.00553 -0.33 -0.4868 -0.9995 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 M24 mock treatment 0.432 0.00155 0.07 0.44 0.00647 0.39 0.3275 0.8264 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N01 compound treatment 0.443 0.0125 0.6 0.432 -0.00153 -0.09 0.3577 0.591 3027049 ChemDiv3_006623 COc1ccc(CNc2nc(N)n(n2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N02 compound treatment 0.69 0.26 12.37 0.705 0.271 16.34 20.3064 0.9906 3119463 ChemDiv3_006624 COCCn1c(C)cc(/C=C\2/C(=O)N(c3ccccc23)c4ccccc4)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N03 compound treatment 0.449 0.0185 0.88 0.45 0.0165 0.99 1.3263 0.9984 3027050 ChemDiv3_006625 CCOC(=O)N1CCc2c(C1)sc3NC(N=C(O)c23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N04 compound treatment 0.442 0.0115 0.55 0.433 -5.33E-4 -0.03 0.3666 0.6647 3119464 ChemDiv3_006626 COC(=O)c1ccc(cc1)n2nnnc2SCCCC(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N05 compound treatment 0.444 0.0135 0.65 0.433 -5.33E-4 -0.03 0.434 0.6711 3027051 ChemDiv3_006627 COC(=O)CNc1c(F)c(F)nc(F)c1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N06 compound treatment 0.527 0.0965 4.6 0.502 0.0685 4.12 6.1694 0.9985 3119465 ChemDiv3_006628 Cc1ccccc1OCCCn2cc(C(=O)C3CC3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N07 compound treatment 0.456 0.0255 1.22 0.445 0.0115 0.69 1.3494 0.9639 3027052 ChemDiv3_006629 Cc1ccc(cc1)c2nn(CCC(=O)O)cc2/C=C/3\SC(=N)NC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N08 compound treatment 0.43 -4.52E-4 -0.02 0.424 -0.00953 -0.57 -0.4211 -0.7331 3119466 ChemDiv3_006630 Cc1ccc2n(CC(O)CNCc3ccccc3)c4CCCCc4c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N09 compound treatment 0.429 -0.00145 -0.07 0.435 0.00147 0.09 0.0135 0.1204 1369071 ChemDiv3_006631 Cc1cc(NC(=O)C2COc3ccccc3O2)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N10 compound treatment 0.433 0.00255 0.12 0.43 -0.00353 -0.21 -0.0645 -0.2634 3027053 ChemDiv3_006632 COc1ccc(CN2CCC(CC2)N(C)Cc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N11 compound treatment 0.435 0.00455 0.22 0.438 0.00447 0.27 0.3435 0.9943 3119467 ChemDiv3_006633 FC(F)(F)C1(NC(=O)Sc2ccccc2)Oc3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N12 compound treatment 0.431 5.48E-4 0.03 0.428 -0.00553 -0.33 -0.2171 -0.6496 3119468 ChemDiv3_006634 Cc1cc(C)n2c(SC(CNS(=O)(=O)c3ccccc3)c4ccccc4)nnc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N13 compound treatment 0.444 0.0135 0.65 0.439 0.00547 0.33 0.6894 0.9511 3027054 ChemDiv3_006635 CN1C(=O)CN(C2CCCCC2)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N14 compound treatment 0.435 0.00455 0.22 0.431 -0.00253 -0.15 0.0455 0.1715 3027055 ChemDiv3_006636 CCCCc1c(C)nc(SCC(=O)O)nc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N15 compound treatment 0.437 0.00655 0.31 0.427 -0.00653 -0.39 -0.0574 -0.1143 3119469 ChemDiv3_006637 CN(C)/C=C/C=C/1\CCc2ccccc2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N16 compound treatment 0.459 0.0285 1.36 0.45 0.0165 0.99 1.6634 0.9879 3027056 ChemDiv3_006638 COc1c(F)c(F)c(C(=O)O)c(Nc2ccc(C)cc2C)c1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N17 compound treatment 0.441 0.0105 0.5 0.436 0.00247 0.15 0.4606 0.8784 3119470 ChemDiv3_006639 CC1CN(N=C1O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N18 compound treatment 0.426 -0.00445 -0.21 0.422 -0.0115 -0.69 -0.6411 -0.8829 3119471 ChemDiv3_006640 CC(=O)Nc1ccc2OCN(Cc3ccc(Cl)cc3)Cc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N19 compound treatment 0.539 0.109 5.17 0.524 0.0905 5.45 7.5105 0.9997 3027057 ChemDiv3_006641 Cc1oc2ccccc2c1c3csc(n3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N20 compound treatment 0.455 0.0245 1.17 0.455 0.0215 1.29 1.7414 0.9988 3119472 ChemDiv3_006642 COc1ccc2cc(sc(=O)c2c1OC)C(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N21 compound treatment 0.455 0.0245 1.17 0.449 0.0155 0.93 1.486 0.9936 3027058 ChemDiv3_006643 COC(=O)c1cn(CCOc2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N22 compound treatment 0.428 -0.00245 -0.12 0.431 -0.00253 -0.15 -0.1905 -0.9914 3119473 ChemDiv3_006644 CC(C)c1ccc(C)cc1OCCN2CC(C)CC(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N23 mock treatment 0.432 0.00155 0.07 0.433 -5.33E-4 -0.03 0.0295 0.3663 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 N24 mock treatment 0.429 -0.00145 -0.07 0.442 0.00847 0.51 0.3115 0.6056 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O01 compound treatment 0.429 -0.00145 -0.07 0.43 -0.00353 -0.21 -0.1994 -0.8911 3119474 ChemDiv3_006645 O=C(C1CCCCC1)N2CCN(CC2)c3nnc(c4ccccc4)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O02 compound treatment 0.439 0.00855 0.41 0.444 0.0105 0.63 0.7338 0.9777 3027059 ChemDiv3_006646 COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O03 compound treatment 0.439 0.00855 0.41 0.429 -0.00453 -0.27 0.0951 0.194 3027060 ChemDiv3_006647 CSC1=NN1c2cc(C)nc(N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O04 compound treatment 0.457 0.0265 1.27 0.458 0.0245 1.47 1.9365 0.9971 1195811 ChemDiv3_006648 O=c1ccc2ccc(OCc3ccccc3)cc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O05 compound treatment 0.43 -4.52E-4 -0.02 0.43 -0.00353 -0.21 -0.1657 -0.7747 3119475 ChemDiv3_006649 Cc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O06 compound treatment 0.441 0.0105 0.5 0.442 0.00847 0.51 0.716 1.0 3027061 ChemDiv3_006650 CCN1CCN(CC1)c2oc(COc3ccccc3C)nc2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O07 compound treatment 0.481 0.0505 2.41 0.468 0.0345 2.08 3.1713 0.9972 3119608 ChemDiv3_006651 OC(=O)c1cccnc1SCC(=O)N2c3ccccc3CCc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O08 compound treatment 0.438 0.00755 0.36 0.447 0.0135 0.81 0.8278 0.9331 3027062 ChemDiv3_006652 COc1ccccc1OCc2nc(C#N)c(o2)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O09 compound treatment 0.427 -0.00345 -0.16 0.426 -0.00753 -0.45 -0.4371 -0.9059 3119609 ChemDiv3_006653 CC1=Nc2ccccc2N=C(NC(=O)/C=C/C(=O)O)C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O10 compound treatment 0.621 0.191 9.08 0.623 0.189 11.41 14.4894 0.9936 3027063 ChemDiv3_006654 CC1CCCC(C)N1C(=O)Cn2cc(/C=C\3/C(=O)Nc4ccccc34)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O11 compound treatment 0.45 0.0195 0.93 0.455 0.0215 1.29 1.5729 0.9871 3119610 ChemDiv3_006655 CN(Cc1ccccc1)C(=O)CSc2nc(c3CCc4ccccc4-c3n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O12 compound treatment 0.432 0.00155 0.07 0.435 0.00147 0.09 0.1146 0.996 3119611 ChemDiv3_006656 COc1ccc(cc1)C2(CCOCC2)C(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O13 compound treatment 0.441 0.0105 0.5 0.424 -0.00953 -0.57 -0.0503 -0.0659 3027064 ChemDiv3_006657 Cc1cc(nc(SCCNC(=O)c2ccccc2F)n1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O14 compound treatment 0.44 0.00955 0.46 0.447 0.0135 0.81 0.8952 0.9627 3119612 ChemDiv3_006658 COc1ccc2oc(CS(=O)c3ccccc3)c(C(=O)O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O15 compound treatment 0.447 0.0165 0.79 0.443 0.00947 0.57 0.9608 0.9873 3119613 ChemDiv3_006659 CC(Sc1nc(cc(n1)C(F)(F)F)c2ccccc2)C(=O)NCCCn3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O16 compound treatment 0.447 0.0165 0.79 0.445 0.0115 0.69 1.046 0.9978 3027065 ChemDiv3_006660 COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O17 compound treatment 0.434 0.00355 0.17 0.43 -0.00353 -0.21 -0.0308 -0.1134 3119614 ChemDiv3_006661 CC1CN(CC(C)O1)C(=O)CSc2nc(cc(n2)C(F)(F)F)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O18 compound treatment 0.433 0.00255 0.12 0.439 0.00547 0.33 0.3186 0.9082 3027066 ChemDiv3_006662 CCOC(=O)c1c(CN(CC)CC)n(c2ccccc2)c3ccc(O)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O19 compound treatment 0.498 0.0675 3.22 0.507 0.0735 4.42 5.4047 0.9878 3119615 ChemDiv3_006663 COc1ccc(cc1)c2cc(nc(SCCC(=O)NC(C)C)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O20 compound treatment 0.437 0.00655 0.31 0.436 0.00247 0.15 0.3257 0.9423 3027067 ChemDiv3_006664 O=C(ON1C(=O)c2cccc3cccc(C1=O)c23)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O21 compound treatment 0.421 -0.00945 -0.45 0.429 -0.00453 -0.27 -0.5116 -0.9712 3027068 ChemDiv3_006665 Cc1cc(C)n(n1)c2nncc(n2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O22 compound treatment 0.438 0.00755 0.36 0.442 0.00847 0.51 0.6149 0.9855 3119616 ChemDiv3_006666 CN1C(=O)C2(N(CCCN3CCOCC3)C(=O)C(=C2C(=O)c4ccc(C)c(F)c4)O)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O23 mock treatment 0.423 -0.00745 -0.36 0.434 4.67E-4 0.03 -0.2313 -0.6491 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 O24 mock treatment 0.434 0.00355 0.17 0.44 0.00647 0.39 0.3949 0.9303 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P01 compound treatment 0.442 0.0115 0.55 0.439 0.00547 0.33 0.622 0.9698 3027069 ChemDiv3_006667 Nc1nc(NCc2c(F)cccc2Cl)nn1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P02 compound treatment 0.449 0.0185 0.88 0.427 -0.00653 -0.39 0.3471 0.3586 3119617 ChemDiv3_006668 CCN(CC)CCSc1nc(O)c(C)c(=O)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P03 compound treatment 0.444 0.0135 0.65 0.441 0.00747 0.45 0.7746 0.9843 3119618 ChemDiv3_006669 CCCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c3cc(Br)ccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P04 compound treatment 0.513 0.0825 3.94 0.498 0.0645 3.88 5.5272 1.0 3027070 ChemDiv3_006670 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCc4ccccn4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P05 compound treatment 0.521 0.0905 4.32 0.527 0.0935 5.63 7.0315 0.9914 3119619 ChemDiv3_006671 COc1cccc(=O)c2c(C)n(CC(=O)c3ccccc3)c(C)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P06 compound treatment 0.567 0.137 6.51 0.565 0.131 7.92 10.1999 0.9953 3027071 ChemDiv3_006672 O=C(c1cccs1)c2cn(CCOc3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P07 compound treatment 0.443 0.0125 0.6 0.442 0.00847 0.51 0.7834 0.9968 3119620 ChemDiv3_006673 CC(C)OC(=O)C1C2C3CCCCC3(NC1=O)Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P08 compound treatment 0.414 -0.0165 -0.78 0.407 -0.0265 -1.6 -1.6842 -0.9463 3119621 ChemDiv3_006674 Cc1ccc2n(CC(O)CN(CC=C)CC=C)c3CCCCc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P09 compound treatment 0.475 0.0445 2.12 0.482 0.0485 2.92 3.5651 0.9878 1148562 ChemDiv3_006675 Cc1c(sc(=S)n1CCOc2ccccc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P10 compound treatment 0.427 -0.00345 -0.16 0.421 -0.0125 -0.75 -0.6499 -0.8415 3119622 ChemDiv3_006676 CN(Cc1ccccc1)C(=O)C2CCCN(Cc3ccc(Cl)cc3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P11 compound treatment 0.442 0.0115 0.55 0.445 0.0115 0.69 0.8775 0.9937 3027072 ChemDiv3_006677 FC(F)(F)C(=O)NC(=O)N1CCCc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P12 compound treatment 0.429 -0.00145 -0.07 0.423 -0.0105 -0.63 -0.4974 -0.7796 3119623 ChemDiv3_006678 Cc1cc(C)n2c(SC3CCCCC3NS(=O)(=O)c4ccccc4)nnc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P13 compound treatment 0.451 0.0205 0.98 0.454 0.0205 1.23 1.564 0.9935 3027134 ChemDiv3_006679 Cc1cc(=O)n2nc(nc2[nH]1)N3C(=O)c4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P14 compound treatment 0.432 0.00155 0.07 0.432 -0.00153 -0.09 -0.0131 -0.1107 3027135 ChemDiv3_006680 Clc1ccc2OC(=O)CC(c3ccccc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P15 compound treatment 1.3 0.87 41.45 1.21 0.776 46.75 62.3683 0.9982 1922162 ChemDiv3_006681 CN(C)/C=C/C=C1C(=O)CCCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P16 compound treatment 0.436 0.00555 0.26 0.437 0.00347 0.21 0.3346 0.9931 3027136 ChemDiv3_006682 C(Nc1ccccn1)c2ccc3OCOc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P17 compound treatment 0.449 0.0185 0.88 0.444 0.0105 0.63 1.0708 0.9862 1722485 ChemDiv3_006683 Cc1cc(N)n(n1)c2ccccc2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P18 compound treatment 0.429 -0.00145 -0.07 0.419 -0.0145 -0.88 -0.6677 -0.7606 3027137 ChemDiv3_006684 CC(=O)Nc1ccc2OCN(Cc2c1)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P19 compound treatment 0.442 0.0115 0.55 0.442 0.00847 0.51 0.7497 0.9993 3027138 ChemDiv3_006685 CC(C)c1ccc(C)cc1OCC(=O)Nc2cc(ccc2Cl)c3nc4ncccc4o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P20 compound treatment 0.437 0.00655 0.31 0.431 -0.00253 -0.15 0.1129 0.3249 3027139 ChemDiv3_006686 OCCNC(=O)c1cc2ccccc2c(=O)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P21 compound treatment 0.667 0.237 11.28 0.642 0.208 12.55 16.8489 0.9986 3027140 ChemDiv3_006687 CCc1cccc2c(/C=C\3/C(=O)N(C)c4ccccc34)c[nH]c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P22 compound treatment 0.431 5.48E-4 0.03 0.426 -0.00753 -0.45 -0.3022 -0.6652 3119624 ChemDiv3_006688 CC(C)(c1ccccc1)c2ccc(OCCN3CCOCC3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P23 mock treatment 0.445 0.0145 0.69 0.441 0.00747 0.45 0.8083 0.978 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2019 P24 mock treatment 0.429 -0.00145 -0.07 0.441 0.00747 0.45 0.269 0.5913 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A01 compound treatment 0.435 0.00388 0.18 0.422 -0.0121 -0.73 -0.383 -0.511 3119625 ChemDiv3_006689 Cc1nn2c(nnc2c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A02 compound treatment 0.433 0.00188 0.09 0.438 0.00394 0.24 0.2308 0.9112 3027141 ChemDiv3_006690 Clc1ccc(cc1)c2noc(CCCN3C(=O)c4ccccc4C3=O)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A03 compound treatment 0.428 -0.00312 -0.15 0.427 -0.00706 -0.43 -0.4061 -0.9011 3119626 ChemDiv3_006691 CCC(CO)NS(=O)(=O)c1cc(ccc1OC)c2nnc3c4ccccc4c(C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A04 compound treatment 0.429 -0.00212 -0.1 0.43 -0.00406 -0.24 -0.2447 -0.9238 3027142 ChemDiv3_006692 CCc1nc2cc3sc(CC)nc3cc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A05 compound treatment 0.433 0.00188 0.09 0.43 -0.00406 -0.24 -0.1098 -0.4216 1191945 ChemDiv3_006693 CCOP(=S)(OCC)C(Nc1ccccc1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A06 compound treatment 0.428 -0.00312 -0.15 0.432 -0.00206 -0.12 -0.1932 -0.996 3027143 ChemDiv3_006694 CC(=O)n1nc(nc1N)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A07 compound treatment 0.505 0.0739 3.52 0.511 0.0769 4.63 5.7657 0.9909 3119627 ChemDiv3_006695 Nc1cc(=O)[nH]c2nnc(SCc3ccc(Br)cc3)n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A08 compound treatment 0.446 0.0149 0.71 0.445 0.0109 0.66 0.967 0.9993 3027144 ChemDiv3_006696 O=C(COc1ccccc1)Nc2c(oc3ccccc23)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A09 compound treatment 0.434 0.00288 0.14 0.428 -0.00606 -0.37 -0.1613 -0.4135 3119628 ChemDiv3_006697 CC(C)(C)C(=O)Oc1ccc2cc(c3ccc4ccccc4n3)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A10 compound treatment 0.428 -0.00312 -0.15 0.424 -0.0101 -0.61 -0.5338 -0.8555 3119629 ChemDiv3_006698 COc1ccc(cc1c2nnc3c4ccccc4c(C)nn23)S(=O)(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A11 compound treatment 0.435 0.00388 0.18 0.433 -0.00106 -0.06 0.0853 0.4362 3027145 ChemDiv3_006699 O=C1CSC(N1)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A12 compound treatment 0.521 0.0899 4.28 0.516 0.0819 4.93 6.5179 0.9975 1492220 ChemDiv3_006700 CCOC(=O)c1nn(c2ccc(OC)cc2)c(=O)c3c(N)scc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A13 compound treatment 0.408 -0.0231 -1.1 0.423 -0.0111 -0.67 -1.2506 -0.9709 3027146 ChemDiv3_006701 CN1CCc2nc(SCc3cccc(c3)C(F)(F)F)c(C#N)cc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A14 compound treatment 0.428 -0.00312 -0.15 0.416 -0.0181 -1.09 -0.8744 -0.7965 3119630 ChemDiv3_006702 COc1ccc(CN2CNc3nc4ccccc4n3C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A15 compound treatment 0.434 0.00288 0.14 0.446 0.0119 0.72 0.6051 0.8271 3027147 ChemDiv3_006703 Cc1cc(SCc2ccccc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A16 compound treatment 0.531 0.0999 4.76 0.508 0.0739 4.45 6.5143 0.9994 3119631 ChemDiv3_006704 CC1(Nc2ccccc2-c3nc4ccccc4n31)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A17 compound treatment 0.434 0.00288 0.14 0.439 0.00494 0.3 0.307 0.9382 3119632 ChemDiv3_006705 COC(=O)C1=CN(C=C(C1c2ccc(OC)c(O)c2)C(=O)OC)c3cc(C)cc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A18 compound treatment 0.43 -0.00112 -0.05 0.429 -0.00506 -0.3 -0.2535 -0.8189 3027148 ChemDiv3_006706 OC(=O)c1ccc(cc1)n2nnnc2Oc3ccccc3C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A19 compound treatment 0.424 -0.00712 -0.34 0.43 -0.00406 -0.24 -0.4132 -0.9871 1643940 ChemDiv3_006707 Cc1ccc(cc1)S(=O)(=O)Nc2ccc3oc(=O)sc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A20 compound treatment 0.437 0.00588 0.28 0.439 0.00494 0.3 0.4082 0.9996 1197258 ChemDiv3_006708 CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(c4ccco4)c2CO1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A21 compound treatment 0.523 0.0919 4.38 0.513 0.0789 4.75 6.4575 0.9992 3119633 ChemDiv3_006709 COc1ccc(Nc2nc(N)nc(CSC(=S)N(C)C3CCCCC3)n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A22 compound treatment 0.425 -0.00612 -0.29 0.421 -0.0131 -0.79 -0.7627 -0.909 3119769 ChemDiv3_006710 COc1cc2CC[N+](C)(C)C3CC4(C=CC(=O)C=C4)c(c32)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A23 mock treatment 0.423 -0.00812 -0.39 0.429 -0.00506 -0.3 -0.4895 -0.993 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 A24 mock treatment 0.423 -0.00812 -0.39 0.416 -0.0181 -1.09 -1.043 -0.9033 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B01 compound treatment 0.478 0.0469 2.23 0.481 0.0469 2.83 3.5783 0.9932 3027149 ChemDiv3_006711 C1COC(O1)c2cccn2c3ccc4noc(c5ccccc5)c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B02 compound treatment 0.447 0.0159 0.76 0.438 0.00394 0.24 0.7027 0.8861 3119770 ChemDiv3_006712 Cc1nn(c2cc(ccc2N)N3CCCCC3)c(=O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B03 compound treatment 0.445 0.0139 0.66 0.446 0.0119 0.72 0.9758 0.9991 3027150 ChemDiv3_006713 COc1ccc(cc1)C2N=C(SC(=C2C#N)N)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B04 compound treatment 0.481 0.0499 2.38 0.48 0.0459 2.77 3.6369 0.9972 3119771 ChemDiv3_006714 Fc1ccc(CSc2ncnc3n(CC=C)c(=S)sc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B05 compound treatment 0.45 0.0189 0.9 0.454 0.0199 1.2 1.485 0.9899 3027151 ChemDiv3_006715 Cc1cc(C)c(c2cc(no2)C(F)(F)F)c(=O)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B06 compound treatment 0.442 0.0109 0.52 0.438 0.00394 0.24 0.5341 0.9371 3119772 ChemDiv3_006716 CCC(Sc1nnc2sc3ccccc3n12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B07 compound treatment 0.443 0.0119 0.57 0.44 0.00594 0.36 0.653 0.9754 3119773 ChemDiv3_006717 COc1ccccc1C2N(C(=O)N3CCCN23)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B08 compound treatment 0.504 0.0729 3.47 0.521 0.0869 5.23 6.1577 0.9802 3027152 ChemDiv3_006718 CCN1/C(=C\2/N(C(=NC2=O)C)c3ccccc3)/C=Cc4ccc(C)cc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B09 compound treatment 0.425 -0.00612 -0.29 0.428 -0.00606 -0.37 -0.4647 -0.9939 3119774 ChemDiv3_006719 Oc1ccccc1N2CC=C(NC2=O)c3ccc(cc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B10 compound treatment 0.465 0.0339 1.61 0.469 0.0349 2.1 2.6292 0.9915 3027153 ChemDiv3_006720 CCc1cc(C(=O)N2CCOCC2)c(NC3=NS(=O)(=O)c4ccccc34)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B11 compound treatment 0.445 0.0139 0.66 0.444 0.00994 0.6 0.8907 0.9987 3119775 ChemDiv3_006721 CC(N/C=C/1\C(=O)Oc2ccccc2C1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B12 compound treatment 0.444 0.0129 0.61 0.439 0.00494 0.3 0.6441 0.9446 3119776 ChemDiv3_006722 O/N=C/c1ccc(cn1)C(=O)NCc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B13 compound treatment 0.459 0.0279 1.33 0.465 0.0309 1.86 2.2567 0.9863 1466284 ChemDiv3_006723 CCn1nc(N)c2c(O)nc(O)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B14 compound treatment 0.452 0.0209 1.0 0.439 0.00494 0.3 0.9138 0.8799 3119777 ChemDiv3_006724 COCc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2OC)c(=O)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B15 compound treatment 0.447 0.0159 0.76 0.438 0.00394 0.24 0.7027 0.8861 3027154 ChemDiv3_006725 NCCC1COc2ccccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B16 compound treatment 0.504 0.0729 3.47 0.512 0.0779 4.69 5.7745 0.9891 3119778 ChemDiv3_006726 CC(C)c1ccc(cc1)S(=O)(=O)/N=C\2/C=C(Sc3nc[nH]n3)C(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B17 compound treatment 0.473 0.0419 2.0 0.473 0.0389 2.34 3.0692 0.9968 3027155 ChemDiv3_006727 CC(C)C(NC(=O)c1cc(oc1C)c2ccc3OCCOc3c2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B18 compound treatment 0.441 0.00988 0.47 0.438 0.00394 0.24 0.5004 0.9495 3119779 ChemDiv3_006728 Cc1ccc(cc1)C2CC(=O)n3nc(N)nc3N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B19 compound treatment 0.442 0.0109 0.52 0.44 0.00594 0.36 0.6193 0.9835 3027156 ChemDiv3_006729 OP(=O)(CN1CCOCC1)C2Cc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B20 compound treatment 0.452 0.0209 1.0 0.45 0.0159 0.96 1.3821 0.9998 3119780 ChemDiv3_006730 Cc1cc2-c3cccc(C)c3NC(c4cccc(O)c4O)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B21 compound treatment 0.438 0.00688 0.33 0.436 0.00194 0.12 0.3141 0.9031 3119781 ChemDiv3_006731 CC1=CS(=O)(=O)CC1Sc2nc(C)n[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B22 compound treatment 0.434 0.00288 0.14 0.432 -0.00206 -0.12 0.009 0.0487 3027157 ChemDiv3_006732 OC(=O)Cn1cc(C(=O)c2ccccc2F)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B23 mock treatment 0.428 -0.00312 -0.15 0.448 0.0139 0.84 0.488 0.5726 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 B24 mock treatment 0.43 -0.00112 -0.05 0.43 -0.00406 -0.24 -0.211 -0.8421 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C01 compound treatment 0.418 -0.0131 -0.63 0.413 -0.0211 -1.27 -1.3392 -0.947 1224449 ChemDiv3_006733 c1ccc(cc1)c2nnc3c4ccccc4c(nn23)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C02 compound treatment 0.415 -0.0161 -0.77 0.421 -0.0131 -0.79 -1.0998 -0.9999 3027158 ChemDiv3_006734 CCCC(=O)N1N=C(OC1c2ccc(OC)cc2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C03 compound treatment 0.413 -0.0181 -0.86 0.415 -0.0191 -1.15 -1.4226 -0.9902 3119782 ChemDiv3_006735 CCC(=O)Nc1cccc(c1)c2nnc3c4ccccc4c(C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C04 compound treatment 0.439 0.00788 0.38 0.447 0.0129 0.78 0.8162 0.944 3027159 ChemDiv3_006736 CC(C)c1nc2cc3sc(nc3cc2s1)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C05 compound treatment 0.414 -0.0171 -0.82 0.422 -0.0121 -0.73 -1.0909 -0.9983 3119783 ChemDiv3_006737 CCOC(=O)c1snc2c(=O)[nH]cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C06 compound treatment 0.418 -0.0131 -0.63 0.422 -0.0121 -0.73 -0.9561 -0.9972 3027160 ChemDiv3_006738 Cc1cc(C)nc(n1)N2CC(=O)NC2=N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C07 compound treatment 0.424 -0.00712 -0.34 0.421 -0.0131 -0.79 -0.7964 -0.9295 3119784 ChemDiv3_006739 Nc1cc(=O)[nH]c2nnc(SCC=C)n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C08 compound treatment 0.516 0.0849 4.05 0.535 0.101 6.08 7.1582 0.9805 3119785 ChemDiv3_006740 COc1cc(cc(OC)c1OC)C(=O)Nc2c(oc3ccccc23)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C09 compound treatment 0.451 0.0199 0.95 0.436 0.00194 0.12 0.7523 0.7881 3027161 ChemDiv3_006741 Cc1c(O)ccc(c2n[nH]cc2c3nc4ccccc4s3)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C10 compound treatment 0.421 -0.0101 -0.48 0.417 -0.0171 -1.03 -1.0678 -0.9407 3119786 ChemDiv3_006742 COc1ccc(cc1c2nnc3c4ccccc4c(C)nn23)S(=O)(=O)N(C)CCO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C11 compound treatment 0.532 0.101 4.81 0.566 0.132 7.94 9.0174 0.9711 3027162 ChemDiv3_006743 COc1ccc(Cn2c(=O)oc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C12 compound treatment 0.42 -0.0111 -0.53 0.432 -0.00206 -0.12 -0.4629 -0.8498 3119787 ChemDiv3_006744 Cc1ccc2nsnc2c1S(=O)(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C13 compound treatment 0.414 -0.0171 -0.82 0.422 -0.0121 -0.73 -1.0909 -0.9983 3027163 ChemDiv3_006745 Brc1ccccc1CSc2nc3C4CCN(CC4)c3cc2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C14 compound treatment 0.426 -0.00512 -0.24 0.447 0.0129 0.78 0.378 0.4631 3119788 ChemDiv3_006746 C1CCC(CC1)N2CNc3nc4ccccc4n3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C15 compound treatment 0.416 -0.0151 -0.72 0.411 -0.0231 -1.39 -1.4918 -0.9534 3027164 ChemDiv3_006747 COCc1ccc2oc(cc2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C16 compound treatment 0.422 -0.00912 -0.43 0.422 -0.0121 -0.73 -0.8212 -0.9699 1298113 ChemDiv3_006748 CCC1(C)Nc2ccccc2-c3nc4ccccc4n31 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C17 compound treatment 0.465 0.0339 1.61 0.458 0.0239 1.44 2.1609 0.9984 3119789 ChemDiv3_006749 Cc1ccc2nc(NCn3nc(oc3=S)c4ccccc4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C18 compound treatment 0.425 -0.00612 -0.29 0.426 -0.00806 -0.49 -0.5498 -0.9704 3027165 ChemDiv3_006750 CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4O)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C19 compound treatment 0.511 0.0799 3.81 0.515 0.0809 4.87 6.1382 0.9926 3119790 ChemDiv3_006751 O=C(N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C20 compound treatment 0.416 -0.0151 -0.72 0.418 -0.0161 -0.97 -1.1938 -0.9895 1249288 ChemDiv3_006752 CCN(CC)CCNc1nc(c2ccco2)c3COC(C)(C)Cc3c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C21 compound treatment 0.416 -0.0151 -0.72 0.41 -0.0241 -1.45 -1.5344 -0.9481 3027166 ChemDiv3_006753 COc1ccccc1Nc2nc(N)nc(CN3CCC(C)CC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C22 compound treatment 0.503 0.0719 3.43 0.496 0.0619 3.73 5.0596 0.9991 3119791 ChemDiv3_006754 O=C(Cn1cc(C(=O)C2CCCCC2)c3ccccc13)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C23 mock treatment 0.41 -0.0211 -1.01 0.409 -0.0251 -1.51 -1.7792 -0.9807 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 C24 mock treatment 0.418 -0.0131 -0.63 0.422 -0.0121 -0.73 -0.9561 -0.9972 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D01 compound treatment 0.441 0.00988 0.47 0.447 0.0129 0.78 0.8836 0.9709 3027167 ChemDiv3_006755 COc1cc(ccc1O)C2N(Cc3ccccc3)C(=O)c4oc5ccccc5c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D02 compound treatment 0.419 -0.0121 -0.58 0.415 -0.0191 -1.15 -1.2204 -0.9496 1400123 ChemDiv3_006756 Cc1cccn2cc(nc12)c3cccc(NC(=O)c4ccccc4)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D03 compound treatment 0.46 0.0289 1.38 0.46 0.0259 1.56 2.0775 0.998 3027168 ChemDiv3_006757 CSc1nnc-2c(OC=Nc3ccc(Cl)cc32)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D04 compound treatment 0.442 0.0109 0.52 0.436 0.00194 0.12 0.449 0.845 3119792 ChemDiv3_006758 C=CCn1c(=S)sc2c(SCC(=O)N3CCc4ccccc34)ncnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D05 compound treatment 0.434 0.00288 0.14 0.431 -0.00306 -0.18 -0.0336 -0.146 3119793 ChemDiv3_006759 CCOC(=O)C1SC2(CC1(O)c3c(C)cc(C)nc3O2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D06 compound treatment 0.423 -0.00812 -0.39 0.434 -6.45E-5 0.0 -0.2766 -0.7142 3027169 ChemDiv3_006760 Nc1ccc2[nH]c(nc2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D07 compound treatment 0.444 0.0129 0.61 0.442 0.00794 0.48 0.7718 0.9923 1726077 ChemDiv3_006761 COc1ccc(cc1)C2N3CC(C)(C)CN23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D08 compound treatment 0.434 0.00288 0.14 0.436 0.00194 0.12 0.1793 0.9967 3027219 ChemDiv3_006762 CCN1C=C/C(=C\c2cc[n+](CC)c3ccccc23)/c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D09 compound treatment 0.445 0.0139 0.66 0.451 0.0169 1.02 1.1887 0.978 3027220 ChemDiv3_006763 c1ccc(cc1)c2nn3c(nnc3s2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D10 compound treatment 0.446 0.0149 0.71 0.452 0.0179 1.08 1.265 0.9792 3027221 ChemDiv3_006764 CCc1ccc(NC(=O)Cn2c(=O)oc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D11 compound treatment 0.439 0.00788 0.38 0.444 0.00994 0.6 0.6884 0.9748 3027222 ChemDiv3_006765 O=C(Cn1c(nc2ccccc12)c3ccccn3)NCCCn4ccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D12 compound treatment 0.432 8.75E-4 0.04 0.433 -0.00106 -0.06 -0.0158 -0.207 3027223 ChemDiv3_006766 C/C(=N\O)/C(=O)NCCc1c[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D13 compound treatment 0.43 -0.00112 -0.05 0.442 0.00794 0.48 0.2999 0.6238 3027224 ChemDiv3_006767 O=c1[nH]c2ccc(cc2[nH]1)S(=O)(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D14 compound treatment 0.445 0.0139 0.66 0.427 -0.00706 -0.43 0.1669 0.2123 3027225 ChemDiv3_006768 Clc1ccc(cc1)c2nnc(SC3CCOC3=O)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D15 compound treatment 0.429 -0.00212 -0.1 0.427 -0.00706 -0.43 -0.3724 -0.8517 1057023 ChemDiv3_006769 OC(=O)CCC1COc2ccccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D16 compound treatment 0.489 0.0579 2.76 0.496 0.0619 3.73 4.5877 0.989 3119794 ChemDiv3_006770 O=C1C(=C/C(=N/S(=O)(=O)c2cccs2)/c3ccccc13)Sc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D17 compound treatment 0.443 0.0119 0.57 0.445 0.0109 0.66 0.8659 0.9972 3027226 ChemDiv3_006771 Cc1cccc(OCCCn2c(=O)sc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D18 compound treatment 0.463 0.0319 1.52 0.466 0.0319 1.92 2.4341 0.9932 3119928 ChemDiv3_006772 Clc1ccc(cc1)C2CC(=O)n3c(N2)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D19 compound treatment 0.428 -0.00312 -0.15 0.436 0.00194 0.12 -0.0229 -0.1213 3027227 ChemDiv3_006773 OP(=O)(CN1CCCCCC1)C2Cc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D20 compound treatment 0.439 0.00788 0.38 0.436 0.00194 0.12 0.3479 0.885 3119929 ChemDiv3_006774 Cc1cc2-c3cccc(C)c3NC(c4ccsc4)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D21 compound treatment 0.436 0.00488 0.23 0.43 -0.00406 -0.24 -0.0087 -0.0258 1438487 ChemDiv3_006775 Cc1cccc(NC2CS(=O)(=O)CC2O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D22 compound treatment 0.433 0.00188 0.09 0.434 -6.45E-5 0.0 0.0605 0.6757 3027228 ChemDiv3_006776 CC1CCCCN1C(=O)CSc2nc(cc(n2)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D23 mock treatment 0.431 -1.25E-4 -0.01 0.432 -0.00206 -0.12 -0.0921 -0.7402 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 D24 mock treatment 0.434 0.00288 0.14 0.421 -0.0131 -0.79 -0.4593 -0.5752 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E01 compound treatment 0.439 0.00788 0.38 0.436 0.00194 0.12 0.3479 0.885 3119930 ChemDiv3_006777 CNS(=O)(=O)c1ccc(C)c(c1)c2nnc3c4ccccc4c(C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E02 compound treatment 0.443 0.0119 0.57 0.44 0.00594 0.36 0.653 0.9754 3027229 ChemDiv3_006778 OCN1C(=O)c2ccncc2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E03 compound treatment 0.432 8.75E-4 0.04 0.437 0.00294 0.18 0.1545 0.8506 1238985 ChemDiv3_006779 CC1OP(=S)(OC1C)C(Nc2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E04 compound treatment 0.433 0.00188 0.09 0.443 0.00894 0.54 0.4436 0.8134 3027230 ChemDiv3_006780 COCC(=O)n1nc(nc1NCc2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E05 compound treatment 0.468 0.0369 1.76 0.452 0.0179 1.08 2.0066 0.9726 3119931 ChemDiv3_006781 COc1ccc(cc1)C2OC(=NN2C(=O)C)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E06 compound treatment 0.462 0.0309 1.47 0.467 0.0329 1.98 2.4429 0.9892 3119932 ChemDiv3_006782 Cc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)C4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E07 compound treatment 0.38 -0.0511 -2.44 0.391 -0.0431 -2.59 -3.5568 -0.9995 3027231 ChemDiv3_006783 CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E08 compound treatment 0.544 0.113 5.38 0.562 0.128 7.7 9.2516 0.9846 3119933 ChemDiv3_006784 CC(C)C(=O)Nc1c(oc2ccccc12)C(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E09 compound treatment 0.435 0.00388 0.18 0.434 -6.45E-5 0.0 0.1279 0.6921 3027232 ChemDiv3_006785 O=C(Oc1ccc2c(=O)c(coc2c1)c3ccccc3)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E10 compound treatment 0.442 0.0109 0.52 0.447 0.0129 0.78 0.9173 0.9804 3119934 ChemDiv3_006786 COc1ccc(cc1c2nnc3c4ccccc4c(C)nn23)S(=O)(=O)NCCN5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E11 compound treatment 0.463 0.0319 1.52 0.46 0.0259 1.56 2.1786 0.9999 1785240 ChemDiv3_006787 OC(=O)Cc1c(c2ccccc2)c3cc(Cl)ccc3[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E12 compound treatment 0.438 0.00688 0.33 0.446 0.0119 0.72 0.7399 0.9368 3119935 ChemDiv3_006788 COC(=O)C1=NOC2C1C(=O)N(C2=O)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E13 compound treatment 0.441 0.00988 0.47 0.445 0.0109 0.66 0.7984 0.9865 3027233 ChemDiv3_006789 Cc1cc(nc2snc(Br)c12)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E14 compound treatment 0.439 0.00788 0.38 0.428 -0.00606 -0.37 0.0073 0.0138 3119936 ChemDiv3_006790 NC1=NC(c2ccncc2)n3c(N1)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E15 compound treatment 0.443 0.0119 0.57 0.445 0.0109 0.66 0.8659 0.9972 3027234 ChemDiv3_006791 CC(C)COc1ccc(cc1)S(=O)(=O)n2cc(F)c(=O)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E16 compound treatment 0.416 -0.0151 -0.72 0.408 -0.0261 -1.57 -1.6195 -0.9377 3119937 ChemDiv3_006792 Oc1ccccc1C2Nc3ccccc3-c4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E17 compound treatment 0.446 0.0149 0.71 0.443 0.00894 0.54 0.8818 0.9907 3119938 ChemDiv3_006793 CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(n1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E18 compound treatment 0.443 0.0119 0.57 0.448 0.0139 0.84 0.9936 0.9816 3027235 ChemDiv3_006794 CC1(CN2CC3(C)CN(C1)C2C4C(=O)Nc5ccccc45)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E19 compound treatment 0.432 8.75E-4 0.04 0.426 -0.00806 -0.49 -0.3139 -0.644 3119939 ChemDiv3_006795 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E20 compound treatment 0.511 0.0799 3.81 0.512 0.0779 4.69 6.0105 0.9946 3119940 ChemDiv3_006796 CCCCc1nc2sc3c(NCC=C)ncnc3c2c4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E21 compound treatment 0.433 0.00188 0.09 0.434 -6.45E-5 0.0 0.0605 0.6757 3027236 ChemDiv3_006797 COc1ccccc1Nc2nc(N)nc(CN3CCc4ccccc4C3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E22 compound treatment 0.434 0.00288 0.14 0.434 -6.45E-5 0.0 0.0942 0.6868 3119941 ChemDiv3_006798 O=C(Cn1cc(C(=O)c2ccco2)c3ccccc13)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E23 mock treatment 0.43 -0.00112 -0.05 0.436 0.00194 0.12 0.0445 0.3467 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 E24 mock treatment 0.443 0.0119 0.57 0.433 -0.00106 -0.06 0.355 0.6231 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F01 compound treatment 0.473 0.0419 2.0 0.449 0.0149 0.9 2.0474 0.9351 3027237 ChemDiv3_006799 CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)c3cc(ccc32)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F02 compound treatment 0.475 0.0439 2.09 0.489 0.0549 3.31 3.8178 0.9756 3119942 ChemDiv3_006800 Cc1ccn2cc(nc2c1)c3cccc(NS(=O)(=O)c4cc(C)c(C)cc4C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F03 compound treatment 0.408 -0.0231 -1.1 0.4 -0.0341 -2.05 -2.2298 -0.9576 3119943 ChemDiv3_006801 On1c(nc2CCCCc21)C(=O)c3ccc(Oc4ccccc4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F04 compound treatment 0.528 0.0969 4.62 0.539 0.105 6.32 7.733 0.9881 3027238 ChemDiv3_006802 NC(=O)CSc1ncnc2n(CC=C)c(=S)sc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F05 compound treatment 0.444 0.0129 0.61 0.446 0.0119 0.72 0.9421 0.9969 2117441 ChemDiv3_006803 OC(=O)C1CCCN1Cc2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F06 compound treatment 0.443 0.0119 0.57 0.444 0.00994 0.6 0.8233 0.9996 3027239 ChemDiv3_006804 Nc1ncnc2n(CCOc3ccccc3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F07 compound treatment 0.446 0.0149 0.71 0.461 0.0269 1.62 1.6482 0.9312 3119944 ChemDiv3_006805 O=C(OCc1ccccc1)C2=NNC3C2C(=O)N(C3=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F08 compound treatment 0.442 0.0109 0.52 0.45 0.0159 0.96 1.045 0.9582 3027240 ChemDiv3_006806 CCN(CC)CCNc1nc(C)cc(C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F09 compound treatment 0.489 0.0579 2.76 0.477 0.0429 2.59 3.7788 0.9995 1107523 ChemDiv3_006807 C(Oc1ccccc1)c2nn3c(nnc3s2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F10 compound treatment 0.448 0.0169 0.8 0.465 0.0309 1.86 1.8859 0.9295 3119945 ChemDiv3_006808 CC(C)COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F11 compound treatment 0.46 0.0289 1.38 0.461 0.0269 1.62 2.1201 0.9967 3027241 ChemDiv3_006809 COc1cccc(c1)c2nn3c(Cc4ccccc4)nnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F12 compound treatment 0.444 0.0129 0.61 0.447 0.0129 0.78 0.9847 0.993 3027242 ChemDiv3_006810 O=C(NCCc1c[nH]c2ccccc12)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F13 compound treatment 0.444 0.0129 0.61 0.452 0.0179 1.08 1.1976 0.9641 3119946 ChemDiv3_006811 CC(C)C1Cc2[nH]c(=O)c(cc2CO1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F14 compound treatment 0.443 0.0119 0.57 0.445 0.0109 0.66 0.8659 0.9972 3027243 ChemDiv3_006812 COc1ccc(cc1)c2nnc(SC3CCOC3=O)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F15 compound treatment 0.453 0.0219 1.04 0.441 0.00694 0.42 1.0326 0.9193 3119947 ChemDiv3_006813 OC(=O)CCC1CCC(=O)N1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F16 compound treatment 0.507 0.0759 3.62 0.521 0.0869 5.23 6.2588 0.9837 3119948 ChemDiv3_006814 OC(=O)c1ccc(cc1)S(=O)(=O)Nc2ccc3oc4CCCC(=O)c4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F17 compound treatment 0.504 0.0729 3.47 0.494 0.0599 3.61 5.0082 0.9998 3027244 ChemDiv3_006815 Clc1ccccc1OCCCn2c(=O)sc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F18 compound treatment 0.463 0.0319 1.52 0.451 0.0169 1.02 1.7955 0.9812 3119949 ChemDiv3_006816 COC(=O)C1=NNC(C1c2ccc(OC)cc2)C(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F19 compound treatment 0.455 0.0239 1.14 0.455 0.0209 1.26 1.6961 0.9987 3027245 ChemDiv3_006817 OC(c1ccco1)P(=O)(O)C2Cc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F20 compound treatment 0.531 0.0999 4.76 0.527 0.0929 5.6 7.3233 0.9968 3119950 ChemDiv3_006818 CC(NC(=O)Cn1cc(C(=O)C2CCCCC2)c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F21 compound treatment 0.447 0.0159 0.76 0.438 0.00394 0.24 0.7027 0.8861 1147731 ChemDiv3_006819 COc1ccc(cc1)N2C(=S)SC3CS(=O)(=O)CC32C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F22 compound treatment 0.438 0.00688 0.33 0.438 0.00394 0.24 0.3993 0.9873 3119951 ChemDiv3_006820 FC(F)(F)c1nc(SCC(=O)N2CCCC2)nc-3c1CCc4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F23 mock treatment 0.434 0.00288 0.14 0.445 0.0109 0.66 0.5625 0.8364 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 F24 mock treatment 0.444 0.0129 0.61 0.434 -6.45E-5 0.0 0.4312 0.7026 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G01 compound treatment 0.426 -0.00512 -0.24 0.424 -0.0101 -0.61 -0.6012 -0.9202 3119952 ChemDiv3_006821 Cc1ccc(cc1c2nnc3c4ccccc4c(C)nn23)S(=O)(=O)NC5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G02 compound treatment 0.457 0.0259 1.23 0.443 0.00894 0.54 1.2526 0.9308 1307285 ChemDiv3_006822 C1C2N(N=C1c3ccco3)C(Oc4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G03 compound treatment 0.425 -0.00612 -0.29 0.425 -0.00906 -0.55 -0.5924 -0.957 3120089 ChemDiv3_006823 CCOP(=S)(OCC)C1(CCCCC1)Nc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G04 compound treatment 0.458 0.0269 1.28 0.476 0.0419 2.52 2.6913 0.9505 3027246 ChemDiv3_006824 CCC(=O)n1nc(nc1NCc2ccco2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G05 compound treatment 0.432 8.75E-4 0.04 0.424 -0.0101 -0.61 -0.399 -0.6569 3120090 ChemDiv3_006825 O=S(=O)(N1CCN(CCC#N)CC1)c2ccc(C#N)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G06 compound treatment 0.468 0.0369 1.76 0.473 0.0389 2.34 2.9006 0.9899 1874090 ChemDiv3_006826 Cc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G07 compound treatment 0.431 -1.25E-4 -0.01 0.432 -0.00206 -0.12 -0.0921 -0.7402 3120091 ChemDiv3_006827 COc1ccc(cc1OC)c2c(C)[nH]nc2c3ccc(O)cc3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G08 compound treatment 0.437 0.00588 0.28 0.445 0.0109 0.66 0.6636 0.9275 3120092 ChemDiv3_006828 CCC(=O)Nc1ccc2n3CCN(Cc4ccccc4)Cc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G09 compound treatment 0.457 0.0259 1.23 0.459 0.0249 1.5 1.9338 0.9952 3027247 ChemDiv3_006829 COc1cccc(Oc2c(oc3cc(OC)ccc3c2=O)C(F)(F)F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G10 compound treatment 0.434 0.00288 0.14 0.435 9.35E-4 0.06 0.1367 0.9228 3120093 ChemDiv3_006830 COc1cccc(c1)C2N(CCCN3CCOCC3)C(=O)c4oc5ccccc5c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G11 compound treatment 0.451 0.0199 0.95 0.459 0.0249 1.5 1.7316 0.9754 3027248 ChemDiv3_006831 Clc1cccc(NC(=O)C2=CC(=O)N3CCCN=C3S2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G12 compound treatment 0.426 -0.00512 -0.24 0.419 -0.0151 -0.91 -0.8141 -0.8667 1212660 ChemDiv3_006832 COc1cccc(C2Nc3cccc4cccc(N2)c34)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G13 compound treatment 0.464 0.0329 1.57 0.47 0.0359 2.16 2.6381 0.9875 1600675 ChemDiv3_006833 CCCc1noc2NC(=C(C#N)C(c12)c3cc(Br)ccc3F)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G14 compound treatment 0.437 0.00588 0.28 0.436 0.00194 0.12 0.2804 0.9245 3027249 ChemDiv3_006834 O=C(CC1OCCN(Cc2ccccc2)C1=O)Nc3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G15 compound treatment 0.487 0.0559 2.66 0.478 0.0439 2.65 3.754 1.0 3120094 ChemDiv3_006835 CN(Cc1nc(no1)c2ccc(Cl)cc2)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G16 compound treatment 0.421 -0.0101 -0.48 0.422 -0.0121 -0.73 -0.8549 -0.9803 3027250 ChemDiv3_006836 N1C(/C=C/c2ccccc2)n3c(nc4ccccc34)-c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G17 compound treatment 0.444 0.0129 0.61 0.442 0.00794 0.48 0.7718 0.9923 3120095 ChemDiv3_006837 CCOc1ccc(Oc2cc(C)nc(SC)n2)nn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G18 compound treatment 0.441 0.00988 0.47 0.448 0.0139 0.84 0.9262 0.9627 3120096 ChemDiv3_006838 Cc1ccc(cc1)S(=O)(=O)CC2CSc3ncnc4ncn2c34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G19 compound treatment 0.493 0.0619 2.95 0.497 0.0629 3.79 4.7651 0.9923 3027251 ChemDiv3_006839 Cc1ccc(c(C)c1)S(=O)(=O)N(C(=O)C2CCCCC2)c3ccc4oc(=O)sc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G20 compound treatment 0.436 0.00488 0.23 0.425 -0.00906 -0.55 -0.2216 -0.3736 1136208 ChemDiv3_006840 COc1cc2CCNC3Cc4ccc(O)cc4-c(c1OC)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G21 compound treatment 0.426 -0.00512 -0.24 0.43 -0.00406 -0.24 -0.3458 -1.0 3027309 ChemDiv3_006841 Cc1ccnc(Nc2nc3ccccc3o2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G22 compound treatment 0.572 0.141 6.72 0.527 0.0929 5.6 8.7053 0.9959 3027310 ChemDiv3_006842 Clc1ccccc1OCCn2cc(C(=O)c3ccco3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G23 mock treatment 0.424 -0.00712 -0.34 0.421 -0.0131 -0.79 -0.7964 -0.9295 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 G24 mock treatment 0.432 8.75E-4 0.04 0.426 -0.00806 -0.49 -0.3139 -0.644 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H01 compound treatment 0.437 0.00588 0.28 0.429 -0.00506 -0.3 -0.0176 -0.0425 1707309 ChemDiv3_006843 COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H02 compound treatment 0.445 0.0139 0.66 0.441 0.00694 0.42 0.763 0.9754 3027311 ChemDiv3_006844 CC(C)(C)c1cc2nc(cc(N)n2n1)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H03 compound treatment 0.443 0.0119 0.57 0.439 0.00494 0.3 0.6104 0.9547 3027312 ChemDiv3_006845 COc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H04 compound treatment 0.429 -0.00212 -0.1 0.429 -0.00506 -0.3 -0.2872 -0.894 1225575 ChemDiv3_006846 NS(=O)(=O)c1ccc(CCNC2=CC(=O)OC32CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H05 compound treatment 0.433 0.00188 0.09 0.43 -0.00406 -0.24 -0.1098 -0.4216 3027313 ChemDiv3_006847 COc1ccc(Nc2nc(nc3ccccc23)N4CCN(C)CC4)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H06 compound treatment 0.436 0.00488 0.23 0.43 -0.00406 -0.24 -0.0087 -0.0258 3120097 ChemDiv3_006848 Nc1ncnc2n(Cc3ccccc3)c(SCC(=O)O)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H07 compound treatment 0.447 0.0159 0.76 0.435 9.35E-4 0.06 0.5749 0.7576 3027314 ChemDiv3_006849 CCc1c(O)nc(SCC(=O)N2CCc3ccccc23)n(c4ccc(F)cc4)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H08 compound treatment 0.427 -0.00412 -0.2 0.428 -0.00606 -0.37 -0.3972 -0.9578 1407492 ChemDiv3_006850 COc1cccc(Nc2nc(=O)[nH]nc2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H09 compound treatment 0.428 -0.00312 -0.15 0.435 9.35E-4 0.06 -0.0655 -0.4113 3027315 ChemDiv3_006851 C1Oc2ccc(cc2O1)c3nn4c(nnc4s3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H10 compound treatment 0.434 0.00288 0.14 0.43 -0.00406 -0.24 -0.0761 -0.2714 3120098 ChemDiv3_006852 OC(=O)CCNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H11 compound treatment 0.468 0.0369 1.76 0.476 0.0419 2.52 3.0284 0.9843 3120099 ChemDiv3_006853 COc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H12 compound treatment 0.434 0.00288 0.14 0.44 0.00594 0.36 0.3496 0.9134 3027316 ChemDiv3_006854 CCCn1nnnc1NCc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H13 compound treatment 0.449 0.0179 0.85 0.457 0.0229 1.38 1.579 0.9731 3120100 ChemDiv3_006855 Clc1ccc(COc2ccc3OC(=O)CCc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H14 compound treatment 0.442 0.0109 0.52 0.443 0.00894 0.54 0.747 0.9998 3027317 ChemDiv3_006856 O=C1NN=C(CC1c2cn(CCC#N)c3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H15 compound treatment 0.44 0.00888 0.42 0.438 0.00394 0.24 0.4667 0.9625 3120101 ChemDiv3_006857 O=C(Cn1c(=O)n2ncnc2c3c4CCCCc4sc13)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H16 compound treatment 0.513 0.0819 3.9 0.51 0.0759 4.57 5.9927 0.9969 3120102 ChemDiv3_006858 CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4ccc(O)c(c4)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H17 compound treatment 0.517 0.0859 4.09 0.52 0.0859 5.17 6.5533 0.9933 3027318 ChemDiv3_006859 CC(C)(C)c1ccc(OCCCn2c(=O)sc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H18 compound treatment 0.521 0.0899 4.28 0.508 0.0739 4.45 6.1773 0.9998 3120103 ChemDiv3_006860 Cc1cc2-c3ccccc3NC(c4cccs4)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H19 compound treatment 0.433 0.00188 0.09 0.434 -6.45E-5 0.0 0.0605 0.6757 3027319 ChemDiv3_006861 FC(F)(F)c1cccc(NC(=O)C2CCCNC2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H20 compound treatment 0.424 -0.00712 -0.34 0.429 -0.00506 -0.3 -0.4558 -0.9986 3120104 ChemDiv3_006862 OC(=O)Cn1cc(C(=O)C2CC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H21 compound treatment 0.458 0.0269 1.28 0.447 0.0129 0.78 1.4566 0.9715 3120105 ChemDiv3_006863 CN(C)c1cccc(c1)N2C3CS(=O)(=O)CC3SC2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H22 compound treatment 0.424 -0.00712 -0.34 0.425 -0.00906 -0.55 -0.6261 -0.974 3027320 ChemDiv3_006864 FC(F)(F)c1cc(nc(SCCC(=O)N2CCCCC2)n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H23 mock treatment 0.433 0.00188 0.09 0.427 -0.00706 -0.43 -0.2376 -0.5466 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 H24 mock treatment 0.425 -0.00612 -0.29 0.428 -0.00606 -0.37 -0.4647 -0.9939 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I01 compound treatment 0.435 0.00388 0.18 0.429 -0.00506 -0.3 -0.085 -0.2384 3120106 ChemDiv3_006865 Cc1ccc(cc1c2nnc3c4ccccc4c(C)nn23)S(=O)(=O)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I02 compound treatment 0.449 0.0179 0.85 0.445 0.0109 0.66 1.0681 0.9919 3027321 ChemDiv3_006866 CC1CCC2(CC1)Oc3ccccc3C4CC(=NN42)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I03 compound treatment 0.431 -1.25E-4 -0.01 0.431 -0.00306 -0.18 -0.1347 -0.7296 3120107 ChemDiv3_006867 CCOP(=S)(OCC)C(O)c1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I04 compound treatment 0.514 0.0829 3.95 0.509 0.0749 4.51 5.9839 0.9978 3120108 ChemDiv3_006868 O=C(c1ccccc1)n2nc(nc2NCc3ccco3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I05 compound treatment 0.491 0.0599 2.85 0.47 0.0359 2.16 3.5482 0.9907 3027322 ChemDiv3_006869 Oc1nc(nc2n(Cc3ccccc3)nnc12)C(=O)NCc4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I06 compound treatment 0.544 0.113 5.38 0.551 0.117 7.04 8.7832 0.9912 3120109 ChemDiv3_006870 O=C(Nc1c(oc2ccccc12)C(=O)c3ccccc3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I07 compound treatment 0.44 0.00888 0.42 0.423 -0.0111 -0.67 -0.1719 -0.2178 3120110 ChemDiv3_006871 CCc1cc2c(=O)c(coc2c(CN3CCCC(C)C3)c1O)c4nc5ccccc5[nH]4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I08 compound treatment 0.446 0.0149 0.71 0.448 0.0139 0.84 1.0947 0.9965 3027323 ChemDiv3_006872 O=C(Nc1ccc2n3CCN(Cc4ccccc4)Cc3nc2c1)C5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I09 compound treatment 0.429 -0.00212 -0.1 0.438 0.00394 0.24 0.0959 0.3722 3120111 ChemDiv3_006873 COc1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I10 compound treatment 0.442 0.0109 0.52 0.444 0.00994 0.6 0.7896 0.9975 3120112 ChemDiv3_006874 COCCN1C(c2c(oc3ccccc3c2=O)C1=O)c4ccc(OC)c(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I11 compound treatment 0.422 -0.00912 -0.43 0.419 -0.0151 -0.91 -0.949 -0.9433 3027324 ChemDiv3_006875 OC(=O)CSc1nc(ccc1C#N)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I12 compound treatment 0.442 0.0109 0.52 0.438 0.00394 0.24 0.5341 0.9371 3027325 ChemDiv3_006876 CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3nsc(Cl)c3Cl)[C@H]2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I13 compound treatment 0.438 0.00688 0.33 0.438 0.00394 0.24 0.3993 0.9873 3120113 ChemDiv3_006877 NC1=C(CC(=O)N1c2cccc(c2)C(F)(F)F)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I14 compound treatment 0.432 8.75E-4 0.04 0.435 9.35E-4 0.06 0.0693 0.9891 3120114 ChemDiv3_006878 Cc1cc(C)nc(Nc2n[nH]c(n2)c3ccccc3C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I15 compound treatment 0.436 0.00488 0.23 0.426 -0.00806 -0.49 -0.179 -0.3326 3027326 ChemDiv3_006879 Cc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(=O)N)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I16 compound treatment 0.441 0.00988 0.47 0.429 -0.00506 -0.3 0.1172 0.209 3120115 ChemDiv3_006880 OC(=O)CCN1CN(CCC(=O)O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I17 compound treatment 0.445 0.0139 0.66 0.441 0.00694 0.42 0.763 0.9754 3027327 ChemDiv3_006881 CN(C)c1nc(OCCNS(=O)(=O)c2ccc(C)cc2)nc(n1)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I18 compound treatment 0.448 0.0169 0.8 0.451 0.0169 1.02 1.2898 0.9931 1732213 ChemDiv3_006882 Cc1nc2sc3c(NC4CCCCC4)ncnc3c2c5CC(C)(C)OCc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I19 compound treatment 0.485 0.0539 2.57 0.477 0.0429 2.59 3.644 1.0 3117823 ChemDiv3_006883 COc1ccc(cc1OC)S(=O)(=O)N(C(=O)C2CCCCC2)c3ccc4oc(=O)sc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I20 compound treatment 0.44 0.00888 0.42 0.432 -0.00206 -0.12 0.2113 0.4791 1788191 ChemDiv3_006884 COc1cc2CCN(C3Cc4ccc(OC(=O)C)cc4-c(c1OC)c32)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I21 compound treatment 0.437 0.00588 0.28 0.446 0.0119 0.72 0.7062 0.9156 3117824 ChemDiv3_006885 CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I22 compound treatment 0.511 0.0799 3.81 0.514 0.0799 4.81 6.0956 0.9933 3027328 ChemDiv3_006886 O=C(c1ccco1)c2cn(Cc3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I23 mock treatment 0.425 -0.00612 -0.29 0.434 -6.45E-5 0.0 -0.2092 -0.7165 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 I24 mock treatment 0.434 0.00288 0.14 0.44 0.00594 0.36 0.3496 0.9134 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J01 compound treatment 0.438 0.00688 0.33 0.431 -0.00306 -0.18 0.1013 0.2693 3117825 ChemDiv3_006887 CN(CCc1ccccn1)Cc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J02 compound treatment 0.47 0.0389 1.85 0.463 0.0289 1.74 2.5423 0.9995 3117826 ChemDiv3_006888 Cc1nnc2sc(nn12)c3ccc(NC(=O)COc4ccc(C)cc4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J03 compound treatment 0.57 0.139 6.62 0.615 0.181 10.89 12.3844 0.9715 3027329 ChemDiv3_006889 Nc1c(cc(C#N)c2nc3ccccc3n12)c4nc5ccccc5[nH]4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J04 compound treatment 0.386 -0.0451 -2.15 0.382 -0.0521 -3.13 -3.7377 -0.9831 3117827 ChemDiv3_006890 CCCN(CCC)S(=O)(=O)c1cccc(c1)c2cn3ccc(C)cc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J05 compound treatment 0.453 0.0219 1.04 0.45 0.0159 0.96 1.4158 0.9991 3027330 ChemDiv3_006891 COC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J06 compound treatment 0.459 0.0279 1.33 0.446 0.0119 0.72 1.4478 0.9583 1190486 ChemDiv3_006892 Sc1nc2ccc(cc2o1)S(=O)(=O)Nc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J07 compound treatment 0.511 0.0799 3.81 0.504 0.0699 4.21 5.6699 0.9987 3027331 ChemDiv3_006893 CCCCn1cc(C2CC(=O)N(C2=O)c3ccc(Br)cc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J08 compound treatment 0.464 0.0329 1.57 0.479 0.0449 2.71 3.0213 0.9663 3117828 ChemDiv3_006894 CC1CN(CC(C)O1)S(=O)(=O)c2ccc3NC(=O)c4cccc2c34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J09 compound treatment 0.456 0.0249 1.19 0.455 0.0209 1.26 1.7298 0.9995 3117829 ChemDiv3_006895 COc1cc(cc(OC)c1OC)c2nn3c(nnc3s2)c4ccc(cc4)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J10 compound treatment 0.441 0.00988 0.47 0.442 0.00794 0.48 0.6707 1.0 3027332 ChemDiv3_006896 OC(=O)CCNC(=O)c1ccc(NC(=O)C(c2ccccc2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J11 compound treatment 0.463 0.0319 1.52 0.461 0.0269 1.62 2.2212 0.9995 3117830 ChemDiv3_006897 Cc1nn(c(O)c1C2OC(=O)c3ccccc23)c4nc5ccccc5s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J12 compound treatment 0.459 0.0279 1.33 0.458 0.0239 1.44 1.9586 0.9992 3117831 ChemDiv3_006898 CCOc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J13 compound treatment 0.429 -0.00212 -0.1 0.427 -0.00706 -0.43 -0.3724 -0.8517 3027333 ChemDiv3_006899 OC(=O)C1OC(=NC21CC2)c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J14 compound treatment 0.439 0.00788 0.38 0.43 -0.00406 -0.24 0.0924 0.2062 3117832 ChemDiv3_006900 COC(=O)C(CC(=O)c1ccc(Br)cc1)n2cncn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J15 compound treatment 0.426 -0.00512 -0.24 0.433 -0.00106 -0.06 -0.2181 -0.8634 3027334 ChemDiv3_006901 CCC1CC(CSc2nnc[nH]2)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J16 compound treatment 0.467 0.0359 1.71 0.463 0.0289 1.74 2.4412 1.0 3117833 ChemDiv3_006902 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC(Cc4c[nH]c5ccccc45)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J17 compound treatment 0.435 0.00388 0.18 0.441 0.00694 0.42 0.4259 0.9327 3027335 ChemDiv3_006903 Cc1ccc(cc1)S(=O)(=O)n2c(=O)sc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J18 compound treatment 0.432 8.75E-4 0.04 0.435 9.35E-4 0.06 0.0693 0.9891 3117834 ChemDiv3_006904 Cc1cc2-c3ccccc3NC(c4cccnc4)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J19 compound treatment 0.431 -1.25E-4 -0.01 0.437 0.00294 0.18 0.1208 0.6829 3027336 ChemDiv3_006905 FC(F)(F)c1ccccc1NC(=O)C2CCCNC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J20 compound treatment 0.428 -0.00312 -0.15 0.431 -0.00306 -0.18 -0.2358 -0.9944 3117835 ChemDiv3_006906 CC(C)NC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J21 compound treatment 0.444 0.0129 0.61 0.445 0.0109 0.66 0.8996 0.9994 3027337 ChemDiv3_006907 FC(F)(F)c1ccccc1Nc2nc(cs2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J22 compound treatment 0.429 -0.00212 -0.1 0.436 0.00194 0.12 0.0108 0.0698 3117836 ChemDiv3_006908 FC(F)(F)c1cc(nc(SCCC(=O)N2CCCc3ccccc23)n1)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J23 mock treatment 0.432 8.75E-4 0.04 0.428 -0.00606 -0.37 -0.2287 -0.6223 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 J24 mock treatment 0.425 -0.00612 -0.29 0.437 0.00294 0.18 -0.0815 -0.2387 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K01 compound treatment 0.433 0.00188 0.09 0.433 -0.00106 -0.06 0.0179 0.1626 3117837 ChemDiv3_006909 CN(C1CCCCC1)S(=O)(=O)c2ccc(C)c(c2)c3nnc4c5ccccc5c(C)nn34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K02 compound treatment 0.449 0.0179 0.85 0.444 0.00994 0.6 1.0255 0.985 3027338 ChemDiv3_006910 Cc1ccc(cc1)N2C(=O)C3SC(=C(C#N)C(C3C2=O)c4ccco4)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K03 compound treatment 0.433 0.00188 0.09 0.435 9.35E-4 0.06 0.103 0.9752 3117838 ChemDiv3_006911 CCOc1ccc(cc1)C(Nc2ccccc2)P3(=S)OCCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K04 compound treatment 0.529 0.0979 4.67 0.516 0.0819 4.93 6.7875 0.9996 3027339 ChemDiv3_006912 CC(C)C(=O)n1nc(nc1NCc2ccccc2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K05 compound treatment 0.449 0.0179 0.85 0.437 0.00294 0.18 0.7275 0.836 3117839 ChemDiv3_006913 Cc1ccc(CNC(=O)c2nc(O)c3nnn(Cc4ccco4)c3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K06 compound treatment 0.481 0.0499 2.38 0.49 0.0559 3.37 4.0626 0.9855 3027340 ChemDiv3_006914 CC(C)C(=O)Nc1c(oc2ccccc12)C(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K07 compound treatment 0.377 -0.0541 -2.58 0.361 -0.0731 -4.4 -4.9351 -0.9677 3117840 ChemDiv3_006915 Nc1oc2c(CN3CCCCCC3)c(O)ccc2c(=O)c1c4nc5ccccc5s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K08 compound treatment 0.439 0.00788 0.38 0.442 0.00794 0.48 0.6033 0.9929 3117841 ChemDiv3_006916 CS(=O)(=O)Nc1ccc2n3CCN(Cc4ccccc4)Cc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K09 compound treatment 0.433 0.00188 0.09 0.43 -0.00406 -0.24 -0.1098 -0.4216 3027341 ChemDiv3_006917 COc1cccc(Oc2coc3cc(OC(=O)N(C)C)ccc3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K10 compound treatment 0.435 0.00388 0.18 0.445 0.0109 0.66 0.5962 0.8718 3117842 ChemDiv3_006918 Cc1nc(sc1C(=O)OCC=C)N2C(c3c(oc4ccc(F)cc4c3=O)C2=O)c5ccc(O)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K11 compound treatment 0.428 -0.00312 -0.15 0.422 -0.0121 -0.73 -0.619 -0.8347 1615206 ChemDiv3_006919 N#Cc1ccc(nc1SCCN2CCCCC2)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K12 compound treatment 0.444 0.0129 0.61 0.443 0.00894 0.54 0.8144 0.9978 3117843 ChemDiv3_006920 CCN1CNC(=NC1)Nc2nc(C)c3cc(C)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K13 compound treatment 0.468 0.0369 1.76 0.448 0.0139 0.84 1.8363 0.9427 3027494 ChemDiv3_006921 CCOc1csc2nc(C)cc(C)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K14 compound treatment 0.33 -0.101 -4.82 0.331 -0.103 -6.21 -7.7966 -0.9922 3117844 ChemDiv3_006922 CCc1ccc(cc1)C2C3=C(CCCC3=O)Nc4nn(c(O)c24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K15 compound treatment 0.501 0.0699 3.33 0.512 0.0779 4.69 5.6734 0.9859 3027495 ChemDiv3_006923 Cc1ccccc1OC2C(N(CCc3ccc(F)cc3)C2=O)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K16 compound treatment 0.452 0.0209 1.0 0.442 0.00794 0.48 1.0415 0.9435 3117845 ChemDiv3_006924 Cn1c2ccc(F)cc2c3nnc(NN)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K17 compound treatment 0.469 0.0379 1.81 0.469 0.0349 2.1 2.764 0.9971 3117846 ChemDiv3_006925 Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)Nc3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K18 compound treatment 0.444 0.0129 0.61 0.454 0.0199 1.2 1.2827 0.9515 1216864 ChemDiv3_006926 CC(C)CNc1ncnc2c1sc3nc(C(C)C)c4COC(C)(C)Cc4c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K19 compound treatment 0.522 0.0909 4.33 0.523 0.0889 5.35 6.8496 0.9945 3117847 ChemDiv3_006927 Cc1ccc(c(C)c1)S(=O)(=O)N(C(=O)Oc2ccccc2)c3ccc4oc(=O)sc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K20 compound treatment 0.442 0.0109 0.52 0.437 0.00294 0.18 0.4915 0.8975 3027496 ChemDiv3_006928 CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/O)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K21 compound treatment 0.549 0.118 5.62 0.555 0.121 7.28 9.1221 0.9918 3117978 ChemDiv3_006929 CC1(C)CC(=O)C2=C(C1)NC(=NC2c3ccccc3)Nc4nc5ccccc5o4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K22 compound treatment 0.505 0.0739 3.52 0.531 0.0969 5.84 6.6172 0.9707 3027497 ChemDiv3_006930 CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)CC)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K23 mock treatment 0.425 -0.00612 -0.29 0.431 -0.00306 -0.18 -0.3369 -0.9755 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 K24 mock treatment 0.446 0.0149 0.71 0.446 0.0119 0.72 1.0096 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L01 compound treatment 0.449 0.0179 0.85 0.445 0.0109 0.66 1.0681 0.9919 3117979 ChemDiv3_006931 CC(C)n1cc(cn1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L02 compound treatment 0.476 0.0449 2.14 0.47 0.0359 2.16 3.0426 1.0 3117980 ChemDiv3_006932 COc1ccc(cc1)C2NC(=O)c3c4CCCc4sc3N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L03 compound treatment 0.455 0.0239 1.14 0.446 0.0119 0.72 1.3129 0.9754 3027540 ChemDiv3_006933 CC(C)CC(NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L04 compound treatment 0.409 -0.0221 -1.05 0.41 -0.0241 -1.45 -1.7703 -0.9878 3117981 ChemDiv3_006934 O=S(=O)(N1CCCCC1)c2cccc(c2)c3cn4ccccc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L05 compound treatment 0.451 0.0199 0.95 0.44 0.00594 0.36 0.9226 0.9112 3027541 ChemDiv3_006935 COC(=O)c1n[nH]c2C(=O)N(C3CCCCC3)C(=O)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L06 compound treatment 0.434 0.00288 0.14 0.439 0.00494 0.3 0.307 0.9382 3117982 ChemDiv3_006936 Cn1c(=O)n(C)c2cc(ccc12)S(=O)(=O)NCCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L07 compound treatment 0.443 0.0119 0.57 0.439 0.00494 0.3 0.6104 0.9547 1330090 ChemDiv3_006937 COc1cc2CCN(CCC(=O)O)Cc2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L08 compound treatment 0.452 0.0209 1.0 0.458 0.0239 1.44 1.7227 0.9836 3117983 ChemDiv3_006938 OC(=O)c1ccc2nc(sc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L09 compound treatment 0.452 0.0209 1.0 0.459 0.0249 1.5 1.7653 0.9801 3117984 ChemDiv3_006939 C(c1nnc2sc(Nc3ccccc3)nn12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L10 compound treatment 0.429 -0.00212 -0.1 0.436 0.00194 0.12 0.0108 0.0698 3027542 ChemDiv3_006940 O/N=C(/C(=O)NCC1CCNCC1)\c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L11 compound treatment 0.442 0.0109 0.52 0.44 0.00594 0.36 0.6193 0.9835 3117985 ChemDiv3_006941 Cc1nonc1OCC2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L12 compound treatment 0.478 0.0469 2.23 0.48 0.0459 2.77 3.5357 0.9944 3117986 ChemDiv3_006942 COC(=O)c1ccccc1NC(=O)C(C)N2c3cccc4cccc(c34)S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L13 compound treatment 0.443 0.0119 0.57 0.455 0.0209 1.26 1.2916 0.9347 3027543 ChemDiv3_006943 Cc1ccccc1N2C(=O)c3ccccc3S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L14 compound treatment 0.706 0.275 13.1 0.673 0.239 14.39 19.438 0.9989 3117987 ChemDiv3_006944 OCCN1CCOC2(O)C1=C/C(=N\S(=O)(=O)c3ccccc3)/c4ccccc42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L15 compound treatment 0.44 0.00888 0.42 0.442 0.00794 0.48 0.637 0.9982 3027544 ChemDiv3_006945 CC(C)CNCC1COc2ccccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L16 compound treatment 0.455 0.0239 1.14 0.461 0.0269 1.62 1.9515 0.985 3117988 ChemDiv3_006946 OC(=O)C1CCCN1S(=O)(=O)c2ccc3NC(=O)c4cccc2c34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L17 compound treatment 0.461 0.0299 1.42 0.461 0.0269 1.62 2.1538 0.9979 3027545 ChemDiv3_006947 OC(=O)c1ccc(NC(=O)CSC2c3ccccc3Oc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L18 compound treatment 0.436 0.00488 0.23 0.447 0.0129 0.78 0.715 0.8798 3117989 ChemDiv3_006948 COc1ccc(cc1)C2Nc3ccccc3-c4cc(C)nn24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L19 compound treatment 0.434 0.00288 0.14 0.437 0.00294 0.18 0.2219 0.9921 3027546 ChemDiv3_006949 CC(=O)N1CCc2cc3nc(C)cc(C)c3cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L20 compound treatment 0.457 0.0259 1.23 0.456 0.0219 1.32 1.8061 0.9994 3117990 ChemDiv3_006950 COc1ccc(OCCn2cc(C(=O)C(C)(C)C)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L21 compound treatment 0.45 0.0189 0.9 0.446 0.0119 0.72 1.1444 0.9938 3027547 ChemDiv3_006951 Cc1oc(cc1c2nn3c(nnc3s2)c4ccco4)c5ccc(Cl)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L22 compound treatment 0.447 0.0159 0.76 0.453 0.0189 1.14 1.3413 0.9802 3117991 ChemDiv3_006952 FC(F)(F)c1cc(nc(SCCC(=O)NCCc2ccccc2)n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L23 mock treatment 0.444 0.0129 0.61 0.44 0.00594 0.36 0.6867 0.9669 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 L24 mock treatment 0.436 0.00488 0.23 0.449 0.0149 0.9 0.8002 0.8615 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M01 compound treatment 0.433 0.00188 0.09 0.431 -0.00306 -0.18 -0.0673 -0.3281 3027548 ChemDiv3_006953 CCCCN(C)S(=O)(=O)c1ccc(C)c(c1)c2nnc3c4ccccc4c(C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M02 compound treatment 0.448 0.0169 0.8 0.44 0.00594 0.36 0.8215 0.9333 3117992 ChemDiv3_006954 Cc1ccc2nc(oc2c1)c3cccc(n3)c4nc5ccc(C)cc5o4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M03 compound treatment 0.466 0.0349 1.66 0.484 0.0499 3.01 3.3015 0.961 3117993 ChemDiv3_006955 Cc1ccc(NC(=O)CC2(C(=O)c3ccccc3C2=O)c4ccc(Br)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M04 compound treatment 0.462 0.0309 1.47 0.473 0.0389 2.34 2.6984 0.9748 3027549 ChemDiv3_006956 CC(=O)n1nc(nc1NCc2ccc(F)cc2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M05 compound treatment 0.436 0.00488 0.23 0.439 0.00494 0.3 0.3745 0.9926 3117994 ChemDiv3_006957 Oc1nc(nc2n(Cc3ccc4OCOc4c3)nnc12)C(=O)Nc5ccccc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M06 compound treatment 0.471 0.0399 1.9 0.472 0.0379 2.28 2.9592 0.9958 3027550 ChemDiv3_006958 COc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M07 compound treatment 0.435 0.00388 0.18 0.431 -0.00306 -0.18 1.0E-4 6.0E-4 3117995 ChemDiv3_006959 CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M08 compound treatment 0.446 0.0149 0.71 0.451 0.0169 1.02 1.2224 0.9842 3027551 ChemDiv3_006960 Clc1ccc(NC(=O)CN2C(=O)COc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M09 compound treatment 0.48 0.0489 2.33 0.481 0.0469 2.83 3.6457 0.9954 3117996 ChemDiv3_006961 CCOc1ccccc1Oc2c(C)oc3cc(O)ccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M10 compound treatment 0.436 0.00488 0.23 0.438 0.00394 0.24 0.3319 1.0 3117997 ChemDiv3_006962 Cc1ccc(nc1)N2C(c3c(oc4cc(C)c(C)cc4c3=O)C2=O)c5ccc(O)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M11 compound treatment 0.523 0.0919 4.38 0.534 0.0999 6.02 7.3516 0.9878 1531927 ChemDiv3_006963 N#Cc1ccc(nc1SCc2ccccn2)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M12 compound treatment 0.432 8.75E-4 0.04 0.435 9.35E-4 0.06 0.0693 0.9891 3117998 ChemDiv3_006964 CCCCN1CNC(=NC1)Nc2nc(C)c3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M13 compound treatment 0.432 8.75E-4 0.04 0.424 -0.0101 -0.61 -0.399 -0.6569 3027552 ChemDiv3_006965 CCC1CCc2[nH]c(=S)c(C#N)c(c2C1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M14 compound treatment 0.439 0.00788 0.38 0.436 0.00194 0.12 0.3479 0.885 3117999 ChemDiv3_006966 O=C(CN1C(=O)CSC1=O)Nc2ccccc2N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M15 compound treatment 0.433 0.00188 0.09 0.44 0.00594 0.36 0.3159 0.8575 3118000 ChemDiv3_006967 COc1ccc(OC2C(N(Cc3ccc(F)cc3)C2=O)c4ccc(OC)c(OC)c4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M16 compound treatment 0.495 0.0639 3.04 0.494 0.0599 3.61 4.7048 0.9964 3027553 ChemDiv3_006968 CCn1c2ccc(F)cc2c3nnc(NN)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M17 compound treatment 0.547 0.116 5.52 0.542 0.108 6.5 8.5012 0.9967 3118001 ChemDiv3_006969 Oc1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1c4nc5ccccc5o4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M18 compound treatment 0.44 0.00888 0.42 0.436 0.00194 0.12 0.3816 0.8695 1296351 ChemDiv3_006970 CCN(CC)CCNc1ncnc2c1sc3nc(C(C)C)c4CCCCc4c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M19 compound treatment 0.484 0.0529 2.52 0.49 0.0559 3.37 4.1637 0.9898 3118002 ChemDiv3_006971 COc1ccc(cc1OC)S(=O)(=O)N(C(=O)Oc2ccccc2)c3ccc4oc(=O)sc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M20 compound treatment 0.443 0.0119 0.57 0.442 0.00794 0.48 0.7381 0.9964 3027554 ChemDiv3_006972 CN/C=C/1\C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M21 compound treatment 0.503 0.0719 3.43 0.508 0.0739 4.45 5.5705 0.9916 3118003 ChemDiv3_006973 COc1ccccc1C2C(=C3N=C(N)c4ccccc4N3C5=C2C(=O)CCC5)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M22 compound treatment 0.446 0.0149 0.71 0.458 0.0239 1.44 1.5204 0.9466 3027555 ChemDiv3_006974 Fc1cnc(nc1N2CCc3ccccc23)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M23 mock treatment 0.431 -1.25E-4 -0.01 0.434 -6.45E-5 0.0 -0.007 -0.9785 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 M24 mock treatment 0.435 0.00388 0.18 0.436 0.00194 0.12 0.213 0.9753 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N01 compound treatment 0.449 0.0179 0.85 0.439 0.00494 0.3 0.8127 0.9005 1879463 ChemDiv3_006975 CSc1nnc2nc3n(C)c4ccccc4c3nn12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N02 compound treatment 0.429 -0.00212 -0.1 0.431 -0.00306 -0.18 -0.2021 -0.9601 3118004 ChemDiv3_006976 COc1ccc(cc1)c2nc(SC)c3COC(C)(C)Cc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N03 compound treatment 0.436 0.00488 0.23 0.442 0.00794 0.48 0.5022 0.9452 3027605 ChemDiv3_006977 OC(=O)C(Cc1ccccc1)NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N04 compound treatment 0.414 -0.0171 -0.82 0.422 -0.0121 -0.73 -1.0909 -0.9983 3118005 ChemDiv3_006978 CCOc1cc(ccc1O)C2N(CCc3ccc(OC)cc3)C(=O)c4oc5ccc(F)cc5c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N05 compound treatment 0.445 0.0139 0.66 0.45 0.0159 0.96 1.1461 0.9835 3027606 ChemDiv3_006979 COC(=O)c1n[nH]c2C(=O)N(Cc3ccccc3)C(=O)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N06 compound treatment 0.433 0.00188 0.09 0.425 -0.00906 -0.55 -0.3227 -0.5835 3118006 ChemDiv3_006980 COc1ccc(cc1)N(C(=O)C(C)C)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N07 compound treatment 0.437 0.00588 0.28 0.427 -0.00706 -0.43 -0.1027 -0.2017 1477484 ChemDiv3_006981 CNCc1cc2ccccc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N08 compound treatment 0.436 0.00488 0.23 0.425 -0.00906 -0.55 -0.2216 -0.3736 3118135 ChemDiv3_006982 COc1ccccc1C(CCNCc2ccccc2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N09 compound treatment 0.442 0.0109 0.52 0.447 0.0129 0.78 0.9173 0.9804 3027607 ChemDiv3_006983 C(Cc1ccccc1)c2nn3c(COc4ccccc4)nnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N10 compound treatment 0.433 0.00188 0.09 0.43 -0.00406 -0.24 -0.1098 -0.4216 3118136 ChemDiv3_006984 O/N=C/c1ccc(cn1)C(=O)NCC2CCCO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N11 compound treatment 0.418 -0.0131 -0.63 0.421 -0.0131 -0.79 -0.9986 -0.9936 1579314 ChemDiv3_006985 COc1cccc(Nc2cc(C)c3ccccc3n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N12 compound treatment 0.431 -1.25E-4 -0.01 0.438 0.00394 0.24 0.1633 0.6891 3118137 ChemDiv3_006986 CC(N1c2cccc3cccc(c23)S1(=O)=O)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N13 compound treatment 0.448 0.0169 0.8 0.475 0.0409 2.46 2.3116 0.8916 3118138 ChemDiv3_006987 COc1ccc(cc1)N2C(=O)c3ccccc3S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N14 compound treatment 0.44 0.00888 0.42 0.439 0.00494 0.3 0.5093 0.9851 3027608 ChemDiv3_006988 Cc1oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N15 compound treatment 0.441 0.00988 0.47 0.436 0.00194 0.12 0.4153 0.8563 3118139 ChemDiv3_006989 Cc1ccc2nc(O)c(cc2c1)c3noc(n3)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N16 compound treatment 0.438 0.00688 0.33 0.427 -0.00706 -0.43 -0.069 -0.1286 3118140 ChemDiv3_006990 CCC(NCC(O)Cn1c2ccccc2c3ccccc13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N17 compound treatment 0.474 0.0429 2.04 0.486 0.0519 3.13 3.6564 0.9788 3027609 ChemDiv3_006991 O=C1C(Oc2ccccc2)C(N1C3CCCC3)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N18 compound treatment 0.439 0.00788 0.38 0.44 0.00594 0.36 0.5181 0.9997 3118141 ChemDiv3_006992 Cc1cc2-c3cc(C)ccc3NC(c4cccnc4)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N19 compound treatment 0.439 0.00788 0.38 0.434 -6.45E-5 0.0 0.2627 0.6998 1141558 ChemDiv3_006993 C=CC1CN2CCC1CC2C(OC(=O)c3ccco3)c4ccnc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N20 compound treatment 0.539 0.108 5.14 0.533 0.0989 5.96 7.8484 0.9973 3027610 ChemDiv3_006994 Cc1ccccc1OCCCn2cc(C(=O)C(C)(C)C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N21 compound treatment 0.433 0.00188 0.09 0.439 0.00494 0.3 0.2733 0.8808 3118142 ChemDiv3_006995 Clc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(c5ccccc5)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N22 compound treatment 0.43 -0.00112 -0.05 0.426 -0.00806 -0.49 -0.3813 -0.7805 3118143 ChemDiv3_006996 FC(F)(F)c1cc(nc(SCCC(=O)NCc2ccncc2)n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N23 mock treatment 0.434 0.00288 0.14 0.439 0.00494 0.3 0.307 0.9382 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 N24 mock treatment 0.427 -0.00412 -0.2 0.44 0.00594 0.36 0.1137 0.2786 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O01 compound treatment 0.427 -0.00412 -0.2 0.434 -6.45E-5 0.0 -0.1418 -0.7209 3027611 ChemDiv3_006997 COc1ccc(cc1S(=O)(=O)NC(C)(C)C)c2nnc3c4ccccc4c(C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O02 compound treatment 0.409 -0.0221 -1.05 0.425 -0.00906 -0.55 -1.1317 -0.953 3118144 ChemDiv3_006998 C(c1ccc2[nH]cnc2c1)c3ccc4[nH]cnc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O03 compound treatment 0.428 -0.00312 -0.15 0.431 -0.00306 -0.18 -0.2358 -0.9944 3027612 ChemDiv3_006999 NC(=N)NC(=N)Nc1ccccc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O04 compound treatment 0.479 0.0479 2.28 0.484 0.0499 3.01 3.7397 0.9907 3118145 ChemDiv3_007000 COc1ccc(CC(=O)n2nc(nc2NCc3ccco3)c4ccc(Cl)cc4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O05 compound treatment 0.465 0.0339 1.61 0.436 0.00194 0.12 1.2242 0.7562 3027613 ChemDiv3_007001 CCc1nnc(Cn2nnc3c(O)nc(nc23)C(=O)Nc4ccc(C)cc4)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O06 compound treatment 0.46 0.0289 1.38 0.451 0.0169 1.02 1.6943 0.9891 3118146 ChemDiv3_007002 Clc1ccc(cc1)C(=O)Nc2c(oc3ccccc23)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O07 compound treatment 0.427 -0.00412 -0.2 0.416 -0.0181 -1.09 -0.9081 -0.8216 3118147 ChemDiv3_007003 COc1ccc(cc1)c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O08 compound treatment 0.445 0.0139 0.66 0.45 0.0159 0.96 1.1461 0.9835 3027614 ChemDiv3_007004 Cc1nn2c(nnc2c3ccccc13)c4ccc(NC(=O)c5ccccc5Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O09 compound treatment 0.43 -0.00112 -0.05 0.422 -0.0121 -0.73 -0.5516 -0.7572 3118148 ChemDiv3_007005 Cc1ccc(OCC(O)Cn2c(=N)n(CC=C)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O10 compound treatment 0.483 0.0519 2.47 0.494 0.0599 3.61 4.3003 0.983 3027615 ChemDiv3_007006 Cc1ccc(Cn2cc(CO)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O11 compound treatment 0.431 -1.25E-4 -0.01 0.432 -0.00206 -0.12 -0.0921 -0.7402 1633269 ChemDiv3_007007 CC(C)(C)C(=O)CSc1nc2C3CCN(CC3)c2cc1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O12 compound treatment 0.45 0.0189 0.9 0.449 0.0149 0.9 1.2721 1.0 3027616 ChemDiv3_007008 CCCCN1CNC(=NC1)Nc2nc3ccccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O13 compound treatment 0.444 0.0129 0.61 0.424 -0.0101 -0.61 0.0055 0.0064 3118149 ChemDiv3_007009 Cc1[nH]nc2OC(=C(C#N)C3(CCN(CC3)C(=O)c4ccccc4)c12)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O14 compound treatment 0.501 0.0699 3.33 0.516 0.0819 4.93 5.8437 0.9817 3027617 ChemDiv3_007010 CCN1C(c2ccccc2)n3c(nc4ccccc34)-c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O15 compound treatment 0.495 0.0639 3.04 0.51 0.0759 4.57 5.386 0.9805 3118150 ChemDiv3_007011 COC(=O)c1ccc(cc1)C2C(Oc3ccc(OC)cc3)C(=O)N2Cc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O16 compound treatment 0.53 0.0989 4.71 0.508 0.0739 4.45 6.4806 0.9996 3027618 ChemDiv3_007012 FC(F)(F)c1cccc2c3nc4ccccc4nc3[nH]c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O17 compound treatment 0.507 0.0759 3.62 0.506 0.0719 4.33 5.6202 0.996 3118151 ChemDiv3_007013 COC(=O)C1=NN(C2C1C(=O)N(C2=O)c3ccccc3OC)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O18 compound treatment 0.44 0.00888 0.42 0.47 0.0359 2.16 1.8291 0.8297 1305651 ChemDiv3_007014 CC(C)c1nc2sc3c(NCC4CCCO4)ncnc3c2c5CCCCc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O19 compound treatment 0.442 0.0109 0.52 0.444 0.00994 0.6 0.7896 0.9975 3027619 ChemDiv3_007015 CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O20 compound treatment 0.45 0.0189 0.9 0.455 0.0209 1.26 1.5276 0.9863 1486140 ChemDiv3_007016 CC1=C(Cc2cc3ccc(=O)oc3cc2O)CC(C)(C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O21 compound treatment 0.506 0.0749 3.57 0.516 0.0819 4.93 6.0122 0.9874 3118152 ChemDiv3_007017 CC1(C)CC(=O)C2=C(C1)N3C(=C(C#N)C2c4cccnc4)N=C(N)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O22 compound treatment 0.441 0.00988 0.47 0.444 0.00994 0.6 0.7559 0.993 3027672 ChemDiv3_007018 OC(=O)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O23 mock treatment 0.424 -0.00712 -0.34 0.431 -0.00306 -0.18 -0.3706 -0.9589 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 O24 mock treatment 0.461 0.0299 1.42 0.445 0.0109 0.66 1.4726 0.9386 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P01 compound treatment 0.461 0.0299 1.42 0.431 -0.00306 -0.18 0.8765 0.6104 3118153 ChemDiv3_007019 C(Sc1nnc-2c(OC=Nc3ccccc32)n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P02 compound treatment 0.434 0.00288 0.14 0.426 -0.00806 -0.49 -0.2464 -0.4884 3027673 ChemDiv3_007020 Cc1cc(C)nc(SCc2cnc(C)nc2N)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P03 compound treatment 0.435 0.00388 0.18 0.445 0.0109 0.66 0.5962 0.8718 3118154 ChemDiv3_007021 Cc1cc(C)c(C(=O)/C=C(\N2CCCC2)/C(F)(F)F)c(=O)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P04 compound treatment 0.446 0.0149 0.71 0.449 0.0149 0.9 1.1373 0.9931 1726419 ChemDiv3_007022 Cc1[nH]c2ccc(cc2c1CC(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P05 compound treatment 0.452 0.0209 1.0 0.446 0.0119 0.72 1.2118 0.9872 3118155 ChemDiv3_007023 COc1ccc(cc1)C2N(OC(=O)N2c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P06 compound treatment 0.407 -0.0241 -1.15 0.403 -0.0311 -1.87 -2.1358 -0.9727 3027674 ChemDiv3_007024 CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2C)/Sc4cc(OC)ccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P07 compound treatment 0.458 0.0269 1.28 0.457 0.0229 1.38 1.8824 0.9993 3118156 ChemDiv3_007025 COc1ccc(cc1OC)c2onc3ccc4c5ccccc5oc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P08 compound treatment 0.457 0.0259 1.23 0.463 0.0289 1.74 2.1041 0.9857 3118157 ChemDiv3_007026 Cc1ccc(cc1)S(=O)(=O)NCCC(c2ccco2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P09 compound treatment 0.441 0.00988 0.47 0.448 0.0139 0.84 0.9262 0.9627 3027675 ChemDiv3_007027 OC(=O)CCN/C=C/1\C(=O)Oc2ccccc2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P10 compound treatment 0.43 -0.00112 -0.05 0.43 -0.00406 -0.24 -0.211 -0.8421 3027676 ChemDiv3_007028 O/N=C/C(=O)NCc1ccccn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P11 compound treatment 0.516 0.0849 4.05 0.529 0.0949 5.72 6.9028 0.9857 3118158 ChemDiv3_007029 COc1ccc(Nc2nc3ccc(C)cc3nc2Nc4ccc(OC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P12 compound treatment 0.433 0.00188 0.09 0.428 -0.00606 -0.37 -0.195 -0.5187 3118159 ChemDiv3_007030 CC(N1c2cccc3cccc(c23)S1(=O)=O)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P13 compound treatment 0.457 0.0259 1.23 0.45 0.0159 0.96 1.5506 0.9923 3027677 ChemDiv3_007031 COCc1cc(C)nc2sc(C(=O)N3CCN(CC3)c4ccccc4)c(N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P14 compound treatment 0.428 -0.00312 -0.15 0.43 -0.00406 -0.24 -0.2784 -0.9717 3118160 ChemDiv3_007032 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1Sc3nc[nH]n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P15 compound treatment 0.439 0.00788 0.38 0.439 0.00494 0.3 0.4756 0.9933 1714084 ChemDiv3_007033 COc1ccc(Br)cc1S(=O)(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P16 compound treatment 0.433 0.00188 0.09 0.433 -0.00106 -0.06 0.0179 0.1626 3118289 ChemDiv3_007034 CSc1nc2NC(C)(C)CC(=O)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P17 compound treatment 0.479 0.0479 2.28 0.471 0.0369 2.22 3.1863 0.9999 3118290 ChemDiv3_007035 COC(=O)c1ccc(cc1)C2C(Oc3ccccc3)C(=O)N2CCc4ccc(OC)c(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P18 compound treatment 0.502 0.0709 3.38 0.499 0.0649 3.91 5.1536 0.9974 3027678 ChemDiv3_007036 Cc1cc2-c3cccc(C)c3NC(/C=C\c4ccccc4)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P19 compound treatment 0.444 0.0129 0.61 0.448 0.0139 0.84 1.0273 0.9882 1446881 ChemDiv3_007037 CCOC(=O)NC1CCS(=O)(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P20 compound treatment 0.441 0.00988 0.47 0.434 -6.45E-5 0.0 0.3301 0.7012 3027679 ChemDiv3_007038 CC(C)(C)C(=O)c1cn(CC(=O)O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P21 compound treatment 0.445 0.0139 0.66 0.443 0.00894 0.54 0.8481 0.9947 3118291 ChemDiv3_007039 COC(=O)CC1N(CCNC1=O)C(=O)NS(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P22 compound treatment 0.448 0.0169 0.8 0.454 0.0199 1.2 1.4176 0.9811 3118292 ChemDiv3_007040 FC(F)(F)c1cc(nc(SCCC(=O)Nc2ccccc2)n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P23 mock treatment 0.426 -0.00512 -0.24 0.445 0.0109 0.66 0.2928 0.417 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2020 P24 mock treatment 0.429 -0.00212 -0.1 0.433 -0.00106 -0.06 -0.117 -0.9756 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A01 compound treatment 0.453 0.0188 0.9 0.455 0.0217 1.31 1.557 0.9832 3027680 ChemDiv3_007041 FC(F)(F)c1cc(nc(SCCCC(=O)NC2CCCC2)n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A02 compound treatment 0.446 0.0118 0.56 0.454 0.0207 1.24 1.2785 0.9357 3118293 ChemDiv3_007042 CC(C)CCNC(=O)c1c(C)oc2C(=O)c3ccccc3C(=O)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A03 compound treatment 0.426 -0.00819 -0.39 0.424 -0.00932 -0.56 -0.6729 -0.9842 1788862 ChemDiv3_007043 O=C(Nc1cccnc1)c2nc3ncccn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A04 compound treatment 0.449 0.0148 0.71 0.455 0.0217 1.31 1.4222 0.9584 1875739 ChemDiv3_007044 OC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)NC(=O)c4cccc(c2)c43)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A05 compound treatment 0.454 0.0198 0.94 0.463 0.0297 1.79 1.9313 0.9556 3027681 ChemDiv3_007045 COC(=O)CSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A06 compound treatment 0.43 -0.00419 -0.2 0.429 -0.00432 -0.26 -0.3252 -0.9914 3118294 ChemDiv3_007046 COc1ccc2[nH]c(SCc3cnc(C)nc3N)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A07 compound treatment 0.433 -0.00119 -0.06 0.424 -0.00932 -0.56 -0.4369 -0.7745 3027682 ChemDiv3_007047 CCSC1=C(C#N)C(=O)NC(CO)S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A08 compound treatment 0.553 0.119 5.66 0.557 0.124 7.45 9.2704 0.9909 3118295 ChemDiv3_007048 Clc1ccc(cc1)C2C3=C(Nc4ccccc4S2(=O)=O)c5ccccc5C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A09 compound treatment 0.42 -0.0142 -0.68 0.428 -0.00532 -0.32 -0.7048 -0.9418 3118296 ChemDiv3_007049 CC1(C)OC[C@H](O1)[C@H](O)P(=O)(c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A10 compound treatment 0.429 -0.00519 -0.25 0.432 -0.00132 -0.08 -0.2312 -0.8898 3027683 ChemDiv3_007050 CC(C)N1CNC(=NC1)Nc2nc3ccccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A11 compound treatment 0.435 8.12E-4 0.04 0.426 -0.00732 -0.44 -0.2844 -0.6425 3118297 ChemDiv3_007051 CCOc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)N4C(C)CCCC4C)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A12 compound treatment 0.435 8.12E-4 0.04 0.444 0.0107 0.64 0.482 0.7484 3027684 ChemDiv3_007052 CC(C)CCN1C(=O)c2ccc(cc2C1=O)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A13 compound treatment 0.433 -0.00119 -0.06 0.433 -3.23E-4 -0.02 -0.0538 -0.8983 3118298 ChemDiv3_007053 CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A14 compound treatment 0.43 -0.00419 -0.2 0.437 0.00368 0.22 0.0154 0.0517 1748461 ChemDiv3_007054 CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc23)nc1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A15 compound treatment 0.429 -0.00519 -0.25 0.434 6.77E-4 0.04 -0.146 -0.5826 3027685 ChemDiv3_007055 COc1ccc(cc1)N2CCc3c2n4c5ccccc5nc4c(C#N)c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A16 compound treatment 0.434 -1.88E-4 -0.01 0.437 0.00368 0.22 0.1502 0.678 3118299 ChemDiv3_007056 O=C(CSc1nc2ccccc2nc1N3CCOCC3)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A17 compound treatment 0.42 -0.0142 -0.68 0.426 -0.00732 -0.44 -0.79 -0.9785 3027686 ChemDiv3_007057 Cn1c(=O)[nH]c(=O)c2n(CC=C)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A18 compound treatment 0.413 -0.0212 -1.01 0.418 -0.0153 -0.92 -1.3665 -0.999 3118300 ChemDiv3_007058 Oc1ccc2c(CSc3cccc4cccnc34)cc(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A19 compound treatment 0.427 -0.00719 -0.34 0.424 -0.00932 -0.56 -0.6392 -0.972 1612422 ChemDiv3_007059 Cc1cc(O)nc(SCc2cn3c(C)cc(C)nc3n2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A20 compound treatment 0.438 0.00381 0.18 0.426 -0.00732 -0.44 -0.1832 -0.3843 3027740 ChemDiv3_007060 CN(C)C1=NC(N=C(O1)c2ccccc2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A21 compound treatment 0.505 0.0708 3.38 0.515 0.0817 4.92 5.8643 0.9831 3118301 ChemDiv3_007061 S1C(C(=Nc2ccccc12)c3ccccc3)c4nc5ccccc5[nH]4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A22 compound treatment 0.42 -0.0142 -0.68 0.43 -0.00332 -0.2 -0.6197 -0.8786 3027741 ChemDiv3_007062 CN(C)C1=NC(c2c(C)nn(c2O1)c3ccccc3)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A23 mock treatment 0.425 -0.00919 -0.44 0.431 -0.00232 -0.14 -0.4086 -0.8887 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 A24 mock treatment 0.419 -0.0152 -0.72 0.413 -0.0203 -1.22 -1.3772 -0.9686 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B01 compound treatment 0.457 0.0228 1.09 0.475 0.0417 2.51 2.5434 0.93 1198210 ChemDiv3_007063 Oc1c(ccc2cccnc12)C(N3CCCC3)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B02 compound treatment 0.456 0.0218 1.04 0.452 0.0187 1.12 1.5304 0.9992 1284982 ChemDiv3_007064 OCCNC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B03 compound treatment 0.516 0.0818 3.9 0.503 0.0697 4.2 5.7242 0.9993 1247906 ChemDiv3_007065 CC(C)C(c1c(C)[nH]c2ccccc12)c3c(C)[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B04 compound treatment 0.451 0.0168 0.8 0.441 0.00768 0.46 0.8936 0.9658 3027742 ChemDiv3_007066 Cc1ccc(NC(=O)CSC(=N)N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B05 compound treatment 0.504 0.0698 3.33 0.505 0.0717 4.32 5.4049 0.9918 3118302 ChemDiv3_007067 COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc3ccc(O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B06 compound treatment 0.442 0.00781 0.37 0.438 0.00468 0.28 0.4625 0.9905 1627380 ChemDiv3_007068 CCN(CC)Cn1cnc2c(SC)ncnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B07 compound treatment 0.442 0.00781 0.37 0.44 0.00668 0.4 0.5476 0.9993 3118303 ChemDiv3_007069 CC1(C)C2(C)CCC1(C(=O)O)c3nc4ccc5ncccc5c4nc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B08 compound treatment 0.538 0.104 4.95 0.529 0.0957 5.76 7.5727 0.9971 3027743 ChemDiv3_007070 Clc1ccc(CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B09 compound treatment 0.46 0.0258 1.23 0.457 0.0237 1.43 1.8781 0.9973 3118304 ChemDiv3_007071 Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B10 compound treatment 0.456 0.0218 1.04 0.461 0.0277 1.67 1.9136 0.9742 1618272 ChemDiv3_007072 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3OC(C)(C)Oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B11 compound treatment 0.524 0.0898 4.28 0.538 0.105 6.3 7.484 0.9822 3027744 ChemDiv3_007073 Cc1ccc(cc1)S(=O)(=O)c2nc(c(NCc3ccco3)s2)S(=O)(=O)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B12 compound treatment 0.427 -0.00719 -0.34 0.424 -0.00932 -0.56 -0.6392 -0.972 3118305 ChemDiv3_007074 COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B13 compound treatment 0.456 0.0218 1.04 0.442 0.00868 0.52 1.1047 0.9493 3118306 ChemDiv3_007075 COc1ccc(cc1)C2C(=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c23)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B14 compound treatment 0.471 0.0368 1.75 0.457 0.0237 1.43 2.2489 0.9947 1516177 ChemDiv3_007076 O=C(NCc1ccc2OCOc2c1)c3ccc4c(=O)n(Cc5ccccc5)c(=S)[nH]c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B15 compound treatment 0.446 0.0118 0.56 0.446 0.0127 0.76 0.9379 0.9888 3118307 ChemDiv3_007077 CN(C)CCn1c(C)cc2OC(=C(C#N)C(c3ccncc3)c2c1=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B16 compound treatment 0.453 0.0188 0.9 0.444 0.0107 0.64 1.0887 0.9867 3027745 ChemDiv3_007078 CCOc1ccc(NC(=O)CCNC(=O)c2cn(c3cccc(OC)c3)c(=O)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B17 compound treatment 0.454 0.0198 0.94 0.46 0.0267 1.61 1.8036 0.968 3118308 ChemDiv3_007079 Fc1ccc(NP2(=O)COc3ccccc3OC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B18 compound treatment 0.463 0.0288 1.37 0.467 0.0337 2.03 2.405 0.982 3118309 ChemDiv3_007080 CC1(C)CC(=O)C2=C(C1)N(CCN3CCOCC3)C4=C(C2c5cccc(Cl)c5)C(=O)CC(C)(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B19 compound treatment 0.407 -0.0272 -1.3 0.409 -0.0243 -1.46 -1.952 -0.9981 3027746 ChemDiv3_007081 CC[n+]1c(/C=C/2\SC=CN2C)cc(C)c3cc(OC)c4ccccc4c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B20 compound treatment 0.455 0.0208 0.99 0.46 0.0267 1.61 1.8373 0.9732 3118310 ChemDiv3_007082 CCOC(=O)c1cnc2c(OC)cccc2c1N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B21 compound treatment 0.503 0.0688 3.28 0.508 0.0747 4.5 5.4989 0.988 3027747 ChemDiv3_007083 S(c1ccc(/C=N/c2cccc3ccccc23)o1)c4nnnn4c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B22 compound treatment 0.436 0.00181 0.09 0.437 0.00368 0.22 0.2177 0.9158 3118432 ChemDiv3_007084 CCOc1ccc2n(CC)/c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B23 mock treatment 0.446 0.0118 0.56 0.448 0.0147 0.88 1.0231 0.9763 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 B24 mock treatment 0.437 0.00281 0.13 0.431 -0.00232 -0.14 -0.0041 -0.0211 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C01 compound treatment 0.412 -0.0222 -1.06 0.424 -0.00932 -0.56 -1.1448 -0.9561 3027748 ChemDiv3_007085 FC(F)(F)c1cc(nc(OCC(=O)NCC=C)n1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C02 compound treatment 0.428 -0.00619 -0.29 0.429 -0.00432 -0.26 -0.3926 -0.9981 3118433 ChemDiv3_007086 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C03 compound treatment 0.42 -0.0142 -0.68 0.426 -0.00732 -0.44 -0.79 -0.9785 1788886 ChemDiv3_007087 CCOC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc4CC(CC)CCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C04 compound treatment 0.448 0.0138 0.66 0.447 0.0137 0.82 1.0479 0.9939 3027749 ChemDiv3_007088 OC(=O)CCC(=O)N(Cc1cn(nc1c2cccnc2)c3ccccc3)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C05 compound treatment 0.434 -1.88E-4 -0.01 0.426 -0.00732 -0.44 -0.3181 -0.7213 3118434 ChemDiv3_007089 COC(=O)CSC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C06 compound treatment 0.556 0.122 5.81 0.581 0.148 8.89 10.3933 0.9787 3027750 ChemDiv3_007090 Cc1ccc(cc1)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C07 compound treatment 0.481 0.0468 2.23 0.477 0.0437 2.63 3.4375 0.9967 3118435 ChemDiv3_007091 Oc1ccccc1C2NC(=O)C(=C(SCc3ccccc3)S2)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C08 compound treatment 0.436 0.00181 0.09 0.429 -0.00432 -0.26 -0.1229 -0.4483 3027751 ChemDiv3_007092 Cn1c2NCN(Cc2c(=O)n(C)c1=O)C3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C09 compound treatment 0.431 -0.00319 -0.15 0.425 -0.00832 -0.5 -0.4618 -0.8819 1528851 ChemDiv3_007093 CCOc1cccc2cc(c3nc4ccccc4s3)c(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C10 compound treatment 0.42 -0.0142 -0.68 0.428 -0.00532 -0.32 -0.7048 -0.9418 3118436 ChemDiv3_007094 C1NC(=NCN1C2CCCCCC2)Nc3nc4ccccc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C11 compound treatment 0.419 -0.0152 -0.72 0.417 -0.0163 -0.98 -1.2069 -0.9887 3027752 ChemDiv3_007095 CCN(CC)C(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C12 compound treatment 0.478 0.0438 2.09 0.477 0.0437 2.63 3.3364 0.9935 3118437 ChemDiv3_007096 CCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C13 compound treatment 0.513 0.0788 3.76 0.512 0.0787 4.74 6.0063 0.9934 3118438 ChemDiv3_007097 COc1ccc(cc1)N2C(=O)CC(C2=O)c3cn(Cc4ccccc4)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C14 compound treatment 0.421 -0.0132 -0.63 0.425 -0.00832 -0.5 -0.7989 -0.9937 3027753 ChemDiv3_007098 Nc1c(C#N)cnc2c(c(COc3ccccc3)nn12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C15 compound treatment 0.416 -0.0182 -0.87 0.423 -0.0103 -0.62 -1.0525 -0.9867 3027754 ChemDiv3_007099 CC1=NNC(=O)C1CCc2ccncc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C16 compound treatment 0.424 -0.0102 -0.49 0.424 -0.00932 -0.56 -0.7403 -0.9974 3118439 ChemDiv3_007100 O=C(CSc1nc2ccccc2nc1N3CCOCC3)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C17 compound treatment 0.423 -0.0112 -0.53 0.431 -0.00232 -0.14 -0.476 -0.8633 3027755 ChemDiv3_007101 CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C18 compound treatment 0.432 -0.00219 -0.1 0.429 -0.00432 -0.26 -0.2578 -0.9194 3118440 ChemDiv3_007102 CCCOc1ccc(cc1)/C(=N\O)/C(C)(C)NO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C19 compound treatment 0.414 -0.0202 -0.96 0.421 -0.0123 -0.74 -1.2051 -0.9917 3118441 ChemDiv3_007103 CCS(=O)(=O)Nc1cccc(c1)C(=O)CC2(O)C(=O)Nc3ccccc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C20 compound treatment 0.421 -0.0132 -0.63 0.422 -0.0113 -0.68 -0.9266 -0.9992 3026802 ChemDiv3_007104 CC1=CC2=NC(NC(=O)N2C=C1)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C21 compound treatment 0.414 -0.0202 -0.96 0.422 -0.0113 -0.68 -1.1625 -0.9857 3026803 ChemDiv3_007105 CCOc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C22 compound treatment 0.433 -0.00119 -0.06 0.43 -0.00332 -0.2 -0.1815 -0.8729 3118442 ChemDiv3_007106 CCC1=NC(C2=C(CC(C)(C)CC2=O)N1Cc3ccccc3)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C23 mock treatment 0.419 -0.0152 -0.72 0.41 -0.0233 -1.4 -1.5049 -0.9525 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 C24 mock treatment 0.421 -0.0132 -0.63 0.421 -0.0123 -0.74 -0.9692 -0.9966 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D01 compound treatment 0.42 -0.0142 -0.68 0.425 -0.00832 -0.5 -0.8326 -0.9891 1621903 ChemDiv3_007107 CN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D02 compound treatment 0.479 0.0448 2.14 0.492 0.0587 3.53 4.0087 0.971 3026804 ChemDiv3_007108 Cc1ccsc1/C=N/c2ccc(Cl)cc2C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D03 compound treatment 0.529 0.0948 4.52 0.527 0.0937 5.64 7.1842 0.994 1681432 ChemDiv3_007109 Cc1ccc(cc1)C(=O)OC(c2ccccc2)c3nccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D04 compound treatment 0.429 -0.00519 -0.25 0.44 0.00668 0.4 0.1094 0.2318 1346036 ChemDiv3_007110 CCOc1nc(NC2CCCC2)nc(n1)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D05 compound treatment 0.439 0.00481 0.23 0.448 0.0147 0.88 0.7871 0.8621 3118443 ChemDiv3_007111 Cc1sc2N(CN(Cc2c1C)C(C)(C)C)C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D06 compound treatment 0.431 -0.00319 -0.15 0.43 -0.00332 -0.2 -0.2489 -0.9908 1643537 ChemDiv3_007112 CCOC(=O)N1N=C(C)CC1(O)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D07 compound treatment 0.445 0.0108 0.52 0.445 0.0117 0.7 0.8616 0.9883 3118444 ChemDiv3_007113 O(c1ccc2nccnc2c1)c3ccc4nccnc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D08 compound treatment 0.757 0.323 15.39 0.763 0.33 19.85 24.9172 0.9921 3026805 ChemDiv3_007114 CN(C)c1ccc(cc1)c2nc(S)[nH]c(=O)c2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D09 compound treatment 0.444 0.00981 0.47 0.436 0.00268 0.16 0.4447 0.8989 3118445 ChemDiv3_007115 CN1CCN(CC1)C(=O)c2oc3CC(C)(C)CC(=O)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D10 compound treatment 0.434 -1.88E-4 -0.01 0.438 0.00468 0.28 0.1928 0.6843 1345726 ChemDiv3_007116 CC(C)(C)N1NC2(CCCCC2)NC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D11 compound treatment 0.547 0.113 5.38 0.558 0.125 7.51 9.1108 0.9866 1384630 ChemDiv3_007117 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCOCC2)c3ccc(O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D12 compound treatment 0.436 0.00181 0.09 0.443 0.00968 0.58 0.4731 0.8032 3118446 ChemDiv3_007118 Cc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D13 compound treatment 0.448 0.0138 0.66 0.44 0.00668 0.4 0.7499 0.972 1444379 ChemDiv3_007119 COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D14 compound treatment 0.432 -0.00219 -0.1 0.449 0.0157 0.94 0.5937 0.6252 1441733 ChemDiv3_007120 COc1ccc(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D15 compound treatment 0.434 -1.88E-4 -0.01 0.439 0.00568 0.34 0.2354 0.6884 3026806 ChemDiv3_007121 COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D16 compound treatment 0.438 0.00381 0.18 0.445 0.0117 0.7 0.6257 0.8616 3118447 ChemDiv3_007122 COc1ccccc1n2cc(C(=O)NCC(=O)NCC3COc4ccccc4O3)c5ccccc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D17 compound treatment 0.437 0.00281 0.13 0.45 0.0167 1.0 0.8048 0.7945 3026807 ChemDiv3_007123 Clc1ccc(cc1)N2CCN(CC2)P3(=O)COc4ccccc4OC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D18 compound treatment 0.459 0.0248 1.18 0.462 0.0287 1.73 2.0573 0.983 3118448 ChemDiv3_007124 Nc1cc(OC(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D19 compound treatment 0.426 -0.00819 -0.39 0.428 -0.00532 -0.32 -0.5026 -0.9952 3026808 ChemDiv3_007125 COc1ccc2N(C)/C(=C/c3sc4ccccc4[n+]3C)/C=Cc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D20 compound treatment 0.335 -0.0992 -4.73 0.335 -0.0983 -5.92 -7.5294 -0.9938 3118449 ChemDiv3_007126 CCOC(=O)c1cnc2ccc(OCC)cc2c1NC(C)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D21 compound treatment 0.429 -0.00519 -0.25 0.438 0.00468 0.28 0.0243 0.0648 1344877 ChemDiv3_007127 O=C(C1CN(C(=O)C1)c2ccccc2)N(Cc3ccccc3)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D22 compound treatment 0.458 0.0238 1.14 0.447 0.0137 0.82 1.385 0.9876 3026809 ChemDiv3_007128 CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)/sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D23 mock treatment 0.432 -0.00219 -0.1 0.432 -0.00132 -0.08 -0.13 -0.9911 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 D24 mock treatment 0.427 -0.00719 -0.34 0.428 -0.00532 -0.32 -0.4689 -0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E01 compound treatment 0.474 0.0398 1.9 0.48 0.0467 2.81 3.3293 0.9817 3118450 ChemDiv3_007129 CC1CCN(C(C)C1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E02 compound treatment 0.444 0.00981 0.47 0.449 0.0157 0.94 0.9982 0.9475 3026810 ChemDiv3_007130 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E03 compound treatment 0.444 0.00981 0.47 0.436 0.00268 0.16 0.4447 0.8989 3118451 ChemDiv3_007131 CN(C1CCCCC1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E04 compound treatment 0.452 0.0178 0.85 0.449 0.0157 0.94 1.2679 0.9986 3118452 ChemDiv3_007132 CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c3CCCCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E05 compound treatment 0.454 0.0198 0.94 0.452 0.0187 1.12 1.463 0.9962 3026811 ChemDiv3_007133 CCSC1=C(C#N)C(=O)NC(S1)/C=C/c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E06 compound treatment 0.437 0.00281 0.13 0.441 0.00768 0.46 0.4217 0.8761 3118573 ChemDiv3_007134 OC(=O)c1ccn(Cn2cnc3ccccc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E07 compound treatment 0.447 0.0128 0.61 0.453 0.0197 1.18 1.2696 0.9525 3026812 ChemDiv3_007135 CC1NC(=O)C(=C(SCc2ccccc2)S1)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E08 compound treatment 0.454 0.0198 0.94 0.446 0.0127 0.76 1.2076 0.9944 3118574 ChemDiv3_007136 Clc1cccc(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E09 compound treatment 0.439 0.00481 0.23 0.44 0.00668 0.4 0.4465 0.9646 3118575 ChemDiv3_007137 COc1ccc(cc1Cl)C2Nn3c(C)nnc3SC2C(=O)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E10 compound treatment 0.444 0.00981 0.47 0.443 0.00968 0.58 0.7428 0.9941 3026813 ChemDiv3_007138 Clc1ccc(SCc2cc(=O)[nH]c(n2)N3CCN(Cc4ccc5OCOc5c4)CC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E11 compound treatment 0.429 -0.00519 -0.25 0.445 0.0117 0.7 0.3223 0.4324 3118576 ChemDiv3_007139 Cc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCC4CCCO4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E12 compound treatment 0.442 0.00781 0.37 0.446 0.0127 0.76 0.8031 0.9456 3026814 ChemDiv3_007140 CCOC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E13 compound treatment 0.439 0.00481 0.23 0.437 0.00368 0.22 0.3188 0.9998 3118577 ChemDiv3_007141 CC(C)CN1CC(CC1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E14 compound treatment 0.433 -0.00119 -0.06 0.444 0.0107 0.64 0.4146 0.6424 3026815 ChemDiv3_007142 Clc1ccc2OCC(=O)N(CC(=O)N3CCCC3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E15 compound treatment 0.436 0.00181 0.09 0.435 0.00168 0.1 0.1325 0.997 1116771 ChemDiv3_007143 OC(=O)Cc1nc2ccccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E16 compound treatment 0.476 0.0418 1.99 0.487 0.0537 3.23 3.6947 0.973 3118578 ChemDiv3_007144 Clc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E17 compound treatment 0.434 -1.88E-4 -0.01 0.448 0.0147 0.88 0.6186 0.6999 1549546 ChemDiv3_007145 Cn1c(NCc2ccco2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E18 compound treatment 0.46 0.0258 1.23 0.465 0.0317 1.91 2.2187 0.9775 3118579 ChemDiv3_007146 Cc1ccc2c(C)nc(NC(=N)NS(=O)(=O)c3ccccc3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E19 compound treatment 0.427 -0.00719 -0.34 0.43 -0.00332 -0.2 -0.3837 -0.9672 3026816 ChemDiv3_007147 COc1ccc(NC(=O)C(C)C2SC(=O)NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E20 compound treatment 0.443 0.00881 0.42 0.457 0.0237 1.43 1.3051 0.8781 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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E21 compound treatment 0.433 -0.00119 -0.06 0.441 0.00768 0.46 0.2868 0.6159 3026817 ChemDiv3_007149 CCC1=C(C(c2ccc(Br)cc2)n3ncnc3N1)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E22 compound treatment 0.459 0.0248 1.18 0.457 0.0237 1.43 1.8444 0.9957 3118581 ChemDiv3_007150 CC1(C)CC(=O)C2=C(C1)N(Cc3ccco3)C(=O)NC2(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E23 mock treatment 0.436 0.00181 0.09 0.428 -0.00532 -0.32 -0.1655 -0.4987 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 E24 mock treatment 0.438 0.00381 0.18 0.438 0.00468 0.28 0.3277 0.9775 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F01 compound treatment 0.602 0.168 8.0 0.596 0.163 9.79 12.5825 0.9949 1293985 ChemDiv3_007151 Oc1c(ccc2cccnc12)C(Nc3cccc(Cl)c3)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F02 compound treatment 0.473 0.0388 1.85 0.479 0.0457 2.75 3.253 0.9814 3118582 ChemDiv3_007152 CC(NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F03 compound treatment 0.446 0.0118 0.56 0.451 0.0177 1.06 1.1508 0.9557 1225945 ChemDiv3_007153 OC1(CCN(CC1C(=O)c2ccccc2)C3CCS(=O)(=O)C3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F04 compound treatment 0.454 0.0198 0.94 0.454 0.0207 1.24 1.5482 0.9907 3118583 ChemDiv3_007154 O=C(CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F05 compound treatment 0.449 0.0148 0.71 0.452 0.0187 1.12 1.2945 0.9749 3026871 ChemDiv3_007155 CCN(CC)CCN1CN(C(=O)c2ccccc2)c3sc(C)c(C)c3C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F06 compound treatment 0.52 0.0858 4.09 0.509 0.0757 4.56 6.1145 0.9986 3118584 ChemDiv3_007156 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cccs3)/C(=O)N(C2=S)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F07 compound treatment 0.453 0.0188 0.9 0.456 0.0227 1.37 1.5996 0.9792 1868012 ChemDiv3_007157 CNC(=O)Cc1coc2ccc3ccccc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F08 compound treatment 0.456 0.0218 1.04 0.449 0.0157 0.94 1.4027 0.9988 3118585 ChemDiv3_007158 O=C(CSc1ncccn1)Nc2nccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F09 compound treatment 0.431 -0.00319 -0.15 0.456 0.0227 1.37 0.858 0.6246 3026872 ChemDiv3_007159 Cc1ccc2cc3CCN(Cc4ccco4)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F10 compound treatment 0.545 0.111 5.28 0.528 0.0947 5.7 7.7661 0.9993 3118586 ChemDiv3_007160 CCOc1cccc(NC(=O)C2CC(=O)N(/N=C(\C)/c3ccc(Br)s3)C(=N)S2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F11 compound treatment 0.409 -0.0252 -1.2 0.418 -0.0153 -0.92 -1.5014 -0.9915 3118587 ChemDiv3_007161 CCOC(=O)c1ccc2nc(nc(NCCCc3ccccc3)c2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F12 compound treatment 0.453 0.0188 0.9 0.452 0.0187 1.12 1.4293 0.9937 1635368 ChemDiv3_007162 O=C(NCc1ccccc1)c2ccc3c(=O)n(CCc4ccccc4)c(SCC#N)nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F13 compound treatment 0.452 0.0178 0.85 0.452 0.0187 1.12 1.3956 0.9904 3118588 ChemDiv3_007163 Cc1cc2OC(=C(C#N)C(c3cccc(F)c3)c2c(=O)n1CCN4CCOCC4)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F14 compound treatment 0.498 0.0638 3.04 0.509 0.0757 4.56 5.3729 0.9807 1650732 ChemDiv3_007164 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NCc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F15 compound treatment 0.448 0.0138 0.66 0.452 0.0187 1.12 1.2608 0.9675 3026873 ChemDiv3_007165 CC(C)c1ccc(cc1)C2C(=C(N)Oc3cc(C)[nH]c(=O)c23)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F16 compound treatment 0.446 0.0118 0.56 0.453 0.0197 1.18 1.2359 0.9422 1236286 ChemDiv3_007166 O=C(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F17 compound treatment 0.453 0.0188 0.9 0.459 0.0257 1.55 1.7273 0.9664 3026874 ChemDiv3_007167 O=P1(COc2ccccc2OC1)Nc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F18 compound treatment 0.452 0.0178 0.85 0.461 0.0277 1.67 1.7788 0.9511 3026875 ChemDiv3_007168 COc1ccc(cc1)S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F19 compound treatment 0.45 0.0158 0.75 0.452 0.0187 1.12 1.3282 0.9811 3118589 ChemDiv3_007169 COc1cccc(c1)C(=O)NC(NCC2CCCO2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F20 compound treatment 0.391 -0.0432 -2.06 0.393 -0.0403 -2.43 -3.1725 -0.9966 1723594 ChemDiv3_007170 CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F21 compound treatment 0.44 0.00581 0.28 0.446 0.0127 0.76 0.7357 0.9059 1579177 ChemDiv3_007171 OP(=O)(CN1CCCCC1)CN2CCCCCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F22 compound treatment 0.445 0.0108 0.52 0.441 0.00768 0.46 0.6913 0.9985 3118590 ChemDiv3_007172 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)/N=c\3/sc4cccc(Cl)c4n3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F23 mock treatment 0.444 0.00981 0.47 0.436 0.00268 0.16 0.4447 0.8989 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 F24 mock treatment 0.436 0.00181 0.09 0.443 0.00968 0.58 0.4731 0.8032 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G01 compound treatment 0.45 0.0158 0.75 0.451 0.0177 1.06 1.2856 0.9857 3026876 ChemDiv3_007173 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCCCCC3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G02 compound treatment 0.44 0.00581 0.28 0.443 0.00968 0.58 0.6079 0.9422 3118591 ChemDiv3_007174 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G03 compound treatment 0.429 -0.00519 -0.25 0.435 0.00168 0.1 -0.1034 -0.3873 3026877 ChemDiv3_007175 CSc1ccccc1NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G04 compound treatment 0.446 0.0118 0.56 0.438 0.00468 0.28 0.5973 0.9487 3118592 ChemDiv3_007176 CC1(C)CC(CCO1)N(Cc2cccs2)C(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G05 compound treatment 0.436 0.00181 0.09 0.446 0.0127 0.76 0.6008 0.7822 3118593 ChemDiv3_007177 CCSC1=C(C#N)C(=O)NC(S1)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G06 compound treatment 0.485 0.0508 2.42 0.494 0.0607 3.65 4.2961 0.9801 3026878 ChemDiv3_007178 OC(=O)/C=C/c1ccc2c(onc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G07 compound treatment 0.441 0.00681 0.32 0.442 0.00868 0.52 0.5991 0.9738 3118594 ChemDiv3_007179 Cc1csc2nc(=O)c(nn12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G08 compound treatment 0.446 0.0118 0.56 0.437 0.00368 0.22 0.5547 0.9168 3026879 ChemDiv3_007180 CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G09 compound treatment 0.486 0.0518 2.47 0.505 0.0717 4.32 4.7981 0.9649 3118595 ChemDiv3_007181 Cc1cccc(NC(=O)C2Sc3nnc(c4ccccc4)n3NC2c5ccccc5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G10 compound treatment 0.436 0.00181 0.09 0.445 0.0117 0.7 0.5583 0.7881 3118596 ChemDiv3_007182 CCC(=O)N1CCNC(=O)C1CC(=O)Nc2ccc(C)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G11 compound treatment 0.429 -0.00519 -0.25 0.435 0.00168 0.1 -0.1034 -0.3873 1170868 ChemDiv3_007183 Cn1c(=O)c(Nc2ccccc2)c3-c4ccccc4C(=O)c5cccc1c53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G12 compound treatment 0.452 0.0178 0.85 0.463 0.0297 1.79 1.8639 0.9422 3026880 ChemDiv3_007184 CCc1nnc2sc(nn12)c3ccc(N)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G13 compound treatment 0.465 0.0308 1.47 0.457 0.0237 1.43 2.0467 0.9999 3118721 ChemDiv3_007185 CC(C)(CO)C1(CC2CC3CC(C2)C1)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G14 compound treatment 0.434 -1.88E-4 -0.01 0.437 0.00368 0.22 0.1502 0.678 3118722 ChemDiv3_007186 Cn1cccc1CNCCc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G15 compound treatment 0.376 -0.0582 -2.77 0.372 -0.0613 -3.69 -4.5722 -0.9901 3026881 ChemDiv3_007187 Oc1cccnc1NC(=O)CCC2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G16 compound treatment 0.439 0.00481 0.23 0.438 0.00468 0.28 0.3614 0.9948 3118723 ChemDiv3_007188 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCc4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G17 compound treatment 0.467 0.0328 1.56 0.466 0.0327 1.97 2.4973 0.9935 3118724 ChemDiv3_007189 Cc1ccc(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G18 compound treatment 0.443 0.00881 0.42 0.443 0.00968 0.58 0.7091 0.9871 3026882 ChemDiv3_007190 CCOC(=O)c1cnc(Nc2nc3ccccc3s2)nc1CSc4ncccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G19 compound treatment 0.437 0.00281 0.13 0.43 -0.00332 -0.2 -0.0467 -0.1937 3118725 ChemDiv3_007191 CC(C1SC(=O)NC1=O)C(=O)Nc2nccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G20 compound treatment 0.443 0.00881 0.42 0.45 0.0167 1.0 1.0071 0.9252 3026883 ChemDiv3_007192 FC(F)(F)C1(N=C(NC(=N1)c2ccccc2)c3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G21 compound treatment 0.426 -0.00819 -0.39 0.431 -0.00232 -0.14 -0.3749 -0.9042 3026933 ChemDiv3_007193 NC(=O)c1cc(C(=O)Nc2ccccc2)c(N)nc1SCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G22 compound treatment 0.393 -0.0412 -1.96 0.404 -0.0293 -1.77 -2.6367 -0.9986 3118726 ChemDiv3_007194 CC1=C(C#N)C(N=C(N1)C2CCCCC2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G23 mock treatment 0.426 -0.00819 -0.39 0.431 -0.00232 -0.14 -0.3749 -0.9042 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 G24 mock treatment 0.423 -0.0112 -0.53 0.434 6.77E-4 0.04 -0.3483 -0.6511 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H01 compound treatment 0.468 0.0338 1.61 0.456 0.0227 1.37 2.1052 0.9966 1322971 ChemDiv3_007195 CC(C)c1ccc(cc1)C(Nc2nccs2)c3c(C)[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H02 compound treatment 0.426 -0.00819 -0.39 0.438 0.00468 0.28 -0.0768 -0.1597 3118727 ChemDiv3_007196 Cc1ccc(cc1)N(CC(=O)NCc2ccco2)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H03 compound treatment 0.478 0.0438 2.09 0.478 0.0447 2.69 3.3789 0.9922 1679882 ChemDiv3_007197 Cc1[nH]c2ccccc2c1C(O)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H04 compound treatment 0.428 -0.00619 -0.29 0.429 -0.00432 -0.26 -0.3926 -0.9981 3118728 ChemDiv3_007198 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)NC3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H05 compound treatment 0.431 -0.00319 -0.15 0.443 0.00968 0.58 0.3046 0.5058 3118729 ChemDiv3_007199 Cc1sc2N(CN(Cc3ccco3)Cc2c1C)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H06 compound treatment 0.427 -0.00719 -0.34 0.434 6.77E-4 0.04 -0.2134 -0.6186 3026934 ChemDiv3_007200 CCN1C(=O)/C(=C\C=C\2/Sc3ccc(Cl)cc3N2C)/SC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H07 compound treatment 0.442 0.00781 0.37 0.447 0.0137 0.82 0.8457 0.9357 3118730 ChemDiv3_007201 Cc1ccc2cc3CCN(c3nc2c1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H08 compound treatment 0.43 -0.00419 -0.2 0.439 0.00568 0.34 0.1006 0.254 1574479 ChemDiv3_007202 O=C(CCSc1ccccc1)NC2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H09 compound treatment 0.501 0.0668 3.18 0.486 0.0527 3.17 4.4948 1.0 3118731 ChemDiv3_007203 Cc1ccc2cc3CCN(c3nc2c1)c4ccc(cc4)C(=O)NCc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H10 compound treatment 0.438 0.00381 0.18 0.443 0.00968 0.58 0.5405 0.8856 1738369 ChemDiv3_007204 CCC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H11 compound treatment 0.428 -0.00619 -0.29 0.425 -0.00832 -0.5 -0.5629 -0.9681 3026935 ChemDiv3_007205 CCOC(=O)c1ccc2nc(nc(N3CC(C)OC(C)C3)c2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H12 compound treatment 0.429 -0.00519 -0.25 0.433 -3.23E-4 -0.02 -0.1886 -0.7603 1558178 ChemDiv3_007206 CCCCn1c(SCC(=O)OCC)nc2n(CCc3ccccc3)c(=S)sc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H13 compound treatment 0.461 0.0268 1.28 0.455 0.0217 1.31 1.8267 0.9999 3118732 ChemDiv3_007207 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1CCCn4ccnc4)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H14 compound treatment 0.427 -0.00719 -0.34 0.434 6.77E-4 0.04 -0.2134 -0.6186 1230528 ChemDiv3_007208 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)Nc4ccc(C)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H15 compound treatment 0.457 0.0228 1.09 0.462 0.0287 1.73 1.9899 0.9752 3118733 ChemDiv3_007209 N(c1ccccc1)c2ccc(nn2)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H16 compound treatment 0.45 0.0158 0.75 0.453 0.0197 1.18 1.3708 0.9762 3026936 ChemDiv3_007210 CC(C)c1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H17 compound treatment 0.447 0.0128 0.61 0.445 0.0117 0.7 0.929 0.9975 3118734 ChemDiv3_007211 CC(C)c1ccc(C)c(OP2(=O)COc3ccccc3OC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H18 compound treatment 0.476 0.0418 1.99 0.472 0.0387 2.33 3.0561 0.997 3026937 ChemDiv3_007212 CCOC(=O)c1cnc2cc(ccc2c1N(C)Cc3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H19 compound treatment 0.519 0.0848 4.04 0.519 0.0857 5.16 6.5065 0.9927 3118735 ChemDiv3_007213 Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H20 compound treatment 0.449 0.0148 0.71 0.442 0.00868 0.52 0.8687 0.989 3118736 ChemDiv3_007214 CCOC(=O)c1cnc2ccc(OCC)cc2c1N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H21 compound treatment 0.466 0.0318 1.52 0.471 0.0377 2.27 2.6764 0.9808 3026938 ChemDiv3_007215 Cc1ccccc1/N=C/c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H22 compound treatment 0.429 -0.00519 -0.25 0.429 -0.00432 -0.26 -0.3589 -0.9997 3118737 ChemDiv3_007216 CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)/sc4c1ccc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H23 mock treatment 0.432 -0.00219 -0.1 0.437 0.00368 0.22 0.0828 0.3384 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 H24 mock treatment 0.425 -0.00919 -0.44 0.427 -0.00632 -0.38 -0.5789 -0.9976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I01 compound treatment 0.431 -0.00319 -0.15 0.442 0.00868 0.52 0.262 0.4815 3026939 ChemDiv3_007217 COc1ccc(cc1OC)c2cc(nc(SCC(=O)N3CCc4ccccc34)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I02 compound treatment 0.472 0.0378 1.8 0.476 0.0427 2.57 3.0916 0.985 3118738 ChemDiv3_007218 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)NCCCn4ccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I03 compound treatment 0.466 0.0318 1.52 0.459 0.0257 1.55 2.1655 1.0 3026940 ChemDiv3_007219 Cc1cc(nc(SCc2ccc(o2)C(=O)O)n1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I04 compound treatment 0.434 -1.88E-4 -0.01 0.436 0.00268 0.16 0.1077 0.6669 3118739 ChemDiv3_007220 COc1ccc(Br)cc1C(=O)N2Cc3cc(OC)c(OC)cc3C4(CCCC4)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I05 compound treatment 0.44 0.00581 0.28 0.446 0.0127 0.76 0.7357 0.9059 3026941 ChemDiv3_007221 CCSC1=C(C#N)C(=O)NC(S1)c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I06 compound treatment 0.565 0.131 6.24 0.561 0.128 7.69 9.8452 0.9946 3118740 ChemDiv3_007222 Clc1ccc(cc1)c2onc3cc(ccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I07 compound treatment 0.891 0.457 21.78 0.874 0.441 26.53 34.1598 0.9952 3026942 ChemDiv3_007223 O=C/1Nc2ccccc2\C1=C\C=C\c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I08 compound treatment 0.446 0.0118 0.56 0.441 0.00768 0.46 0.725 0.9952 3118741 ChemDiv3_007224 CCCn1c2ccc(C)cc2c3nnc(SCCN4CCOCC4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I09 compound treatment 0.433 -0.00119 -0.06 0.429 -0.00432 -0.26 -0.2241 -0.8412 3118742 ChemDiv3_007225 O=C(C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I10 compound treatment 0.458 0.0238 1.14 0.442 0.00868 0.52 1.1721 0.938 3026943 ChemDiv3_007226 CCC(=O)N1C(CC(=O)Nc2ccc(F)cc2)C(=O)NC3CCCCC31 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I11 compound treatment 0.581 0.147 7.0 0.543 0.11 6.6 9.6182 0.9996 1866671 ChemDiv3_007227 O=C1c2ccccc2-c3c(NCCc4ccccc4)c(=O)[nH]c5cccc1c35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I12 compound treatment 0.444 0.00981 0.47 0.454 0.0207 1.24 1.2111 0.9106 3118743 ChemDiv3_007228 COC(=O)C1=C(C)OC(=C(C#N)C1c2cc(C)cc(Cn3ccc(n3)C(F)(F)F)c2C)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I13 compound treatment 0.445 0.0108 0.52 0.445 0.0117 0.7 0.8616 0.9883 3026944 ChemDiv3_007229 Nc1cccc(c1)c2ccc(CO)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I14 compound treatment 0.479 0.0448 2.14 0.486 0.0527 3.17 3.7533 0.9815 3118744 ChemDiv3_007230 COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N4CCCC4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I15 compound treatment 0.421 -0.0132 -0.63 0.43 -0.00332 -0.2 -0.586 -0.8882 3026945 ChemDiv3_007231 NS(=O)(=O)c1ccc(NC(=O)CCC2COc3ccccc3O2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I16 compound treatment 0.428 -0.00619 -0.29 0.434 6.77E-4 0.04 -0.1797 -0.6036 1398603 ChemDiv3_007232 Nc1nonc1N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I17 compound treatment 0.441 0.00681 0.32 0.438 0.00468 0.28 0.4288 0.9975 3118745 ChemDiv3_007233 COc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I18 compound treatment 0.444 0.00981 0.47 0.442 0.00868 0.52 0.7002 0.9985 3026838 ChemDiv3_007234 CC1CC(=O)c2cnc(nc2C1)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I19 compound treatment 0.431 -0.00319 -0.15 0.444 0.0107 0.64 0.3471 0.5255 3118881 ChemDiv3_007235 COC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)c3cccs3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I20 compound treatment 0.438 0.00381 0.18 0.436 0.00268 0.16 0.2425 0.9982 3026840 ChemDiv3_007236 NC1=C(C#N)C(N=C2SCCN21)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I21 compound treatment 0.439 0.00481 0.23 0.437 0.00368 0.22 0.3188 0.9998 3118882 ChemDiv3_007237 CCc1cc(C(N2CCN(CCO)CC2)c3ccc(Cl)cc3)c(NC(=O)c4ccccc4)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I22 compound treatment 0.434 -1.88E-4 -0.01 0.448 0.0147 0.88 0.6186 0.6999 3026842 ChemDiv3_007238 CCCCN1C(=NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I23 mock treatment 0.433 -0.00119 -0.06 0.434 6.77E-4 0.04 -0.0112 -0.1603 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 I24 mock treatment 0.445 0.0108 0.52 0.432 -0.00132 -0.08 0.3082 0.5909 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J01 compound treatment 0.463 0.0288 1.37 0.486 0.0527 3.17 3.2139 0.9299 3026843 ChemDiv3_007239 Oc1ccc(CNc2cccc(c2)C(F)(F)F)c3cccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J02 compound treatment 0.434 -1.88E-4 -0.01 0.439 0.00568 0.34 0.2354 0.6884 3118883 ChemDiv3_007240 Oc1ccc(Cl)cc1/C=N/c2ccc3nc(SCC=C)sc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J03 compound treatment 0.432 -0.00219 -0.1 0.427 -0.00632 -0.38 -0.3429 -0.8688 1273454 ChemDiv3_007241 COc1ccc(cc1)C(N2CCOCC2)c3ccc4cccnc4c3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J04 compound treatment 0.454 0.0198 0.94 0.463 0.0297 1.79 1.9313 0.9556 3026846 ChemDiv3_007242 O=C1CCCC(=O)C1=CNc2cccc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J05 compound treatment 0.433 -0.00119 -0.06 0.434 6.77E-4 0.04 -0.0112 -0.1603 3118884 ChemDiv3_007243 Cc1cccc(C)c1OCc2nnc(CCc3ccccc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J06 compound treatment 0.431 -0.00319 -0.15 0.441 0.00768 0.46 0.2194 0.4509 1651075 ChemDiv3_007244 O=C1N(N=C2CCCCCC2)C(Nc3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J07 compound treatment 0.476 0.0418 1.99 0.48 0.0467 2.81 3.3967 0.9858 3118885 ChemDiv3_007245 FC(F)(F)c1c(C#N)c(SCc2ccccc2Cl)nc3-c4ccoc4CCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J08 compound treatment 0.434 -1.88E-4 -0.01 0.435 0.00168 0.1 0.0651 0.642 1275637 ChemDiv3_007246 Fc1ccccc1C(=O)NCC(=O)NCc2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J09 compound treatment 0.434 -1.88E-4 -0.01 0.434 6.77E-4 0.04 0.0225 0.5394 3026850 ChemDiv3_007247 CC12CNC3(CO)CC2CCC13C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J10 compound treatment 0.422 -0.0122 -0.58 0.434 6.77E-4 0.04 -0.382 -0.6559 3118886 ChemDiv3_007248 O=C(CSc1nnc(c2cccnc2)n1c3ccccc3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J11 compound treatment 0.427 -0.00719 -0.34 0.433 -3.23E-4 -0.02 -0.256 -0.746 3026852 ChemDiv3_007249 CCOC(=O)c1ccc2nc(nc(N3CCCCC3)c2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J12 compound treatment 0.469 0.0348 1.66 0.462 0.0287 1.73 2.3944 0.9998 1632505 ChemDiv3_007250 COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J13 compound treatment 0.43 -0.00419 -0.2 0.442 0.00868 0.52 0.2283 0.4082 3118887 ChemDiv3_007251 Cc1cc2OC(=C(C#N)C(c3cccs3)c2c(=O)n1CC4CCCO4)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J14 compound treatment 0.426 -0.00819 -0.39 0.431 -0.00232 -0.14 -0.3749 -0.9042 1147245 ChemDiv3_007252 COc1ccc(OC)c(c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCC(CC4)C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J15 compound treatment 0.396 -0.0382 -1.82 0.396 -0.0373 -2.25 -2.8762 -0.9945 3026904 ChemDiv3_007253 Oc1ccc(Nc2nc(N3CCOCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J16 compound treatment 0.444 0.00981 0.47 0.444 0.0107 0.64 0.7853 0.9878 3118888 ChemDiv3_007254 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCNC(=O)Cn3cnc4sc5CCCCc5c4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J17 compound treatment 0.435 8.12E-4 0.04 0.439 0.00568 0.34 0.2691 0.7822 3026906 ChemDiv3_007255 COC(=O)c1ccc(OP2(=O)COc3ccccc3OC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J18 compound treatment 0.434 -1.88E-4 -0.01 0.431 -0.00232 -0.14 -0.1052 -0.7508 3026908 ChemDiv3_007256 CCOC(=O)c1cnc2cc(ccc2c1N3CCCCCC3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J19 compound treatment 0.493 0.0588 2.8 0.488 0.0547 3.29 4.3103 0.9968 3118889 ChemDiv3_007257 Oc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J20 compound treatment 0.432 -0.00219 -0.1 0.43 -0.00332 -0.2 -0.2152 -0.9539 1384020 ChemDiv3_007258 O=C(N(C1CCCCC1)c2ccccc2)c3cnc4SCCn4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J21 compound treatment 0.43 -0.00419 -0.2 0.438 0.00468 0.28 0.058 0.168 3026911 ChemDiv3_007259 CSc1nc(=O)c(Cc2ccccc2)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J22 compound treatment 0.509 0.0748 3.57 0.505 0.0717 4.32 5.5734 0.9955 1518725 ChemDiv3_007260 COc1ccc(cc1)C(=O)NCCn2cc(SC(C)c3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J23 mock treatment 0.432 -0.00219 -0.1 0.433 -3.23E-4 -0.02 -0.0875 -0.8246 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 J24 mock treatment 0.433 -0.00119 -0.06 0.433 -3.23E-4 -0.02 -0.0538 -0.8983 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K01 compound treatment 0.43 -0.00419 -0.2 0.442 0.00868 0.52 0.2283 0.4082 1788828 ChemDiv3_007261 O=C(N1CCc2ccccc2C1)c3nc4ncccn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K02 compound treatment 0.441 0.00681 0.32 0.446 0.0127 0.76 0.7694 0.9275 3118890 ChemDiv3_007262 CC(=O)Oc1cc2c(C(=O)N3CCCC3)c(C)oc2c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K03 compound treatment 0.426 -0.00819 -0.39 0.434 6.77E-4 0.04 -0.2471 -0.6298 3026914 ChemDiv3_007263 CCOC(=O)c1cnn2c(cc(C)nc12)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K04 compound treatment 0.439 0.00481 0.23 0.445 0.0117 0.7 0.6594 0.8916 3118891 ChemDiv3_007264 Nc1ccc2[nH]c(CCC(=O)O)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K05 compound treatment 0.436 0.00181 0.09 0.448 0.0147 0.88 0.686 0.7726 1026774 ChemDiv3_007265 COc1ccc(cc1)[n+]2cc(O)on2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K06 compound treatment 0.464 0.0298 1.42 0.466 0.0327 1.97 2.3961 0.9873 3118892 ChemDiv3_007266 Cc1cc2C(=O)C(=C(C(=O)c2cc1C)c3ccccc3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K07 compound treatment 0.56 0.126 6.0 0.561 0.128 7.69 9.6767 0.9925 3026917 ChemDiv3_007267 CCc1cccc2c(c[nH]c12)C(C(=O)c3ccccc3)c4c[nH]c5c(CC)cccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K08 compound treatment 0.441 0.00681 0.32 0.45 0.0167 1.0 0.9397 0.8904 3118893 ChemDiv3_007268 OCC1CCCN1CC2CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K09 compound treatment 0.441 0.00681 0.32 0.446 0.0127 0.76 0.7694 0.9275 3118894 ChemDiv3_007269 CC(C)CNC(=O)C1Sc2nnc(c3ccccc3)n2NC1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K10 compound treatment 0.451 0.0168 0.8 0.442 0.00868 0.52 0.9361 0.9785 3026967 ChemDiv3_007270 Cn1c(=O)n(C)c2nc(ncc2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K11 compound treatment 0.506 0.0718 3.42 0.502 0.0687 4.14 5.3446 0.9956 1131768 ChemDiv3_007271 CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c5cccc([nH]c2=O)c53)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K12 compound treatment 0.516 0.0818 3.9 0.517 0.0837 5.04 6.3203 0.992 3026969 ChemDiv3_007272 CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)NC1c3cc(C)ccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K13 compound treatment 0.428 -0.00619 -0.29 0.435 0.00168 0.1 -0.1372 -0.4399 3118895 ChemDiv3_007273 O=C1/C(=C/Nc2ccccc2c3nc4ccccc4c(=O)o3)/Sc5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K14 compound treatment 0.481 0.0468 2.23 0.474 0.0407 2.45 3.3098 0.9989 3026972 ChemDiv3_007274 O=C(CSc1nc2ccccc2nc1N3CCCC3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K15 compound treatment 0.434 -1.88E-4 -0.01 0.436 0.00268 0.16 0.1077 0.6669 3118896 ChemDiv3_007275 NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K16 compound treatment 0.446 0.0118 0.56 0.453 0.0197 1.18 1.2359 0.9422 3118897 ChemDiv3_007276 CCN(CC)CCn1c(=N)n(Cc2ccc(cc2)C(C)(C)C)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K17 compound treatment 0.476 0.0418 1.99 0.474 0.0407 2.45 3.1412 0.9948 1582818 ChemDiv3_007277 CCC(=O)Nc1nonc1c2nc3ccccc3n2CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K18 compound treatment 0.447 0.0128 0.61 0.443 0.00968 0.58 0.8439 0.9997 3118898 ChemDiv3_007278 Cc1ccc(cc1)S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K19 compound treatment 0.431 -0.00319 -0.15 0.436 0.00268 0.16 0.0065 0.0296 3026975 ChemDiv3_007279 Cc1ccc(o1)C(O)C(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K20 compound treatment 0.436 0.00181 0.09 0.441 0.00768 0.46 0.388 0.825 3118899 ChemDiv3_007280 Cc1ccc(cc1)C2=NC(N=C3SCCN32)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K21 compound treatment 0.444 0.00981 0.47 0.44 0.00668 0.4 0.615 0.9972 3026978 ChemDiv3_007281 CCOC(=O)C1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K22 compound treatment 0.448 0.0138 0.66 0.446 0.0127 0.76 1.0053 0.9973 3118900 ChemDiv3_007282 CCCCN1C(=O)NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K23 mock treatment 0.427 -0.00719 -0.34 0.427 -0.00632 -0.38 -0.5115 -0.9986 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 K24 mock treatment 0.45 0.0158 0.75 0.455 0.0217 1.31 1.4559 0.966 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L01 compound treatment 0.437 0.00281 0.13 0.438 0.00468 0.28 0.2939 0.9424 1446827 ChemDiv3_007283 COc1ccc(cc1)C(N2CCOCC2)c3c(C)[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L02 compound treatment 0.466 0.0318 1.52 0.467 0.0337 2.03 2.5061 0.9898 3026980 ChemDiv3_007284 COc1ccc(/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)cc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L03 compound treatment 0.474 0.0398 1.9 0.458 0.0247 1.49 2.3926 0.9927 3119027 ChemDiv3_007285 CC(=O)Nc1cccc(c1)C2=Nc3ccccc3SC(C2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L04 compound treatment 0.537 0.103 4.9 0.535 0.102 6.12 7.7945 0.9939 1408100 ChemDiv3_007286 Clc1ccc(cc1)C(=O)c2ccc(cc2)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L05 compound treatment 0.445 0.0108 0.52 0.462 0.0287 1.73 1.5854 0.8798 3027023 ChemDiv3_007287 COC(=O)CC1N(CCNC1=O)C(=O)OC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L06 compound treatment 0.43 -0.00419 -0.2 0.424 -0.00932 -0.56 -0.5381 -0.9032 3119028 ChemDiv3_007288 COc1ccc(cc1)/C(=N/N2C(Nc3ccccc3C2=O)c4ccccc4O)/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L07 compound treatment 0.446 0.0118 0.56 0.458 0.0247 1.49 1.4488 0.9118 3119029 ChemDiv3_007289 COC(=O)c1ccccc1NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L08 compound treatment 0.467 0.0328 1.56 0.448 0.0147 0.88 1.7309 0.9635 3027025 ChemDiv3_007290 Cc1cc2nc3s/c(=C/4\C(=O)N(CC(=O)O)c5ccccc45)/c(=O)n3c2cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L09 compound treatment 0.505 0.0708 3.38 0.489 0.0557 3.35 4.7574 1.0 3119030 ChemDiv3_007291 Cc1ccc(NC(=O)c2ccc(cc2)n3nc(c4CCc5occc5-c43)C(F)(F)F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L10 compound treatment 0.431 -0.00319 -0.15 0.447 0.0137 0.82 0.4749 0.5671 3027027 ChemDiv3_007292 COC(=O)Nc1ccc(cc1)C(=O)NCC2CCCO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L11 compound treatment 0.441 0.00681 0.32 0.449 0.0157 0.94 0.8971 0.8987 3119031 ChemDiv3_007293 CCOC(=O)c1ccc2nc(nc(NCc3ccc(Cl)cc3)c2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L12 compound treatment 0.441 0.00681 0.32 0.437 0.00368 0.22 0.3862 0.9826 1631642 ChemDiv3_007294 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L13 compound treatment 0.448 0.0138 0.66 0.449 0.0157 0.94 1.133 0.9845 3119032 ChemDiv3_007295 Cc1cc(O)cc(=O)n1Cc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L14 compound treatment 0.543 0.109 5.19 0.531 0.0977 5.88 7.8264 0.998 1665168 ChemDiv3_007296 COc1ccc(c(OC)c1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NC4CCCC(C)C4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L15 compound treatment 0.396 -0.0382 -1.82 0.405 -0.0283 -1.71 -2.493 -0.9995 3027031 ChemDiv3_007297 C1CCN(CC1)c2ncnc3c4ccccc4oc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L16 compound treatment 0.503 0.0688 3.28 0.513 0.0797 4.8 5.7118 0.9828 1122672 ChemDiv3_007298 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)N(C)C4=C2C(=O)CC(C)(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L17 compound treatment 0.466 0.0318 1.52 0.471 0.0377 2.27 2.6764 0.9808 3027033 ChemDiv3_007299 Clc1ccc2nc(NP3(=O)COc4ccccc4O3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L18 compound treatment 0.437 0.00281 0.13 0.44 0.00668 0.4 0.3791 0.8945 3119033 ChemDiv3_007300 CCOC(=O)c1cnc2cc(ccc2c1N3CC(C)CC(C)C3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L19 compound treatment 0.449 0.0148 0.71 0.444 0.0107 0.64 0.9539 0.9989 3027035 ChemDiv3_007301 CCC1(CC)C(=O)N(CC(=O)OC)C(=O)N(C)C1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L20 compound treatment 0.509 0.0748 3.57 0.492 0.0587 3.53 5.0199 1.0 1630796 ChemDiv3_007302 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L21 compound treatment 0.434 -1.88E-4 -0.01 0.454 0.0207 1.24 0.874 0.702 3119034 ChemDiv3_007303 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4ccc(C)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L22 compound treatment 0.46 0.0258 1.23 0.455 0.0217 1.31 1.793 0.9996 1710843 ChemDiv3_007304 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L23 mock treatment 0.443 0.00881 0.42 0.447 0.0137 0.82 0.8794 0.9512 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 L24 mock treatment 0.441 0.00681 0.32 0.443 0.00968 0.58 0.6416 0.9619 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M01 compound treatment 0.435 8.12E-4 0.04 0.444 0.0107 0.64 0.482 0.7484 1183622 ChemDiv3_007305 O=C(NCc1ccccc1)c2nc3ncccn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M02 compound treatment 0.449 0.0148 0.71 0.449 0.0157 0.94 1.1668 0.9898 3119035 ChemDiv3_007306 COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(=O)C)c4ccccc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M03 compound treatment 0.439 0.00481 0.23 0.434 6.77E-4 0.04 0.1911 0.82 3027121 ChemDiv3_007307 COc1cccc(c1)C2CC(n3ncc(C(=O)O)c3N2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M04 compound treatment 0.44 0.00581 0.28 0.446 0.0127 0.76 0.7357 0.9059 3119036 ChemDiv3_007308 Cc1ccc2[nH]c(CCCC(=O)O)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M05 compound treatment 0.437 0.00281 0.13 0.441 0.00768 0.46 0.4217 0.8761 3027123 ChemDiv3_007309 CCSC1=C(C#N)C(=O)NC(S1)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M06 compound treatment 0.44 0.00581 0.28 0.458 0.0247 1.49 1.2466 0.8248 3119037 ChemDiv3_007310 O=C(Nc1ccccc1)C2CC(=O)n3ncnc3N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M07 compound treatment 0.433 -0.00119 -0.06 0.433 -3.23E-4 -0.02 -0.0538 -0.8983 1057220 ChemDiv3_007311 OC(COc1ccccc1)Cn2ccccc2=N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M08 compound treatment 0.445 0.0108 0.52 0.449 0.0157 0.94 1.0319 0.9595 3027125 ChemDiv3_007312 CC(=O)Nc1cccc(c1)c2nn3c(C)nnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M09 compound treatment 0.459 0.0248 1.18 0.456 0.0227 1.37 1.8019 0.9974 3119038 ChemDiv3_007313 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)NCc4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M10 compound treatment 0.439 0.00481 0.23 0.438 0.00468 0.28 0.3614 0.9948 3027127 ChemDiv3_007314 COC(=O)c1c(C)ncc2COC(C)OCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M11 compound treatment 0.502 0.0678 3.23 0.488 0.0547 3.29 4.6137 1.0 3119039 ChemDiv3_007315 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c4ccc(Cl)cc4)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M12 compound treatment 0.439 0.00481 0.23 0.442 0.00868 0.52 0.5317 0.9317 3027129 ChemDiv3_007316 O=C(CSc1ccccn1)N2CCN(C2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M13 compound treatment 0.427 -0.00719 -0.34 0.443 0.00968 0.58 0.1697 0.2511 3119040 ChemDiv3_007317 CN(C)CCNC(=O)c1cc2ccccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M14 compound treatment 0.442 0.00781 0.37 0.444 0.0107 0.64 0.7179 0.9663 3119041 ChemDiv3_007318 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M15 compound treatment 0.434 -1.88E-4 -0.01 0.434 6.77E-4 0.04 0.0225 0.5394 3027131 ChemDiv3_007319 COCCn1c(nc(=S)c2COC(C)(C)Cc21)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M16 compound treatment 0.434 -1.88E-4 -0.01 0.438 0.00468 0.28 0.1928 0.6843 3027133 ChemDiv3_007320 Cn1c(=N)n(CCCOc2ccc(F)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M17 compound treatment 0.551 0.117 5.57 0.548 0.115 6.9 8.8198 0.9943 3119042 ChemDiv3_007321 Cc1ccn2cc(cc2c1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M18 compound treatment 0.442 0.00781 0.37 0.45 0.0167 1.0 0.9734 0.9089 3119043 ChemDiv3_007322 Cc1ccc2C(=O)NC(Nc2c1)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M19 compound treatment 0.473 0.0388 1.85 0.463 0.0297 1.79 2.5718 0.9998 3027207 ChemDiv3_007323 CCOC(=O)c1ccc(Nc2nnc3n(CC=C)c(=O)c4c(C)c(C)sc4n23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M20 compound treatment 0.434 -1.88E-4 -0.01 0.427 -0.00632 -0.38 -0.2755 -0.7235 3119044 ChemDiv3_007324 CC1=C(C#N)C(N=C(N1)c2ccncc2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M21 compound treatment 0.448 0.0138 0.66 0.448 0.0147 0.88 1.0905 0.9895 3027209 ChemDiv3_007325 CC1CCN(CC1)C(=O)c2c(C)oc3C(=O)c4ccccc4C(=O)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M22 compound treatment 0.433 -0.00119 -0.06 0.442 0.00868 0.52 0.3294 0.6268 3119045 ChemDiv3_007326 CC1=C(C#N)C(N=C(Cc2ccccc2)N1)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M23 mock treatment 0.432 -0.00219 -0.1 0.429 -0.00432 -0.26 -0.2578 -0.9194 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 M24 mock treatment 0.448 0.0138 0.66 0.442 0.00868 0.52 0.835 0.9934 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N01 compound treatment 0.515 0.0808 3.85 0.563 0.13 7.81 8.245 0.947 1651520 ChemDiv3_007327 COc1ccc(cc1)C(OC(=O)c2ccccc2)c3nccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N02 compound treatment 0.447 0.0128 0.61 0.439 0.00568 0.34 0.6736 0.9624 1505116 ChemDiv3_007328 Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N03 compound treatment 0.443 0.00881 0.42 0.438 0.00468 0.28 0.4962 0.9811 3119046 ChemDiv3_007329 CC(=O)N1CN(Cc2c3CCCCc3sc12)C4CCS(=O)(=O)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N04 compound treatment 0.492 0.0578 2.76 0.486 0.0527 3.17 4.1915 0.9975 1135097 ChemDiv3_007330 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2ccc(C)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N05 compound treatment 0.44 0.00581 0.28 0.449 0.0157 0.94 0.8634 0.8776 3119047 ChemDiv3_007331 Oc1ccc(NC(=O)CN2CC(=O)Oc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N06 compound treatment 0.452 0.0178 0.85 0.461 0.0277 1.67 1.7788 0.9511 3027214 ChemDiv3_007332 CCOC(=O)C1=C(NC(=S)NC1CC)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N07 compound treatment 0.453 0.0188 0.9 0.455 0.0217 1.31 1.557 0.9832 3119048 ChemDiv3_007333 CC(C)(C)NC(=O)c1ccc(cc1)n2nc(c3CCc4occc4-c32)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N08 compound treatment 0.47 0.0358 1.71 0.45 0.0167 1.0 1.9172 0.968 3119179 ChemDiv3_007334 CCc1nnc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N09 compound treatment 0.461 0.0268 1.28 0.472 0.0387 2.33 2.5505 0.9601 3027218 ChemDiv3_007335 OC(=O)c1nn(c-2c1CCc3occc32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N10 compound treatment 0.432 -0.00219 -0.1 0.442 0.00868 0.52 0.2957 0.555 3119180 ChemDiv3_007336 COc1ccc(NC(=C2C(=O)CC(C)(C)CC2=O)CCCN3C(=O)c4ccccc4C3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N11 compound treatment 0.452 0.0178 0.85 0.448 0.0147 0.88 1.2253 0.9998 3027294 ChemDiv3_007337 CCOC(=O)c1ccc2nc(nc(NCCc3ccc(OC)cc3)c2c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N12 compound treatment 0.433 -0.00119 -0.06 0.432 -0.00132 -0.08 -0.0963 -0.986 1740813 ChemDiv3_007338 COc1ccc(cc1)n2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N13 compound treatment 0.451 0.0168 0.8 0.446 0.0127 0.76 1.1064 0.9997 3027297 ChemDiv3_007339 COc1ccc(Cn2c(C)cc(O)cc2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N14 compound treatment 0.428 -0.00619 -0.29 0.429 -0.00432 -0.26 -0.3926 -0.9981 1296230 ChemDiv3_007340 Cc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N15 compound treatment 0.435 8.12E-4 0.04 0.445 0.0117 0.7 0.5246 0.7449 3027299 ChemDiv3_007341 OCn1c2CCCCc2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N16 compound treatment 0.439 0.00481 0.23 0.45 0.0167 1.0 0.8723 0.8468 3119181 ChemDiv3_007342 Cc1ccc(cc1C)N2C3=C(C(C4=C2CC(C)(C)CC4=O)c5cccs5)C(=O)CC(C)(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N17 compound treatment 0.445 0.0108 0.52 0.443 0.00968 0.58 0.7765 0.9981 3027303 ChemDiv3_007343 Brc1ccc(cc1)C(=O)C(C(=O)N2CCCCC2)n3ccccc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N18 compound treatment 0.42 -0.0142 -0.68 0.422 -0.0113 -0.68 -0.9603 -1.0 3119182 ChemDiv3_007344 CCOC(=O)c1cnc2c(OC)cccc2c1NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N19 compound treatment 0.438 0.00381 0.18 0.442 0.00868 0.52 0.4979 0.9002 3027305 ChemDiv3_007345 CCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N20 compound treatment 0.469 0.0348 1.66 0.474 0.0407 2.45 2.9053 0.982 1741518 ChemDiv3_007346 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC(C)C4)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N21 compound treatment 0.442 0.00781 0.37 0.441 0.00768 0.46 0.5902 0.9943 3027307 ChemDiv3_007347 COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N22 compound treatment 0.449 0.0148 0.71 0.447 0.0137 0.82 1.0816 0.9971 1286138 ChemDiv3_007348 COc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N23 mock treatment 0.443 0.00881 0.42 0.438 0.00468 0.28 0.4962 0.9811 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 N24 mock treatment 0.438 0.00381 0.18 0.422 -0.0113 -0.68 -0.3535 -0.5011 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O01 compound treatment 0.42 -0.0142 -0.68 0.419 -0.0143 -0.86 -1.088 -0.9928 1788832 ChemDiv3_007349 O=C(N(Cc1ccccc1)Cc2ccccc2)c3nc4ncccn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O02 compound treatment 0.497 0.0628 2.99 0.497 0.0637 3.83 4.8283 0.9925 3119183 ChemDiv3_007350 COc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccc4cccnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O03 compound treatment 0.44 0.00581 0.28 0.436 0.00268 0.16 0.3099 0.9668 3027446 ChemDiv3_007351 COc1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O04 compound treatment 0.453 0.0188 0.9 0.451 0.0177 1.06 1.3867 0.9964 3119184 ChemDiv3_007352 OC(=O)c1ccc2[nH]c(CCc3nc4cc(ccc4[nH]3)C(=O)O)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O05 compound treatment 0.43 -0.00419 -0.2 0.446 0.0127 0.76 0.3986 0.5052 3027447 ChemDiv3_007353 CCSC1=C(C#N)C(=O)NCS1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O06 compound treatment 0.438 0.00381 0.18 0.446 0.0127 0.76 0.6682 0.8517 3119185 ChemDiv3_007354 Clc1ccccc1C2N=C(Nc3nc4ccccc4s3)NC5=C2C(=O)CCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O07 compound treatment 0.542 0.108 5.14 0.535 0.102 6.12 7.963 0.9962 3027478 ChemDiv3_007355 COc1ccc(cc1)C2=Cc3ccccc3C(C)(C)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O08 compound treatment 0.445 0.0108 0.52 0.432 -0.00132 -0.08 0.3082 0.5909 3119186 ChemDiv3_007356 CC1(C)CC(=O)C2=C(C1)NCN(Cc3ccc4OCOc4c3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O09 compound treatment 0.498 0.0638 3.04 0.478 0.0447 2.69 4.0531 0.9981 3119187 ChemDiv3_007357 Fc1ccc(cc1)C2Nn3c(nnc3SC2C(=O)Nc4ccccc4C(F)(F)F)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O10 compound treatment 0.436 0.00181 0.09 0.446 0.0127 0.76 0.6008 0.7822 3027482 ChemDiv3_007358 CCCC[N+]1(C)C2CCC1CC(O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O11 compound treatment 0.432 -0.00219 -0.1 0.433 -3.23E-4 -0.02 -0.0875 -0.8246 3027483 ChemDiv3_007359 OCCNS(=O)(=O)c1cccc2cccnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O12 compound treatment 0.443 0.00881 0.42 0.439 0.00568 0.34 0.5388 0.9948 3119188 ChemDiv3_007360 Cc1ccc2oc(c(CN3CCOCC3)c(=O)c2c1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O13 compound treatment 0.425 -0.00919 -0.44 0.443 0.00968 0.58 0.1023 0.1404 3027487 ChemDiv3_007361 CCCN1CC2CCCC3(C1)C(=O)NC4(CCCCC4)N=C23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O14 compound treatment 0.496 0.0618 2.95 0.501 0.0677 4.07 4.9649 0.9873 3119189 ChemDiv3_007362 CC1CN(CC(C)O1)c2nc3ccccc3nc2SCC(=O)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O15 compound treatment 0.44 0.00581 0.28 0.444 0.0107 0.64 0.6505 0.9292 3119190 ChemDiv3_007363 Sc1ncnc2c1sc3nc(N4CCOCC4)c5CCCCc5c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O16 compound treatment 0.429 -0.00519 -0.25 0.438 0.00468 0.28 0.0243 0.0648 3027489 ChemDiv3_007364 CCn1c(=N)n(CCCOc2ccc(Br)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O17 compound treatment 0.553 0.119 5.66 0.551 0.118 7.09 9.015 0.9938 3119191 ChemDiv3_007365 COc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O18 compound treatment 0.442 0.00781 0.37 0.451 0.0177 1.06 1.016 0.901 3027491 ChemDiv3_007366 CN(C)C1=NC(N=C(C)O1)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O19 compound treatment 0.433 -0.00119 -0.06 0.435 0.00168 0.1 0.0314 0.2711 3119192 ChemDiv3_007367 CN(CCO)C(=O)c1ccc-2c(c1)C(=O)c3ccccc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O20 compound treatment 0.434 -1.88E-4 -0.01 0.443 0.00968 0.58 0.4057 0.6962 3027493 ChemDiv3_007368 FC(F)(F)C1(C2CC(C=C2)N1C(=O)c3ccncc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O21 compound treatment 0.461 0.0268 1.28 0.453 0.0197 1.18 1.7415 0.9993 3119193 ChemDiv3_007369 Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)N4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O22 compound treatment 0.485 0.0508 2.42 0.494 0.0607 3.65 4.2961 0.9801 1582951 ChemDiv3_007370 CCN1CCN(CC1)C(c2cccnc2)c3ccc4cccnc4c3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O23 mock treatment 0.435 8.12E-4 0.04 0.425 -0.00832 -0.5 -0.3269 -0.6505 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 O24 mock treatment 0.443 0.00881 0.42 0.442 0.00868 0.52 0.6665 0.9942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P01 compound treatment 0.521 0.0868 4.14 0.5 0.0667 4.01 5.765 0.9999 1619302 ChemDiv3_007371 Cc1[nH]c2ccccc2c1C(Nc3cc(C)ccn3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P02 compound treatment 0.557 0.123 5.85 0.553 0.12 7.21 9.235 0.9947 3119194 ChemDiv3_007372 Cc1ccc2NC(C3CC=CC3c2c1)c4ccc(/N=C/c5ccccc5)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P03 compound treatment 0.443 0.00881 0.42 0.453 0.0197 1.18 1.1348 0.9028 3027529 ChemDiv3_007373 CC(=O)N1CN(CCCn2ccnc2)Cc3c4CCCCc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P04 compound treatment 0.426 -0.00819 -0.39 0.436 0.00268 0.16 -0.162 -0.3836 3027531 ChemDiv3_007374 O=S(=O)(Nc1ccccc1)/C=C/c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P05 compound treatment 0.463 0.0288 1.37 0.46 0.0267 1.61 2.107 0.997 3119195 ChemDiv3_007375 Fc1ccc(cc1)N2CCN(CC2)C(=O)CN3CC(=O)Oc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P06 compound treatment 0.446 0.0118 0.56 0.445 0.0117 0.7 0.8953 0.9939 1922912 ChemDiv3_007376 OC(CC(=O)/C=C/c1ccccc1)(c2ccccc2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P07 compound treatment 0.438 0.00381 0.18 0.446 0.0127 0.76 0.6682 0.8517 3027533 ChemDiv3_007377 COC(=O)c1oc2CC(C)(C)c3nc4ccccc4nc3-c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P08 compound treatment 0.436 0.00181 0.09 0.44 0.00668 0.4 0.3454 0.8399 1600357 ChemDiv3_007378 CCc1ccc(cc1)N2NC(=O)C(=C(C)C)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P09 compound treatment 0.45 0.0158 0.75 0.44 0.00668 0.4 0.8173 0.9567 3119196 ChemDiv3_007379 Cc1ccc(Sc2sc(=O)n(C)c2S(=O)(=O)c3ccc(C)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P10 compound treatment 0.422 -0.0122 -0.58 0.427 -0.00632 -0.38 -0.68 -0.979 1389317 ChemDiv3_007380 S=C(NCCc1ccccc1)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P11 compound treatment 0.444 0.00981 0.47 0.447 0.0137 0.82 0.9131 0.9641 3119197 ChemDiv3_007381 Cc1cc2OC(=C(C#N)C(c3ccccc3)c2c(=O)n1Cc4ccccn4)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P12 compound treatment 0.47 0.0358 1.71 0.477 0.0437 2.63 3.0667 0.9781 1520017 ChemDiv3_007382 O=C(NCC1CCCO1)c2ccc3c(=O)n(c4ccccc4)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P13 compound treatment 0.44 0.00581 0.28 0.441 0.00768 0.46 0.5228 0.97 3027536 ChemDiv3_007383 COc1ccc(CCn2c(C)cc(O)cc2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P14 compound treatment 0.47 0.0358 1.71 0.473 0.0397 2.39 2.8964 0.9864 1672880 ChemDiv3_007384 COc1ccc(CCNC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=S)[nH]c3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P15 compound treatment 0.442 0.00781 0.37 0.454 0.0207 1.24 1.1437 0.8801 3027538 ChemDiv3_007385 O=C1CCC(=O)N1CCOP2(=O)COc3ccccc3OC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P16 compound treatment 0.447 0.0128 0.61 0.449 0.0157 0.94 1.0993 0.9778 3119321 ChemDiv3_007386 CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4cccc(F)c4)C(=O)CC(C)(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P17 compound treatment 0.451 0.0168 0.8 0.444 0.0107 0.64 1.0213 0.994 3027592 ChemDiv3_007387 Oc1ccccc1CNCc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P18 compound treatment 0.443 0.00881 0.42 0.45 0.0167 1.0 1.0071 0.9252 3119322 ChemDiv3_007388 CCOC(=O)c1cnc2c(OC)cccc2c1N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P19 compound treatment 0.449 0.0148 0.71 0.446 0.0127 0.76 1.039 0.9992 1582507 ChemDiv3_007389 CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P20 compound treatment 0.439 0.00481 0.23 0.452 0.0187 1.12 0.9574 0.8342 3119323 ChemDiv3_007390 COC(=O)c1ccc2n(C)/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)/sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P21 compound treatment 0.445 0.0108 0.52 0.457 0.0237 1.43 1.3725 0.9054 1257313 ChemDiv3_007391 O=C1N(CCSC(=S)N2CCSCC2)Cc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P22 compound treatment 0.435 8.12E-4 0.04 0.439 0.00568 0.34 0.2691 0.7822 1190401 ChemDiv3_007392 Cc1cccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c4ccccc24)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P23 mock treatment 0.433 -0.00119 -0.06 0.443 0.00968 0.58 0.372 0.6354 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2021 P24 mock treatment 0.432 -0.00219 -0.1 0.408 -0.0253 -1.52 -1.1518 -0.7537 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A01 compound treatment 0.43 -0.00453 -0.22 0.392 -0.00673 -0.41 -0.4394 -0.9566 1539835 ChemDiv3_007393 Fc1ccccc1C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A02 compound treatment 0.441 0.00647 0.31 0.389 -0.00973 -0.59 -0.1963 -0.2965 3119324 ChemDiv3_007394 O=C(NCCCN1CCCCC1)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A03 compound treatment 0.449 0.0145 0.69 0.397 -0.00173 -0.1 0.4139 0.5934 3119325 ChemDiv3_007395 COc1ccc(cc1Cl)n2nc(C(=O)NCC(=O)NC3CCCCCC3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A04 compound treatment 0.428 -0.00653 -0.31 0.403 0.00427 0.26 -0.0385 -0.0954 3027601 ChemDiv3_007396 Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A05 compound treatment 0.432 -0.00253 -0.12 0.418 0.0193 1.16 0.735 0.6302 3027602 ChemDiv3_007397 CC(=O)Nn1cc(C(=O)O)c2ccccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A06 compound treatment 0.43 -0.00453 -0.22 0.384 -0.0147 -0.89 -0.78 -0.8543 3119326 ChemDiv3_007398 CC1CC(C)(C)NC(=S)N1CCC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A07 compound treatment 0.427 -0.00753 -0.36 0.393 -0.00573 -0.35 -0.498 -0.9998 3119327 ChemDiv3_007399 COc1ccc(NC(=O)Cn2ccc3ccccc3c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A08 compound treatment 0.432 -0.00253 -0.12 0.408 0.00927 0.56 0.3092 0.5417 3119328 ChemDiv3_007400 CN(Cc1ccccc1)S(=O)(=O)c2cc(Br)cc3CCN(C(=O)C)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A09 compound treatment 0.439 0.00447 0.21 0.398 -7.33E-4 -0.04 0.1194 0.5489 3027661 ChemDiv3_007401 COC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A10 compound treatment 0.509 0.0745 3.55 0.488 0.0893 5.37 6.3107 0.9797 3119329 ChemDiv3_007402 CC(C)CCNC(=O)c1cc(Sc2ccc(F)cc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A11 compound treatment 0.447 0.0125 0.59 0.388 -0.0107 -0.65 -0.0367 -0.0418 3119330 ChemDiv3_007403 COc1ccccc1N2CCN(CC2)C(=O)c3cnc(Nc4ccc(C)c(Cl)c4)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A12 compound treatment 0.528 0.0935 4.46 0.489 0.0903 5.43 6.9937 0.9951 1295744 ChemDiv3_007404 COC(=O)C(C)Sc1ncnc2n(cc(c3ccccc3)c12)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A13 compound treatment 0.432 -0.00253 -0.12 0.403 0.00427 0.26 0.0963 0.3394 3119331 ChemDiv3_007405 COc1cccc(c1)C2C(C(=O)O)c3ccccc3C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A14 compound treatment 0.431 -0.00353 -0.17 0.392 -0.00673 -0.41 -0.4057 -0.9242 3027666 ChemDiv3_007406 COc1ccc(cc1)n2nc(C(=O)NCC(=O)N3CCCC3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A15 compound treatment 0.428 -0.00653 -0.31 0.387 -0.0117 -0.71 -0.7197 -0.9322 3119332 ChemDiv3_007407 O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A16 compound treatment 0.44 0.00547 0.26 0.41 0.0113 0.68 0.664 0.9137 1729397 ChemDiv3_007408 CCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A17 compound treatment 0.426 -0.00853 -0.41 0.399 2.67E-4 0.02 -0.2762 -0.6787 3027669 ChemDiv3_007409 O=C(NCCC1=CCCCC1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A18 compound treatment 0.437 0.00247 0.12 0.389 -0.00973 -0.59 -0.3312 -0.554 1492777 ChemDiv3_007410 COc1ccccc1c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)OC(C)C4)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A19 compound treatment 0.475 0.0405 1.93 0.414 0.0153 0.92 2.0141 0.9425 3119333 ChemDiv3_007411 CC1CCCN(C1)C(=O)Cc2cn(Cc3cccc(Cl)c3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A20 compound treatment 0.425 -0.00953 -0.45 0.388 -0.0107 -0.65 -0.7782 -0.9851 3027725 ChemDiv3_007412 COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A21 compound treatment 0.417 -0.0175 -0.84 0.394 -0.00473 -0.28 -0.7925 -0.8975 3119334 ChemDiv3_007413 COc1ccc(CCNC(=O)CSc2cc(Cl)nc3ccc(C)cc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A22 compound treatment 0.427 -0.00753 -0.36 0.386 -0.0127 -0.77 -0.796 -0.9402 3027727 ChemDiv3_007414 O=C(CCN1C(=O)C2C3CC(C=C3)C2C1=O)NC(c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A23 mock treatment 0.429 -0.00553 -0.26 0.382 -0.0167 -1.01 -0.8989 -0.8631 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 A24 mock treatment 0.43 -0.00453 -0.22 0.375 -0.0237 -1.43 -1.1632 -0.8048 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B01 compound treatment 0.504 0.0695 3.31 0.426 0.0273 1.64 3.5025 0.9476 3119335 ChemDiv3_007415 CC(C)Cc1ccc(cc1)S(=O)(=O)N2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B02 compound treatment 0.476 0.0415 1.98 0.436 0.0373 2.24 2.9844 0.998 3119336 ChemDiv3_007416 CCCCn1/c(=N\C(=O)C(C)(C)C)/c(cc2c(=O)n3ccccc3nc12)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B03 compound treatment 0.496 0.0615 2.93 0.469 0.0703 4.23 5.0636 0.9839 1729864 ChemDiv3_007417 COc1ccc(cc1OC)S(=O)(=O)Nc2nc3ccccc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B04 compound treatment 0.447 0.0125 0.59 0.426 0.0273 1.64 1.5812 0.9056 3119337 ChemDiv3_007418 CCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B05 compound treatment 0.505 0.0705 3.36 0.465 0.0663 3.99 5.1966 0.9963 3027732 ChemDiv3_007419 Cc1ccc(CN(Cc2ccco2)C(=S)Nc3c(C)cc(C)cc3C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B06 compound treatment 0.417 -0.0175 -0.84 0.385 -0.0137 -0.83 -1.1756 -1.0 3119338 ChemDiv3_007420 Clc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B07 compound treatment 0.526 0.0915 4.36 0.501 0.102 6.16 7.4372 0.9857 3119339 ChemDiv3_007421 CC(C)c1ccc(NC(=O)C(N(C)c2ccccc2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B08 compound treatment 0.453 0.0185 0.88 0.426 0.0273 1.64 1.7834 0.9573 3027734 ChemDiv3_007422 O=C(CCS(=O)(=O)c1cccc2nsnc12)NC(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B09 compound treatment 0.507 0.0725 3.45 0.47 0.0713 4.29 5.4769 0.9942 3119340 ChemDiv3_007423 CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2cccs2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B10 compound treatment 0.407 -0.0275 -1.31 0.378 -0.0207 -1.25 -1.8107 -0.9997 3119341 ChemDiv3_007424 CC1CCCC(NC(=O)C2(O)N(C(=O)Nc3ccccc32)c4ccc(C)c(C)c4)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B11 compound treatment 0.447 0.0125 0.59 0.418 0.0193 1.16 1.2406 0.9518 3027737 ChemDiv3_007425 CCC(C)(N(C(=O)C)c1ccc(C)cc1)C(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B12 compound treatment 0.44 0.00547 0.26 0.395 -0.00373 -0.22 0.0254 0.0738 3027738 ChemDiv3_007426 CCOc1ccc(cc1)N(CC)S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B13 compound treatment 0.441 0.00647 0.31 0.407 0.00827 0.5 0.57 0.9735 3119342 ChemDiv3_007427 Cc1cccc(OCC(=O)Nc2ccc3nc(cc(C)c3c2)N4CCCCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B14 compound treatment 0.44 0.00547 0.26 0.39 -0.00873 -0.53 -0.1875 -0.3194 3026787 ChemDiv3_007428 CCC(C)NC(=O)C1C(N(C)C(=O)c2cc(OC)c(OC)cc12)c3ccc(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B15 compound treatment 0.433 -0.00153 -0.07 0.41 0.0113 0.68 0.4281 0.6274 3119476 ChemDiv3_007429 CCCN1CCN(CC1)C(=O)Cn2cnc3sc(C)c(c3c2=O)S(=O)(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B16 compound treatment 0.45 0.0155 0.74 0.418 0.0193 1.16 1.3417 0.9761 1498334 ChemDiv3_007430 CCSc1nc2NC3=C(C(c4ccccc4)c2c(=O)[nH]1)C(=O)CCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B17 compound treatment 0.448 0.0135 0.64 0.451 0.0523 3.15 2.6792 0.8342 3026790 ChemDiv3_007431 COc1ccc(cc1)C2C(C(=O)Nc3ccc(OC)c(OC)c3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B18 compound treatment 0.454 0.0195 0.93 0.399 2.67E-4 0.02 0.6676 0.7192 3119477 ChemDiv3_007432 CCN(Cc1ccccc1)C(=O)CSc2nc3nc(C)c(Cc4ccccc4Cl)c(C)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B19 compound treatment 0.454 0.0195 0.93 0.421 0.0223 1.34 1.6042 0.9839 3026791 ChemDiv3_007433 COc1ccc(cc1)C2C(C(=O)Nc3cc(C)c(Cl)cc3OC)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B20 compound treatment 0.448 0.0135 0.64 0.413 0.0143 0.86 1.0614 0.9897 3119478 ChemDiv3_007434 COc1ccc(cc1)N2C(C(CCC2=O)C(=O)N3CCCCC3)c4ccc(OC)c(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B21 compound treatment 0.447 0.0125 0.59 0.43 0.0313 1.88 1.7515 0.8872 3119479 ChemDiv3_007435 CC1CCCCN1C(=O)NC2(Oc3ccccc3O2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B22 compound treatment 0.609 0.174 8.32 0.56 0.161 9.71 12.7468 0.997 3026794 ChemDiv3_007436 CCc1ccc(NC(=O)c2cnc(Nc3ccc(OC)cc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B23 mock treatment 0.437 0.00247 0.12 0.408 0.00927 0.56 0.4777 0.8378 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 B24 mock treatment 0.434 -5.31E-4 -0.03 0.391 -0.00773 -0.47 -0.3472 -0.7445 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C01 compound treatment 0.524 0.0895 4.26 0.467 0.0683 4.11 5.9222 0.9998 1729621 ChemDiv3_007437 CC(Sc1cn(CCNC(=O)c2cccs2)c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C02 compound treatment 0.425 -0.00953 -0.45 0.378 -0.0207 -1.25 -1.204 -0.9063 3119480 ChemDiv3_007438 O=C(NCc1ccccc1)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C03 compound treatment 0.417 -0.0175 -0.84 0.391 -0.00773 -0.47 -0.9202 -0.9619 3026797 ChemDiv3_007439 COc1ccc(cc1)N(C)C(=O)c2cnc(N3CCN(CC3)c4ncccn4)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C04 compound treatment 0.488 0.0535 2.55 0.473 0.0743 4.47 4.9642 0.9645 3119481 ChemDiv3_007440 Cn1c2ccccc2c3cnn(CNC(=O)Nc4ccc(F)cc4)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C05 compound treatment 0.426 -0.00853 -0.41 0.395 -0.00373 -0.22 -0.4465 -0.9609 3119482 ChemDiv3_007441 CCc1ccc(NC(=O)C2CCC(=O)N(C2c3ccc(OC)cc3)c4ccc(OC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C06 compound treatment 0.421 -0.0135 -0.65 0.387 -0.0117 -0.71 -0.9557 -0.999 3026800 ChemDiv3_007442 CC1CC(C)(C)NC(=S)N1CC(=O)N(C)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C07 compound treatment 0.424 -0.0105 -0.5 0.391 -0.00773 -0.47 -0.6842 -0.9993 3119483 ChemDiv3_007443 COc1ccc(CNC(=O)C2C(N(C)C(=O)c3ccccc23)c4cccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C08 compound treatment 0.444 0.00947 0.45 0.425 0.0263 1.58 1.4375 0.874 3026854 ChemDiv3_007444 Cc1cc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c3ccc4OCOc4c3)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C09 compound treatment 0.417 -0.0175 -0.84 0.389 -0.00973 -0.59 -1.0053 -0.9849 3119484 ChemDiv3_007445 COc1ccc(cc1)N(C)C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C10 compound treatment 0.484 0.0495 2.36 0.448 0.0493 2.97 3.765 0.9935 3026857 ChemDiv3_007446 Fc1ccc(Sc2cc(C(=O)NCCC3=CCCCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C11 compound treatment 0.421 -0.0135 -0.65 0.387 -0.0117 -0.71 -0.9557 -0.999 3119485 ChemDiv3_007447 CCN(C(=O)c1coc(=O)c2ccccc12)c3cccc(c3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C12 compound treatment 0.48 0.0455 2.17 0.435 0.0363 2.18 3.0767 1.0 1182380 ChemDiv3_007448 CCOc1ccc(cc1)n2cc(c3ccccc3)c4c(SCC)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C13 compound treatment 0.422 -0.0125 -0.6 0.385 -0.0137 -0.83 -1.0071 -0.9873 3026859 ChemDiv3_007449 CN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C14 compound treatment 0.43 -0.00453 -0.22 0.387 -0.0117 -0.71 -0.6523 -0.883 3119486 ChemDiv3_007450 COc1ccc(cc1)n2nc(C(=O)NCC(=O)NCc3ccccc3OC)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C15 compound treatment 0.42 -0.0145 -0.69 0.397 -0.00173 -0.1 -0.5636 -0.8046 3026861 ChemDiv3_007451 CCc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C16 compound treatment 0.432 -0.00253 -0.12 0.397 -0.00173 -0.1 -0.1591 -0.9974 1329624 ChemDiv3_007452 Fc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C17 compound treatment 0.445 0.0105 0.5 0.412 0.0133 0.8 0.9177 0.9744 3119487 ChemDiv3_007453 COc1ccc2cc(/C=N/Cc3ccc(C)cc3)c(nc2c1)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C18 compound treatment 0.473 0.0385 1.83 0.442 0.0433 2.61 3.1388 0.9852 1251410 ChemDiv3_007454 COc1cccc(c1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C19 compound treatment 0.43 -0.00453 -0.22 0.403 0.00427 0.26 0.0289 0.0861 3119488 ChemDiv3_007455 Clc1cccc(Cn2cc(CC(=O)Nc3nc4ccccc4s3)c5ccccc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C20 compound treatment 0.429 -0.00553 -0.26 0.401 0.00227 0.14 -0.0899 -0.3029 3026866 ChemDiv3_007456 CCN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nnc(COC)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C21 compound treatment 0.416 -0.0185 -0.88 0.379 -0.0197 -1.19 -1.4648 -0.9894 3119489 ChemDiv3_007457 FC(F)(F)c1cccc(NC(=S)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C22 compound treatment 0.417 -0.0175 -0.84 0.386 -0.0127 -0.77 -1.1331 -0.9991 3026868 ChemDiv3_007458 CCN(C(=O)Cn1c(=O)oc2ccccc12)c3cccc(c3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C23 mock treatment 0.415 -0.0195 -0.93 0.381 -0.0177 -1.07 -1.4133 -0.9977 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 C24 mock treatment 0.42 -0.0145 -0.69 0.384 -0.0147 -0.89 -1.1171 -0.9925 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D01 compound treatment 0.446 0.0115 0.55 0.427 0.0283 1.7 1.59 0.8895 1212159 ChemDiv3_007459 COc1ccc(OC)c(c1)S(=O)(=O)N2CC(C)OC(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D02 compound treatment 0.478 0.0435 2.07 0.451 0.0523 3.15 3.6905 0.9794 3119490 ChemDiv3_007460 CCCCn1/c(=N\C(=O)c2ccccc2)/c(cc3c(=O)n4ccccc4nc13)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D03 compound treatment 0.44 0.00547 0.26 0.402 0.00327 0.2 0.3234 0.9903 1880067 ChemDiv3_007461 CC1CN(C(C)CN1S(=O)(=O)c2ccc(F)cc2)S(=O)(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D04 compound treatment 0.434 -5.31E-4 -0.03 0.404 0.00527 0.32 0.2063 0.6486 3026919 ChemDiv3_007462 CC(=O)Oc1c(Sc2c(F)c(F)c(F)c(F)c2F)c(C)nn1C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D05 compound treatment 0.534 0.0995 4.74 0.492 0.0933 5.62 7.3237 0.9965 3119491 ChemDiv3_007463 COc1cc(Cl)c(C)cc1NC(=S)N(Cc2ccco2)Cc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D06 compound treatment 0.439 0.00447 0.21 0.438 0.0393 2.36 1.8224 0.7677 3026921 ChemDiv3_007464 CCc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D07 compound treatment 0.537 0.102 4.88 0.521 0.122 7.36 8.6595 0.9802 3119492 ChemDiv3_007465 CC(C)c1ccc(NC(=O)C(N2CCc3ccccc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D08 compound treatment 0.432 -0.00253 -0.12 0.426 0.0273 1.64 1.0755 0.6534 3119493 ChemDiv3_007466 O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D09 compound treatment 0.533 0.0985 4.69 0.5 0.101 6.1 7.6306 0.9917 3026924 ChemDiv3_007467 CC(C)c1ccc(NC(=O)C(NC(=O)/C=C/c2ccc3OCOc3c2)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D10 compound treatment 0.378 -0.0565 -2.69 0.359 -0.0397 -2.39 -3.5972 -0.9982 3119494 ChemDiv3_007468 CC(C)NC(=O)C1(O)N(C(=O)Nc2ccccc21)c3ccc(Cl)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D11 compound treatment 0.439 0.00447 0.21 0.406 0.00727 0.44 0.46 0.9453 3119495 ChemDiv3_007469 CCC(C)(N(C)C(=O)c1ccccn1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D12 compound treatment 0.435 4.69E-4 0.02 0.403 0.00427 0.26 0.1975 0.7657 3026926 ChemDiv3_007470 CCN(c1ccc(F)cc1)S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D13 compound treatment 0.418 -0.0165 -0.79 0.398 -7.33E-4 -0.04 -0.5885 -0.7456 3119496 ChemDiv3_007471 Cc1cc(nc2ccc(NC(=O)CCC3CCCC3)cc12)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D14 compound treatment 0.447 0.0125 0.59 0.433 0.0343 2.06 1.8792 0.8752 3026928 ChemDiv3_007472 COC(=O)c1cn(NC(=O)c2cccc(OC)c2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D15 compound treatment 0.439 0.00447 0.21 0.416 0.0173 1.04 0.8858 0.8347 3119634 ChemDiv3_007473 COCCN1C(C(C(=O)NCc2ccccc2OC)c3ccccc3C1=O)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D16 compound treatment 0.483 0.0485 2.31 0.482 0.0833 5.01 5.1788 0.9381 3119635 ChemDiv3_007474 CCOC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)C(C(C)C2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D17 compound treatment 0.505 0.0705 3.36 0.517 0.118 7.12 7.4105 0.9412 3026931 ChemDiv3_007475 COc1ccc(cc1)C2C(C(=O)Nc3ccc(cc3)C(F)(F)F)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D18 compound treatment 0.526 0.0915 4.36 0.551 0.152 9.17 9.5659 0.9423 3119636 ChemDiv3_007476 Cc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NCc4c(F)cc(F)cc4F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D19 compound treatment 0.443 0.00847 0.4 0.497 0.0983 5.92 4.4691 0.7536 3119637 ChemDiv3_007477 COc1ccc(cc1)C2C(C(=O)NCCCN3CCC(C)CC3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D20 compound treatment 0.427 -0.00753 -0.36 0.488 0.0893 5.37 3.5466 0.6584 3119638 ChemDiv3_007478 COc1ccc(cc1)N2C(C(CCC2=O)C(=O)N3CCN(CC3)c4ccccc4)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D21 compound treatment 0.434 -5.31E-4 -0.03 0.476 0.0773 4.65 3.2717 0.7032 3026981 ChemDiv3_007479 FC(F)(F)C1(NC(=O)N2CCCc3ccccc23)Oc4ccccc4O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D22 compound treatment 0.417 -0.0175 -0.84 0.391 -0.00773 -0.47 -0.9202 -0.9619 3119639 ChemDiv3_007480 COc1ccc(CCC(=O)Nc2ccc3nc(cc(C)c3c2)N4CCC(C)CC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D23 mock treatment 0.443 0.00847 0.4 0.406 0.00727 0.44 0.5948 0.9992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 D24 mock treatment 0.438 0.00347 0.17 0.39 -0.00873 -0.53 -0.2549 -0.4624 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E01 compound treatment 0.432 -0.00253 -0.12 0.456 0.0573 3.45 2.3528 0.6819 3026983 ChemDiv3_007481 COC(=O)COc1nsnc1N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E02 compound treatment 0.471 0.0365 1.74 0.428 0.0293 1.76 2.4753 1.0 3119640 ChemDiv3_007482 COc1ccccc1Nc2c3CCCCc3nc4ccc(NC(=O)/C=C/c5cccs5)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E03 compound treatment 0.465 0.0305 1.45 0.429 0.0303 1.82 2.3156 0.9937 3026984 ChemDiv3_007483 CCN(C(=O)c1cnc(N2CCN(CC2)c3ncccn3)c4ccccc14)c5cccc(Cl)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E04 compound treatment 0.434 -5.31E-4 -0.03 0.43 0.0313 1.88 1.3133 0.6975 3119641 ChemDiv3_007484 Cc1cc2ccccc2c(=O)n1CC(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E05 compound treatment 0.446 0.0115 0.55 0.421 0.0223 1.34 1.3346 0.9218 3026987 ChemDiv3_007485 COc1ccc(cc1)C2C(CCC(=O)N2c3ccc(OC)cc3)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E06 compound treatment 0.443 0.00847 0.4 0.437 0.0383 2.3 1.9147 0.8185 3119642 ChemDiv3_007486 CC1CC(C)(C)NC(=S)N1CC(=O)Nc2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E07 compound treatment 0.437 0.00247 0.12 0.421 0.0223 1.34 1.0312 0.7662 3119643 ChemDiv3_007487 COc1ccccc1CNC(=O)Cn2cnc3ccc(cc3c2=O)S(=O)(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E08 compound treatment 0.448 0.0135 0.64 0.438 0.0393 2.36 2.1258 0.8677 3026990 ChemDiv3_007488 COc1ccccc1c2cc(nc(n2)S(=O)(=O)CCCC(=O)N3CCCCC3C)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E09 compound treatment 0.462 0.0275 1.31 0.431 0.0323 1.94 2.2997 0.9816 3119644 ChemDiv3_007489 COc1ccc(CNC(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E10 compound treatment 0.447 0.0125 0.59 0.433 0.0343 2.06 1.8792 0.8752 3119645 ChemDiv3_007490 CCC(C)N1C(C(=O)NC2CCCC(C)C2C)C3(OC4C=C3)C(C4C(=O)Nc5cccc(C)c5)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E11 compound treatment 0.443 0.00847 0.4 0.449 0.0503 3.03 2.4256 0.7944 3026993 ChemDiv3_007491 CN(C(=O)c1coc(=O)c2ccccc12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E12 compound treatment 0.429 -0.00553 -0.26 0.449 0.0503 3.03 1.9536 0.6431 3026995 ChemDiv3_007492 Cn1c(C(=O)O)c(CC(=O)Nc2cnc3ccccc3c2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E13 compound treatment 0.453 0.0185 0.88 0.493 0.0943 5.68 4.6359 0.8071 3028013 ChemDiv3_007493 COc1ccc(CNC(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E14 compound treatment 0.453 0.0185 0.88 0.504 0.105 6.34 5.1042 0.7977 3028014 ChemDiv3_007494 COc1ccc(cc1)n2nc(C(=O)NCC(=O)NC3CCCC(C)C3C)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E15 compound treatment 0.504 0.0695 3.31 0.547 0.148 8.93 8.654 0.9089 3028015 ChemDiv3_007495 CCc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E16 compound treatment 0.441 0.00647 0.31 0.489 0.0903 5.43 4.0611 0.746 1175664 ChemDiv3_007496 COc1ccc(cc1)n2nc3CS(=O)Cc3c2NC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E17 compound treatment 0.59 0.155 7.41 0.64 0.241 14.53 15.5123 0.9512 3028016 ChemDiv3_007497 CCc1ccc(Nc2nc3cc(OC)ccc3cc2C#N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E18 compound treatment 0.467 0.0325 1.55 0.521 0.122 7.36 6.2999 0.8375 1274303 ChemDiv3_007498 COc1cccc(c1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E19 compound treatment 0.512 0.0775 3.69 0.571 0.172 10.37 9.9455 0.9033 3119646 ChemDiv3_007499 CCC1CCCCN1C(=O)Cc2cn(Cc3cccc(Cl)c3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E20 compound treatment 0.469 0.0345 1.64 0.528 0.129 7.78 6.6654 0.8379 3119647 ChemDiv3_007500 FC(F)(F)c1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E21 compound treatment 0.463 0.0285 1.36 0.534 0.135 8.14 6.7186 0.8137 3028017 ChemDiv3_007501 Cc1cccc(CCNC(=S)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E22 compound treatment 0.434 -5.31E-4 -0.03 0.405 0.00627 0.38 0.2489 0.6582 3119648 ChemDiv3_007502 CC1CC(C)(C)NC(=S)N1CCC(=O)Nc2ccc3OCCOc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E23 mock treatment 0.433 -0.00153 -0.07 0.402 0.00327 0.2 0.0875 0.4169 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 E24 mock treatment 0.44 0.00547 0.26 0.401 0.00227 0.14 0.2808 0.9544 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F01 compound treatment 0.451 0.0165 0.79 0.419 0.0203 1.22 1.418 0.9773 1624488 ChemDiv3_007503 COc1ccc(OC)c(c1)S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F02 compound treatment 0.456 0.0215 1.02 0.436 0.0373 2.24 2.3103 0.9368 3119649 ChemDiv3_007504 CCCCn1/c(=N\C(=O)C(C)Oc2ccccc2)/c(cc3c(=O)n4ccccc4nc13)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F03 compound treatment 0.448 0.0135 0.64 0.415 0.0163 0.98 1.1465 0.979 3119650 ChemDiv3_007505 CCc1ccc(NC(=S)N(CCCN2CCCCC2)Cc3cccs3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F04 compound treatment 0.44 0.00547 0.26 0.455 0.0563 3.39 2.5799 0.7593 3028018 ChemDiv3_007506 CC1CC(C)CN(C1)c2nc3n(C)c(=O)n(C)c(=O)c3n2CCSc4nnc(C)s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F05 compound treatment 0.449 0.0145 0.69 0.46 0.0613 3.69 3.0961 0.825 3119651 ChemDiv3_007507 CSc1cccc(NC(=S)N(CCN2CCCCC2)Cc3ccco3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F06 compound treatment 0.449 0.0145 0.69 0.462 0.0633 3.81 3.1813 0.8218 3028019 ChemDiv3_007508 CC1CCCCN1C(=O)CCS(=O)(=O)c2cccc3nonc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F07 compound treatment 0.499 0.0645 3.07 0.487 0.0883 5.31 5.931 0.9661 3119652 ChemDiv3_007509 COc1ccc(cc1)C(NC(=O)Cc2cc3ccccc3[nH]2)C(=O)Nc4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F08 compound treatment 0.444 0.00947 0.45 0.458 0.0593 3.57 2.8424 0.7903 3028020 ChemDiv3_007510 CCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F09 compound treatment 0.508 0.0735 3.5 0.513 0.114 6.88 7.3413 0.9509 3119653 ChemDiv3_007511 COc1ccc(cc1)C(N(Cc2ccco2)C(=O)c3cnccn3)C(=O)Nc4ccc(cc4)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F10 compound treatment 0.443 0.00847 0.4 0.473 0.0743 4.47 3.4473 0.7678 1174354 ChemDiv3_007512 CNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F11 compound treatment 0.447 0.0125 0.59 0.485 0.0863 5.19 4.0931 0.7829 3028021 ChemDiv3_007513 CCC(C)(N(C)C(=O)Cc1cccs1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F12 compound treatment 0.444 0.00947 0.45 0.478 0.0793 4.77 3.6939 0.7705 1379326 ChemDiv3_007514 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F13 compound treatment 0.438 0.00347 0.17 0.491 0.0923 5.56 4.0452 0.7278 3119654 ChemDiv3_007515 COc1ccc(/C=C/C(=O)Nc2ccc3nc(cc(C)c3c2)N4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F14 compound treatment 0.463 0.0285 1.36 0.515 0.116 7.0 5.9096 0.8288 3028022 ChemDiv3_007516 COC(=O)c1cn(NC(=O)C(C2CCCC2)c3ccccc3)c(=O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F15 compound treatment 0.455 0.0205 0.98 0.51 0.111 6.7 5.4271 0.8016 3119655 ChemDiv3_007517 CCN1CCCC1CNC(=O)C2C(N(CCOC)C(=O)c3ccccc23)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F16 compound treatment 0.439 0.00447 0.21 0.494 0.0953 5.74 4.2066 0.7329 1872278 ChemDiv3_007518 CC1CCN(CC1)/C(=C/c2nsc(Nc3ccc(F)c(Cl)c3)n2)/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F17 compound treatment 0.463 0.0285 1.36 0.526 0.127 7.66 6.378 0.8196 3119656 ChemDiv3_007519 COc1ccc(cc1)C2C(C(=O)NC3CCCC(C)C3C)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F18 compound treatment 0.529 0.0945 4.5 0.58 0.181 10.91 10.9017 0.9234 3119795 ChemDiv3_007520 COc1ccccc1CNC(=O)c2ccc3SCC(=O)N(Cc4ccc(F)cc4Cl)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F19 compound treatment 0.449 0.0145 0.69 0.521 0.122 7.36 5.6932 0.77 3028024 ChemDiv3_007521 CCCCN(C)C(=O)C1C(N(Cc2ccc(F)cc2)C(=O)c3ccccc13)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F20 compound treatment 0.441 0.00647 0.31 0.518 0.119 7.18 5.2958 0.7368 3119796 ChemDiv3_007522 COc1ccc(cc1)N2C(C(CCC2=O)C(=O)NCC3CCCO3)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F21 compound treatment 0.473 0.0385 1.83 0.565 0.166 10.01 8.3754 0.8229 3028025 ChemDiv3_007523 CC(C)CNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F22 compound treatment 0.437 0.00247 0.12 0.444 0.0453 2.73 2.0104 0.737 3119797 ChemDiv3_007524 CC1CCN(CC1)c2cc(C)c3cc(NC(=O)c4ccc5OCOc5c4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F23 mock treatment 0.438 0.00347 0.17 0.397 -0.00173 -0.1 0.0431 0.2206 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 F24 mock treatment 0.444 0.00947 0.45 0.407 0.00827 0.5 0.6711 0.9988 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G01 compound treatment 0.427 -0.00753 -0.36 0.418 0.0193 1.16 0.5664 0.4664 3119798 ChemDiv3_007525 CCOC(=O)C1CCN(CC1)C(=O)c2n[nH]c(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G02 compound treatment 0.473 0.0385 1.83 0.435 0.0363 2.18 2.8407 0.9962 3028026 ChemDiv3_007526 COc1ccccc1Nc2c3CCCCc3nc4ccc(NC(=O)CCN5CCOCC5)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G03 compound treatment 0.47 0.0355 1.69 0.435 0.0363 2.18 2.7396 0.992 3119799 ChemDiv3_007527 COc1ccc(cc1)C2C(C(=O)NC3CCCCC3)c4ccccc4C(=O)N2c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G04 compound treatment 0.468 0.0335 1.6 0.458 0.0593 3.57 3.6514 0.9341 3119800 ChemDiv3_007528 CC(C)c1ccc(NC(=O)Cn2c(C)cc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G05 compound treatment 0.437 0.00247 0.12 0.469 0.0703 4.23 3.0748 0.7265 3028027 ChemDiv3_007529 COc1ccc(cc1)C2C(CCC(=O)N2c3ccc(OC)cc3)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G06 compound treatment 0.457 0.0225 1.07 0.451 0.0523 3.15 2.9826 0.8972 3119801 ChemDiv3_007530 CC1CC(C)(C)NC(=S)N1CC(=O)N2CCC(Cc3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G07 compound treatment 0.441 0.00647 0.31 0.46 0.0613 3.69 2.8265 0.7636 3119802 ChemDiv3_007531 CCCCN(CC)C(=O)Cn1cnc2ccc(cc2c1=O)S(=O)(=O)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G08 compound treatment 0.445 0.0105 0.5 0.459 0.0603 3.63 2.9187 0.7969 3028028 ChemDiv3_007532 COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G09 compound treatment 0.531 0.0965 4.6 0.564 0.165 9.95 10.2879 0.9385 3119803 ChemDiv3_007533 COc1ccc(CNC(=O)c2cnc(Nc3ccccc3OC)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G10 compound treatment 0.477 0.0425 2.02 0.506 0.107 6.46 5.9984 0.8862 3119804 ChemDiv3_007534 CCC(C)N1C(C(=O)NC2CCCCC2)C3(OC4C=C3)C(C4C(=O)Nc5cccc(Cl)c5)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G11 compound treatment 0.429 -0.00553 -0.26 0.471 0.0723 4.35 2.8903 0.663 3028029 ChemDiv3_007535 CN(C(=O)c1coc(=O)c2ccccc12)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G12 compound treatment 0.445 0.0105 0.5 0.482 0.0833 5.01 3.8979 0.7737 3028030 ChemDiv3_007536 Cn1c(C(=O)O)c(CC(=O)N2CCCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G13 compound treatment 0.438 0.00347 0.17 0.52 0.121 7.3 5.2798 0.7229 3119805 ChemDiv3_007537 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)c3cc4c(=O)oc5ccccc5c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G14 compound treatment 0.444 0.00947 0.45 0.495 0.0963 5.8 4.4177 0.7599 1158320 ChemDiv3_007538 Cc1ccc2NC(=O)CN(C(c3ccc(F)cc3)c2c1)C(=O)COc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G15 compound treatment 0.438 0.00347 0.17 0.508 0.109 6.58 4.7689 0.7247 3119806 ChemDiv3_007539 Cc1ccc(CNC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G16 compound treatment 0.445 0.0105 0.5 0.507 0.108 6.52 4.9623 0.759 1232646 ChemDiv3_007540 CCC(=O)Nc1c2CS(=O)Cc2nn1c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G17 compound treatment 0.441 0.00647 0.31 0.516 0.117 7.06 5.2106 0.7373 3028031 ChemDiv3_007541 CC(C)NC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G18 compound treatment 0.447 0.0125 0.59 0.515 0.116 7.0 5.3703 0.7644 1173970 ChemDiv3_007542 COc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCC(C)CC4)o2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G19 compound treatment 0.442 0.00747 0.36 0.529 0.13 7.84 5.7978 0.7384 3028032 ChemDiv3_007543 COC(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G20 compound treatment 0.442 0.00747 0.36 0.493 0.0943 5.68 4.2651 0.75 3119807 ChemDiv3_007544 COc1ccc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G21 compound treatment 0.436 0.00147 0.07 0.515 0.116 7.0 4.9995 0.7141 3028033 ChemDiv3_007545 O=c1n2CCCCCc2nc3ccc(NC(=S)NC4CCCCCC4)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G22 compound treatment 0.433 -0.00153 -0.07 0.409 0.0103 0.62 0.3855 0.6193 3119808 ChemDiv3_007546 CC1Cc2ccccc2N1C(=O)CCN3C(C)CC(C)(C)NC3=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G23 mock treatment 0.429 -0.00553 -0.26 0.398 -7.33E-4 -0.04 -0.2177 -0.8142 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 G24 mock treatment 0.436 0.00147 0.07 0.411 0.0123 0.74 0.5718 0.7707 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H01 compound treatment 0.437 0.00247 0.12 0.4 0.00127 0.08 0.1371 0.9779 3028034 ChemDiv3_007547 COc1ccc(OC)c(c1)S(=O)(=O)N2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H02 compound treatment 0.497 0.0625 2.98 0.455 0.0563 3.39 4.5012 0.9979 3119809 ChemDiv3_007548 CCOC(=O)c/1cc2c(=O)n3ccccc3nc2n(C4CCCCC4)\c1=N/C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H03 compound treatment 0.429 -0.00553 -0.26 0.41 0.0113 0.68 0.2932 0.4029 3119810 ChemDiv3_007549 CCc1ccc(NC(=S)N(CCCN2CCCC2)Cc3ccco3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H04 compound treatment 0.43 -0.00453 -0.22 0.402 0.00327 0.2 -0.0137 -0.0468 3028035 ChemDiv3_007550 CN(Cc1ccccc1)c2nc3n(C)c(=O)n(C)c(=O)c3n2CCSc4nc5ccccc5o4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H05 compound treatment 0.434 -5.31E-4 -0.03 0.431 0.0323 1.94 1.3558 0.6978 3119811 ChemDiv3_007551 Clc1ccccc1NC(=S)N(CCN2CCCCCC2)Cc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H06 compound treatment 0.435 4.69E-4 0.02 0.466 0.0673 4.05 2.8797 0.711 3028036 ChemDiv3_007552 COc1ccccc1CNC(=O)CCS(=O)(=O)c2cccc3nonc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H07 compound treatment 0.548 0.113 5.41 0.578 0.179 10.79 11.457 0.949 3119812 ChemDiv3_007553 CN(C(C(=O)Nc1ccc2OCOc2c1)c3ccccc3)C(=O)/C=C\c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H08 compound treatment 0.43 -0.00453 -0.22 0.451 0.0523 3.15 2.0725 0.657 3119813 ChemDiv3_007554 O=C(CCNS(=O)(=O)c1cccc2nsnc12)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H09 compound treatment 0.528 0.0935 4.46 0.529 0.13 7.84 8.6967 0.9641 3028037 ChemDiv3_007555 CC(C)c1ccc(NC(=O)C(N2CC(=O)Nc3ccccc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H10 compound treatment 0.528 0.0935 4.46 0.534 0.135 8.14 8.9096 0.9597 1434209 ChemDiv3_007556 COc1cc2CCN(C(COc3ccc(F)cc3)c2cc1OC)C(=S)Nc4cccc(C)c4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H11 compound treatment 0.434 -5.31E-4 -0.03 0.458 0.0593 3.57 2.5054 0.7021 3119814 ChemDiv3_007557 CCC(C)(N(C(=O)c1ccccn1)c2ccccc2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H12 compound treatment 0.419 -0.0155 -0.74 0.455 0.0563 3.39 1.872 0.5398 3028038 ChemDiv3_007558 COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c4ccccc4O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H13 compound treatment 0.439 0.00447 0.21 0.51 0.111 6.7 4.8878 0.7292 3119815 ChemDiv3_007559 CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)c4ccncc4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H14 compound treatment 0.437 0.00247 0.12 0.496 0.0973 5.86 4.2243 0.7212 3028039 ChemDiv3_007560 COC(=O)c1cn(NC(=O)Cc2ccccc2OC)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H15 compound treatment 0.436 0.00147 0.07 0.504 0.105 6.34 4.5312 0.7149 3119816 ChemDiv3_007561 COCCN1C(C(C(=O)N2CCN(CC2)c3ccccn3)c4ccccc4C1=O)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H16 compound treatment 0.448 0.0135 0.64 0.497 0.0983 5.92 4.6377 0.7793 3119817 ChemDiv3_007562 C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)/NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H17 compound treatment 0.441 0.00647 0.31 0.506 0.107 6.46 4.7849 0.74 3028040 ChemDiv3_007563 COc1ccc(cc1)C2C(C(=O)NCC3CCCO3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H18 compound treatment 0.446 0.0115 0.55 0.493 0.0943 5.68 4.4 0.7716 3119953 ChemDiv3_007564 Cc1ccc(CNC(=O)C2C3OC4(CN(Cc5cccs5)C(=O)C24)C=C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H19 compound treatment 0.447 0.0125 0.59 0.526 0.127 7.66 5.8386 0.7597 3119954 ChemDiv3_007565 COc1ccc(cc1)C2C(C(=O)N3CCCCC3)c4ccccc4C(=O)N2Cc5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H20 compound treatment 0.429 -0.00553 -0.26 0.505 0.106 6.4 4.3378 0.6774 3028095 ChemDiv3_007566 COc1cc(OC)cc(c1)C(=O)Nn2cc(C(=O)N3CCN(C)CC3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H21 compound treatment 0.426 -0.00853 -0.41 0.499 0.1 6.04 3.9813 0.658 3028096 ChemDiv3_007567 FC(F)(F)C1(NC(=O)N2CCCCC2)Oc3ccc(Cl)cc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H22 compound treatment 0.423 -0.0115 -0.55 0.446 0.0473 2.85 1.6237 0.5602 3028097 ChemDiv3_007568 FC(F)(F)c1cc(nc(n1)N2CCCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H23 mock treatment 0.439 0.00447 0.21 0.397 -0.00173 -0.1 0.0768 0.3239 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 H24 mock treatment 0.421 -0.0135 -0.65 0.39 -0.00873 -0.53 -0.8279 -0.9949 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I01 compound treatment 0.457 0.0225 1.07 0.464 0.0653 3.93 3.5361 0.8682 3028098 ChemDiv3_007569 COc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I02 compound treatment 0.437 0.00247 0.12 0.408 0.00927 0.56 0.4777 0.8378 3028099 ChemDiv3_007570 CCOC(=O)c1n[nH]c-2c1COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I03 compound treatment 0.443 0.00847 0.4 0.404 0.00527 0.32 0.5097 0.9929 3028100 ChemDiv3_007571 COc1ccc(cc1)C2C(C(=O)Nc3cccc(C)n3)c4ccccc4C(=O)N2c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I04 compound treatment 0.434 -5.31E-4 -0.03 0.412 0.0133 0.8 0.5469 0.6843 3119955 ChemDiv3_007572 CC1CCN(CCCNC(=O)Cn2c(C)cc3ccccc3c2=O)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I05 compound treatment 0.445 0.0105 0.5 0.494 0.0953 5.74 4.4088 0.7657 3028101 ChemDiv3_007573 COc1ccc(cc1)C2C(CCC(=O)N2c3ccc(OC)cc3)C(=O)N4CC(C)CC(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I06 compound treatment 0.441 0.00647 0.31 0.497 0.0983 5.92 4.4017 0.743 3119956 ChemDiv3_007574 CCc1ccc(NC(=O)CCCN2C(C)CC(C)(C)NC2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I07 compound treatment 0.449 0.0145 0.69 0.473 0.0743 4.47 3.6496 0.8066 3119957 ChemDiv3_007575 CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I08 compound treatment 0.446 0.0115 0.55 0.445 0.0463 2.79 2.3564 0.83 3028102 ChemDiv3_007576 CCOC(=O)N1CCC(CC1)NC(=O)c2cc(Sc3ccc(Cl)cc3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I09 compound treatment 0.428 -0.00653 -0.31 0.449 0.0503 3.03 1.9199 0.631 3119958 ChemDiv3_007577 O=C(NC1CCCCC1)C2C3N(CCc4ccccc34)C(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I10 compound treatment 0.447 0.0125 0.59 0.466 0.0673 4.05 3.2842 0.8023 3119959 ChemDiv3_007578 CCCCN1C(C(=O)NC2CCCCC2)C3(OC4C=C3)C(C4C(=O)Nc5ccc(cc5)C(C)C)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I11 compound treatment 0.433 -0.00153 -0.07 0.492 0.0933 5.62 3.9192 0.6979 3028103 ChemDiv3_007579 COc1ccc(cc1)N(C)C(=O)c2cc3c(=O)oc4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I12 compound treatment 0.449 0.0145 0.69 0.491 0.0923 5.56 4.4159 0.7888 3119960 ChemDiv3_007580 Cn1c(C(=O)O)c(CC(=O)NCc2cccnc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I13 compound treatment 0.43 -0.00453 -0.22 0.491 0.0923 5.56 3.7755 0.6791 3028104 ChemDiv3_007581 CC1CC(C)CN(CCCNC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c4ccccc24)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I14 compound treatment 0.44 0.00547 0.26 0.51 0.111 6.7 4.9215 0.7341 1310972 ChemDiv3_007582 Fc1ccc(CC(=O)N2CC(=O)Nc3ccc(F)cc3C2c4ccc(F)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I15 compound treatment 0.43 -0.00453 -0.22 0.496 0.0973 5.86 3.9884 0.6806 3119961 ChemDiv3_007583 Cc1ccc(CNC(=O)CCC(=O)Nc2ccc3nc(cc(C)c3c2)N4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I16 compound treatment 0.438 0.00347 0.17 0.494 0.0953 5.74 4.1729 0.7272 1525579 ChemDiv3_007584 CCCCC(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I17 compound treatment 0.437 0.00247 0.12 0.545 0.146 8.81 6.3105 0.7165 3119962 ChemDiv3_007585 CCOC(=O)CSc1cc(=O)n(CC)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I18 compound treatment 0.439 0.00447 0.21 0.532 0.133 8.02 5.8244 0.7256 1682890 ChemDiv3_007586 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(o2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I19 compound treatment 0.52 0.0855 4.07 0.617 0.218 13.14 12.1736 0.8848 3119963 ChemDiv3_007587 COC(=O)c1cc2COc3ccccc3-c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I20 compound treatment 0.443 0.00847 0.4 0.52 0.121 7.3 5.4484 0.7451 3119964 ChemDiv3_007588 Fc1cccc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I21 compound treatment 0.435 4.69E-4 0.02 0.522 0.123 7.42 5.2638 0.7092 3028105 ChemDiv3_007589 O=c1n2CCCCCc2nc3ccc(NC(=S)NCc4ccccn4)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I22 compound treatment 0.445 0.0105 0.5 0.45 0.0513 3.09 2.5355 0.8109 3119965 ChemDiv3_007590 CC1CC(C)(C)NC(=S)N1CC(=O)NCc2ccc3OCOc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I23 mock treatment 0.435 4.69E-4 0.02 0.401 0.00227 0.14 0.1123 0.8121 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 I24 mock treatment 0.433 -0.00153 -0.07 0.402 0.00327 0.2 0.0875 0.4169 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J01 compound treatment 0.445 0.0105 0.5 0.43 0.0313 1.88 1.684 0.8647 3028106 ChemDiv3_007591 O=S(=O)(N1CCCCCC1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J02 compound treatment 0.552 0.117 5.6 0.496 0.0973 5.86 8.1007 0.9997 3119966 ChemDiv3_007592 CCOC(=O)c/1cc2c(=O)n3ccccc3nc2n(Cc4ccco4)\c1=N/C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J03 compound treatment 0.488 0.0535 2.55 0.45 0.0513 3.09 3.985 0.9955 3119967 ChemDiv3_007593 CCc1ccc(NC(=S)N(Cc2cccs2)C3CCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J04 compound treatment 0.434 -5.31E-4 -0.03 0.468 0.0693 4.17 2.9311 0.7028 3028107 ChemDiv3_007594 Cc1nnc(NN2CCOCC2)[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J05 compound treatment 0.512 0.0775 3.69 0.574 0.175 10.55 10.0732 0.901 3119968 ChemDiv3_007595 CCOC(=O)N1CCN(CC1)c2cc(NCCC(=O)O)c3C(=O)c4ccccc4-c5onc2c53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J06 compound treatment 0.443 0.00847 0.4 0.472 0.0733 4.41 3.4048 0.7686 3028108 ChemDiv3_007596 O=C(CCS(=O)(=O)c1cccc2nonc12)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J07 compound treatment 0.494 0.0595 2.83 0.534 0.135 8.14 7.7635 0.9003 3119969 ChemDiv3_007597 COc1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c4ccc(OC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J08 compound treatment 0.431 -0.00353 -0.17 0.49 0.0913 5.5 3.7666 0.6851 3028109 ChemDiv3_007598 CC1CCN(CC1)C(=O)CCNS(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J09 compound treatment 0.452 0.0175 0.83 0.484 0.0853 5.13 4.219 0.8112 3119970 ChemDiv3_007599 CN(C(C(=O)NC1CCCC1)c2ccc(Cl)cc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J10 compound treatment 0.428 -0.00653 -0.31 0.459 0.0603 3.63 2.3457 0.6441 1345440 ChemDiv3_007600 CC(C)(C)NS(=O)(=O)c1cccc2nsnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J11 compound treatment 0.438 0.00347 0.17 0.478 0.0793 4.77 3.4917 0.7312 3119971 ChemDiv3_007601 O=C(NC1CCCC1)C2(CCCCC2)N(Cc3cccs3)C(=O)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J12 compound treatment 0.461 0.0265 1.26 0.553 0.154 9.29 7.4601 0.7959 3028110 ChemDiv3_007602 Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)Nc3nc4ccccc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J13 compound treatment 0.436 0.00147 0.07 0.506 0.107 6.46 4.6164 0.7147 3119972 ChemDiv3_007603 CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)CC4CCCCC4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J14 compound treatment 0.474 0.0395 1.88 0.546 0.147 8.87 7.6002 0.8385 3028111 ChemDiv3_007604 COC(=O)c1cn(NC(=O)CCC2CCCC2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J15 compound treatment 0.429 -0.00553 -0.26 0.49 0.0913 5.5 3.6992 0.6724 3119973 ChemDiv3_007605 COCCN1C(C(C(=O)NCC2COc3ccccc3O2)c4ccccc4C1=O)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J16 compound treatment 0.471 0.0365 1.74 0.543 0.144 8.69 7.3714 0.8321 3028112 ChemDiv3_007606 CCN/C(=C/c1nsc(Nc2ccc(Cl)c(Cl)c2)n1)/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J17 compound treatment 0.438 0.00347 0.17 0.523 0.124 7.48 5.4075 0.7226 3119974 ChemDiv3_007607 COc1ccc(cc1)C2C(C(=O)NCCc3ccc(OC)c(OC)c3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J18 compound treatment 0.437 0.00247 0.12 0.557 0.158 9.53 6.8214 0.7158 3119975 ChemDiv3_007608 O=C(NC1CCCCC1)C2C3OC4(CN(Cc5cccs5)C(=O)C24)C=C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J19 compound treatment 0.472 0.0375 1.79 0.559 0.16 9.65 8.0863 0.824 3028113 ChemDiv3_007609 CC(C)c1ccc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J20 compound treatment 0.428 -0.00653 -0.31 0.523 0.124 7.48 5.0705 0.6771 3119976 ChemDiv3_007610 CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Br)c(OC)c3)ccc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J21 compound treatment 0.445 0.0105 0.5 0.515 0.116 7.0 5.3029 0.7556 3028114 ChemDiv3_007611 CCOC(=O)c/1cc2c(=O)n3ccccc3nc2n(C)\c1=N/C(=O)\C=C\c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J22 compound treatment 0.436 0.00147 0.07 0.493 0.0943 5.68 4.0629 0.7158 3119977 ChemDiv3_007612 FC(F)(F)c1cc(nc(n1)N2CCN(CC2)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J23 mock treatment 0.43 -0.00453 -0.22 0.401 0.00227 0.14 -0.0562 -0.2201 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 J24 mock treatment 0.43 -0.00453 -0.22 0.397 -0.00173 -0.1 -0.2265 -0.9443 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K01 compound treatment 0.496 0.0615 2.93 0.465 0.0663 3.99 4.8933 0.9885 3120116 ChemDiv3_007613 O=C(NCCC1=CCCCC1)c2n[nH]c(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K02 compound treatment 0.442 0.00747 0.36 0.397 -0.00173 -0.1 0.178 0.4797 3028115 ChemDiv3_007614 CCOC(=O)c1sc2nc3CCCCn3c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K03 compound treatment 0.446 0.0115 0.55 0.421 0.0223 1.34 1.3346 0.9218 3120117 ChemDiv3_007615 COc1ccc(cc1)C2C(C(=O)N3CC(C)CC(C)C3)c4ccccc4C(=O)N2c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K04 compound treatment 0.448 0.0135 0.64 0.479 0.0803 4.83 3.8713 0.7941 3028116 ChemDiv3_007616 CC1CC(C)(C)NC(=S)N1CCC(=O)Nc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K05 compound treatment 0.444 0.00947 0.45 0.471 0.0723 4.35 3.3959 0.7763 3120118 ChemDiv3_007617 COc1ccc(cc1)C2C(CCC(=O)N2c3ccc(OC)cc3)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K06 compound treatment 0.443 0.00847 0.4 0.487 0.0883 5.31 4.0434 0.7586 3028117 ChemDiv3_007618 CC1CC(C)(C)NC(=S)N1CCCC(=O)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K07 compound treatment 0.441 0.00647 0.31 0.478 0.0793 4.77 3.5928 0.7512 3120119 ChemDiv3_007619 CCn1cc(C(=O)NCCC(C)C)c2cc(OC)c(OC)cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K08 compound treatment 0.449 0.0145 0.69 0.467 0.0683 4.11 3.3941 0.8144 3120120 ChemDiv3_007620 Clc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c5ccccc5n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K09 compound treatment 0.44 0.00547 0.26 0.466 0.0673 4.05 3.0482 0.7511 3028118 ChemDiv3_007621 COc1ccc(cc1O)c2c(C(=O)O)c3cc(OC)c(OC)cc3c(=O)n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K10 compound treatment 0.445 0.0105 0.5 0.489 0.0903 5.43 4.196 0.7688 3120121 ChemDiv3_007622 CCOc1ccc(NC(=O)C2C3OC4(C=C3)C(N(C(C)C)C(=O)C24)C(=O)NC5CCCCC5C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K11 compound treatment 0.443 0.00847 0.4 0.479 0.0803 4.83 3.7028 0.7635 3028119 ChemDiv3_007623 CN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K12 compound treatment 0.447 0.0125 0.59 0.488 0.0893 5.37 4.2208 0.7805 3120122 ChemDiv3_007624 CC1CC(C)CN(CCCNC(=O)Cc2c(C(=O)O)n(C)c3ccccc23)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K13 compound treatment 0.437 0.00247 0.12 0.48 0.0813 4.89 3.5431 0.7239 3028120 ChemDiv3_007625 CCN1CCN(CC1)C(=O)Cc2c([nH]c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K14 compound treatment 0.445 0.0105 0.5 0.513 0.114 6.88 5.2177 0.7564 1389024 ChemDiv3_007626 CCCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K15 compound treatment 0.431 -0.00353 -0.17 0.516 0.117 7.06 4.8736 0.6901 3028121 ChemDiv3_007627 COc1ccc2cc(C#N)c(Cl)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K16 compound treatment 0.457 0.0225 1.07 0.531 0.132 7.96 6.3886 0.7951 1517473 ChemDiv3_007628 CC(C)(C)C(=O)Nc1c2CS(=O)Cc2nn1c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K17 compound treatment 0.439 0.00447 0.21 0.527 0.128 7.72 5.6115 0.7263 3028122 ChemDiv3_007629 Clc1cccc(NC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K18 compound treatment 0.492 0.0575 2.74 0.597 0.198 11.94 10.3783 0.8474 1180917 ChemDiv3_007630 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(Cl)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K19 compound treatment 0.465 0.0305 1.45 0.584 0.185 11.15 8.9147 0.7925 3028123 ChemDiv3_007631 Cc1ccc2cc3c(NCc4ccc(F)cc4Cl)n[nH]c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K20 compound treatment 0.451 0.0165 0.79 0.539 0.14 8.45 6.5269 0.7695 3120123 ChemDiv3_007632 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)NC4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K21 compound treatment 0.434 -5.31E-4 -0.03 0.519 0.12 7.24 5.1024 0.7046 3120124 ChemDiv3_007633 O=c1n2CCCCCc2nc3ccc(NC(=S)N4CCCC4)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K22 compound treatment 0.457 0.0225 1.07 0.43 0.0313 1.88 2.0885 0.9643 3028124 ChemDiv3_007634 Fc1ccc(cc1)S(=O)(=O)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K23 mock treatment 0.436 0.00147 0.07 0.399 2.67E-4 0.02 0.0609 0.8473 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 K24 mock treatment 0.446 0.0115 0.55 0.409 0.0103 0.62 0.8237 0.9981 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L01 compound treatment 0.443 0.00847 0.4 0.431 0.0323 1.94 1.6592 0.8362 3028125 ChemDiv3_007635 Brc1ccc(s1)S(=O)(=O)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L02 compound treatment 0.414 -0.0205 -0.98 0.393 -0.00573 -0.35 -0.9362 -0.902 1281251 ChemDiv3_007636 CCCC(=O)Oc1c(Sc2ccccc2)c(C)nn1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L03 compound treatment 0.445 0.0105 0.5 0.425 0.0263 1.58 1.4712 0.8871 3120125 ChemDiv3_007637 Cc1cccc(NC(=S)N(CCN2CCCCCC2)Cc3cccs3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L04 compound treatment 0.446 0.0115 0.55 0.456 0.0573 3.45 2.8247 0.8091 1420486 ChemDiv3_007638 O=c1cnnc(Nc2ccccc2)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L05 compound treatment 0.501 0.0665 3.17 0.556 0.157 9.47 8.9361 0.8949 3120126 ChemDiv3_007639 C=CCN(C(C(=O)Nc1ccc2OCCOc2c1)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L06 compound treatment 0.456 0.0215 1.02 0.504 0.105 6.34 5.2054 0.8108 3028126 ChemDiv3_007640 Clc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L07 compound treatment 0.446 0.0115 0.55 0.482 0.0833 5.01 3.9316 0.7796 3028179 ChemDiv3_007641 COc1ccc(NC(=O)C(N(C)C(=O)c2ccc(=O)[nH]c2)c3ccc(C)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L08 compound treatment 0.431 -0.00353 -0.17 0.452 0.0533 3.21 2.1488 0.6691 3028180 ChemDiv3_007642 Cc1ccc(CNC(=O)C2(O)N(C(=O)Nc3ccccc32)c4ccc(C)c(C)c4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L09 compound treatment 0.467 0.0325 1.55 0.515 0.116 7.0 6.0445 0.8431 3028181 ChemDiv3_007643 CCN(C(C(=O)NC1CCCC1)c2ccccc2)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L10 compound treatment 0.438 0.00347 0.17 0.5 0.101 6.1 4.4283 0.726 3028182 ChemDiv3_007644 Cc1c(Cl)cccc1NS(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L11 compound treatment 0.456 0.0215 1.02 0.49 0.0913 5.5 4.6093 0.8246 3028183 ChemDiv3_007645 CC(=O)NC1(CCCCC1)C(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L12 compound treatment 0.436 0.00147 0.07 0.505 0.106 6.4 4.5738 0.7148 3028184 ChemDiv3_007646 CN(C1CCCCC1)C(=O)CNC(=O)Cn2c(C)cc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L13 compound treatment 0.435 4.69E-4 0.02 0.481 0.0823 4.95 3.5183 0.7103 3120127 ChemDiv3_007647 CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L14 compound treatment 0.444 0.00947 0.45 0.503 0.104 6.28 4.7583 0.756 3028185 ChemDiv3_007648 COC(=O)c1cn(NC(=O)C2CCCCC2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L15 compound treatment 0.449 0.0145 0.69 0.514 0.115 6.94 5.3952 0.7736 3120128 ChemDiv3_007649 COCCN1C(C(C(=O)Nc2ccc(cc2)C(C)C)c3ccccc3C1=O)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L16 compound treatment 0.451 0.0165 0.79 0.538 0.139 8.39 6.4844 0.7699 3028186 ChemDiv3_007650 COc1ccc(CN/C(=C/c2nsc(Nc3ccc(F)cc3)n2)/C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L17 compound treatment 0.453 0.0185 0.88 0.547 0.148 8.93 6.935 0.7731 3120129 ChemDiv3_007651 COc1ccc(cc1)C2C(C(=O)NCc3ccccn3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L18 compound treatment 0.44 0.00547 0.26 0.533 0.134 8.08 5.9007 0.7295 3120130 ChemDiv3_007652 O=C(NCCCN1CCOCC1)C2C3OC4(CN(Cc5cccs5)C(=O)C24)C=C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L19 compound treatment 0.454 0.0195 0.93 0.561 0.162 9.77 7.5647 0.7708 3028187 ChemDiv3_007653 FC(F)(F)C1(NC(=O)NCc2ccccc2)Oc3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L20 compound treatment 0.434 -5.31E-4 -0.03 0.532 0.133 8.02 5.6559 0.7049 3120131 ChemDiv3_007654 CCN(CC)c1cc(C)c2cc(NC(=O)/C(=C\c3ccccc3)/C)ccc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L21 compound treatment 0.452 0.0175 0.83 0.531 0.132 7.96 6.22 0.7768 3028188 ChemDiv3_007655 CCOC(=O)c/1cc2c(=O)n3ccccc3nc2n(C)\c1=N/C(=O)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L22 compound treatment 0.462 0.0275 1.31 0.482 0.0833 5.01 4.471 0.8628 3120132 ChemDiv3_007656 CN(Cc1ccccc1)c2nc(cc(n2)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L23 mock treatment 0.447 0.0125 0.59 0.394 -0.00473 -0.28 0.2188 0.3319 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 L24 mock treatment 0.44 0.00547 0.26 0.438 0.0393 2.36 1.8561 0.7803 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M01 compound treatment 0.442 0.00747 0.36 0.402 0.00327 0.2 0.3908 0.9609 3120133 ChemDiv3_007657 CCN1CCN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M02 compound treatment 0.46 0.0255 1.21 0.43 0.0313 1.88 2.1897 0.9775 3028189 ChemDiv3_007658 Cc1cc(NC2CCCCC2)nc3ccc(N)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M03 compound treatment 0.438 0.00347 0.17 0.41 0.0113 0.68 0.5966 0.8544 3120134 ChemDiv3_007659 COc1ccc(cc1)C2C(C(=O)NCc3cccnc3)c4ccccc4C(=O)N2c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M04 compound treatment 0.44 0.00547 0.26 0.428 0.0293 1.76 1.4304 0.803 3028190 ChemDiv3_007660 COc1ccc(CCNC(=O)CCN2C(C)CC(C)(C)NC2=S)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M05 compound treatment 0.439 0.00447 0.21 0.473 0.0743 4.47 3.3125 0.74 3120135 ChemDiv3_007661 COc1ccc(CCNC(=O)Cn2ccc3ccccc3c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M06 compound treatment 0.446 0.0115 0.55 0.495 0.0963 5.8 4.4851 0.7704 3120136 ChemDiv3_007662 CC1CC(C)(C)NC(=S)N1CCCC(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M07 compound treatment 0.483 0.0485 2.31 0.526 0.127 7.66 7.0521 0.8811 3028191 ChemDiv3_007663 COc1ccc(CNC(=O)Cn2ccc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M08 compound treatment 0.444 0.00947 0.45 0.479 0.0803 4.83 3.7365 0.7698 3120137 ChemDiv3_007664 Fc1ccc(Sc2cc(C(=O)NCc3ccccn3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M09 compound treatment 0.534 0.0995 4.74 0.566 0.167 10.07 10.4742 0.941 3028192 ChemDiv3_007665 Cc1ccc(Nc2ncc(C(=O)NCCC3=CCCCC3)c4ccccc24)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M10 compound treatment 0.531 0.0965 4.6 0.552 0.153 9.23 9.777 0.9483 1477396 ChemDiv3_007666 CCSc1ncnc2n(cc(c3ccccc3)c12)c4cccc(F)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M11 compound treatment 0.441 0.00647 0.31 0.508 0.109 6.58 4.87 0.7394 3117848 ChemDiv3_007667 CC(C)CCNC(=O)c1cc2c(=O)oc3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M12 compound treatment 0.445 0.0105 0.5 0.491 0.0923 5.56 4.2811 0.7675 3028193 ChemDiv3_007668 CC(C)c1ccc(cc1)N(C)C(=O)Cc2c(C(=O)O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M13 compound treatment 0.463 0.0285 1.36 0.51 0.111 6.7 5.6968 0.8334 3117849 ChemDiv3_007669 COc1ccccc1NC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M14 compound treatment 0.453 0.0185 0.88 0.437 0.0383 2.3 2.2517 0.9129 1453585 ChemDiv3_007670 Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccc(C)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M15 compound treatment 0.431 -0.00353 -0.17 0.469 0.0703 4.23 2.8726 0.6784 1354186 ChemDiv3_007671 COc1ccc2nc3sc(cc3cc2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M16 compound treatment 0.432 -0.00253 -0.12 0.501 0.102 6.16 4.2687 0.6931 1356549 ChemDiv3_007672 Clc1cccc(c1)n2nc3CS(=O)Cc3c2NC(=O)c4cccc(Br)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M17 compound treatment 0.436 0.00147 0.07 0.528 0.129 7.78 5.553 0.7134 3117850 ChemDiv3_007673 CCn1c(=O)cc(SCC(=O)NCCc2ccc(C)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M18 compound treatment 0.464 0.0295 1.4 0.522 0.123 7.42 6.2414 0.8263 3117851 ChemDiv3_007674 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c3ccccc3)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M19 compound treatment 0.435 4.69E-4 0.02 0.528 0.129 7.78 5.5193 0.7091 3028194 ChemDiv3_007675 COC(=O)CSc1cc(Cl)nc2ccc(C)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M20 compound treatment 0.447 0.0125 0.59 0.523 0.124 7.48 5.7109 0.7609 3117852 ChemDiv3_007676 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)NCCN4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M21 compound treatment 0.433 -0.00153 -0.07 0.509 0.11 6.64 4.643 0.6993 3028195 ChemDiv3_007677 O=c1n2CCCCCc2nc3ccc(NC(=S)NCC4CCCO4)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M22 compound treatment 0.474 0.0395 1.88 0.456 0.0573 3.45 3.7685 0.9594 1876488 ChemDiv3_007678 CC(C)Cc1ccc(cc1)S(=O)(=O)N2CC(C)CC(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M23 mock treatment 0.43 -0.00453 -0.22 0.399 2.67E-4 0.02 -0.1414 -0.6527 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 M24 mock treatment 0.437 0.00247 0.12 0.397 -0.00173 -0.1 0.0094 0.0599 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N01 compound treatment 0.543 0.108 5.17 0.493 0.0943 5.68 7.6696 0.9989 3028196 ChemDiv3_007679 O=S(=O)(N1CCc2ccccc12)c3ccc(cc3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N02 compound treatment 0.515 0.0805 3.84 0.459 0.0603 3.63 5.2782 0.9996 1535908 ChemDiv3_007680 Cc1nn(c(OC(=O)c2cccs2)c1Sc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N03 compound treatment 0.436 0.00147 0.07 0.417 0.0183 1.1 0.8272 0.7506 3117853 ChemDiv3_007681 CCc1ccccc1NC(=S)N(CCN(C)C)Cc2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N04 compound treatment 0.43 -0.00453 -0.22 0.414 0.0153 0.92 0.4972 0.5266 1505679 ChemDiv3_007682 Cc1ccc2n(CCC#N)c3CC[N+](C)(C)Cc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N05 compound treatment 0.502 0.0675 3.22 0.475 0.0763 4.59 5.5212 0.9848 3117854 ChemDiv3_007683 CCN(C(C(=O)Nc1ccc2OCCOc2c1)c3ccccc3)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N06 compound treatment 0.443 0.00847 0.4 0.423 0.0243 1.46 1.3186 0.8699 3028197 ChemDiv3_007684 CN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c3cc(C)ccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N07 compound treatment 0.444 0.00947 0.45 0.458 0.0593 3.57 2.8424 0.7903 3117855 ChemDiv3_007685 COc1ccc(NC(=O)C(NC(=O)c2ccc(=O)[nH]c2)c3ccc(C)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N08 compound treatment 0.437 0.00247 0.12 0.405 0.00627 0.38 0.35 0.8856 3117856 ChemDiv3_007686 OC1(N(C(=O)Nc2ccccc21)c3c(F)cccc3F)C(=O)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N09 compound treatment 0.467 0.0325 1.55 0.469 0.0703 4.23 4.086 0.907 3028198 ChemDiv3_007687 CN(C(C(=O)NC1CCCCC1)c2ccc(C)cc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N10 compound treatment 0.44 0.00547 0.26 0.424 0.0253 1.52 1.2601 0.8164 3117857 ChemDiv3_007688 CCCCN(Cc1ccccc1)S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N11 compound treatment 0.434 -5.31E-4 -0.03 0.441 0.0423 2.54 1.7816 0.7 3028199 ChemDiv3_007689 CC(=O)N(Cc1ccco1)C2(CCCCC2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N12 compound treatment 0.464 0.0295 1.4 0.445 0.0463 2.79 2.9631 0.9498 3117858 ChemDiv3_007690 COc1ccc(cc1)N2CCN(CC2)C(=O)CNC(=O)Cn3c(C)cc4ccccc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N13 compound treatment 0.46 0.0255 1.21 0.483 0.0843 5.07 4.4461 0.8523 3117859 ChemDiv3_007691 COc1ccc(C(=O)Nc2ccc3nc(cc(C)c3c2)N4CCN(CC4)c5ncccn5)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N14 compound treatment 0.438 0.00347 0.17 0.431 0.0323 1.94 1.4907 0.7645 3028200 ChemDiv3_007692 COC(=O)c1cn(NC(=O)C2CCCO2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N15 compound treatment 0.448 0.0135 0.64 0.449 0.0503 3.03 2.5941 0.8385 3117860 ChemDiv3_007693 COCCN1C(C(C(=O)NCCCN2CCC(C)CC2)c3ccccc3C1=O)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N16 compound treatment 0.482 0.0475 2.26 0.499 0.1 6.04 5.8689 0.9103 3028201 ChemDiv3_007694 C/C(=C\c1nsc(Nc2ccccc2)n1)/NCc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N17 compound treatment 0.442 0.00747 0.36 0.458 0.0593 3.57 2.775 0.7738 3117861 ChemDiv3_007695 CCCCN(C)C(=O)C1C(N(C)C(=O)c2ccccc12)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N18 compound treatment 0.439 0.00447 0.21 0.453 0.0543 3.27 2.461 0.7516 3117862 ChemDiv3_007696 Clc1ccccc1CN2CC3(OC4C=C3)C(C4C(=O)NC5CC5)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N19 compound treatment 0.453 0.0185 0.88 0.438 0.0393 2.36 2.2943 0.9094 3028202 ChemDiv3_007697 COc1ccc(CCNC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N20 compound treatment 0.459 0.0245 1.17 0.483 0.0843 5.07 4.4124 0.8476 3117863 ChemDiv3_007698 CCc1ccc2nc(sc2c1)N3CCC(CC3)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N21 compound treatment 0.454 0.0195 0.93 0.423 0.0243 1.46 1.6894 0.976 3028203 ChemDiv3_007699 CCCn1/c(=N\C(=O)C(CC)c2ccccc2)/c(cc3c(=O)n4ccccc4nc13)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N22 compound treatment 0.515 0.0805 3.84 0.479 0.0803 4.83 6.1297 0.9935 3117864 ChemDiv3_007700 FC(F)(F)c1cc(nc(NCCc2ccccc2)n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N23 mock treatment 0.442 0.00747 0.36 0.393 -0.00573 -0.35 0.0077 0.0154 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 N24 mock treatment 0.429 -0.00553 -0.26 0.42 0.0213 1.28 0.719 0.55 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O01 compound treatment 0.43 -0.00453 -0.22 0.396 -0.00273 -0.16 -0.2691 -0.991 3117865 ChemDiv3_007701 NC(=O)C1CCN(CC1)C(=O)c2n[nH]c(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O02 compound treatment 0.449 0.0145 0.69 0.41 0.0113 0.68 0.9674 1.0 3028204 ChemDiv3_007702 OC(=O)C1C(N(C2CCCC2)C(=O)c3ccccc13)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O03 compound treatment 0.43 -0.00453 -0.22 0.398 -7.33E-4 -0.04 -0.184 -0.8344 3117866 ChemDiv3_007703 COc1ccc(cc1)C2C(C(=O)N3CCCCC3)c4ccccc4C(=O)N2c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O04 compound treatment 0.451 0.0165 0.79 0.426 0.0273 1.64 1.716 0.943 3028205 ChemDiv3_007704 CC1CC(C)(C)NC(=S)N1CCC(=O)N2CCc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O05 compound treatment 0.44 0.00547 0.26 0.422 0.0233 1.4 1.1749 0.8245 3117867 ChemDiv3_007705 O=C(Cn1ccc2ccccc2c1=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O06 compound treatment 0.441 0.00647 0.31 0.436 0.0373 2.24 1.8047 0.7968 3117868 ChemDiv3_007706 CC1CC(C)(C)NC(=S)N1CCCC(=O)Nc2nc3ccccc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O07 compound treatment 0.433 -0.00153 -0.07 0.427 0.0283 1.7 1.1518 0.6762 3028206 ChemDiv3_007707 COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)NCCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O08 compound treatment 0.483 0.0485 2.31 0.478 0.0793 4.77 5.0085 0.9446 3117869 ChemDiv3_007708 COc1ccc(CCNC(=O)c2cc(Sc3ccc(F)cc3)nc4ccccc24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O09 compound treatment 0.441 0.00647 0.31 0.438 0.0393 2.36 1.8898 0.7926 3117870 ChemDiv3_007709 Cc1ccc(Nc2ncc(C(=O)N3CCCCCC3)c4ccccc24)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O10 compound treatment 0.551 0.116 5.55 0.554 0.155 9.35 10.5363 0.969 1167034 ChemDiv3_007710 COc1ccccc1n2cc(c3ccccc3)c4c(SCC(C)C)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O11 compound treatment 0.432 -0.00253 -0.12 0.419 0.0203 1.22 0.7775 0.6341 3118007 ChemDiv3_007711 CCN(C(=O)c1coc(=O)c2ccccc12)c3cc(OC)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O12 compound treatment 0.442 0.00747 0.36 0.437 0.0383 2.3 1.8809 0.8068 3028207 ChemDiv3_007712 COc1ccc(cc1)n2nc(C(=O)NCC(=O)Nc3cccc(OC)c3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O13 compound treatment 0.439 0.00447 0.21 0.436 0.0373 2.24 1.7372 0.7708 3118008 ChemDiv3_007713 CCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O14 compound treatment 0.445 0.0105 0.5 0.441 0.0423 2.54 2.1524 0.83 1720471 ChemDiv3_007714 CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O15 compound treatment 0.445 0.0105 0.5 0.442 0.0433 2.61 2.1949 0.8275 3028208 ChemDiv3_007715 O=C(NC1CCCCC1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O16 compound treatment 0.456 0.0215 1.02 0.445 0.0463 2.79 2.6935 0.9076 1267933 ChemDiv3_007716 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CS(=O)Cc3nn2C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O17 compound treatment 0.454 0.0195 0.93 0.443 0.0443 2.67 2.5409 0.9003 3028263 ChemDiv3_007717 COc1cc(NC(=O)c2ccc3c(c4CCCCc4nc3c2)n5ccnc5)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O18 compound treatment 0.452 0.0175 0.83 0.442 0.0433 2.61 2.4309 0.8888 3028264 ChemDiv3_007718 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O19 compound treatment 0.433 -0.00153 -0.07 0.417 0.0183 1.1 0.7261 0.6587 3028265 ChemDiv3_007719 CN(C1CCCCC1)C(=O)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O20 compound treatment 0.442 0.00747 0.36 0.437 0.0383 2.3 1.8809 0.8068 3028266 ChemDiv3_007720 CC1Cc2ccccc2N1C(=O)CCN3C(=O)C4C5CC(C=C5)C4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O21 compound treatment 0.421 -0.0135 -0.65 0.403 0.00427 0.26 -0.2745 -0.3953 3118009 ChemDiv3_007721 CCCCN(C)C(=S)Nc1ccc2nc3CCCCCn3c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O22 compound treatment 0.533 0.0985 4.69 0.518 0.119 7.18 8.3969 0.9788 3028267 ChemDiv3_007722 CC(C)Cc1ccc(cc1)S(=O)(=O)N2C(C)Cc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O23 mock treatment 0.426 -0.00853 -0.41 0.398 -7.33E-4 -0.04 -0.3188 -0.7793 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 O24 mock treatment 0.444 0.00947 0.45 0.4 0.00127 0.08 0.3731 0.815 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P01 compound treatment 0.43 -0.00453 -0.22 0.397 -0.00173 -0.1 -0.2265 -0.9443 3118010 ChemDiv3_007723 CC(C)Cc1ccc(cc1)S(=O)(=O)n2cccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P02 compound treatment 0.515 0.0805 3.84 0.497 0.0983 5.92 6.8961 0.978 1702898 ChemDiv3_007724 Cc1nn(c(OC(=O)c2ccccc2)c1Sc3ccccc3)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P03 compound treatment 0.446 0.0115 0.55 0.425 0.0263 1.58 1.5049 0.8993 3118011 ChemDiv3_007725 CCc1ccccc1NC(=S)N(CCCN2CCOCC2)Cc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P04 compound treatment 0.437 0.00247 0.12 0.442 0.0433 2.61 1.9253 0.7383 3028268 ChemDiv3_007726 Cc1ccc2[nH]c3CC[N+](C)(Cc4ccccc4)Cc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P05 compound treatment 0.522 0.0875 4.17 0.528 0.129 7.78 8.4519 0.9572 3118012 ChemDiv3_007727 Cc1ccc(NC(=O)C(N2CCc3ccccc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P06 compound treatment 0.437 0.00247 0.12 0.44 0.0413 2.48 1.8401 0.7398 3118013 ChemDiv3_007728 O=C(CCS(=O)(=O)c1cccc2nsnc12)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P07 compound treatment 0.521 0.0865 4.12 0.527 0.128 7.72 8.3756 0.9568 3028269 ChemDiv3_007729 CC(C)c1ccc(NC(=O)C(NC(=O)Cc2cccs2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P08 compound treatment 0.436 0.00147 0.07 0.417 0.0183 1.1 0.8272 0.7506 3118014 ChemDiv3_007730 OC1(N(C(=O)Nc2ccccc21)c3ccccc3)C(=O)NC4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P09 compound treatment 0.451 0.0165 0.79 0.43 0.0313 1.88 1.8863 0.9248 3118015 ChemDiv3_007731 O=C(NC1CCCCC1)C(N2CCc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P10 compound treatment 0.425 -0.00953 -0.45 0.426 0.0273 1.64 0.8396 0.4929 3028270 ChemDiv3_007732 CN(c1cccc(C)c1)S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P11 compound treatment 0.433 -0.00153 -0.07 0.428 0.0293 1.76 1.1944 0.6772 3118016 ChemDiv3_007733 CO/C(=N\C1CCCCC1)/C(O)c2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P12 compound treatment 0.433 -0.00153 -0.07 0.426 0.0273 1.64 1.1093 0.675 3028271 ChemDiv3_007734 Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)NCC3COc4ccccc4O3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P13 compound treatment 0.455 0.0205 0.98 0.439 0.0403 2.42 2.4043 0.92 3118017 ChemDiv3_007735 CC1CCN(CC1)S(=O)(=O)c2c(C)sc3ncn(CC(=O)NC4CCCC(C)C4C)c(=O)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P14 compound treatment 0.467 0.0325 1.55 0.468 0.0693 4.17 4.0435 0.909 3118018 ChemDiv3_007736 COC(=O)c1cn(NC(=O)/C(=C/c2ccccc2)/C)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P15 compound treatment 0.451 0.0165 0.79 0.451 0.0523 3.15 2.7804 0.8572 3028272 ChemDiv3_007737 COc1ccc(cc1)C2C(C(=O)NCCC3=CCCCC3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P16 compound treatment 0.46 0.0255 1.21 0.456 0.0573 3.45 3.2966 0.9018 3118019 ChemDiv3_007738 C/C(=C\c1nsc(Nc2ccccc2)n1)/NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P17 compound treatment 0.451 0.0165 0.79 0.449 0.0503 3.03 2.6952 0.862 3118020 ChemDiv3_007739 COc1ccc(cc1)C2C(C(=O)N3CCCCC3)c4ccccc4C(=O)N2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P18 compound treatment 0.445 0.0105 0.5 0.431 0.0323 1.94 1.7266 0.8608 3028273 ChemDiv3_007740 Cc1ccc(CN2CC3(OC4C=C3)C(C4C(=O)NCCc5ccc(Cl)cc5)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P19 compound treatment 0.451 0.0165 0.79 0.447 0.0483 2.91 2.6101 0.867 3118021 ChemDiv3_007741 CCN(C1CCCCC1)C(=O)NC2(Oc3ccccc3O2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P20 compound treatment 0.452 0.0175 0.83 0.444 0.0453 2.73 2.516 0.8829 3118022 ChemDiv3_007742 CCc1ccc2nc(sc2c1)N3CCC(CC3)C(=O)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P21 compound treatment 0.487 0.0525 2.5 0.483 0.0843 5.07 5.3562 0.9469 3028274 ChemDiv3_007743 CCOC(=O)c/1cc2c(=O)n3ccccc3nc2n(C(C)C)\c1=N\C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P22 compound treatment 0.466 0.0315 1.5 0.456 0.0573 3.45 3.4989 0.9305 3118023 ChemDiv3_007744 FC(F)(F)c1cc(nc(NC2CCCC2)n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P23 mock treatment 0.442 0.00747 0.36 0.417 0.0183 1.1 1.0295 0.8905 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2022 P24 mock treatment 0.432 -0.00253 -0.12 0.39 -0.00873 -0.53 -0.4571 -0.8473 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A01 compound treatment 0.51 0.0656 3.13 0.503 0.0621 3.74 4.8536 0.996 3028275 ChemDiv3_007745 FC(F)(F)c1cc(nc(NCc2cccnc2)n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A02 compound treatment 0.497 0.0526 2.51 0.491 0.0501 3.02 3.9045 0.9958 3118024 ChemDiv3_007746 Clc1cccc(/C=C\2/Cc3ccccc3C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A03 compound treatment 0.45 0.00556 0.27 0.439 -0.00191 -0.11 0.1063 0.368 3118025 ChemDiv3_007747 CC1(CC2CC(C)(C)C1)CN2c3nc(cc(n3)C(F)(F)F)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A04 compound treatment 0.494 0.0496 2.36 0.484 0.0431 2.59 3.5053 0.9989 3028276 ChemDiv3_007748 O=C1/C(=C/c2ccc(cc2)N3CCOCC3)/Cc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A05 compound treatment 0.442 -0.00244 -0.12 0.44 -9.06E-4 -0.05 -0.1207 -0.9406 3118026 ChemDiv3_007749 O=C(CCS(=O)(=O)c1cccs1)NC2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A06 compound treatment 0.463 0.0186 0.88 0.458 0.0171 1.03 1.3535 0.9972 3028277 ChemDiv3_007750 O=C/1C(CC\C1=C/c2ccc(cc2)N3CCOCC3)C4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A07 compound treatment 0.451 0.00656 0.31 0.44 -9.06E-4 -0.05 0.1826 0.5751 3118027 ChemDiv3_007751 COc1ccc(cc1)C2C(CCC(=O)N2c3ccc4OCOc4c3)C(=O)NCc5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A08 compound treatment 0.505 0.0606 2.89 0.498 0.0571 3.44 4.4722 0.9962 3118028 ChemDiv3_007752 COc1ccccc1OCCn2cc(/C=C/3\Cc4ccccc4C3=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A09 compound treatment 0.435 -0.00944 -0.45 0.436 -0.00491 -0.3 -0.527 -0.9792 3028278 ChemDiv3_007753 CCOC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2c3ccc(OC)cc3)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A10 compound treatment 0.483 0.0386 1.84 0.476 0.0351 2.11 2.794 0.9976 3118029 ChemDiv3_007754 COc1ccc(/C=C/2\CC(C/C(=C/c3ccc(OC)cc3OC)/C2=O)C(C)(C)C)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A11 compound treatment 0.47 0.0256 1.22 0.456 0.0151 0.91 1.5043 0.9896 1213232 ChemDiv3_007755 COc1cccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A12 compound treatment 0.467 0.0226 1.08 0.456 0.0151 0.91 1.4031 0.9965 3118030 ChemDiv3_007756 CN1C/C(=C\c2ccc(F)c(F)c2)/C(=O)\C(=C\c3ccc(F)c(F)c3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A13 compound treatment 0.451 0.00656 0.31 0.444 0.00309 0.19 0.3529 0.9693 1398001 ChemDiv3_007757 CCOc1ccc(cc1)n2c(SCC)nc3c4ccccc4[nH]c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A14 compound treatment 0.479 0.0346 1.65 0.471 0.0301 1.81 2.4463 0.9989 3028279 ChemDiv3_007758 CC(C)/C=C/1\CC/C(=C\c2ccc(cc2)N(C)C)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A15 compound treatment 0.435 -0.00944 -0.45 0.432 -0.00891 -0.54 -0.6973 -0.9962 1343294 ChemDiv3_007759 CC(NCc1nc2ccccc2n1C)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A16 compound treatment 0.445 5.63E-4 0.03 0.44 -9.06E-4 -0.05 -0.0196 -0.3228 3028280 ChemDiv3_007760 CC(C)CCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A17 compound treatment 0.434 -0.0104 -0.5 0.432 -0.00891 -0.54 -0.731 -0.9993 3118031 ChemDiv3_007761 C=CCN1C(=O)C(CC(=O)Nc2ccccc2)N(Cc3ccccn3)C1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A18 compound treatment 0.439 -0.00544 -0.26 0.439 -0.00191 -0.11 -0.2644 -0.9329 3120677 ChemDiv3_007762 CN1C(C(C(=O)N2CCCCC2)c3ccccc3C1=O)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A19 compound treatment 0.487 0.0426 2.03 0.477 0.0361 2.17 2.9714 0.9994 3028281 ChemDiv3_007763 CN1C/C(=C\c2ccc3ccccc3c2)/C(=O)\C(=C/c4cccc5ccccc45)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A20 compound treatment 0.437 -0.00744 -0.35 0.434 -0.00691 -0.42 -0.5447 -0.9969 3120678 ChemDiv3_007764 CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc2ccc(F)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A21 compound treatment 0.488 0.0436 2.08 0.493 0.0521 3.14 3.6863 0.98 3028282 ChemDiv3_007765 CN(C)c1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A22 compound treatment 0.434 -0.0104 -0.5 0.437 -0.00391 -0.24 -0.5181 -0.9415 3120679 ChemDiv3_007766 COc1ccc(NC(=O)C(NC(=O)C2CCCCC2)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A23 mock treatment 0.44 -0.00444 -0.21 0.434 -0.00691 -0.42 -0.4436 -0.9509 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 A24 mock treatment 0.433 -0.0114 -0.55 0.433 -0.00791 -0.48 -0.7221 -0.9977 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B01 compound treatment 0.46 0.0156 0.74 0.449 0.00809 0.49 0.8692 0.9792 3120680 ChemDiv3_007767 CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc2cccc(C)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B02 compound treatment 0.454 0.00956 0.46 0.452 0.0111 0.67 0.7946 0.9827 3028283 ChemDiv3_007768 O=C(CCc1nc2sc3CCCCc3c2c(=O)[nH]1)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B03 compound treatment 0.46 0.0156 0.74 0.459 0.0181 1.09 1.2949 0.9825 3120681 ChemDiv3_007769 CCOC(=O)N1CCC(CC1)NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B04 compound treatment 0.462 0.0176 0.84 0.45 0.00909 0.55 0.9792 0.9788 3028284 ChemDiv3_007770 CCCn1c(CCNC(=O)c2cccc(C)c2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B05 compound treatment 0.476 0.0316 1.5 0.468 0.0271 1.63 2.2174 0.9992 3120682 ChemDiv3_007771 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B06 compound treatment 0.46 0.0156 0.74 0.481 0.0401 2.41 2.2316 0.8836 3028285 ChemDiv3_007772 C=CCn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B07 compound treatment 0.51 0.0656 3.13 0.508 0.0671 4.04 5.0665 0.992 3120683 ChemDiv3_007773 O=C(NCCSc1c([nH]c2ccccc12)c3ccccc3)c4ccc(cc4)N5C(=O)CCC5=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B08 compound treatment 0.537 0.0926 4.41 0.541 0.1 6.03 7.3815 0.9883 3120684 ChemDiv3_007774 O=C(CSc1oc(nc1S(=O)(=O)c2ccccc2)c3cccs3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B09 compound treatment 0.46 0.0156 0.74 0.455 0.0141 0.85 1.1246 0.9978 3028286 ChemDiv3_007775 Oc1nc(nc(c1C#N)c2ccccc2)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B10 compound treatment 0.455 0.0106 0.5 0.445 0.00409 0.25 0.5303 0.946 3120685 ChemDiv3_007776 Cc1nc2nc(SCC(=O)N3CCC4(CC3)OCCO4)nn2c(C)c1Cc5ccccc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B11 compound treatment 0.501 0.0566 2.7 0.502 0.0611 3.68 4.5076 0.9883 3028287 ChemDiv3_007777 CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B12 compound treatment 0.456 0.0116 0.55 0.45 0.00909 0.55 0.7769 1.0 3120686 ChemDiv3_007778 COc1cccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B13 compound treatment 0.458 0.0136 0.65 0.46 0.0191 1.15 1.2701 0.9629 3028288 ChemDiv3_007779 CN(Cc1ccccc1)C(=O)CNC(=O)Cn2ccc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B14 compound treatment 0.554 0.11 5.22 0.548 0.107 6.45 8.2526 0.9945 3120687 ChemDiv3_007780 O=C(Nc1c(nc2ccccn12)c3cccs3)C(c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B15 compound treatment 0.449 0.00456 0.22 0.442 0.00109 0.07 0.2004 0.8817 3120688 ChemDiv3_007781 CCn1cc(C(=O)N(C)Cc2ccccc2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B16 compound treatment 0.453 0.00856 0.41 0.445 0.00409 0.25 0.4629 0.9708 3028289 ChemDiv3_007782 Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B17 compound treatment 0.46 0.0156 0.74 0.455 0.0141 0.85 1.1246 0.9978 3120689 ChemDiv3_007783 COc1cc2c(cn(CC(C)C)c(=O)c2cc1OC)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B18 compound treatment 0.464 0.0196 0.93 0.465 0.0241 1.45 1.6852 0.9772 3028290 ChemDiv3_007784 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N4CCc5ccccc45)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B19 compound treatment 0.493 0.0486 2.31 0.497 0.0561 3.38 4.0251 0.983 3120690 ChemDiv3_007785 NC(=O)C[n+]1ccn2c(NC3CCCCC3)c(nc2c1)c4ccccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B20 compound treatment 0.449 0.00456 0.22 0.44 -9.06E-4 -0.05 0.1152 0.5138 3028291 ChemDiv3_007786 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B21 compound treatment 0.453 0.00856 0.41 0.453 0.0121 0.73 0.8035 0.9626 3120691 ChemDiv3_007787 COC(CNC(=O)Cc1ccc(cc1)n2c(=O)[nH]c3ccsc3c2=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B22 compound treatment 0.448 0.00356 0.17 0.442 0.00109 0.07 0.1666 0.9149 3120692 ChemDiv3_007788 CCOC(=O)C1CCCN(C1)C(=O)Cc2c([nH]c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B23 mock treatment 0.455 0.0106 0.5 0.452 0.0111 0.67 0.8284 0.9903 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 B24 mock treatment 0.451 0.00656 0.31 0.446 0.00509 0.31 0.4381 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C01 compound treatment 0.453 0.00856 0.41 0.448 0.00709 0.43 0.5906 0.9997 3028292 ChemDiv3_007789 CCN(CC)c1nc(cc(n1)C(F)(F)F)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C02 compound treatment 0.452 0.00756 0.36 0.437 -0.00391 -0.24 0.0886 0.2059 3120693 ChemDiv3_007790 O=C/1C(CC\C1=C/c2ccccc2)C3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C03 compound treatment 0.434 -0.0104 -0.5 0.439 -0.00191 -0.11 -0.433 -0.848 1221975 ChemDiv3_007791 COc1ccc(CN2C(=O)c3ccc(F)cc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C04 compound treatment 0.454 0.00956 0.46 0.449 0.00809 0.49 0.6669 0.9994 3120694 ChemDiv3_007792 O=C/1/C(=C/c2ccc(cc2)N3CCOCC3)/CC\C1=C/c4ccc(cc4)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C05 compound treatment 0.434 -0.0104 -0.5 0.428 -0.0129 -0.78 -0.9013 -0.9768 3028413 ChemDiv3_007793 O=C(CNS(=O)(=O)c1cccs1)NC(c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C06 compound treatment 0.453 0.00856 0.41 0.444 0.00309 0.19 0.4203 0.9369 3120695 ChemDiv3_007794 O=C1/C(=C/c2ccc(cc2)N3CCOCC3)/CCc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C07 compound treatment 0.431 -0.0134 -0.64 0.427 -0.0139 -0.84 -1.045 -0.9913 3028414 ChemDiv3_007795 COc1cc2C(C(N(C)C(=O)c2cc1OC)c3cccs3)C(=O)NCCN(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C08 compound treatment 0.49 0.0456 2.17 0.483 0.0421 2.53 3.3279 0.997 3120696 ChemDiv3_007796 COc1cccc(/C=C/2\CC/C(=C\c3cccc(OC)c3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C09 compound treatment 0.435 -0.00944 -0.45 0.431 -0.00991 -0.6 -0.7399 -0.9903 3120697 ChemDiv3_007797 COc1ccc(cc1)C2C(CC(=O)N2c3ccc(OC)cc3)C(=O)N(C)c4ccc(cc4)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C10 compound treatment 0.584 0.14 6.65 0.591 0.15 9.04 11.0945 0.9887 3028415 ChemDiv3_007798 CCC1C/C(=C\c2ccccc2OC)/C(=O)\C(=C/c3ccccc3OC)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C11 compound treatment 0.449 0.00456 0.22 0.43 -0.0109 -0.66 -0.3105 -0.4489 1164510 ChemDiv3_007799 Cn1c(SCc2ccccc2)nc3c4ccccc4[nH]c3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C12 compound treatment 0.455 0.0106 0.5 0.452 0.0111 0.67 0.8284 0.9903 3028416 ChemDiv3_007800 CN1C/C(=C\c2cc(Br)cs2)/C(=O)\C(=C\c3cc(Br)cs3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C13 compound treatment 0.446 0.00156 0.07 0.442 0.00109 0.07 0.0992 0.9981 1215694 ChemDiv3_007801 CCCSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C14 compound treatment 0.453 0.00856 0.41 0.454 0.0131 0.79 0.8461 0.953 3120698 ChemDiv3_007802 CC(C)/C=C/1\CC/C(=C\c2ccc(Cl)cc2)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C15 compound treatment 0.425 -0.0194 -0.93 0.418 -0.0229 -1.38 -1.6304 -0.9813 3028417 ChemDiv3_007803 Cc1ccc(NCc2nc3ccccc3n2C)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C16 compound treatment 0.476 0.0316 1.5 0.475 0.0341 2.05 2.5154 0.9883 3120699 ChemDiv3_007804 CC1CC(C)CN(C1)S(=O)(=O)c2ccc3oc(C(=O)NC4CCCc5ccccc45)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C17 compound treatment 0.494 0.0496 2.36 0.491 0.0501 3.02 3.8034 0.9927 3028418 ChemDiv3_007805 CCc1ccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C18 compound treatment 0.439 -0.00544 -0.26 0.442 0.00109 0.07 -0.1367 -0.5112 3120700 ChemDiv3_007806 CCc1ccc(NC(=O)C2C(N(C)C(=O)c3ccccc23)c4cccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C19 compound treatment 0.656 0.212 10.09 0.667 0.226 13.61 16.7572 0.9891 3028419 ChemDiv3_007807 CC1C/C(=C\c2ccco2)/C(=O)\C(=C/c3ccco3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C20 compound treatment 0.426 -0.0184 -0.88 0.426 -0.0149 -0.9 -1.2561 -0.9999 3120701 ChemDiv3_007808 CC(C)C(NC(=O)C1CCCCC1)C(=O)N2CCN(CC2)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C21 compound treatment 0.53 0.0856 4.08 0.52 0.0791 4.76 6.2515 0.997 3028420 ChemDiv3_007809 O=C1/C(=C/c2ccco2)/Cc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C22 compound treatment 0.429 -0.0154 -0.74 0.427 -0.0139 -0.84 -1.1124 -0.9979 3120881 ChemDiv3_007810 CC(C)C(NC(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)C(=O)NCC5CCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C23 mock treatment 0.423 -0.0214 -1.02 0.419 -0.0219 -1.32 -1.6553 -0.992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 C24 mock treatment 0.433 -0.0114 -0.55 0.429 -0.0119 -0.72 -0.8924 -0.9909 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D01 compound treatment 0.496 0.0516 2.46 0.485 0.0441 2.65 3.6153 0.9993 3120882 ChemDiv3_007811 CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D02 compound treatment 0.45 0.00556 0.27 0.436 -0.00491 -0.3 -0.0214 -0.0539 3028421 ChemDiv3_007812 CCCn1c(CNC(=O)CC)nc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D03 compound treatment 0.453 0.00856 0.41 0.441 9.38E-5 0.01 0.2926 0.7168 3120883 ChemDiv3_007813 CCc1cccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D04 compound treatment 0.434 -0.0104 -0.5 0.434 -0.00691 -0.42 -0.6459 -0.996 3028422 ChemDiv3_007814 CCCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D05 compound treatment 0.445 5.63E-4 0.03 0.443 0.00209 0.13 0.1081 0.8387 3120884 ChemDiv3_007815 O=C(NCCSc1c[nH]c2ccccc12)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D06 compound treatment 0.445 5.63E-4 0.03 0.442 0.00109 0.07 0.0655 0.9216 3028423 ChemDiv3_007816 COc1cc(cc(OC)c1OC)C(=O)NC(Cc2ccccc2)c3nc4ccccc4[nH]3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D07 compound treatment 0.446 0.00156 0.07 0.445 0.00409 0.25 0.227 0.8814 3120885 ChemDiv3_007817 CC(C)C(=O)NCCSc1c([nH]c2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D08 compound treatment 0.561 0.117 5.56 0.539 0.0981 5.91 8.1054 0.9995 3120886 ChemDiv3_007818 Cc1ccc(cc1)S(=O)(=O)c2nc(oc2SCc3ccccc3F)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D09 compound treatment 0.446 0.00156 0.07 0.441 9.38E-5 0.01 0.0567 0.7585 3028424 ChemDiv3_007819 FC(F)(F)c1nc(nc2CCCCCc12)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D10 compound treatment 0.471 0.0266 1.27 0.468 0.0271 1.63 2.0489 0.9922 3120887 ChemDiv3_007820 CCc1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D11 compound treatment 0.444 -4.37E-4 -0.02 0.447 0.00609 0.37 0.2447 0.6658 3028447 ChemDiv3_007821 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc(NS(=O)(=O)c4cccs4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D12 compound treatment 0.441 -0.00344 -0.16 0.436 -0.00491 -0.3 -0.3248 -0.9613 3120888 ChemDiv3_007822 CCC(C)NC(=O)C1CCC(=O)N(C1c2ccc(OC)cc2)c3cc(OC)c(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D13 compound treatment 0.465 0.0206 0.98 0.45 0.00909 0.55 1.0803 0.9622 3028448 ChemDiv3_007823 O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D14 compound treatment 0.437 -0.00744 -0.35 0.429 -0.0119 -0.72 -0.7576 -0.9473 3120889 ChemDiv3_007824 FC(F)(F)c1cccc(c1)C(=O)Nc2c(nc3ccccn23)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D15 compound treatment 0.452 0.00756 0.36 0.447 0.00609 0.37 0.5144 1.0 3120890 ChemDiv3_007825 CCn1cc(C(=O)NC2CCCC(C)C2C)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D16 compound treatment 0.448 0.00356 0.17 0.444 0.00309 0.19 0.2518 0.9989 3028449 ChemDiv3_007826 Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D17 compound treatment 0.449 0.00456 0.22 0.452 0.0111 0.67 0.6261 0.8913 3120891 ChemDiv3_007827 COC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D18 compound treatment 0.508 0.0636 3.03 0.492 0.0511 3.08 4.3178 1.0 3028450 ChemDiv3_007828 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D19 compound treatment 0.594 0.15 7.13 0.575 0.134 8.07 10.7504 0.9981 3120892 ChemDiv3_007829 Cc1ccc(Nc2c(nc3c[n+](CC(=O)N)ccn23)c4c[nH]c5ccccc45)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D20 compound treatment 0.445 5.63E-4 0.03 0.439 -0.00191 -0.11 -0.0622 -0.5277 3120893 ChemDiv3_007830 COc1cc2[nH]c(=O)n(CCCC(=O)NC3CCCC3)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D21 compound treatment 0.446 0.00156 0.07 0.468 0.0271 1.63 1.2062 0.7386 3028451 ChemDiv3_007831 CC(C)CCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D22 compound treatment 0.437 -0.00744 -0.35 0.44 -9.06E-4 -0.05 -0.2893 -0.8064 3120894 ChemDiv3_007832 CCN(CC)C(=O)Cc1c([nH]c2ccccc12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D23 mock treatment 0.44 -0.00444 -0.21 0.436 -0.00491 -0.3 -0.3585 -0.9866 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 D24 mock treatment 0.442 -0.00244 -0.12 0.436 -0.00491 -0.3 -0.291 -0.9169 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E01 compound treatment 0.445 5.63E-4 0.03 0.434 -0.00691 -0.42 -0.2751 -0.6601 3028452 ChemDiv3_007833 COc1ccc(cc1)c2cc(nc(n2)N3CCOCC3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E02 compound treatment 0.477 0.0326 1.55 0.47 0.0291 1.75 2.3363 0.9982 3120895 ChemDiv3_007834 CN(C)c1ccc(/C=C/2\CCC(C3CCCC3)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E03 compound treatment 0.456 0.0116 0.55 0.448 0.00709 0.43 0.6918 0.9921 1786811 ChemDiv3_007835 CCOC(=O)N1CCN(CC1)C(=O)C2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E04 compound treatment 0.476 0.0316 1.5 0.483 0.0421 2.53 2.856 0.969 3120896 ChemDiv3_007836 CN1CCCc2cc(/C=C/3\CC/C(=C/c4ccc5CCCN(C)c5c4)/C3=O)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E05 compound treatment 0.454 0.00956 0.46 0.452 0.0111 0.67 0.7946 0.9827 3120897 ChemDiv3_007837 Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E06 compound treatment 0.521 0.0766 3.65 0.531 0.0901 5.42 6.4165 0.9814 3028453 ChemDiv3_007838 Brc1ccccc1/C=C/2\Cc3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E07 compound treatment 0.452 0.00756 0.36 0.449 0.00809 0.49 0.5995 0.989 3120898 ChemDiv3_007839 COc1cc2C(C(N(C)C(=O)c2cc1OC)c3cccs3)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E08 compound treatment 0.612 0.168 7.99 0.612 0.171 10.3 12.9324 0.9921 3028454 ChemDiv3_007840 Cc1ccc(/C=C/2\CC/C(=C\c3ccc(C)o3)/C2=O)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E09 compound treatment 0.454 0.00956 0.46 0.448 0.00709 0.43 0.6243 0.9995 3120899 ChemDiv3_007841 CCOC(=O)C(C)Sc1ncnc2[nH]cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E10 compound treatment 0.51 0.0656 3.13 0.516 0.0751 4.52 5.4071 0.9837 3028455 ChemDiv3_007842 COc1ccc(Br)cc1C2CC(=O)C(C)C(N2)c3cc(Br)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E11 compound treatment 0.433 -0.0114 -0.55 0.439 -0.00191 -0.11 -0.4667 -0.8376 1491562 ChemDiv3_007843 COC(=O)C(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E12 compound treatment 0.472 0.0276 1.31 0.463 0.0221 1.33 1.8697 1.0 3120900 ChemDiv3_007844 COc1ccc(/C=C/2\CCC(C3CCCC3)C2=O)cc1Cn4cccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E13 compound treatment 0.568 0.124 5.89 0.563 0.122 7.35 9.3631 0.994 1479023 ChemDiv3_007845 Clc1cccc(c1)n2c(SCC(=O)N3CCCCCC3)nc4c5ccccc5[nH]c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E14 compound treatment 0.515 0.0706 3.36 0.507 0.0661 3.98 5.1924 0.9965 3120901 ChemDiv3_007846 COc1ccc(/C=C/2\CC/C(=C\CC(C)C)/C2=O)cc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E15 compound treatment 0.478 0.0336 1.6 0.479 0.0381 2.29 2.7531 0.9845 3028456 ChemDiv3_007847 Clc1ccc(Cn2c(CNc3ccccc3)nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E16 compound treatment 0.475 0.0306 1.46 0.462 0.0211 1.27 1.9283 0.9977 3120902 ChemDiv3_007848 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3C)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E17 compound treatment 0.495 0.0506 2.41 0.493 0.0521 3.14 3.9222 0.9915 3120903 ChemDiv3_007849 Cc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(=O)O)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E18 compound treatment 0.456 0.0116 0.55 0.447 0.00609 0.37 0.6492 0.9804 3028457 ChemDiv3_007850 COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E19 compound treatment 0.46 0.0156 0.74 0.45 0.00909 0.55 0.9117 0.9888 3120904 ChemDiv3_007851 CC1C/C(=C\c2ccncc2)/C(=O)\C(=C/c3ccncc3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E20 compound treatment 0.467 0.0226 1.08 0.465 0.0241 1.45 1.7863 0.9892 3120905 ChemDiv3_007852 CC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C3CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E21 compound treatment 0.595 0.151 7.18 0.528 0.0871 5.24 8.7831 0.9881 3028458 ChemDiv3_007853 COc1ccc2C(=O)/C(=C\c3ccco3)/CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E22 compound treatment 0.444 -4.37E-4 -0.02 0.443 0.00209 0.13 0.0744 0.5822 3121298 ChemDiv3_007854 CCN1CCCC1CNC(=O)C(NC(=O)c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E23 mock treatment 0.438 -0.00644 -0.31 0.435 -0.00591 -0.36 -0.4685 -0.9973 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 E24 mock treatment 0.446 0.00156 0.07 0.441 9.38E-5 0.01 0.0567 0.7585 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F01 compound treatment 0.515 0.0706 3.36 0.513 0.0721 4.34 5.4479 0.9921 3028459 ChemDiv3_007855 CC(C)CC(NC(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)C(=O)NCc5cccnc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F02 compound treatment 0.457 0.0126 0.6 0.453 0.0121 0.73 0.9383 0.9953 3121092 ChemDiv3_007856 CCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F03 compound treatment 0.464 0.0196 0.93 0.452 0.0111 0.67 1.1317 0.9866 3028460 ChemDiv3_007857 CCCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F04 compound treatment 0.455 0.0106 0.5 0.451 0.0101 0.61 0.7858 0.9956 3121093 ChemDiv3_007858 COc1cc(cc(OC)c1OC)C(=O)NCCc2nc3ccccc3n2CC(=C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F05 compound treatment 0.454 0.00956 0.46 0.444 0.00309 0.19 0.454 0.922 3028487 ChemDiv3_007859 COc1cc(/C=C/C(=O)NCCSc2c[nH]c3ccccc23)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F06 compound treatment 0.454 0.00956 0.46 0.452 0.0111 0.67 0.7946 0.9827 3121094 ChemDiv3_007860 CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc3cccc(C)c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F07 compound treatment 0.529 0.0846 4.03 0.529 0.0881 5.3 6.601 0.9908 3121095 ChemDiv3_007861 Cc1[nH]c2ccccc2c1SCCNC(=O)c3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F08 compound treatment 0.469 0.0246 1.17 0.464 0.0231 1.39 1.8112 0.9963 3028488 ChemDiv3_007862 Clc1ccc(cc1)S(=O)(=O)c2nc(oc2SCC(=O)NC3CCCCC3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F09 compound treatment 0.493 0.0486 2.31 0.488 0.0471 2.84 3.6419 0.9949 3121096 ChemDiv3_007863 FC(F)(F)c1nc(NCc2ccccc2)nc3CCCCCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F10 compound treatment 0.458 0.0136 0.65 0.455 0.0141 0.85 1.0572 0.991 3121097 ChemDiv3_007864 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc(NC(=O)C3CCCO3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F11 compound treatment 0.458 0.0136 0.65 0.454 0.0131 0.79 1.0146 0.9951 3028489 ChemDiv3_007865 COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F12 compound treatment 0.459 0.0146 0.69 0.452 0.0111 0.67 0.9632 0.9998 3121098 ChemDiv3_007866 CCCCN(C)C(=O)C1CCC(=O)N(C1c2ccc(OC)cc2)c3cc(OC)c(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F13 compound treatment 0.463 0.0186 0.88 0.462 0.0211 1.27 1.5238 0.9844 3028490 ChemDiv3_007867 O=C(Cn1ccc2ccccc2c1=O)NCC(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F14 compound treatment 0.443 -0.00144 -0.07 0.443 0.00209 0.13 0.0407 0.2836 3121099 ChemDiv3_007868 Cc1ccn2c(NC(=O)C3CCCCC3)c(nc2c1)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F15 compound treatment 0.45 0.00556 0.27 0.449 0.00809 0.49 0.5321 0.9591 3028491 ChemDiv3_007869 CCn1cc(C(=O)NCc2cccnc2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F16 compound treatment 0.456 0.0116 0.55 0.456 0.0151 0.91 1.0324 0.9713 3121100 ChemDiv3_007870 CCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F17 compound treatment 0.459 0.0146 0.69 0.456 0.0151 0.91 1.1335 0.9912 3121101 ChemDiv3_007871 COc1cc2c(cn(CC(C)C)c(=O)c2cc1OC)C(=O)NCCCN3CCN(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F18 compound treatment 0.513 0.0686 3.27 0.505 0.0641 3.86 5.0399 0.9966 3028492 ChemDiv3_007872 Fc1ccc(CS(=O)(=O)c2cn(Cc3ccccc3Cl)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F19 compound treatment 0.479 0.0346 1.65 0.468 0.0271 1.63 2.3185 1.0 3121102 ChemDiv3_007873 Cc1cccc(C)c1/N=C/2\Oc3ccccc3N(C(=O)C(F)(F)F)C2(C)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F20 compound treatment 0.448 0.00356 0.17 0.45 0.00909 0.55 0.5072 0.8848 3028493 ChemDiv3_007874 COc1cc2[nH]c(=O)n(CCCC(=O)N3CCN(CC3)c4cccc(Cl)c4)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F21 compound treatment 0.453 0.00856 0.41 0.441 9.38E-5 0.01 0.2926 0.7168 3121103 ChemDiv3_007875 O=C(N1CCCCC1)c2ccc(Cn3c(=O)[nH]c4ccsc4c3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F22 compound treatment 0.45 0.00556 0.27 0.448 0.00709 0.43 0.4895 0.9737 3121104 ChemDiv3_007876 CC1CC(C)CN(CCCNC(=O)Cc2c([nH]c3ccccc23)C(=O)O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F23 mock treatment 0.457 0.0126 0.6 0.453 0.0121 0.73 0.9383 0.9953 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 F24 mock treatment 0.447 0.00256 0.12 0.45 0.00909 0.55 0.4735 0.8441 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G01 compound treatment 0.494 0.0496 2.36 0.483 0.0421 2.53 3.4628 0.9994 3028494 ChemDiv3_007877 COc1ccc(cc1)c2cc(nc(n2)N3CCCCCC3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G02 compound treatment 0.474 0.0296 1.41 0.455 0.0141 0.85 1.5965 0.9705 3121105 ChemDiv3_007878 O=C1/C(=C\c2ccccn2)/Cc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G03 compound treatment 0.441 -0.00344 -0.16 0.436 -0.00491 -0.3 -0.3248 -0.9613 1773605 ChemDiv3_007879 CCOc1ccc(OCC)c(NC(=O)C2COc3ccccc3O2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G04 compound treatment 0.942 0.498 23.72 1.014 0.573 34.51 41.171 0.9833 3121106 ChemDiv3_007880 Cn1cccc1/C=C/2\CCc3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G05 compound treatment 0.437 -0.00744 -0.35 0.435 -0.00591 -0.36 -0.5022 -1.0 3121107 ChemDiv3_007881 CCC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc3ccccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G06 compound treatment 0.522 0.0776 3.7 0.523 0.0821 4.94 6.1096 0.9898 3028495 ChemDiv3_007882 CCn1c2ccccc2c3cc(/C=C/4\Cc5ccccc5C4=O)ccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G07 compound treatment 0.489 0.0446 2.12 0.478 0.0371 2.23 3.0814 0.9997 3121108 ChemDiv3_007883 COc1ccccc1Nc2ncc(C(=O)NCCc3ccc(OC)c(OC)c3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G08 compound treatment 0.481 0.0366 1.74 0.469 0.0281 1.69 2.4285 0.9999 3028496 ChemDiv3_007884 CCN1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G09 compound treatment 0.447 0.00256 0.12 0.439 -0.00191 -0.11 0.0052 0.0311 3121109 ChemDiv3_007885 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G10 compound treatment 0.424 -0.0204 -0.97 0.424 -0.0169 -1.02 -1.4087 -0.9998 3121110 ChemDiv3_007886 O=C/1/C(=C/c2ccccn2)/CC(C\C1=C/c3ccccn3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G11 compound treatment 0.512 0.0676 3.22 0.505 0.0641 3.86 5.0061 0.996 1364356 ChemDiv3_007887 CCC1CCCCN1C(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G12 compound treatment 0.477 0.0326 1.55 0.474 0.0331 1.99 2.5066 0.9924 3121111 ChemDiv3_007888 COc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1Cn4cccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G13 compound treatment 0.456 0.0116 0.55 0.454 0.0131 0.79 0.9472 0.9847 1642950 ChemDiv3_007889 NC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G14 compound treatment 0.502 0.0576 2.74 0.489 0.0481 2.9 3.9879 0.9996 3028497 ChemDiv3_007890 CSc1ccc(/C=C/2\CC/C(=C\C(C)C)/C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G15 compound treatment 0.448 0.00356 0.17 0.442 0.00109 0.07 0.1666 0.9149 3121112 ChemDiv3_007891 COc1ccc(NCc2nc3ccccc3n2CCOc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G16 compound treatment 0.443 -0.00144 -0.07 0.441 9.38E-5 0.01 -0.0445 -0.6467 3028498 ChemDiv3_007892 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCCC3)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G17 compound treatment 0.548 0.104 4.94 0.546 0.105 6.33 7.9652 0.9925 3121113 ChemDiv3_007893 Nc1c(sc2[nH]c(=O)c(cc12)C(=O)O)C(=O)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G18 compound treatment 0.451 0.00656 0.31 0.448 0.00709 0.43 0.5232 0.9883 3028499 ChemDiv3_007894 COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)N3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G19 compound treatment 0.488 0.0436 2.08 0.489 0.0481 2.9 3.516 0.9867 3121114 ChemDiv3_007895 COc1cccc(/C=C/2\CN(C)C/C(=C\c3cccc(OC)c3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G20 compound treatment 0.478 0.0336 1.6 0.44 -9.06E-4 -0.05 1.0927 0.6826 3121115 ChemDiv3_007896 CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc2ccc(Br)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G21 compound treatment 0.54 0.0956 4.56 0.537 0.0961 5.79 7.3124 0.993 3028500 ChemDiv3_007897 Cc1ccccc1/C=C/2\Cc3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G22 compound treatment 0.444 -4.37E-4 -0.02 0.438 -0.00291 -0.17 -0.1385 -0.7858 3121116 ChemDiv3_007898 CC(C)C(NC(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5cccc(C)n5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G23 mock treatment 0.437 -0.00744 -0.35 0.434 -0.00691 -0.42 -0.5447 -0.9969 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 G24 mock treatment 0.44 -0.00444 -0.21 0.438 -0.00291 -0.17 -0.2733 -0.9956 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H01 compound treatment 0.458 0.0136 0.65 0.446 0.00509 0.31 0.674 0.9419 3121117 ChemDiv3_007899 COc1cc(NC(=O)C2CCCN2C(=O)C3CCC(C)CC3)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H02 compound treatment 0.437 -0.00744 -0.35 0.434 -0.00691 -0.42 -0.5447 -0.9969 3028537 ChemDiv3_007900 CC(C)n1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H03 compound treatment 0.444 -4.37E-4 -0.02 0.441 9.38E-5 0.01 -0.0108 -0.4978 3121299 ChemDiv3_007901 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCCN2S(=O)(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H04 compound treatment 0.441 -0.00344 -0.16 0.432 -0.00891 -0.54 -0.4951 -0.8829 3121300 ChemDiv3_007902 CCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H05 compound treatment 0.456 0.0116 0.55 0.462 0.0211 1.27 1.2878 0.9302 3028538 ChemDiv3_007903 Cc1ccc(cc1)c2[nH]c3ccccc3c2SCCNC(=O)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H06 compound treatment 0.46 0.0156 0.74 0.462 0.0211 1.27 1.4226 0.9672 3121301 ChemDiv3_007904 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H07 compound treatment 0.563 0.119 5.65 0.447 0.00609 0.37 4.2559 0.7514 3028539 ChemDiv3_007905 CCc1ccc(cc1)C2NC(=O)NC3=C2C(=O)CCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H08 compound treatment 0.442 -0.00244 -0.12 0.434 -0.00691 -0.42 -0.3762 -0.8713 3121302 ChemDiv3_007906 N(c1c(nc2ccccn12)c3ccco3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H09 compound treatment 0.501 0.0566 2.7 0.496 0.0551 3.32 4.2522 0.9947 3028540 ChemDiv3_007907 FC(F)(F)c1nc(NCCc2ccccc2)nc3CCCCCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H10 compound treatment 0.439 -0.00544 -0.26 0.429 -0.0119 -0.72 -0.6902 -0.9054 3121303 ChemDiv3_007908 O=C(Nc1ccc(cc1)C(=O)NCC2COc3ccccc3O2)C4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H11 compound treatment 0.513 0.0686 3.27 0.522 0.0811 4.88 5.7636 0.9809 1521576 ChemDiv3_007909 Clc1ccc(s1)c2cc(C(=O)NCC3CCCO3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H12 compound treatment 0.417 -0.0274 -1.31 0.406 -0.0349 -2.1 -2.411 -0.974 3028541 ChemDiv3_007910 Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H13 compound treatment 0.451 0.00656 0.31 0.446 0.00509 0.31 0.4381 1.0 3121304 ChemDiv3_007911 CCc1ccc(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H14 compound treatment 0.454 0.00956 0.46 0.443 0.00209 0.13 0.4115 0.87 3028542 ChemDiv3_007912 Cc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(nc2c1)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H15 compound treatment 0.444 -4.37E-4 -0.02 0.437 -0.00391 -0.24 -0.1811 -0.7668 3121305 ChemDiv3_007913 CCCCN(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H16 compound treatment 0.516 0.0716 3.41 0.505 0.0641 3.86 5.141 0.9981 3121306 ChemDiv3_007914 CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)sc4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H17 compound treatment 0.476 0.0316 1.5 0.486 0.0451 2.72 2.9838 0.9612 3028543 ChemDiv3_007915 CC(C)c1ccc(Nc2c(nc3cnccn23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H18 compound treatment 0.436 -0.00844 -0.4 0.431 -0.00991 -0.6 -0.7062 -0.9816 3121307 ChemDiv3_007916 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H19 compound treatment 0.554 0.11 5.22 0.558 0.117 7.05 8.6783 0.9891 3028544 ChemDiv3_007917 CCc1cccc(C)c1Nc2c(nc3cnccn23)c4ccsc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H20 compound treatment 0.438 -0.00644 -0.31 0.433 -0.00791 -0.48 -0.5536 -0.9774 3121308 ChemDiv3_007918 CCOc1ccccc1C2NC(=S)NC(c3ccccc3OCC)C24C(=O)NC(=O)NC4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H21 compound treatment 0.439 -0.00544 -0.26 0.432 -0.00891 -0.54 -0.5625 -0.9444 3028545 ChemDiv3_007919 O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H22 compound treatment 0.448 0.00356 0.17 0.44 -9.06E-4 -0.05 0.0815 0.4569 3121309 ChemDiv3_007920 CCc1ccccc1N(C)C(=O)Cc2c([nH]c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H23 mock treatment 0.439 -0.00544 -0.26 0.438 -0.00291 -0.17 -0.307 -0.9817 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 H24 mock treatment 0.442 -0.00244 -0.12 0.438 -0.00291 -0.17 -0.2059 -0.9802 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I01 compound treatment 0.452 0.00756 0.36 0.446 0.00509 0.31 0.4718 0.9968 3121310 ChemDiv3_007921 COc1ccc(cc1)c2cc(nc(NCC3CCCO3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I02 compound treatment 0.616 0.172 8.18 0.595 0.154 9.28 12.3435 0.998 3028546 ChemDiv3_007922 COc1ccccc1/C=C/2\CC/C(=C\c3ccccc3OC)/C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I03 compound treatment 0.456 0.0116 0.55 0.449 0.00809 0.49 0.7343 0.9981 3121311 ChemDiv3_007923 COc1ccc2nc(NC(=O)CNS(=O)(=O)c3cccs3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I04 compound treatment 0.451 0.00656 0.31 0.441 9.38E-5 0.01 0.2252 0.7197 3028547 ChemDiv3_007924 COc1cccc(/C=C/2\CCC(C3CCCC3)C2=O)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I05 compound treatment 0.441 -0.00344 -0.16 0.439 -0.00191 -0.11 -0.197 -0.9848 3121312 ChemDiv3_007925 CN(C1CCCCC1)S(=O)(=O)c2cc(Br)cc3CCN(C(=O)C4CC4)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I06 compound treatment 0.527 0.0826 3.94 0.533 0.0921 5.54 6.7039 0.9859 3121313 ChemDiv3_007926 CC(C)Cc1nn(cc1/C=C/2\Cc3ccccc3C2=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I07 compound treatment 0.444 -4.37E-4 -0.02 0.435 -0.00591 -0.36 -0.2662 -0.7473 3028548 ChemDiv3_007927 COc1ccccc1Nc2ncc(C(=O)NCCCN3CCC(C)CC3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I08 compound treatment 0.581 0.137 6.51 0.564 0.123 7.41 9.8439 0.9979 3121314 ChemDiv3_007928 O=C/1/C(=C/c2ccco2)/CC(C\C1=C/c3ccco3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I09 compound treatment 0.452 0.00756 0.36 0.444 0.00309 0.19 0.3866 0.9528 3028549 ChemDiv3_007929 CCSc1nc2CCSc2c(=O)n1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I10 compound treatment 0.41 -0.0344 -1.64 0.405 -0.0359 -2.16 -2.6895 -0.9908 3121315 ChemDiv3_007930 CC(C)(C)C1C/C(=C\c2ccccn2)/C(=O)\C(=C/c3ccccn3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I11 compound treatment 0.567 0.123 5.84 0.549 0.108 6.51 8.7334 0.9986 1726170 ChemDiv3_007931 O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I12 compound treatment 0.66 0.216 10.28 0.642 0.201 12.11 15.8276 0.9967 3028550 ChemDiv3_007932 CCN(CC)c1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I13 compound treatment 0.494 0.0496 2.36 0.489 0.0481 2.9 3.7182 0.9949 1390633 ChemDiv3_007933 CCOC(=O)C(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I14 compound treatment 0.46 0.0156 0.74 0.464 0.0231 1.39 1.5078 0.9567 3028551 ChemDiv3_007934 CC(C)/C=C/1\CC/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I15 compound treatment 0.441 -0.00344 -0.16 0.433 -0.00791 -0.48 -0.4525 -0.8988 3121316 ChemDiv3_007935 Cn1c(CSC2=NCCN2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I16 compound treatment 0.441 -0.00344 -0.16 0.435 -0.00591 -0.36 -0.3673 -0.9381 3028552 ChemDiv3_007936 CCN(CC)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I17 compound treatment 0.455 0.0106 0.5 0.45 0.00909 0.55 0.7432 0.9991 1495115 ChemDiv3_007937 COc1ccc(cc1)C2NC(C(C)C(=O)C2C)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I18 compound treatment 0.455 0.0106 0.5 0.455 0.0141 0.85 0.9561 0.9689 3121317 ChemDiv3_007938 CCN(CC)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I19 compound treatment 0.538 0.0936 4.46 0.526 0.0851 5.12 6.7766 0.9976 3028587 ChemDiv3_007939 O=C/1/C(=C\c2ccsc2)/CC\C1=C\c3ccsc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I20 compound treatment 0.453 0.00856 0.41 0.448 0.00709 0.43 0.5906 0.9997 3121318 ChemDiv3_007940 CC(C)CC(NC(=O)C1CCCCC1)C(=O)NC2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I21 compound treatment 0.524 0.0796 3.79 0.506 0.0651 3.92 5.4532 0.9999 3028588 ChemDiv3_007941 Fc1ccccc1/C=C/2\Cc3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I22 compound treatment 0.446 0.00156 0.07 0.444 0.00309 0.19 0.1844 0.9191 3121319 ChemDiv3_007942 CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I23 mock treatment 0.446 0.00156 0.07 0.441 9.38E-5 0.01 0.0567 0.7585 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 I24 mock treatment 0.453 0.00856 0.41 0.446 0.00509 0.31 0.5055 0.9901 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J01 compound treatment 0.502 0.0576 2.74 0.492 0.0511 3.08 4.1156 0.9984 3121320 ChemDiv3_007943 CCc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)C3CCC(C)CC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J02 compound treatment 0.436 -0.00844 -0.4 0.44 -9.06E-4 -0.05 -0.323 -0.7957 3028589 ChemDiv3_007944 CCCn1c(nc2ccccc12)C(C)NC(=O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J03 compound treatment 0.519 0.0746 3.55 0.507 0.0661 3.98 5.3273 0.9984 3121696 ChemDiv3_007945 COc1ccc(cc1)c2[nH]c3ccccc3c2SCCNC(=O)c4ccc(OC)c(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J04 compound treatment 0.441 -0.00344 -0.16 0.437 -0.00391 -0.24 -0.2822 -0.9844 3028590 ChemDiv3_007946 CC(=C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J05 compound treatment 0.514 0.0696 3.32 0.511 0.0701 4.22 5.329 0.9929 3121494 ChemDiv3_007947 Cc1[nH]c2ccccc2c1SCCNC(=O)/C=C/c3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J06 compound treatment 0.492 0.0476 2.27 0.489 0.0481 2.9 3.6508 0.9927 3028591 ChemDiv3_007948 Fc1ccc(NC(=O)CSc2oc(nc2S(=O)(=O)c3ccccc3)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J07 compound treatment 0.444 -4.37E-4 -0.02 0.438 -0.00291 -0.17 -0.1385 -0.7858 3121495 ChemDiv3_007949 O=C1CCCC2=C1C(NC(=S)N2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J08 compound treatment 0.42 -0.0244 -1.16 0.422 -0.0189 -1.14 -1.6287 -0.9999 3121496 ChemDiv3_007950 Fc1ccc(Nc2c(nc3ccccn23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J09 compound treatment 0.493 0.0486 2.31 0.481 0.0401 2.41 3.3439 0.9998 3028592 ChemDiv3_007951 COc1ccc(CCNc2nc(c3CC(C)CCc3n2)C(F)(F)F)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J10 compound treatment 0.441 -0.00344 -0.16 0.434 -0.00691 -0.42 -0.4099 -0.9171 3121497 ChemDiv3_007952 COc1ccc(cc1)N2CCN(CCNC(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J11 compound treatment 0.479 0.0346 1.65 0.476 0.0351 2.11 2.6591 0.9924 3121498 ChemDiv3_007953 CC1CCCCC1NC(=O)c2cc(nc3ccccc23)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J12 compound treatment 0.435 -0.00944 -0.45 0.435 -0.00591 -0.36 -0.5696 -0.9932 3028593 ChemDiv3_007954 O=C(Cn1c(=O)sc2ccccc12)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J13 compound treatment 0.442 -0.00244 -0.12 0.431 -0.00991 -0.6 -0.5039 -0.8293 3121499 ChemDiv3_007955 CCn1cc(C(=O)NCCC2=CCCCC2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J14 compound treatment 0.446 0.00156 0.07 0.438 -0.00291 -0.17 -0.0711 -0.3737 3028594 ChemDiv3_007956 Cc1ccn2c(NC(=O)c3ccc(C)c(C)c3)c(nc2c1)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J15 compound treatment 0.443 -0.00144 -0.07 0.437 -0.00391 -0.24 -0.2148 -0.8767 3121500 ChemDiv3_007957 CCn1cc(C(=O)N2CCCCC2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J16 compound treatment 0.436 -0.00844 -0.4 0.435 -0.00591 -0.36 -0.5359 -0.9981 3028595 ChemDiv3_007958 CCCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J17 compound treatment 0.452 0.00756 0.36 0.447 0.00609 0.37 0.5144 1.0 3121501 ChemDiv3_007959 Clc1ccc(cc1)c2nc3cnccn3c2NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J18 compound treatment 0.46 0.0156 0.74 0.459 0.0181 1.09 1.2949 0.9825 3121502 ChemDiv3_007960 COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J19 compound treatment 0.609 0.165 7.84 0.6 0.159 9.58 12.3204 0.9951 3028596 ChemDiv3_007961 NC(=O)C[n+]1ccn2c(NC3CCCCC3)c(nc2c1)c4ccc(cc4)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J20 compound treatment 0.444 -4.37E-4 -0.02 0.446 0.00509 0.31 0.2021 0.6575 3121503 ChemDiv3_007962 Clc1ccc(cc1)C2NC(=S)NC(c3ccc(Cl)cc3)C24C(=O)NC(=O)NC4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J21 compound treatment 0.439 -0.00544 -0.26 0.44 -9.06E-4 -0.05 -0.2219 -0.8376 3121504 ChemDiv3_007963 O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J22 compound treatment 0.438 -0.00644 -0.31 0.438 -0.00291 -0.17 -0.3407 -0.9645 3028597 ChemDiv3_007964 COc1ccc(cc1)N(C)C(=O)Cc2c([nH]c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J23 mock treatment 0.436 -0.00844 -0.4 0.439 -0.00191 -0.11 -0.3656 -0.874 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 J24 mock treatment 0.45 0.00556 0.27 0.449 0.00809 0.49 0.5321 0.9591 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K01 compound treatment 0.49 0.0456 2.17 0.49 0.0491 2.96 3.626 0.9885 3121505 ChemDiv3_007965 COc1ccccc1c2cc(nc(NCc3ccco3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K02 compound treatment 0.545 0.101 4.79 0.534 0.0931 5.61 7.3532 0.997 3028598 ChemDiv3_007966 Cn1cccc1/C=C/2\CC/C(=C\c3cccn3C)/C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K03 compound treatment 0.443 -0.00144 -0.07 0.439 -0.00191 -0.11 -0.1296 -0.9696 3121506 ChemDiv3_007967 O=C(CNS(=O)(=O)c1cccs1)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K04 compound treatment 0.53 0.0856 4.08 0.527 0.0861 5.18 6.5495 0.993 3121507 ChemDiv3_007968 CN1CCCc2cc(/C=C/3\CCC(C4CCCC4)C3=O)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K05 compound treatment 0.506 0.0616 2.93 0.503 0.0621 3.74 4.7188 0.9928 3028599 ChemDiv3_007969 CCc1cccc(NS(=O)(=O)c2cc(Br)cc3CCN(C(=O)C4CC4)c32)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K06 compound treatment 0.468 0.0236 1.12 0.468 0.0271 1.63 1.9477 0.9834 3121508 ChemDiv3_007970 CCn1c2ccccc2c3cc(/C=C/4\CCC(C5CCCC5)C4=O)ccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K07 compound treatment 0.535 0.0906 4.32 0.527 0.0861 5.18 6.7181 0.9959 3028600 ChemDiv3_007971 COc1ccccc1Nc2ncc(C(=O)N(C)c3ccc(Cl)cc3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K08 compound treatment 0.589 0.145 6.89 0.588 0.147 8.86 11.1353 0.9923 3121509 ChemDiv3_007972 COc1ccc(OC)c(/C=C/2\CC(C/C(=C\c3cc(OC)ccc3OC)/C2=O)c4ccccc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K09 compound treatment 0.442 -0.00244 -0.12 0.437 -0.00391 -0.24 -0.2485 -0.9472 3121510 ChemDiv3_007973 CCOc1ccc(cc1)n2c(SCC(=O)NCc3ccco3)nc4CCSc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K10 compound treatment 0.457 0.0126 0.6 0.461 0.0201 1.21 1.2789 0.9474 3028601 ChemDiv3_007974 CCC1C/C(=C\c2sccc2C)/C(=O)\C(=C\c3sccc3C)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K11 compound treatment 0.449 0.00456 0.22 0.444 0.00309 0.19 0.2855 0.997 1415020 ChemDiv3_007975 CCC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K12 compound treatment 0.453 0.00856 0.41 0.45 0.00909 0.55 0.6758 0.9895 3028602 ChemDiv3_007976 Brc1csc(/C=C/2\CCC(C3CCCC3)C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K13 compound treatment 0.472 0.0276 1.31 0.476 0.0351 2.11 2.4232 0.9739 3121511 ChemDiv3_007977 CSC1=NSC2=NC(=O)/C(=C\c3cccs3)/C(=N)N12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K14 compound treatment 0.453 0.00856 0.41 0.456 0.0151 0.91 0.9312 0.9347 3027776 ChemDiv3_007978 CC1CCN(CC1)S(=O)(=O)c2ccc3oc(C(=O)NCCc4ccc(Cl)cc4)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K15 compound treatment 0.445 5.63E-4 0.03 0.436 -0.00491 -0.3 -0.1899 -0.6403 3121512 ChemDiv3_007979 Clc1ccccc1Cn2c(CSC3=NCCN3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K16 compound treatment 0.467 0.0226 1.08 0.449 0.00809 0.49 1.1051 0.9359 3121513 ChemDiv3_007980 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCCC3)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K17 compound treatment 0.503 0.0586 2.79 0.506 0.0651 3.92 4.7454 0.9862 3027777 ChemDiv3_007981 O=C/1/C(=C/c2ccco2)/CN(Cc3ccccc3)C\C1=C/c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K18 compound treatment 0.456 0.0116 0.55 0.451 0.0101 0.61 0.8195 0.9988 3121514 ChemDiv3_007982 CC1CCC(CC1)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCc4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K19 compound treatment 0.445 5.63E-4 0.03 0.442 0.00109 0.07 0.0655 0.9216 3027778 ChemDiv3_007983 O=C/1/C(=C/c2ccc3nccnc3c2)/CCC\C1=C/c4ccc5nccnc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K20 compound treatment 0.44 -0.00444 -0.21 0.444 0.00309 0.19 -0.0179 -0.0634 3121515 ChemDiv3_007984 CC(C)CC(NC(=O)C1CCCCC1)C(=O)N2CCN(CC2)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K21 compound treatment 0.46 0.0156 0.74 0.46 0.0191 1.15 1.3375 0.9775 3027779 ChemDiv3_007985 CCc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K22 compound treatment 0.448 0.00356 0.17 0.453 0.0121 0.73 0.635 0.8492 3121516 ChemDiv3_007986 CC(C)C(NC(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)C(=O)N(C)Cc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K23 mock treatment 0.439 -0.00544 -0.26 0.434 -0.00691 -0.42 -0.4773 -0.9741 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 K24 mock treatment 0.453 0.00856 0.41 0.451 0.0101 0.61 0.7184 0.9812 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L01 compound treatment 0.461 0.0166 0.79 0.452 0.0111 0.67 1.0306 0.9965 3027780 ChemDiv3_007987 Fc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)N3CCN(CC3)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L02 compound treatment 0.457 0.0126 0.6 0.447 0.00609 0.37 0.6829 0.9723 3121517 ChemDiv3_007988 COCC(=O)NC(C)c1nc2ccccc2n1Cc3cc(C)ccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L03 compound treatment 0.474 0.0296 1.41 0.478 0.0371 2.23 2.5757 0.9753 3121518 ChemDiv3_007989 Brc1ccc(cc1)c2[nH]c3ccccc3c2SCCNC(=O)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L04 compound treatment 0.455 0.0106 0.5 0.451 0.0101 0.61 0.7858 0.9956 3027781 ChemDiv3_007990 COc1ccccc1C(=O)NCCCc2nc3ccccc3n2CC(=C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L05 compound treatment 0.45 0.00556 0.27 0.443 0.00209 0.13 0.2766 0.9422 3121519 ChemDiv3_007991 COc1cccc(C(=O)NCCSc2c[nH]c3ccccc23)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L06 compound treatment 0.529 0.0846 4.03 0.524 0.0831 5.0 6.3881 0.9943 3121697 ChemDiv3_007992 CCOc1ccc(NC(=O)CSc2oc(nc2S(=O)(=O)c3ccccc3)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L07 compound treatment 0.442 -0.00244 -0.12 0.446 0.00509 0.31 0.1347 0.4107 3027782 ChemDiv3_007993 CCc1ccc(cc1)C2NC(=O)NC3=C2C(=O)CC(C)(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L08 compound treatment 0.437 -0.00744 -0.35 0.448 0.00709 0.43 0.0513 0.0924 3121698 ChemDiv3_007994 C1CN(CCO1)c2ccc(cc2)c3nc4ccccn4c3Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L09 compound treatment 0.454 0.00956 0.46 0.453 0.0121 0.73 0.8372 0.9746 3027783 ChemDiv3_007995 CC1CCc2nc(nc(c2C1)C(F)(F)F)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L10 compound treatment 0.441 -0.00344 -0.16 0.438 -0.00291 -0.17 -0.2396 -0.9995 3121699 ChemDiv3_007996 CCC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)CCC(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L11 compound treatment 0.566 0.122 5.79 0.572 0.131 7.89 9.6789 0.9885 3027784 ChemDiv3_007997 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L12 compound treatment 0.446 0.00156 0.07 0.44 -9.06E-4 -0.05 0.0141 0.1525 3121700 ChemDiv3_007998 COc1ccc(CC(=O)Nc2c(nc3ccccn23)c4ccc(F)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L13 compound treatment 0.448 0.00356 0.17 0.45 0.00909 0.55 0.5072 0.8848 3121701 ChemDiv3_007999 CCn1cc(C(=O)Nc2cccc(OC)c2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L14 compound treatment 0.432 -0.0124 -0.59 0.433 -0.00791 -0.48 -0.7558 -0.9941 3027785 ChemDiv3_008000 CCC(CC)C(=O)Nc1c(nc2cc(C)ccn12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L15 compound treatment 0.45 0.00556 0.27 0.448 0.00709 0.43 0.4895 0.9737 3121702 ChemDiv3_008001 COc1cc2c(cn(CC(C)C)c(=O)c2cc1OC)C(=O)Nc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L16 compound treatment 0.474 0.0296 1.41 0.474 0.0331 1.99 2.4054 0.9856 3027786 ChemDiv3_008002 Fc1cccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)NC4CCCCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L17 compound treatment 0.518 0.0736 3.51 0.516 0.0751 4.52 5.6767 0.9921 3121703 ChemDiv3_008003 Cc1ccc(o1)c2nc3cnccn3c2NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L18 compound treatment 0.455 0.0106 0.5 0.448 0.00709 0.43 0.6581 0.9966 3121704 ChemDiv3_008004 COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L19 compound treatment 0.52 0.0756 3.6 0.514 0.0731 4.4 5.659 0.9951 3027787 ChemDiv3_008005 COc1ccc(Cl)cc1N2C(=O)C3C(NN(C3C2=O)C(=O)c4ccc(C)cc4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L20 compound treatment 0.449 0.00456 0.22 0.453 0.0121 0.73 0.6687 0.8799 3121705 ChemDiv3_008006 O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L21 compound treatment 0.445 5.63E-4 0.03 0.437 -0.00391 -0.24 -0.1473 -0.6225 3121706 ChemDiv3_008007 CC1CCCCC1NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L22 compound treatment 0.441 -0.00344 -0.16 0.441 9.38E-5 0.01 -0.1119 -0.6823 3027788 ChemDiv3_008008 CNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc3cc(OC)c(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L23 mock treatment 0.451 0.00656 0.31 0.443 0.00209 0.13 0.3103 0.9202 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 L24 mock treatment 0.458 0.0136 0.65 0.448 0.00709 0.43 0.7592 0.9798 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M01 compound treatment 0.462 0.0176 0.84 0.457 0.0161 0.97 1.2772 0.9973 3121707 ChemDiv3_008009 COc1ccc(cc1OC)c2cc(nc(n2)N3CCc4ccccc4C3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M02 compound treatment 0.457 0.0126 0.6 0.453 0.0121 0.73 0.9383 0.9953 3121708 ChemDiv3_008010 CSc1ccc(/C=C/2\CC/C(=C\c3ccc(SC)cc3)/C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M03 compound treatment 0.444 -4.37E-4 -0.02 0.437 -0.00391 -0.24 -0.1811 -0.7668 3027789 ChemDiv3_008011 CCC1CCCCN1S(=O)(=O)c2cc(Br)cc3CCN(C(=O)CC)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M04 compound treatment 0.461 0.0166 0.79 0.466 0.0251 1.51 1.6266 0.9542 3121709 ChemDiv3_008012 CCc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M05 compound treatment 0.489 0.0446 2.12 0.483 0.0421 2.53 3.2942 0.9961 3027790 ChemDiv3_008013 Clc1ccccc1CCNS(=O)(=O)c2cc(Br)cc3CCN(C(=O)C4CC4)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M06 compound treatment 0.512 0.0676 3.22 0.502 0.0611 3.68 4.8784 0.9978 3121710 ChemDiv3_008014 CC(C)Cc1nn(cc1/C=C/2\CCC(C3CCCC3)C2=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M07 compound treatment 0.437 -0.00744 -0.35 0.431 -0.00991 -0.6 -0.6725 -0.9691 3121711 ChemDiv3_008015 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3nc(cc(C)c3c2)N4CCN(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M08 compound treatment 0.629 0.185 8.8 0.623 0.182 10.96 13.9738 0.994 3027791 ChemDiv3_008016 CC(C)(C)C1C/C(=C\c2ccco2)/C(=O)\C(=C/c3ccco3)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M09 compound treatment 0.442 -0.00244 -0.12 0.437 -0.00391 -0.24 -0.2485 -0.9472 3121712 ChemDiv3_008017 CCOC(=O)C(C)(C)Sc1nc2CCSc2c(=O)n1c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M10 compound treatment 0.465 0.0206 0.98 0.459 0.0181 1.09 1.4635 0.9986 3121713 ChemDiv3_008018 COc1ccc(/C=C/2\CC/C(=C\c3ccc(OC)c(Cn4cccn4)c3)/C2=O)cc1Cn5cccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M11 compound treatment 0.458 0.0136 0.65 0.456 0.0151 0.91 1.0998 0.9861 1638612 ChemDiv3_008019 Cc1ccc(cc1)n2c(SCC(=O)N3CCCCC3)nc4c5ccccc5[nH]c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M12 compound treatment 0.5 0.0556 2.65 0.5 0.0591 3.56 4.3888 0.9894 3027839 ChemDiv3_008020 Brc1csc(/C=C/2\CCC/C(=C\c3cc(Br)cs3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M13 compound treatment 0.479 0.0346 1.65 0.471 0.0301 1.81 2.4463 0.9989 3121714 ChemDiv3_008021 CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)/C(=N)N12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M14 compound treatment 0.525 0.0806 3.84 0.518 0.0771 4.64 5.9978 0.9956 3027840 ChemDiv3_008022 CN(C1CCCCC1)S(=O)(=O)c2ccc3oc(C(=O)NCc4ccccc4)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M15 compound treatment 0.442 -0.00244 -0.12 0.441 9.38E-5 0.01 -0.0782 -0.672 3121715 ChemDiv3_008023 CCOc1ccc(cc1)N2C(=O)C(CC(=O)Nc3ccccc3)N(CCN4CCN(C)CC4)C2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M16 compound treatment 0.442 -0.00244 -0.12 0.447 0.00609 0.37 0.1773 0.4606 3027841 ChemDiv3_008024 CC(C)NC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M17 compound treatment 0.452 0.00756 0.36 0.451 0.0101 0.61 0.6847 0.9689 3121716 ChemDiv3_008025 Clc1cccc(/C=C/2\CC/C(=C\c3cccc(Cl)c3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M18 compound treatment 0.475 0.0306 1.46 0.473 0.0321 1.93 2.3966 0.9903 3121717 ChemDiv3_008026 CC1CCC(CC1)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC4CCCCC4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M19 compound treatment 0.446 0.00156 0.07 0.446 0.00509 0.31 0.2695 0.854 3027842 ChemDiv3_008027 CCOc1ccc(/C=C/2\CC/C(=C\c3ccc(OCC)cc3)/C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M20 compound treatment 0.457 0.0126 0.6 0.452 0.0111 0.67 0.8958 0.9985 3121718 ChemDiv3_008028 CCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M21 compound treatment 0.454 0.00956 0.46 0.452 0.0111 0.67 0.7946 0.9827 3027843 ChemDiv3_008029 O=C1/C(=C/c2ccsc2)/Cc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M22 compound treatment 0.45 0.00556 0.27 0.439 -0.00191 -0.11 0.1063 0.368 3121719 ChemDiv3_008030 COc1ccc(cc1OC)S(=O)(=O)N2CCCCC2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M23 mock treatment 0.436 -0.00844 -0.4 0.444 0.00309 0.19 -0.1527 -0.3445 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 M24 mock treatment 0.445 5.63E-4 0.03 0.447 0.00609 0.37 0.2784 0.7568 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N01 compound treatment 0.484 0.0396 1.89 0.463 0.0221 1.33 2.2742 0.9854 3027844 ChemDiv3_008031 COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c3ccc(cc3)C(C)(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N02 compound treatment 0.447 0.00256 0.12 0.435 -0.00591 -0.36 -0.1651 -0.439 3121720 ChemDiv3_008032 CCC(=O)NC(C)c1nc2ccccc2n1CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N03 compound treatment 0.533 0.0886 4.22 0.526 0.0851 5.12 6.6081 0.9954 3121721 ChemDiv3_008033 COc1ccc(CC(=O)NCCSc2c([nH]c3ccccc23)c4ccccc4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N04 compound treatment 0.441 -0.00344 -0.16 0.429 -0.0119 -0.72 -0.6228 -0.8469 3027845 ChemDiv3_008034 COc1ccccc1C(=O)NCCCc2nc3ccccc3[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N05 compound treatment 0.443 -0.00144 -0.07 0.443 0.00209 0.13 0.0407 0.2836 3121722 ChemDiv3_008035 CCC(=O)NCCSc1c[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N06 compound treatment 0.442 -0.00244 -0.12 0.442 0.00109 0.07 -0.0356 -0.2665 3122110 ChemDiv3_008036 Clc1ccc(cc1)S(=O)(=O)c2nc(oc2SCC(=O)NCC3CCCO3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N07 compound treatment 0.46 0.0156 0.74 0.454 0.0131 0.79 1.082 0.9995 3027846 ChemDiv3_008037 Nc1n[nH]c2nc(nc(c3ccccc3)c12)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N08 compound treatment 0.432 -0.0124 -0.59 0.427 -0.0139 -0.84 -1.0113 -0.9857 3121904 ChemDiv3_008038 CCCNC(=O)CSc1nc2nc(C)c(Cc3cccc(C)c3)c(C)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N09 compound treatment 0.481 0.0366 1.74 0.474 0.0331 1.99 2.6414 0.9978 3027847 ChemDiv3_008039 Brc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c3cccs3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N10 compound treatment 0.51 0.0656 3.13 0.492 0.0511 3.08 4.3853 1.0 3121905 ChemDiv3_008040 Clc1ccc(cc1)n2cc(nc2S(=O)(=O)CC(=O)Nc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N11 compound treatment 0.569 0.125 5.94 0.566 0.125 7.53 9.5245 0.9931 3121906 ChemDiv3_008041 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCCC2)c3cc(nc4ccccc34)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N12 compound treatment 0.528 0.0836 3.98 0.51 0.0691 4.16 5.7583 0.9998 3027848 ChemDiv3_008042 Fc1ccc(cc1)c2nc3ccccn3c2NC(=O)COc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N13 compound treatment 0.444 -4.37E-4 -0.02 0.441 9.38E-5 0.01 -0.0108 -0.4978 3121907 ChemDiv3_008043 CCC(C)NC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N14 compound treatment 0.425 -0.0194 -0.93 0.423 -0.0179 -1.08 -1.4175 -0.9972 3027849 ChemDiv3_008044 CCC(C(=O)Nc1c(nc2cc(C)ccn12)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N15 compound treatment 0.443 -0.00144 -0.07 0.434 -0.00691 -0.42 -0.3425 -0.8127 3121908 ChemDiv3_008045 COc1cc2c(cn(CC(C)C)c(=O)c2cc1OC)C(=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N16 compound treatment 0.51 0.0656 3.13 0.502 0.0611 3.68 4.811 0.9967 3121909 ChemDiv3_008046 Cc1ccccc1Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N17 compound treatment 0.574 0.13 6.18 0.558 0.117 7.05 9.3525 0.9978 3027850 ChemDiv3_008047 Cc1ccccc1Nc2c(nc3c[n+](CC(=O)N)ccn23)c4ccsc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N18 compound treatment 0.486 0.0416 1.98 0.48 0.0391 2.35 3.0654 0.9963 3121910 ChemDiv3_008048 CCC(C)NC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N19 compound treatment 0.461 0.0166 0.79 0.468 0.0271 1.63 1.7118 0.9445 3027851 ChemDiv3_008049 Cc1cccc(N2CCN(CC2)C(=O)Cc3ccc(cc3)n4c(=O)[nH]c5ccsc5c4=O)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N20 compound treatment 0.476 0.0316 1.5 0.466 0.0251 1.51 2.1323 1.0 3121911 ChemDiv3_008050 CCc1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N21 compound treatment 0.436 -0.00844 -0.4 0.443 0.00209 0.13 -0.1953 -0.4633 3121912 ChemDiv3_008051 Cc1ccc(CCNC(=O)C2CCC(Cn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N22 compound treatment 0.513 0.0686 3.27 0.514 0.0731 4.4 5.423 0.9893 3027852 ChemDiv3_008052 COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)NC4CCCCC4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N23 mock treatment 0.449 0.00456 0.22 0.437 -0.00391 -0.24 -0.0125 -0.0391 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 N24 mock treatment 0.448 0.00356 0.17 0.439 -0.00191 -0.11 0.0389 0.1899 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O01 compound treatment 0.451 0.00656 0.31 0.442 0.00109 0.07 0.2678 0.8376 3121913 ChemDiv3_008053 COc1ccc(cc1OC)c2cc(nc(NC(C)c3ccccc3)n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O02 compound treatment 0.749 0.305 14.52 0.747 0.306 18.43 23.2979 0.993 3027853 ChemDiv3_008054 CC1C/C(=C\c2cccn2C)/C(=O)\C(=C/c3cccn3C)\C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O03 compound treatment 0.451 0.00656 0.31 0.442 0.00109 0.07 0.2678 0.8376 3121914 ChemDiv3_008055 CCCNS(=O)(=O)c1cc(Br)cc2CCN(C(=O)CC)c21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O04 compound treatment 0.581 0.137 6.51 0.556 0.115 6.93 9.5033 0.9995 3121915 ChemDiv3_008056 COc1cc(/C=C/2\CCc3ccccc3C2=O)ccc1OCCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O05 compound treatment 0.451 0.00656 0.31 0.443 0.00209 0.13 0.3103 0.9202 3027854 ChemDiv3_008057 CCN(c1ccc(C)c(C)c1)S(=O)(=O)c2cc(Br)cc3CC(C)N(C(=O)C)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O06 compound treatment 0.491 0.0466 2.22 0.486 0.0451 2.72 3.4894 0.995 3121916 ChemDiv3_008058 Cc1cc(/C=C/2\CCC(C3CCCC3)C2=O)c(C)n1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O07 compound treatment 0.424 -0.0204 -0.97 0.42 -0.0209 -1.26 -1.579 -0.992 3121917 ChemDiv3_008059 CN1CCN(CC1)c2cc(C)c3cc(NC(=O)C4CCC(CC4)C(C)(C)C)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O08 compound treatment 0.564 0.12 5.7 0.551 0.11 6.63 8.7174 0.9972 3121918 ChemDiv3_008060 COc1cccc(/C=C/2\CC(C/C(=C/c3cccc(OC)c3OC)/C2=O)C(C)(C)C)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O09 compound treatment 0.451 0.00656 0.31 0.45 0.00909 0.55 0.6084 0.9647 3027902 ChemDiv3_008061 Clc1ccc(cc1)n2c(SCC(=O)Nc3nccs3)nc4CCSc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O10 compound treatment 0.536 0.0916 4.36 0.537 0.0961 5.79 7.1775 0.9903 3121919 ChemDiv3_008062 Fc1ccc(/C=C/2\CCC/C(=C\c3ccc(F)c(F)c3)/C2=O)cc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O11 compound treatment 0.457 0.0126 0.6 0.458 0.0171 1.03 1.1512 0.9668 1129536 ChemDiv3_008063 CCCSc1nc2c3ccccc3[nH]c2c(=O)n1c4cc(C)cc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O12 compound treatment 0.468 0.0236 1.12 0.464 0.0231 1.39 1.7774 0.9944 3121920 ChemDiv3_008064 CN1C/2CCC1/C(=C/c3ccccc3)/C(=O)\C2=C\c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O13 compound treatment 0.438 -0.00644 -0.31 0.434 -0.00691 -0.42 -0.511 -0.9888 1241030 ChemDiv3_008065 COc1ccc(cc1)C(O)C(Nc2ccccc2)c3nc4ccccc4n3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O14 compound treatment 0.516 0.0716 3.41 0.52 0.0791 4.76 5.7796 0.9866 3027903 ChemDiv3_008066 CN(C1CCCCC1)S(=O)(=O)c2ccc3oc(C(=O)NC4CCCC4)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O15 compound treatment 0.445 5.63E-4 0.03 0.445 0.00409 0.25 0.1933 0.7794 3121921 ChemDiv3_008067 CCN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)N(CCNC(=O)C)C1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O16 compound treatment 0.445 5.63E-4 0.03 0.448 0.00709 0.43 0.321 0.75 3027904 ChemDiv3_008068 CN(Cc1ccccc1)C(=O)C2C(N(C)C(=O)c3ccccc23)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O17 compound treatment 0.478 0.0336 1.6 0.477 0.0361 2.17 2.668 0.9887 3121922 ChemDiv3_008069 O=C/1/C(=C/c2cccnc2)/CC\C1=C/c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O18 compound treatment 0.468 0.0236 1.12 0.457 0.0161 0.97 1.4794 0.9973 3121923 ChemDiv3_008070 CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O19 compound treatment 0.514 0.0696 3.32 0.513 0.0721 4.34 5.4142 0.9912 3027905 ChemDiv3_008071 Brc1ccc(/C=C\2/CC\C(=C\c3ccc(Br)o3)\C2=O)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O20 compound treatment 0.444 -4.37E-4 -0.02 0.45 0.00909 0.55 0.3724 0.6797 3121924 ChemDiv3_008072 CC(C)CC(NC(=O)C1CCCCC1)C(=O)NCc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O21 compound treatment 0.449 0.00456 0.22 0.452 0.0111 0.67 0.6261 0.8913 3027906 ChemDiv3_008073 CN1CCCc2cc(/C=C/3\Cc4ccccc4C3=O)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O22 compound treatment 0.452 0.00756 0.36 0.449 0.00809 0.49 0.5995 0.989 1198561 ChemDiv3_008074 OC(=O)C1CCCCN1S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O23 mock treatment 0.438 -0.00644 -0.31 0.436 -0.00491 -0.3 -0.4259 -0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 O24 mock treatment 0.449 0.00456 0.22 0.447 0.00609 0.37 0.4132 0.9688 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P01 compound treatment 0.458 0.0136 0.65 0.439 -0.00191 -0.11 0.376 0.5726 3121925 ChemDiv3_008075 CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P02 compound treatment 0.453 0.00856 0.41 0.449 0.00809 0.49 0.6332 0.9961 3027907 ChemDiv3_008076 CCCC(=O)NCCc1nc2ccccc2n1CCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P03 compound treatment 0.537 0.0926 4.41 0.537 0.0961 5.79 7.2112 0.9911 3121926 ChemDiv3_008077 COc1ccc(cc1)c2[nH]c3ccccc3c2SCCNC(=O)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P04 compound treatment 0.45 0.00556 0.27 0.445 0.00409 0.25 0.3618 0.9993 3027908 ChemDiv3_008078 Cn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P05 compound treatment 0.455 0.0106 0.5 0.45 0.00909 0.55 0.7432 0.9991 3121927 ChemDiv3_008079 Cc1[nH]c2ccccc2c1SCCNC(=O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P06 compound treatment 0.485 0.0406 1.93 0.48 0.0391 2.35 3.0317 0.9952 3121928 ChemDiv3_008080 Cc1ccc(cc1)c2nc(c(SCC(=O)N)o2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P07 compound treatment 0.455 0.0106 0.5 0.447 0.00609 0.37 0.6155 0.9879 3027909 ChemDiv3_008081 CC(C)c1ccc(cc1)c2nc(nc3nn4c(C)cc(C)nc4c23)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P08 compound treatment 0.477 0.0326 1.55 0.474 0.0331 1.99 2.5066 0.9924 3122111 ChemDiv3_008082 CC1CCCC(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4Cl)c(C)n3n2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P09 compound treatment 0.456 0.0116 0.55 0.452 0.0111 0.67 0.8621 0.9954 3027910 ChemDiv3_008083 CC1CCCN(C1)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P10 compound treatment 0.441 -0.00344 -0.16 0.437 -0.00391 -0.24 -0.2822 -0.9844 3122112 ChemDiv3_008084 CC(=O)NC1=NN(C(S1)/C=C/c2ccccc2)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P11 compound treatment 0.515 0.0706 3.36 0.514 0.0731 4.4 5.4904 0.9912 3122113 ChemDiv3_008085 O=C(NCCN1CCCc2ccccc12)c3cc(nc4ccccc34)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P12 compound treatment 0.443 -0.00144 -0.07 0.437 -0.00391 -0.24 -0.2148 -0.8767 3027911 ChemDiv3_008086 Fc1ccc(cc1)c2nc3ccccn3c2NC(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P13 compound treatment 0.45 0.00556 0.27 0.454 0.0131 0.79 0.745 0.8956 3122114 ChemDiv3_008087 CCn1cc(C(=O)N(C)C2CCCCC2)c3cc(OC)c(OC)cc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P14 compound treatment 0.441 -0.00344 -0.16 0.441 9.38E-5 0.01 -0.1119 -0.6823 3027912 ChemDiv3_008088 COc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P15 compound treatment 0.45 0.00556 0.27 0.454 0.0131 0.79 0.745 0.8956 3122115 ChemDiv3_008089 COc1ccc(CCNC(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P16 compound treatment 0.447 0.00256 0.12 0.444 0.00309 0.19 0.2181 0.9791 3027913 ChemDiv3_008090 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P17 compound treatment 0.482 0.0376 1.79 0.476 0.0351 2.11 2.7603 0.9966 3122116 ChemDiv3_008091 COc1ccc(Nc2c(nc3cnccn23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P18 compound treatment 0.46 0.0156 0.74 0.455 0.0141 0.85 1.1246 0.9978 3122117 ChemDiv3_008092 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P19 compound treatment 0.493 0.0486 2.31 0.486 0.0451 2.72 3.5568 0.9969 3027914 ChemDiv3_008093 Clc1ccc(CNC(=O)c2ccc(Cn3c(=O)[nH]c4ccsc4c3=O)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P20 compound treatment 0.458 0.0136 0.65 0.448 0.00709 0.43 0.7592 0.9798 3122118 ChemDiv3_008094 OC(=O)c1[nH]c2ccccc2c1CC(=O)N3CCN(CC3)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P21 compound treatment 0.456 0.0116 0.55 0.458 0.0171 1.03 1.1175 0.9572 3027915 ChemDiv3_008095 Cc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P22 compound treatment 0.52 0.0756 3.6 0.555 0.114 6.87 7.4045 0.9546 3122119 ChemDiv3_008096 COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc4cccc(C)c4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P23 mock treatment 0.456 0.0116 0.55 0.443 0.00209 0.13 0.4789 0.847 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2023 P24 mock treatment 0.452 0.00756 0.36 0.453 0.0121 0.73 0.7698 0.9474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A01 compound treatment 0.462 0.0255 1.21 0.437 -0.00416 -0.25 0.6815 0.5498 3122120 ChemDiv3_008097 CCNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc3ccc4c(C)cc(=O)oc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A02 compound treatment 0.447 0.0105 0.5 0.45 0.00884 0.53 0.7294 0.9995 3027916 ChemDiv3_008098 COc1ccc(cc1OC)c2csc3ncc(c(=O)n23)S(=O)(=O)c4ccc(F)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A03 compound treatment 0.428 -0.00853 -0.41 0.441 -1.56E-4 -0.01 -0.2942 -0.7233 3122121 ChemDiv3_008099 Cc1sc2n(CC(=O)NC3CCCCC3)c(=O)n(c4ccc(Cl)cc4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A04 compound treatment 0.528 0.0915 4.36 0.547 0.106 6.37 7.5895 0.9829 1870274 ChemDiv3_008100 Fc1ccc(cc1)C2CC(=Nc3nc(cn23)c4ccccc4)c5ccc(Cl)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A05 compound treatment 0.437 4.69E-4 0.02 0.439 -0.00216 -0.13 -0.076 -0.5769 3122122 ChemDiv3_008101 O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A06 compound treatment 0.434 -0.00253 -0.12 0.434 -0.00716 -0.43 -0.39 -0.8716 3027917 ChemDiv3_008102 CC(C)CC1CC(=O)NC(=N1)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A07 compound treatment 0.454 0.0175 0.83 0.465 0.0238 1.44 1.604 0.9664 3122123 ChemDiv3_008103 Nc1c(nnn1c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A08 compound treatment 0.454 0.0175 0.83 0.451 0.00984 0.59 1.0079 0.9861 3027963 ChemDiv3_008104 CCN(c1ccccc1)S(=O)(=O)c2ccc(CC(C)C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A09 compound treatment 0.502 0.0655 3.12 0.472 0.0308 1.86 3.52 0.9693 3122124 ChemDiv3_008105 CCN(c1ccccc1)c2nc3ccsc3c(=O)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A10 compound treatment 0.444 0.00747 0.36 0.442 8.44E-4 0.05 0.2877 0.7999 3027964 ChemDiv3_008106 C=CCNS(=O)(=O)c1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A11 compound treatment 0.536 0.0995 4.74 0.536 0.0948 5.71 7.3908 0.9957 3122125 ChemDiv3_008107 COC(=O)c1sccc1NC(=S)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A12 compound treatment 0.487 0.0505 2.41 0.478 0.0368 2.22 3.2698 0.9992 1255510 ChemDiv3_008108 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc(Cl)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A13 compound treatment 0.435 -0.00153 -0.07 0.442 8.44E-4 0.05 -0.0157 -0.1765 3122126 ChemDiv3_008109 COc1ccc(cc1)N2CCN(CCCn3c(NN)nc4ccsc4c3=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A14 compound treatment 0.447 0.0105 0.5 0.44 -0.00116 -0.07 0.3036 0.6026 3122127 ChemDiv3_008110 COc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(cc23)S(=O)(=O)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A15 compound treatment 0.445 0.00847 0.4 0.436 -0.00516 -0.31 0.0659 0.1295 3027965 ChemDiv3_008111 COc1ccc(Cl)cc1NC2=NC3CS(=O)(=O)CC3S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A16 compound treatment 0.438 0.00147 0.07 0.438 -0.00316 -0.19 -0.0849 -0.4191 3122128 ChemDiv3_008112 CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCOCC3)ccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A17 compound treatment 0.434 -0.00253 -0.12 0.432 -0.00916 -0.55 -0.4751 -0.8419 3027966 ChemDiv3_008113 CCOC(=O)C1=C(Cn2nnc(C(=O)OC)c2C(=O)OC)NC(=O)NC1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A18 compound treatment 0.44 0.00347 0.17 0.436 -0.00516 -0.31 -0.1026 -0.2917 3122129 ChemDiv3_008114 CCN(CC)c1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A19 compound treatment 0.431 -0.00553 -0.26 0.432 -0.00916 -0.55 -0.5763 -0.943 3122130 ChemDiv3_008115 COc1cc2nc(n3nc(C)cc3C)n4nc(nc4c2cc1OC)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A20 compound treatment 0.429 -0.00753 -0.36 0.436 -0.00516 -0.31 -0.4734 -0.9974 3027967 ChemDiv3_008116 Cc1nc2c(cnn2c(O)c1Cc3ccccc3F)C(=O)NC4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A21 compound treatment 0.431 -0.00553 -0.26 0.423 -0.0182 -1.09 -0.9594 -0.8532 3122131 ChemDiv3_008117 O=c1oc2ccccc2cc1c3nc(no3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A22 compound treatment 0.432 -0.00453 -0.22 0.431 -0.0102 -0.61 -0.5851 -0.9022 3027968 ChemDiv3_008118 CN(c1cccc(C)c1)S(=O)(=O)c2ccc3NC(=O)CCc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A23 mock treatment 0.431 -0.00553 -0.26 0.429 -0.0122 -0.73 -0.704 -0.9049 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 A24 mock treatment 0.428 -0.00853 -0.41 0.434 -0.00716 -0.43 -0.5922 -0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B01 compound treatment 0.456 0.0195 0.93 0.45 0.00884 0.53 1.0328 0.9652 3122132 ChemDiv3_008119 CCCNS(=O)(=O)c1cccc2cccnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B02 compound treatment 0.443 0.00647 0.31 0.448 0.00684 0.41 0.5094 0.9898 3122133 ChemDiv3_008120 O=C(Nc1cccnc1)c2noc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B03 compound treatment 0.452 0.0155 0.74 0.464 0.0228 1.38 1.494 0.9573 3027969 ChemDiv3_008121 Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B04 compound treatment 0.525 0.0885 4.22 0.552 0.111 6.67 7.7012 0.9755 3122134 ChemDiv3_008122 CCCNC(=O)c1noc-2c1CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B05 compound treatment 0.439 0.00247 0.12 0.446 0.00484 0.29 0.2894 0.9203 3122135 ChemDiv3_008123 FC(F)(F)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B06 compound treatment 0.445 0.00847 0.4 0.446 0.00484 0.29 0.4917 0.9873 3027970 ChemDiv3_008124 COCC(C)NC(=O)c1noc-2c1CCc3cc(OC)ccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B07 compound treatment 0.445 0.00847 0.4 0.453 0.0118 0.71 0.7897 0.9637 3122136 ChemDiv3_008125 Fc1ccc(cc1)c2cc(no2)C(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B08 compound treatment 0.458 0.0215 1.02 0.469 0.0278 1.68 1.9091 0.972 3122137 ChemDiv3_008126 CCc1ccc(NC(=O)CCC(=O)Nc2ccc3nc(cc(C)c3c2)N4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B09 compound treatment 0.45 0.0135 0.64 0.455 0.0138 0.83 1.0434 0.9917 3027971 ChemDiv3_008127 COc1ccc(cc1)c2cc(no2)C(=O)N3CCN(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B10 compound treatment 0.483 0.0465 2.22 0.49 0.0488 2.94 3.6459 0.9902 3027972 ChemDiv3_008128 COc1ccc(cc1)c2cn(c3ccc(Br)cc3)c(=O)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B11 compound treatment 0.507 0.0705 3.36 0.493 0.0518 3.12 4.5826 0.9993 3122534 ChemDiv3_008129 COc1ccccc1c2cc(no2)C(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B12 compound treatment 0.454 0.0175 0.83 0.456 0.0148 0.89 1.2208 0.9994 3122319 ChemDiv3_008130 CCC(C)NC(=O)c1cn(CCOC)c(=O)c2n(C)c3ccccc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B13 compound treatment 0.48 0.0435 2.07 0.488 0.0468 2.82 3.4596 0.9885 3027973 ChemDiv3_008131 O=C(NC1CCCCC1)c2cc(on2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B14 compound treatment 0.461 0.0245 1.17 0.464 0.0228 1.38 1.7974 0.9966 3122320 ChemDiv3_008132 Cc1cccc(C)c1Nc2c(nc3[nH]cnn23)c4cc(Br)ccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B15 compound treatment 0.451 0.0145 0.69 0.452 0.0108 0.65 0.9494 0.9996 3027974 ChemDiv3_008133 COCC(C)NC(=O)c1cc(on1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B16 compound treatment 0.448 0.0115 0.55 0.455 0.0138 0.83 0.976 0.9791 3122321 ChemDiv3_008134 O=C(C1C2N(CCc3ccccc23)C(=O)c4ccccc14)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B17 compound treatment 0.506 0.0695 3.31 0.501 0.0598 3.6 4.8895 0.9991 3027975 ChemDiv3_008135 Oc1ccccc1c2cc(no2)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B18 compound treatment 0.45 0.0135 0.64 0.448 0.00684 0.41 0.7454 0.977 3122322 ChemDiv3_008136 Cc1ccc(cc1)n2c(=O)n(CC(=O)N(CC=C)c3ccccc3)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B19 compound treatment 0.449 0.0125 0.59 0.453 0.0118 0.71 0.9245 0.9959 3027976 ChemDiv3_008137 O=C(N1CCc2ccccc2C1)c3cc(on3)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B20 compound treatment 0.456 0.0195 0.93 0.462 0.0208 1.25 1.5437 0.989 3122323 ChemDiv3_008138 CCOC(=O)c1ccccc1NC(=O)Cn2c(=O)n(c3cc(C)cc(C)c3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B21 compound treatment 0.453 0.0165 0.79 0.455 0.0138 0.83 1.1445 0.9996 3027977 ChemDiv3_008139 CC(C)Cc1cc(no1)C(=O)NCc2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B22 compound treatment 0.448 0.0115 0.55 0.453 0.0118 0.71 0.8908 0.9914 3122324 ChemDiv3_008140 CCC(C)NC(=O)Cn1c(=O)n(CC(=O)NCc2ccc(C)cc2)c(=O)c3sccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B23 mock treatment 0.443 0.00647 0.31 0.449 0.00784 0.47 0.552 0.9787 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 B24 mock treatment 0.442 0.00547 0.26 0.443 0.00184 0.11 0.2628 0.9276 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C01 compound treatment 0.427 -0.00953 -0.45 0.424 -0.0172 -1.03 -1.0517 -0.932 3027978 ChemDiv3_008141 COc1cc2CCN(C(COc3ccc4c(C)cc(=O)oc4c3)c2cc1OC)C(=O)C5CC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C02 compound treatment 0.461 0.0245 1.17 0.461 0.0198 1.19 1.6696 0.9999 3122325 ChemDiv3_008142 O=c1n(CCc2c[nH]c3ccccc23)c(=S)[nH]c4nccnc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C03 compound treatment 0.653 0.216 10.32 0.724 0.283 17.03 19.3386 0.9712 1228727 ChemDiv3_008143 Nc1c(oc2ccccc12)C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C04 compound treatment 0.426 -0.0105 -0.5 0.434 -0.00716 -0.43 -0.6597 -0.9971 1226922 ChemDiv3_008144 CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C05 compound treatment 0.419 -0.0175 -0.84 0.429 -0.0122 -0.73 -1.1085 -0.9978 3122326 ChemDiv3_008145 Fc1ccc(cc1)N2CCN(CCCNC(=O)c3cccn4c(=O)c5ccccc5nc34)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C06 compound treatment 0.532 0.0955 4.55 0.533 0.0918 5.53 7.1283 0.9953 3027979 ChemDiv3_008146 O=C(Nc1ccc(Oc2ccccc2)cc1)c3ccc(Cn4c(=O)[nH]c5ccsc5c4=O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C07 compound treatment 0.483 0.0465 2.22 0.48 0.0388 2.34 3.2201 0.9996 3122327 ChemDiv3_008147 CCOC(=O)c1c(NC(=O)NCc2ccccc2)sc3CCCc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C08 compound treatment 0.506 0.0695 3.31 0.509 0.0678 4.08 5.2301 0.9946 3122328 ChemDiv3_008148 CC(C)Cc1ccc(cc1)S(=O)(=O)N2C(C)CCc3ccc(F)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C09 compound treatment 0.449 0.0125 0.59 0.451 0.00984 0.59 0.8394 1.0 3122329 ChemDiv3_008149 Clc1ccc(cc1)N2CCN(CC2)c3nc4ccsc4c(=O)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C10 compound treatment 0.428 -0.00853 -0.41 0.428 -0.0132 -0.79 -0.8477 -0.952 3027767 ChemDiv3_008150 O=S(=O)(c1cccs1)n2ccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C11 compound treatment 0.421 -0.0155 -0.74 0.423 -0.0182 -1.09 -1.2965 -0.982 3027768 ChemDiv3_008151 O=C(Nn1c(=O)[nH]c2ccsc2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C12 compound treatment 0.427 -0.00953 -0.45 0.435 -0.00616 -0.37 -0.5834 -0.9949 3122330 ChemDiv3_008152 CC(C)NS(=O)(=O)c1ccc(Cl)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C13 compound treatment 0.426 -0.0105 -0.5 0.429 -0.0122 -0.73 -0.8725 -0.9831 3122331 ChemDiv3_008153 Cc1nc2c3ccccc3nc(NN4C(=O)CCC4=O)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C14 compound treatment 0.426 -0.0105 -0.5 0.428 -0.0132 -0.79 -0.9151 -0.9758 3027812 ChemDiv3_008154 CCN(c1cccc(C)c1)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C15 compound treatment 0.47 0.0335 1.6 0.46 0.0188 1.13 1.9304 0.986 3122332 ChemDiv3_008155 O=C(Nc1ccccc1)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C16 compound treatment 0.442 0.00547 0.26 0.432 -0.00916 -0.55 -0.2055 -0.337 3027813 ChemDiv3_008156 CC1(C)CC(=O)c2cc(OCC(=O)NCc3ccccc3)ccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C17 compound treatment 0.45 0.0135 0.64 0.448 0.00684 0.41 0.7454 0.977 3122333 ChemDiv3_008157 O=C(NCc1ccccc1)C2CCCN(C2)c3nc4ccsc4c(=O)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C18 compound treatment 0.426 -0.0105 -0.5 0.427 -0.0142 -0.85 -0.9577 -0.9681 3027815 ChemDiv3_008158 CCCn1cnc2cc(NCc3ccccc3O)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C19 compound treatment 0.431 -0.00553 -0.26 0.426 -0.0152 -0.91 -0.8317 -0.8756 3122334 ChemDiv3_008159 Cc1ccc(cc1)c2nnn3c2[nH]c(=O)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C20 compound treatment 0.424 -0.0125 -0.6 0.427 -0.0142 -0.85 -1.0251 -0.9849 3122335 ChemDiv3_008160 CCOC(=O)C1CCCN(C1)C(=O)c2cnn3c(O)c(Cc4ccc(Cl)cc4)c(C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C21 compound treatment 0.421 -0.0155 -0.74 0.417 -0.0242 -1.45 -1.552 -0.9509 3027818 ChemDiv3_008161 COc1ccc(cc1)c2noc(n2)c/3cc4ccccc4o\c3=N/c5ccc(NC(=O)C)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C22 compound treatment 0.424 -0.0125 -0.6 0.424 -0.0172 -1.03 -1.1528 -0.9661 3122336 ChemDiv3_008162 O=C1CCc2cc(ccc2N1)S(=O)(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C23 mock treatment 0.416 -0.0205 -0.98 0.421 -0.0202 -1.21 -1.5502 -0.9943 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 C24 mock treatment 0.426 -0.0105 -0.5 0.427 -0.0142 -0.85 -0.9577 -0.9681 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D01 compound treatment 0.443 0.00647 0.31 0.453 0.0118 0.71 0.7223 0.9297 3027820 ChemDiv3_008163 COC(CNS(=O)(=O)c1cccc2cccnc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D02 compound treatment 0.437 4.69E-4 0.02 0.439 -0.00216 -0.13 -0.076 -0.5769 3122337 ChemDiv3_008164 O=C(NC1CCCCC1)c2noc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D03 compound treatment 0.451 0.0145 0.69 0.438 -0.00316 -0.19 0.3533 0.4939 3122338 ChemDiv3_008165 O=C(NC1CCCc2ccccc12)C3CCN(CC3)S(=O)(=O)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D04 compound treatment 0.479 0.0425 2.02 0.468 0.0268 1.62 2.5744 0.9938 3027824 ChemDiv3_008166 CCc1ccccc1NC(=O)c2noc-3c2CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D05 compound treatment 0.438 0.00147 0.07 0.44 -0.00116 -0.07 3.0E-4 0.0028 3122339 ChemDiv3_008167 Brc1ccc(s1)S(=O)(=O)CCC(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D06 compound treatment 0.506 0.0695 3.31 0.502 0.0608 3.66 4.932 0.9987 3122340 ChemDiv3_008168 COc1ccc2-c3onc(C(=O)Nc4cccnc4)c3CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D07 compound treatment 0.476 0.0395 1.88 0.495 0.0538 3.24 3.6228 0.9665 3027875 ChemDiv3_008169 CN(Cc1ccccc1)C(=O)c2cc(on2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D08 compound treatment 0.442 0.00547 0.26 0.444 0.00284 0.17 0.3054 0.9792 3122341 ChemDiv3_008170 CC1CCN(CC1)C(=O)CCC(=O)Nc2ccc3nc(cc(C)c3c2)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D09 compound treatment 0.447 0.0105 0.5 0.444 0.00284 0.17 0.4739 0.8983 3027878 ChemDiv3_008171 COc1ccc(cc1)c2cc(no2)C(=O)N(C)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D10 compound treatment 0.431 -0.00553 -0.26 0.432 -0.00916 -0.55 -0.5763 -0.943 3122342 ChemDiv3_008172 CC1CC(C)CN(C1)c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(F)cc4Cl)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D11 compound treatment 0.44 0.00347 0.17 0.448 0.00684 0.41 0.4083 0.9196 3027880 ChemDiv3_008173 COc1ccccc1c2cc(no2)C(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D12 compound treatment 0.443 0.00647 0.31 0.437 -0.00416 -0.25 0.0411 0.1035 3122343 ChemDiv3_008174 COCCn1cc(C(=O)N2CCC(C)CC2)c3c4ccccc4n(C)c3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D13 compound treatment 0.482 0.0455 2.17 0.495 0.0538 3.24 3.825 0.9808 3027882 ChemDiv3_008175 O=C(NCCc1ccccc1)c2cc(on2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D14 compound treatment 0.465 0.0285 1.36 0.459 0.0178 1.07 1.7193 0.9933 3122344 ChemDiv3_008176 Cc1cccc(C)c1Nc2c(nc3sccn23)c4ccsc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D15 compound treatment 0.464 0.0275 1.31 0.464 0.0228 1.38 1.8985 0.9997 3122345 ChemDiv3_008177 O=C(Nc1sc2CCCc2c1C#N)c3cc(on3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D16 compound treatment 0.444 0.00747 0.36 0.444 0.00284 0.17 0.3728 0.9437 3027885 ChemDiv3_008178 COc1ccccc1CNC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D17 compound treatment 0.457 0.0205 0.98 0.443 0.00184 0.11 0.7685 0.7825 3122535 ChemDiv3_008179 Cc1cc(no1)C(=O)NCc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D18 compound treatment 0.47 0.0335 1.6 0.461 0.0198 1.19 1.973 0.9898 3122536 ChemDiv3_008180 O=C(Cn1c(=O)n(c2ccccc2)c(=O)c3sccc13)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D19 compound treatment 0.438 0.00147 0.07 0.44 -0.00116 -0.07 3.0E-4 0.0028 3027936 ChemDiv3_008181 CC(C)c1cc(no1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D20 compound treatment 0.484 0.0475 2.26 0.48 0.0388 2.34 3.2538 0.9999 3122537 ChemDiv3_008182 CCc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccccc3)c(=O)c4sccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D21 compound treatment 0.465 0.0285 1.36 0.464 0.0228 1.38 1.9322 1.0 3027939 ChemDiv3_008183 CC(C)Cc1cc(no1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D22 compound treatment 0.47 0.0335 1.6 0.441 -1.56E-4 -0.01 1.1215 0.7029 3122538 ChemDiv3_008184 CN(C1CCCCC1)C(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D23 mock treatment 0.44 0.00347 0.17 0.44 -0.00116 -0.07 0.0677 0.3773 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 D24 mock treatment 0.442 0.00547 0.26 0.438 -0.00316 -0.19 0.05 0.1549 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E01 compound treatment 0.457 0.0205 0.98 0.46 0.0188 1.13 1.4922 0.9972 3122539 ChemDiv3_008185 O=C(NCCNc1ccc2ccccc2c1)c3cccn4c(=O)c5sccc5nc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E02 compound treatment 0.444 0.00747 0.36 0.448 0.00684 0.41 0.5431 0.9974 3027942 ChemDiv3_008186 COC(=O)c1ccccc1NC(=O)Cn2c(=O)c3ccccc3n4nncc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E03 compound treatment 0.44 0.00347 0.17 0.444 0.00284 0.17 0.238 0.9998 3122540 ChemDiv3_008187 COc1cc(OC)cc(c1)n2c(=O)n(Cc3cc(=O)n4ccccc4n3)c5ccccc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E04 compound treatment 0.48 0.0435 2.07 0.492 0.0508 3.06 3.6299 0.9819 3027944 ChemDiv3_008188 NC1=C(C#N)C(Nc2nc3ccccc3n12)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E05 compound treatment 0.442 0.00547 0.26 0.438 -0.00316 -0.19 0.05 0.1549 3122541 ChemDiv3_008189 COc1ccc(OC)c(c1)C2NC(C3C2C(=O)N(C3=O)c4cccc(c4)C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E06 compound treatment 0.44 0.00347 0.17 0.444 0.00284 0.17 0.238 0.9998 3027947 ChemDiv3_008190 CCc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E07 compound treatment 0.448 0.0115 0.55 0.458 0.0168 1.01 1.1037 0.958 3122542 ChemDiv3_008191 COc1ccc(CC(=O)NC(=S)Nc2cccnc2Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E08 compound treatment 0.445 0.00847 0.4 0.456 0.0148 0.89 0.9174 0.9355 3027949 ChemDiv3_008192 CNS(=O)(=O)c1cc(OC)ccc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E09 compound treatment 0.475 0.0385 1.83 0.472 0.0308 1.86 2.6099 1.0 3122543 ChemDiv3_008193 COc1ccc(cc1OC)c2cn(c3ccc(C)cc3C)c(=S)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E10 compound treatment 0.448 0.0115 0.55 0.455 0.0138 0.83 0.976 0.9791 1624330 ChemDiv3_008194 COc1ccccc1CNS(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E11 compound treatment 0.451 0.0145 0.69 0.44 -0.00116 -0.07 0.4385 0.6325 3122544 ChemDiv3_008195 COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CC(C)CC(C)C2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E12 compound treatment 0.45 0.0135 0.64 0.448 0.00684 0.41 0.7454 0.977 3027999 ChemDiv3_008196 Clc1ccc(s1)S(=O)(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E13 compound treatment 0.437 4.69E-4 0.02 0.445 0.00384 0.23 0.1794 0.7718 3122545 ChemDiv3_008197 CN(C)C(=O)c1sc2[nH]c(=O)n(c3ccccc3C(F)(F)F)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E14 compound treatment 0.442 0.00547 0.26 0.438 -0.00316 -0.19 0.05 0.1549 3028001 ChemDiv3_008198 CCCCN(CC)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E15 compound treatment 0.44 0.00347 0.17 0.444 0.00284 0.17 0.238 0.9998 3122546 ChemDiv3_008199 CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(NC(=O)c3ccccc3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E16 compound treatment 0.448 0.0115 0.55 0.448 0.00684 0.41 0.678 0.9903 3028003 ChemDiv3_008200 CC(C)NC(=O)COc1ccc2OC(C)(C)CC(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E17 compound treatment 0.451 0.0145 0.69 0.442 8.44E-4 0.05 0.5236 0.7571 3122547 ChemDiv3_008201 COC(=O)c1cccnc1n2c(=O)n(Cc3ccccc3F)c4ncccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E18 compound treatment 0.435 -0.00153 -0.07 0.441 -1.56E-4 -0.01 -0.0583 -0.7917 3028005 ChemDiv3_008202 CC(C)n1cnc2cc(NCc3ccccc3O)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E19 compound treatment 0.446 0.00947 0.45 0.444 0.00284 0.17 0.4402 0.9119 3122548 ChemDiv3_008203 Cc1ccc(cc1)S(=O)(=O)c2c[nH]c(=S)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E20 compound treatment 0.447 0.0105 0.5 0.452 0.0108 0.65 0.8145 0.9912 3122549 ChemDiv3_008204 Cc1nc2c(cnn2c(O)c1Cc3ccc(F)cc3Cl)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E21 compound treatment 0.441 0.00447 0.21 0.439 -0.00216 -0.13 0.0588 0.2358 3028009 ChemDiv3_008205 CC1CCN(CC1)C(=O)c2ccc3c(=O)[nH]c4c(nnn4c3c2)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E22 compound treatment 0.48 0.0435 2.07 0.477 0.0358 2.16 2.9913 0.9998 1571875 ChemDiv3_008206 CC1Cc2ccccc2N1S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E23 mock treatment 0.437 4.69E-4 0.02 0.436 -0.00516 -0.31 -0.2037 -0.6545 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 E24 mock treatment 0.445 0.00847 0.4 0.444 0.00284 0.17 0.4065 0.9271 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F01 compound treatment 0.438 0.00147 0.07 0.438 -0.00316 -0.19 -0.0849 -0.4191 3028011 ChemDiv3_008207 CC(C)CN(CC(C)C)S(=O)(=O)c1cccc2cccnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F02 compound treatment 0.447 0.0105 0.5 0.449 0.00784 0.47 0.6868 0.9996 3122550 ChemDiv3_008208 O=C(NCCc1ccccc1)c2noc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F03 compound treatment 0.518 0.0815 3.88 0.506 0.0648 3.9 5.5068 1.0 3122551 ChemDiv3_008209 Clc1cccc(c1)N2CCN(CC2)C(=O)C(NS(=O)(=O)c3cccs3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F04 compound treatment 0.46 0.0235 1.12 0.453 0.0118 0.71 1.2953 0.9763 3028078 ChemDiv3_008210 Brc1ccc(NC(=O)c2noc-3c2CCc4ccccc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F05 compound treatment 0.445 0.00847 0.4 0.452 0.0108 0.65 0.7471 0.9733 3122552 ChemDiv3_008211 CCOC(=O)N1CCN(CC1)C(=O)CCS(=O)(=O)c2ccc(Br)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F06 compound treatment 0.482 0.0455 2.17 0.473 0.0318 1.92 2.8884 0.9981 3028081 ChemDiv3_008212 Nc1nc(cc(n1)C(F)(F)F)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F07 compound treatment 0.458 0.0215 1.02 0.462 0.0208 1.25 1.6111 0.9949 3122553 ChemDiv3_008213 CC1CCCC(C)N1C(=O)c2cc(on2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F08 compound treatment 0.48 0.0435 2.07 0.486 0.0448 2.7 3.3744 0.9915 3028083 ChemDiv3_008214 Brc1ccc(s1)c2cc(C(=O)NCCN3CCc4ccccc4C3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F09 compound treatment 0.539 0.102 4.88 0.531 0.0898 5.41 7.2791 0.9987 3122554 ChemDiv3_008215 COc1ccc(cc1)c2cc(no2)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F10 compound treatment 0.44 0.00347 0.17 0.457 0.0158 0.95 0.7915 0.8175 3122555 ChemDiv3_008216 CC1CC(C)CN(C1)c2cc(C)c3cc(NC(=O)CCC(=O)N4CCCC4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F11 compound treatment 0.463 0.0265 1.26 0.462 0.0208 1.25 1.7796 1.0 3028086 ChemDiv3_008217 COc1ccc(cc1OC)c2cc(no2)C(=O)NCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F12 compound treatment 0.464 0.0275 1.31 0.473 0.0318 1.92 2.2816 0.9827 3122556 ChemDiv3_008218 COCCn1cc(C(=O)NC2CCCCCC2)c3c4ccccc4n(C)c3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F13 compound treatment 0.493 0.0565 2.69 0.503 0.0618 3.72 4.5364 0.9873 3028088 ChemDiv3_008219 O=C(NCc1ccccc1)c2cc(on2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F14 compound treatment 0.454 0.0175 0.83 0.45 0.00884 0.53 0.9654 0.9767 3122557 ChemDiv3_008220 Cc1cccc(NC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F15 compound treatment 0.488 0.0515 2.45 0.478 0.0368 2.22 3.3035 0.9987 3028090 ChemDiv3_008221 CCC1CCCCN1C(=O)c2cc(on2)c3ccc(Cl)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F16 compound treatment 0.457 0.0205 0.98 0.449 0.00784 0.47 1.0239 0.9445 3122558 ChemDiv3_008222 CCOc1ccc(CCNC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F17 compound treatment 0.465 0.0285 1.36 0.458 0.0168 1.01 1.6767 0.9897 3028091 ChemDiv3_008223 Cc1cc(no1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F18 compound treatment 0.464 0.0275 1.31 0.454 0.0128 0.77 1.4727 0.9684 3122559 ChemDiv3_008224 Cc1cccc(Cn2c(=O)n(c3ccccc3)c(=O)c4sccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F19 compound treatment 0.497 0.0605 2.88 0.493 0.0518 3.12 4.2455 0.9992 3028094 ChemDiv3_008225 CC(C)c1cc(no1)C(=O)NCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F20 compound treatment 0.446 0.00947 0.45 0.45 0.00884 0.53 0.6957 0.9966 3122944 ChemDiv3_008226 Cc1ccc(CNC(=O)CCCn2c(=O)n(Cc3ccc(F)cc3Cl)c4ccsc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F21 compound treatment 0.452 0.0155 0.74 0.453 0.0118 0.71 1.0257 0.9999 3028165 ChemDiv3_008227 CCCNC(=O)c1cc(CC(C)C)on1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F22 compound treatment 0.47 0.0335 1.6 0.474 0.0328 1.98 2.5265 0.9943 3122742 ChemDiv3_008228 Fc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c4sccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F23 mock treatment 0.443 0.00647 0.31 0.451 0.00984 0.59 0.6371 0.9536 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 F24 mock treatment 0.45 0.0135 0.64 0.45 0.00884 0.53 0.8305 0.9957 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G01 compound treatment 0.429 -0.00753 -0.36 0.439 -0.00216 -0.13 -0.3457 -0.9054 3028167 ChemDiv3_008229 O=C(NCc1ccccc1)c2ccc3nc4ccccc4c(=O)n3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G02 compound treatment 0.453 0.0165 0.79 0.46 0.0188 1.13 1.3574 0.9838 3122743 ChemDiv3_008230 Cc1ccc(cc1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G03 compound treatment 0.433 -0.00353 -0.17 0.434 -0.00716 -0.43 -0.4237 -0.9159 3122744 ChemDiv3_008231 CC1CCCCN1C(=O)Cn2c(=O)n(c3ccc(Cl)cc3)c(=O)c4c(C)c(C)sc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G04 compound treatment 0.434 -0.00253 -0.12 0.444 0.00284 0.17 0.0357 0.1707 3028170 ChemDiv3_008232 NC1=C(C#N)C(Nc2ncnn12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G05 compound treatment 0.439 0.00247 0.12 0.438 -0.00316 -0.19 -0.0512 -0.2289 3122745 ChemDiv3_008233 COc1cccc(C2NC(C3C2C(=O)N(C3=O)c4cccc(c4)C(=O)O)C(=O)O)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G06 compound treatment 0.507 0.0705 3.36 0.498 0.0568 3.42 4.7954 1.0 3028171 ChemDiv3_008234 O=C(Cc1ccc(cc1)n2c(=O)[nH]c3ccsc3c2=O)Nc4ccc(cc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G07 compound treatment 0.521 0.0845 4.03 0.511 0.0698 4.21 5.8208 0.9998 3122746 ChemDiv3_008235 Clc1ncccc1NC(=S)NC(=O)/C=C/c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G08 compound treatment 0.442 0.00547 0.26 0.455 0.0138 0.83 0.7737 0.8859 1632740 ChemDiv3_008236 COc1ccc(OC)c(c1)S(=O)(=O)NC2CCN(Cc3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G09 compound treatment 0.485 0.0485 2.31 0.481 0.0398 2.4 3.3301 0.9998 3122747 ChemDiv3_008237 COc1ccc(cc1OC)c2cn(c3ccc(C)c(Cl)c3)c(=S)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G10 compound treatment 0.446 0.00947 0.45 0.446 0.00484 0.29 0.5254 0.9777 3028174 ChemDiv3_008238 CNS(=O)(=O)c1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G11 compound treatment 0.435 -0.00153 -0.07 0.442 8.44E-4 0.05 -0.0157 -0.1765 3122748 ChemDiv3_008239 COC(=O)c1sccc1NC(=S)N(C)CCC#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G12 compound treatment 0.47 0.0335 1.6 0.462 0.0208 1.25 2.0156 0.9929 3028177 ChemDiv3_008240 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(Br)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G13 compound treatment 0.438 0.00147 0.07 0.448 0.00684 0.41 0.3409 0.8156 3122749 ChemDiv3_008241 CCc1cccc(NC(=O)NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G14 compound treatment 0.439 0.00247 0.12 0.438 -0.00316 -0.19 -0.0512 -0.2289 3122750 ChemDiv3_008242 COc1ccc(cc1)N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G15 compound treatment 0.438 0.00147 0.07 0.435 -0.00616 -0.37 -0.2126 -0.5636 3122751 ChemDiv3_008243 Cc1cc(C)c(Cn2c(=O)n(NC(=O)c3ccccc3)c(=O)c4sccc24)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G16 compound treatment 0.438 0.00147 0.07 0.446 0.00484 0.29 0.2557 0.8526 3028247 ChemDiv3_008244 CCN(CC)C(=O)COc1ccc2OC(C)(C)CC(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G17 compound treatment 0.48 0.0435 2.07 0.48 0.0388 2.34 3.119 0.9982 3028249 ChemDiv3_008245 OC1=C(NS(=O)(=O)c2ccccc12)C(=O)c3ccc(Cl)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G18 compound treatment 0.454 0.0175 0.83 0.457 0.0158 0.95 1.2634 0.9977 3122752 ChemDiv3_008246 CCCn1cnc2cc(NCc3cccc(OC)c3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G19 compound treatment 0.439 0.00247 0.12 0.448 0.00684 0.41 0.3746 0.8741 3122753 ChemDiv3_008247 Fc1ccc(cc1)S(=O)(=O)c2c[nH]c(=S)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G20 compound treatment 0.446 0.00947 0.45 0.44 -0.00116 -0.07 0.2699 0.5911 3028251 ChemDiv3_008248 CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NC2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G21 compound treatment 0.446 0.00947 0.45 0.442 8.44E-4 0.05 0.3551 0.7818 3122754 ChemDiv3_008249 COc1cccc(CN2CCc3[nH]c(=S)[nH]c(=O)c3C2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G22 compound treatment 0.428 -0.00853 -0.41 0.421 -0.0202 -1.21 -1.1457 -0.8951 3028254 ChemDiv3_008250 O=S(=O)(NCCC1=CCCCC1)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G23 mock treatment 0.433 -0.00353 -0.17 0.434 -0.00716 -0.43 -0.4237 -0.9159 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 G24 mock treatment 0.439 0.00247 0.12 0.441 -1.56E-4 -0.01 0.0766 0.6485 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H01 compound treatment 0.434 -0.00253 -0.12 0.445 0.00384 0.23 0.0783 0.3001 3122755 ChemDiv3_008251 CCCCN(C)S(=O)(=O)c1cccc2cccnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H02 compound treatment 0.46 0.0235 1.12 0.458 0.0168 1.01 1.5082 0.9988 3122756 ChemDiv3_008252 CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H03 compound treatment 0.433 -0.00353 -0.17 0.441 -1.56E-4 -0.01 -0.1257 -0.7455 3028256 ChemDiv3_008253 O=C(NCc1ccccc1)C(NS(=O)(=O)c2cccs2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H04 compound treatment 0.488 0.0515 2.45 0.478 0.0368 2.22 3.3035 0.9987 3122757 ChemDiv3_008254 Cc1ccc(Cn2ccc(NC(=O)c3noc-4c3CCc5ccccc45)n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H05 compound treatment 0.475 0.0385 1.83 0.47 0.0288 1.74 2.5247 0.9996 3028258 ChemDiv3_008255 Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H06 compound treatment 0.427 -0.00953 -0.45 0.431 -0.0102 -0.61 -0.7537 -0.9893 3122758 ChemDiv3_008256 Fc1ccc(cc1)c2cc(nc(n2)n3cccn3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H07 compound treatment 0.494 0.0575 2.74 0.482 0.0408 2.46 3.676 0.9985 3028261 ChemDiv3_008257 CC(C)NC(=O)c1cc(on1)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H08 compound treatment 0.439 0.00247 0.12 0.439 -0.00216 -0.13 -0.0086 -0.049 1377023 ChemDiv3_008258 O=C(NC1CCCC1)C2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H09 compound treatment 0.454 0.0175 0.83 0.455 0.0138 0.83 1.1782 1.0 3122759 ChemDiv3_008259 COc1ccc(cc1)c2cc(no2)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H10 compound treatment 0.443 0.00647 0.31 0.434 -0.00716 -0.43 -0.0866 -0.1635 3122760 ChemDiv3_008260 CC(C)Cn1cc(C(=O)N2CCCC2)c3c4ccccc4n(C)c3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H11 compound treatment 0.432 -0.00453 -0.22 0.434 -0.00716 -0.43 -0.4574 -0.949 3027825 ChemDiv3_008261 CCN(CC)C(=O)c1cc(on1)c2ccc(OC)c(OC)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H12 compound treatment 0.488 0.0515 2.45 0.486 0.0448 2.7 3.6441 0.9989 3027827 ChemDiv3_008262 Cc1cccc(C)c1Nc2c(CN3C(=O)c4ccccc4C3=O)nc5ccc(Br)cn25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H13 compound treatment 0.438 0.00147 0.07 0.447 0.00584 0.35 0.2983 0.8315 3122761 ChemDiv3_008263 CCCNC(=O)c1cc(on1)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H14 compound treatment 0.436 -5.31E-4 -0.03 0.434 -0.00716 -0.43 -0.3226 -0.7474 3122762 ChemDiv3_008264 COc1cccc(NC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H15 compound treatment 0.441 0.00447 0.21 0.436 -0.00516 -0.31 -0.0689 -0.183 3027829 ChemDiv3_008265 CN(C(=O)c1cc(on1)c2ccc(Cl)c(Cl)c2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H16 compound treatment 0.434 -0.00253 -0.12 0.436 -0.00516 -0.31 -0.3048 -0.9152 3122763 ChemDiv3_008266 CCC1CCCCN1C(=O)Cn2c(=O)n(c3cc(F)ccc3F)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H17 compound treatment 0.445 0.00847 0.4 0.445 0.00384 0.23 0.4491 0.9651 3027831 ChemDiv3_008267 Cc1cc(no1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H18 compound treatment 0.438 0.00147 0.07 0.433 -0.00816 -0.49 -0.2977 -0.6002 3122764 ChemDiv3_008268 Cc1ccc(cc1F)n2c(=O)n(CC(=O)NCC3CCCO3)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H19 compound treatment 0.449 0.0125 0.59 0.457 0.0158 0.95 1.0948 0.9741 3027833 ChemDiv3_008269 COc1ccc(CNC(=O)c2cc(on2)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H20 compound treatment 0.464 0.0275 1.31 0.463 0.0218 1.32 1.8559 1.0 3122765 ChemDiv3_008270 Fc1ccc(Cn2c(=O)n(CCCC(=O)NCc3ccc4OCOc4c3)c(=O)c5sccc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H21 compound treatment 0.435 -0.00153 -0.07 0.444 0.00284 0.17 0.0695 0.3732 3027835 ChemDiv3_008271 CC(C)Cc1cc(no1)C(=O)Nc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H22 compound treatment 0.431 -0.00553 -0.26 0.438 -0.00316 -0.19 -0.3208 -0.9871 3122766 ChemDiv3_008272 Clc1cccc(Cn2c(=O)n(CC(=O)NCc3ccco3)c(=O)c4sccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H23 mock treatment 0.444 0.00747 0.36 0.438 -0.00316 -0.19 0.1174 0.2908 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 H24 mock treatment 0.426 -0.0105 -0.5 0.437 -0.00416 -0.25 -0.5319 -0.9483 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I01 compound treatment 0.496 0.0595 2.83 0.505 0.0638 3.84 4.7227 0.9888 3027838 ChemDiv3_008273 Clc1ccc(CNC(=O)c2ccc3c(=O)n(c4ccccc4)c(=O)[nH]c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I02 compound treatment 0.484 0.0475 2.26 0.479 0.0378 2.28 3.2112 1.0 3027888 ChemDiv3_008274 CC1C(NC(C(C)C1=O)c2ccc(Br)cc2)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I03 compound treatment 0.442 0.00547 0.26 0.444 0.00284 0.17 0.3054 0.9792 3122767 ChemDiv3_008275 Cc1sc2n(CC(=O)NCc3ccc(C)cc3)c(=O)n(c4ccc(C)c(C)c4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I04 compound treatment 0.502 0.0655 3.12 0.51 0.0688 4.15 5.1378 0.9902 3027890 ChemDiv3_008276 CC(C)C1C2=C(CC(C)(C)CC2=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I05 compound treatment 0.443 0.00647 0.31 0.444 0.00284 0.17 0.3391 0.9615 3122768 ChemDiv3_008277 COc1ccc(NC(=O)CCCn2c(=O)n(Cc3ccccc3)c4ccsc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I06 compound treatment 0.447 0.0105 0.5 0.451 0.00984 0.59 0.772 0.9963 3122945 ChemDiv3_008278 CC1CCCCC1NC(=O)CN2C(=O)COc3ccc(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I07 compound treatment 0.435 -0.00153 -0.07 0.428 -0.0132 -0.79 -0.6117 -0.769 3027892 ChemDiv3_008279 Fc1ccc(cc1)C(=O)c2c[nH]c3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I08 compound treatment 0.441 0.00447 0.21 0.447 0.00584 0.35 0.3994 0.9711 3027894 ChemDiv3_008280 Brc1cccc(NS(=O)(=O)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I09 compound treatment 0.44 0.00347 0.17 0.45 0.00884 0.53 0.4934 0.885 3122946 ChemDiv3_008281 COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCCCC2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I10 compound treatment 0.451 0.0145 0.69 0.456 0.0148 0.89 1.1197 0.9918 3027898 ChemDiv3_008282 CSc1cccc(NS(=O)(=O)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I11 compound treatment 0.47 0.0335 1.6 0.456 0.0148 0.89 1.7601 0.9625 3122947 ChemDiv3_008283 COC(=O)c1sccc1NC(=S)N2CC(C)CC(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I12 compound treatment 0.452 0.0155 0.74 0.445 0.00384 0.23 0.6851 0.8864 3027900 ChemDiv3_008284 O=C(CCn1c(=O)oc2ccccc12)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I13 compound treatment 0.473 0.0365 1.74 0.469 0.0278 1.68 2.4147 0.9998 3122948 ChemDiv3_008285 O=C(CCn1c(=O)c2sc3ccccc3c2[nH]c1=S)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I14 compound treatment 0.561 0.124 5.93 0.55 0.109 6.55 8.8295 0.9988 3122949 ChemDiv3_008286 CCOC(=O)C1=C(NC(=C(C#N)C1c2ccco2)SCC(=O)Nc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I15 compound treatment 0.446 0.00947 0.45 0.439 -0.00216 -0.13 0.2274 0.4841 3027952 ChemDiv3_008287 COc1ccc(CCn2c(NN)nc3ccsc3c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I16 compound treatment 0.46 0.0235 1.12 0.45 0.00884 0.53 1.1676 0.9424 3122950 ChemDiv3_008288 CCCCn1cnc2cc(NCc3ccc(C)cc3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I17 compound treatment 0.443 0.00647 0.31 0.453 0.0118 0.71 0.7223 0.9297 3122951 ChemDiv3_008289 COC(=O)c1nnn(CC(=O)N(Cc2ccccc2)c3ccc(Br)cc3)c1C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I18 compound treatment 0.499 0.0625 2.98 0.498 0.0568 3.42 4.5258 0.9976 3027956 ChemDiv3_008290 CCCn1cnc2cc(NCc3ccc(Cl)cc3Cl)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I19 compound treatment 0.45 0.0135 0.64 0.441 -1.56E-4 -0.01 0.4473 0.6967 3027957 ChemDiv3_008291 CCCCN1CCc2[nH]c(=S)[nH]c(=O)c2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I20 compound treatment 0.486 0.0495 2.36 0.484 0.0428 2.58 3.4915 0.999 3122952 ChemDiv3_008292 CC(C)C(NS(=O)(=O)c1cccs1)C(=O)Nc2cccc(C)c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I21 compound treatment 0.449 0.0125 0.59 0.463 0.0218 1.32 1.3503 0.9356 1293215 ChemDiv3_008293 O=c1n(c2ccccc2)c(=S)[nH]c3c4ccccc4oc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I22 compound treatment 0.442 0.00547 0.26 0.436 -0.00516 -0.31 -0.0352 -0.0868 3027960 ChemDiv3_008294 C=CCN(c1ccccc1)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I23 mock treatment 0.436 -5.31E-4 -0.03 0.442 8.44E-4 0.05 0.018 0.3174 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 I24 mock treatment 0.433 -0.00353 -0.17 0.456 0.0148 0.89 0.5129 0.564 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J01 compound treatment 0.529 0.0925 4.41 0.504 0.0628 3.78 5.7925 0.9971 3122953 ChemDiv3_008295 O=S(=O)(N(CCc1ccccc1)Cc2ccccc2)c3cccc4cccnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J02 compound treatment 0.452 0.0155 0.74 0.456 0.0148 0.89 1.1534 0.9954 3028950 ChemDiv3_008296 CCc1c(C)sc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J03 compound treatment 0.435 -0.00153 -0.07 0.44 -0.00116 -0.07 -0.1008 -0.9997 3028951 ChemDiv3_008297 Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J04 compound treatment 0.488 0.0515 2.45 0.473 0.0318 1.92 3.0906 0.9926 3028952 ChemDiv3_008298 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c3noc-4c3CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J05 compound treatment 0.483 0.0465 2.22 0.484 0.0428 2.58 3.3904 0.9971 3028953 ChemDiv3_008299 Brc1ccc(s1)S(=O)(=O)CCC(=O)NC(c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J06 compound treatment 0.444 0.00747 0.36 0.442 8.44E-4 0.05 0.2877 0.7999 3028954 ChemDiv3_008300 Cc1nccn1c2nc(cc(n2)C(F)(F)F)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J07 compound treatment 0.461 0.0245 1.17 0.459 0.0178 1.07 1.5845 0.9992 3028955 ChemDiv3_008301 CC(C)CNC(=O)c1cc(on1)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J08 compound treatment 0.431 -0.00553 -0.26 0.434 -0.00716 -0.43 -0.4911 -0.9722 3028956 ChemDiv3_008302 CSc1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J09 compound treatment 0.445 0.00847 0.4 0.447 0.00584 0.35 0.5343 0.9977 3122954 ChemDiv3_008303 COc1cccc(c1)c2cc(no2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J10 compound treatment 0.494 0.0575 2.74 0.489 0.0478 2.88 3.9741 0.9997 3122955 ChemDiv3_008304 CC(C)Cn1cc(C(=O)NCc2ccco2)c3c4ccccc4n(C)c3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J11 compound treatment 0.436 -5.31E-4 -0.03 0.436 -0.00516 -0.31 -0.2374 -0.7623 3028957 ChemDiv3_008305 O=C(N1CCOCC1)c2cc(on2)c3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J12 compound treatment 0.45 0.0135 0.64 0.439 -0.00216 -0.13 0.3622 0.5529 3122956 ChemDiv3_008306 Brc1ccc2nc(CN3C(=O)c4ccccc4C3=O)c(NC5CCCCC5)n2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J13 compound treatment 0.451 0.0145 0.69 0.45 0.00884 0.53 0.8642 0.9918 3028958 ChemDiv3_008307 O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J14 compound treatment 0.486 0.0495 2.36 0.485 0.0438 2.64 3.5341 0.9984 3122957 ChemDiv3_008308 Cc1cc(Br)ccc1NC(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J15 compound treatment 0.416 -0.0205 -0.98 0.419 -0.0222 -1.33 -1.6354 -0.9884 3028959 ChemDiv3_008309 CCN(CC)C(=O)c1cc(on1)c2ccc(Cl)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J16 compound treatment 0.449 0.0125 0.59 0.442 8.44E-4 0.05 0.4562 0.7648 3122958 ChemDiv3_008310 COc1cccc(c1)n2c(=O)n(Cc3ccc(F)cc3Cl)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J17 compound treatment 0.445 0.00847 0.4 0.444 0.00284 0.17 0.4065 0.9271 3028960 ChemDiv3_008311 Cc1cc(no1)C(=O)N(C2CCCCC2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J18 compound treatment 0.476 0.0395 1.88 0.476 0.0348 2.1 2.8139 0.9985 3122959 ChemDiv3_008312 COc1cccc(c1)n2c(=O)n(Cc3ccc(cc3)C(C)(C)C)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J19 compound treatment 0.445 0.00847 0.4 0.446 0.00484 0.29 0.4917 0.9873 3028961 ChemDiv3_008313 CCCNC(=O)c1cc(on1)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J20 compound treatment 0.459 0.0225 1.07 0.46 0.0188 1.13 1.5596 0.9996 3122960 ChemDiv3_008314 CC1CC(C)CN(C1)C(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J21 compound treatment 0.446 0.00947 0.45 0.439 -0.00216 -0.13 0.2274 0.4841 3028962 ChemDiv3_008315 O=C(NCc1cccnc1)c2noc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J22 compound treatment 0.431 -0.00553 -0.26 0.433 -0.00816 -0.49 -0.5337 -0.9575 3122961 ChemDiv3_008316 CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(CC(=O)NCc3ccco3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J23 mock treatment 0.434 -0.00253 -0.12 0.435 -0.00616 -0.37 -0.3474 -0.8913 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 J24 mock treatment 0.438 0.00147 0.07 0.444 0.00284 0.17 0.1706 0.9221 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K01 compound treatment 0.506 0.0695 3.31 0.491 0.0498 3.0 4.4637 0.9988 3028963 ChemDiv3_008317 Clc1ccc(CCNC(=O)c2ccc3c(=O)n(c4ccccc4)c(=O)[nH]c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K02 compound treatment 0.473 0.0365 1.74 0.481 0.0398 2.4 2.9256 0.9875 3122962 ChemDiv3_008318 CC(C)C1CCC(C)CC1OC(=O)C2=C(C)Nc3nnnn3C2c4ccc(Br)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K03 compound treatment 0.464 0.0275 1.31 0.466 0.0248 1.5 1.9836 0.9978 3122963 ChemDiv3_008319 O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c3ccccc13)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K04 compound treatment 0.458 0.0215 1.02 0.462 0.0208 1.25 1.6111 0.9949 3028964 ChemDiv3_008320 O=C(CC1SC(=NC1=O)N2N=C(CC2c3ccccc3)c4ccccc4)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K05 compound treatment 0.447 0.0105 0.5 0.436 -0.00516 -0.31 0.1334 0.2269 3122964 ChemDiv3_008321 COc1ccc(NC(=O)CCCn2c(=O)n(CC(=O)C(C)(C)C)c3ccsc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K06 compound treatment 0.445 0.00847 0.4 0.46 0.0188 1.13 1.0877 0.9032 3122965 ChemDiv3_008322 CC1CCC(CC1)NC(=O)CCN2C(=O)COc3ccc(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K07 compound treatment 0.441 0.00447 0.21 0.431 -0.0102 -0.61 -0.2818 -0.4351 3028965 ChemDiv3_008323 COC(=O)c1nnn(CC(=O)Nc2ccc(OC)cc2)c1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K08 compound treatment 0.465 0.0285 1.36 0.466 0.0248 1.5 2.0173 0.9988 1741953 ChemDiv3_008324 COc1ccc(C)cc1NS(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K09 compound treatment 0.437 4.69E-4 0.02 0.438 -0.00316 -0.19 -0.1186 -0.6197 3122966 ChemDiv3_008325 COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCCC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K10 compound treatment 0.447 0.0105 0.5 0.447 0.00584 0.35 0.6017 0.9854 3028966 ChemDiv3_008326 CCN(c1ccccc1)S(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K11 compound treatment 0.445 0.00847 0.4 0.445 0.00384 0.23 0.4491 0.9651 3122967 ChemDiv3_008327 CCN(CC)C(=S)Nc1ccsc1C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K12 compound treatment 0.459 0.0225 1.07 0.446 0.00484 0.29 0.9636 0.868 3122968 ChemDiv3_008328 CC1CCCCC1NC(=O)CCn2c(=O)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K13 compound treatment 0.445 0.00847 0.4 0.433 -0.00816 -0.49 -0.0618 -0.0972 3028967 ChemDiv3_008329 CCOC(=O)c1ccccc1NC(=S)N2CC(C)CC(C)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K14 compound treatment 0.458 0.0215 1.02 0.452 0.0108 0.65 1.1853 0.9764 3122969 ChemDiv3_008330 CC(=O)N1CCC2(CC1)CC(=O)c3cc(OCC(=O)N4CCCC4)ccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K15 compound treatment 0.439 0.00247 0.12 0.445 0.00384 0.23 0.2469 0.9508 3028968 ChemDiv3_008331 Cc1ccc(CSC2=NS(=O)(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K16 compound treatment 0.45 0.0135 0.64 0.446 0.00484 0.29 0.6602 0.9362 3123352 ChemDiv3_008332 CC(C)n1cnc2cc(NCc3ccc(Br)cc3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K17 compound treatment 0.448 0.0115 0.55 0.448 0.00684 0.41 0.678 0.9903 3028969 ChemDiv3_008333 Clc1ccc(cc1)c2nnn3c2nc(Cl)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K18 compound treatment 0.449 0.0125 0.59 0.456 0.0148 0.89 1.0523 0.9804 3123148 ChemDiv3_008334 COc1cccc(CNc2ccc3n(cnc3c2)C(C)(C)C)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K19 compound treatment 0.436 -5.31E-4 -0.03 0.44 -0.00116 -0.07 -0.0671 -0.9062 3123149 ChemDiv3_008335 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K20 compound treatment 0.461 0.0245 1.17 0.462 0.0208 1.25 1.7122 0.9993 3028970 ChemDiv3_008336 CCOc1ccc(OCC)c(NC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K21 compound treatment 0.446 0.00947 0.45 0.446 0.00484 0.29 0.5254 0.9777 3123150 ChemDiv3_008337 Cc1noc(n1)c2cc3cc(Br)ccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K22 compound treatment 0.454 0.0175 0.83 0.449 0.00784 0.47 0.9228 0.9639 3028971 ChemDiv3_008338 O=S(=O)(NN1CCOCC1)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K23 mock treatment 0.433 -0.00353 -0.17 0.436 -0.00516 -0.31 -0.3386 -0.9587 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 K24 mock treatment 0.444 0.00747 0.36 0.458 0.0168 1.01 0.9689 0.9014 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L01 compound treatment 0.448 0.0115 0.55 0.44 -0.00116 -0.07 0.3374 0.6121 3123151 ChemDiv3_008339 CCCCN(c1ccccc1)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L02 compound treatment 0.445 0.00847 0.4 0.45 0.00884 0.53 0.662 0.9907 3123152 ChemDiv3_008340 Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c3noc4CCC(Cc34)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L03 compound treatment 0.451 0.0145 0.69 0.448 0.00684 0.41 0.7791 0.9697 3028972 ChemDiv3_008341 Brc1ccc(s1)S(=O)(=O)NCC(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L04 compound treatment 0.445 0.00847 0.4 0.448 0.00684 0.41 0.5768 0.9999 3123153 ChemDiv3_008342 COc1ccc2-c3onc(C(=O)N4C(C)CCCC4C)c3CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L05 compound treatment 0.476 0.0395 1.88 0.468 0.0268 1.62 2.4733 0.9971 3028973 ChemDiv3_008343 CCc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L06 compound treatment 0.455 0.0185 0.88 0.443 0.00184 0.11 0.701 0.79 3123154 ChemDiv3_008344 COc1cccc(c1)c2cc(nc(n2)n3cccn3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L07 compound treatment 0.476 0.0395 1.88 0.467 0.0258 1.56 2.4307 0.9955 3028974 ChemDiv3_008345 Brc1ccc(cc1)c2cc(no2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L08 compound treatment 0.441 0.00447 0.21 0.464 0.0228 1.38 1.1232 0.807 3123155 ChemDiv3_008346 Clc1ccc(s1)c2cc(C(=O)NC3CCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L09 compound treatment 0.459 0.0225 1.07 0.45 0.00884 0.53 1.1339 0.948 3123156 ChemDiv3_008347 COc1cccc(c1)c2cc(no2)C(=O)N3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L10 compound treatment 0.464 0.0275 1.31 0.445 0.00384 0.23 1.0896 0.8194 3028975 ChemDiv3_008348 CCOc1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3n(C)c4ccccc4c23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L11 compound treatment 0.46 0.0235 1.12 0.461 0.0198 1.19 1.6359 0.9995 3123157 ChemDiv3_008349 Cc1cc(NC(=O)c2cc(on2)c3ccc4OCOc4c3)n(n1)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L12 compound treatment 0.428 -0.00853 -0.41 0.428 -0.0132 -0.79 -0.8477 -0.952 3028976 ChemDiv3_008350 CSc1ccc(cc1)c2nc3ccc(C)cn3c2NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L13 compound treatment 0.525 0.0885 4.22 0.533 0.0918 5.53 6.8923 0.9911 3123158 ChemDiv3_008351 O=C(NCc1cccs1)c2cc(on2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L14 compound treatment 0.445 0.00847 0.4 0.437 -0.00416 -0.25 0.1085 0.2285 3123159 ChemDiv3_008352 CCC(C)NC(=O)C1C2N(CCc3ccccc23)C(=O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L15 compound treatment 0.444 0.00747 0.36 0.446 0.00484 0.29 0.458 0.9951 3028977 ChemDiv3_008353 Clc1ccc(cc1Cl)c2cc(no2)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L16 compound treatment 0.451 0.0145 0.69 0.441 -1.56E-4 -0.01 0.4811 0.6974 3123160 ChemDiv3_008354 CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(c3cccc(OC)c3)c(=O)c4sccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L17 compound treatment 0.456 0.0195 0.93 0.456 0.0148 0.89 1.2882 0.9998 3028978 ChemDiv3_008355 Cc1cc(no1)C(=O)Nc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L18 compound treatment 0.489 0.0525 2.5 0.486 0.0448 2.7 3.6778 0.9993 3123161 ChemDiv3_008356 CCOc1ccc(cc1)n2c(=O)n(CC(=O)Nc3cccc(c3)C(F)(F)F)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L19 compound treatment 0.445 0.00847 0.4 0.448 0.00684 0.41 0.5768 0.9999 3028979 ChemDiv3_008357 CC(C)NC(=O)c1cc(on1)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L20 compound treatment 0.444 0.00747 0.36 0.452 0.0108 0.65 0.7134 0.9593 3123162 ChemDiv3_008358 CC(C)(C)C(=O)Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c3sccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L21 compound treatment 0.44 0.00347 0.17 0.44 -0.00116 -0.07 0.0677 0.3773 3028980 ChemDiv3_008359 O=C(NCCCn1ccnc1)c2noc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L22 compound treatment 0.46 0.0235 1.12 0.467 0.0258 1.56 1.8914 0.9869 3123163 ChemDiv3_008360 COc1cc(OC)cc(c1)n2c(=O)n(CC(=O)c3ccc(Cl)cc3)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L23 mock treatment 0.448 0.0115 0.55 0.444 0.00284 0.17 0.5077 0.8861 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 L24 mock treatment 0.446 0.00947 0.45 0.444 0.00284 0.17 0.4402 0.9119 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M01 compound treatment 0.475 0.0385 1.83 0.469 0.0278 1.68 2.4821 0.999 3028981 ChemDiv3_008361 CN1C(=O)/C(=C(\O)/C=C/c2ccc(C)cc2)/C3CC1(C)Oc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M02 compound treatment 0.444 0.00747 0.36 0.45 0.00884 0.53 0.6283 0.9808 3123164 ChemDiv3_008362 CCOc1ccccc1C2C(=C(C)Nc3nc4ccccc4n23)C(=O)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M03 compound treatment 0.481 0.0445 2.12 0.482 0.0408 2.46 3.2378 0.9973 3028982 ChemDiv3_008363 O=c1n(Cc2ccccc2)c(=O)c3ccccc3n1Cc4ccccc4C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M04 compound treatment 0.448 0.0115 0.55 0.445 0.00384 0.23 0.5502 0.9268 3123165 ChemDiv3_008364 NC(=O)C1C(C=C(NC1=O)c2ccccc2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M05 compound treatment 0.46 0.0235 1.12 0.458 0.0168 1.01 1.5082 0.9988 3028983 ChemDiv3_008365 CCCN1C(=S)NC2C(C)C1(C)Oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M06 compound treatment 0.446 0.00947 0.45 0.445 0.00384 0.23 0.4828 0.9518 3123166 ChemDiv3_008366 CCC1Oc2ccc(C)cc2N(CC(=O)NCC3COc4ccccc4O3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M07 compound treatment 0.443 0.00647 0.31 0.445 0.00384 0.23 0.3817 0.99 3123167 ChemDiv3_008367 COC(=O)c1ccc2c(=O)n(c(Nc3ccccc3)nc2c1)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M08 compound treatment 0.461 0.0245 1.17 0.454 0.0128 0.77 1.3716 0.9801 3028984 ChemDiv3_008368 CCC(C)NS(=O)(=O)c1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M09 compound treatment 0.436 -5.31E-4 -0.03 0.441 -1.56E-4 -0.01 -0.0246 -0.9091 3028985 ChemDiv3_008369 CCN(CC)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M10 compound treatment 0.439 0.00247 0.12 0.442 8.44E-4 0.05 0.1191 0.9294 3123168 ChemDiv3_008370 CC1CCc2ccc(F)cc2N1S(=O)(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M11 compound treatment 0.431 -0.00553 -0.26 0.442 8.44E-4 0.05 -0.1505 -0.5606 3123169 ChemDiv3_008371 O=C(CCCn1c(=O)c2sc3ccccc3c2[nH]c1=S)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M12 compound treatment 0.436 -5.31E-4 -0.03 0.441 -1.56E-4 -0.01 -0.0246 -0.9091 3028986 ChemDiv3_008372 Fc1ccc(cc1)N2CCN(CCCNC(=O)CCn3c(=O)oc4ccccc34)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M13 compound treatment 0.438 0.00147 0.07 0.433 -0.00816 -0.49 -0.2977 -0.6002 1074952 ChemDiv3_008373 Nc1c(nnn1c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M14 compound treatment 0.447 0.0105 0.5 0.442 8.44E-4 0.05 0.3888 0.7751 3029045 ChemDiv3_008374 O=C(COc1ccc2OC3(CCCCC3)CC(=O)c2c1)NCc4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M15 compound treatment 0.44 0.00347 0.17 0.444 0.00284 0.17 0.238 0.9998 3029046 ChemDiv3_008375 O=C1CCC(=O)N1Nc2nc3ccccc3c4nc(nn24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M16 compound treatment 0.493 0.0565 2.69 0.483 0.0418 2.52 3.6849 0.9995 3029047 ChemDiv3_008376 CCCCn1cnc2cc(NCc3ccc(Br)cc3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M17 compound treatment 0.473 0.0365 1.74 0.466 0.0248 1.5 2.287 0.9972 3029048 ChemDiv3_008377 Clc1nc2c(nnn2c3ccccc13)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M18 compound treatment 0.456 0.0195 0.93 0.453 0.0118 0.71 1.1605 0.9915 3029049 ChemDiv3_008378 CC(C)(C)n1cnc2cc(NCc3ccccn3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M19 compound treatment 0.436 -5.31E-4 -0.03 0.441 -1.56E-4 -0.01 -0.0246 -0.9091 1548756 ChemDiv3_008379 CCOC(=O)CC(=O)Nc1ccsc1C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M20 compound treatment 0.484 0.0475 2.26 0.471 0.0298 1.8 2.8706 0.9935 3029050 ChemDiv3_008380 Cc1ccc(C)c(c1)N2CCN(CC2)S(=O)(=O)c3ccc4NC(=O)CCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M21 compound treatment 0.571 0.134 6.41 0.552 0.111 6.67 9.2518 0.9998 3123170 ChemDiv3_008381 Cc1ccc(cc1)c2csc(n2)c3ccccc3N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M22 compound treatment 0.44 0.00347 0.17 0.441 -1.56E-4 -0.01 0.1103 0.6658 1619066 ChemDiv3_008382 O=S(=O)(NC1CCCC1)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M23 mock treatment 0.427 -0.00953 -0.45 0.432 -0.00916 -0.55 -0.7111 -0.9954 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 M24 mock treatment 0.439 0.00247 0.12 0.45 0.00884 0.53 0.4597 0.843 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N01 compound treatment 0.444 0.00747 0.36 0.442 8.44E-4 0.05 0.2877 0.7999 3029051 ChemDiv3_008383 CC1CC(C)CN(CCCNS(=O)(=O)c2cccc3cccnc23)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N02 compound treatment 0.498 0.0615 2.93 0.486 0.0448 2.7 3.9812 0.9992 3123171 ChemDiv3_008384 O=C(NCCc1ccccc1)c2noc-3c2CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N03 compound treatment 0.451 0.0145 0.69 0.452 0.0108 0.65 0.9494 0.9996 3123172 ChemDiv3_008385 CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N04 compound treatment 0.442 0.00547 0.26 0.445 0.00384 0.23 0.348 0.9982 3029052 ChemDiv3_008386 COc1ccc2-c3onc(C(=O)N4CCCC4)c3CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N05 compound treatment 0.445 0.00847 0.4 0.435 -0.00616 -0.37 0.0234 0.0426 3123173 ChemDiv3_008387 O=C(CCS(=O)(=O)c1cccs1)Nc2ccc(cc2)C(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N06 compound treatment 0.442 0.00547 0.26 0.431 -0.0102 -0.61 -0.2481 -0.3732 3029053 ChemDiv3_008388 COc1cccc(c1)c2cc(nc(n2)n3cc(C)c(=O)[nH]c3=O)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N07 compound treatment 0.435 -0.00153 -0.07 0.428 -0.0132 -0.79 -0.6117 -0.769 3123174 ChemDiv3_008389 Oc1ccc(cc1)c2cc(no2)C(=O)N3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N08 compound treatment 0.442 0.00547 0.26 0.436 -0.00516 -0.31 -0.0352 -0.0868 3123353 ChemDiv3_008390 COc1ccccc1N2C(=O)C3C(NC(Cc4ccccc4)(C3C2=O)C(=O)O)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N09 compound treatment 0.434 -0.00253 -0.12 0.437 -0.00416 -0.25 -0.2623 -0.944 3029054 ChemDiv3_008391 COc1cccc(c1)c2cc(no2)C(=O)N(C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N10 compound treatment 0.436 -5.31E-4 -0.03 0.44 -0.00116 -0.07 -0.0671 -0.9062 3123354 ChemDiv3_008392 CCOc1ccc(CCNC(=O)c2cn(CC(C)C)c(=O)c3n(C)c4ccccc4c23)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N11 compound treatment 0.443 0.00647 0.31 0.447 0.00584 0.35 0.4668 0.9978 3029055 ChemDiv3_008393 CCOC(=O)c1c(NC(=O)c2cc(on2)c3ccc4OCOc4c3)sc5CCCCc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N12 compound treatment 0.434 -0.00253 -0.12 0.434 -0.00716 -0.43 -0.39 -0.8716 3123355 ChemDiv3_008394 NNC(=O)CNc1c(nc2ccccn12)c3ccsc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N13 compound treatment 0.452 0.0155 0.74 0.45 0.00884 0.53 0.8979 0.9872 3029056 ChemDiv3_008395 O=C(N1CCCc2ccccc12)c3cc(on3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N14 compound treatment 0.434 -0.00253 -0.12 0.434 -0.00716 -0.43 -0.39 -0.8716 3123356 ChemDiv3_008396 CN(C1CCCCC1)C(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N15 compound treatment 0.502 0.0655 3.12 0.484 0.0428 2.58 4.0309 0.9955 3029057 ChemDiv3_008397 CC(C)CNC(=O)c1cc(on1)c2ccccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N16 compound treatment 0.469 0.0325 1.55 0.457 0.0158 0.95 1.769 0.973 3123357 ChemDiv3_008398 CCOc1ccc(cc1)n2c(=O)n(CC(=O)NC3CCCC3)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N17 compound treatment 0.444 0.00747 0.36 0.448 0.00684 0.41 0.5431 0.9974 3029058 ChemDiv3_008399 O=C(NCc1ccccc1)c2cc(on2)C3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N18 compound treatment 0.505 0.0685 3.26 0.504 0.0628 3.78 4.9835 0.9973 3123358 ChemDiv3_008400 Cc1ccc(cc1F)n2c(=O)n(CC(=O)c3ccc(Br)cc3)c4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N19 compound treatment 0.442 0.00547 0.26 0.449 0.00784 0.47 0.5183 0.9608 3029059 ChemDiv3_008401 CC(C)c1cc(no1)C(=O)Nc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N20 compound treatment 0.442 0.00547 0.26 0.436 -0.00516 -0.31 -0.0352 -0.0868 3123359 ChemDiv3_008402 COc1ccc(CNC(=O)CCn2c(=O)n(Cc3cc(C)ccc3C)c4ccsc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N21 compound treatment 0.437 4.69E-4 0.02 0.44 -0.00116 -0.07 -0.0334 -0.4572 3029060 ChemDiv3_008403 O=C(N1CCCCC1)c2noc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N22 compound treatment 0.48 0.0435 2.07 0.479 0.0378 2.28 3.0764 0.9989 3123360 ChemDiv3_008404 O=C(NCc1ccco1)c2ccc(Cn3c(=O)n(Cc4ccccc4C#N)c5ccsc5c3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N23 mock treatment 0.432 -0.00453 -0.22 0.438 -0.00316 -0.19 -0.2871 -0.998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 N24 mock treatment 0.434 -0.00253 -0.12 0.444 0.00284 0.17 0.0357 0.1707 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O01 compound treatment 0.464 0.0275 1.31 0.446 0.00484 0.29 1.1321 0.8439 3029061 ChemDiv3_008405 CC1(CC2NC(=O)N1Cc3ccccc3)Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O02 compound treatment 0.451 0.0145 0.69 0.459 0.0178 1.07 1.2474 0.977 3123361 ChemDiv3_008406 CC1=C(C(c2ccc(Br)cc2)n3c(N1)nc4ccccc34)C(=O)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O03 compound treatment 0.437 4.69E-4 0.02 0.442 8.44E-4 0.05 0.0517 0.932 3123362 ChemDiv3_008407 CC(NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O04 compound treatment 0.441 0.00447 0.21 0.452 0.0108 0.65 0.6123 0.8916 3029062 ChemDiv3_008408 NC1=NC(CC(=O)N1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O05 compound treatment 0.504 0.0675 3.22 0.517 0.0758 4.57 5.5032 0.9853 3029063 ChemDiv3_008409 COc1ccc(NC(=O)Cn2c(cn(c3ccc(C)cc3)c2=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O06 compound treatment 0.46 0.0235 1.12 0.479 0.0378 2.28 2.4023 0.9464 3123363 ChemDiv3_008410 CC(C)Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O07 compound treatment 0.442 0.00547 0.26 0.434 -0.00716 -0.43 -0.1203 -0.239 3123364 ChemDiv3_008411 O=c1sc(nc2ccsc12)N3CCN(CC3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O08 compound treatment 0.443 0.00647 0.31 0.459 0.0178 1.07 0.9777 0.8747 3029064 ChemDiv3_008412 CC(C)(C)NS(=O)(=O)c1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O09 compound treatment 0.457 0.0205 0.98 0.465 0.0238 1.44 1.7051 0.9823 3029065 ChemDiv3_008413 COC(=O)c1sccc1NC(=S)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O10 compound treatment 0.45 0.0135 0.64 0.445 0.00384 0.23 0.6176 0.905 1674734 ChemDiv3_008414 NC(=O)c1ccccc1NS(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O11 compound treatment 0.442 0.00547 0.26 0.462 0.0208 1.25 1.0718 0.8361 3123365 ChemDiv3_008415 CCOC(=O)c1ccccc1NC(=S)N(C)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O12 compound treatment 0.48 0.0435 2.07 0.501 0.0598 3.6 4.0131 0.9655 3029066 ChemDiv3_008416 O=C(NC1CCCC1)c2cc(=O)[nH]c3ccc(cc23)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O13 compound treatment 0.452 0.0155 0.74 0.438 -0.00316 -0.19 0.387 0.5083 3123366 ChemDiv3_008417 Cc1cccc(C)c1NC2=NC3CS(=O)(=O)CC3S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O14 compound treatment 0.448 0.0115 0.55 0.452 0.0108 0.65 0.8483 0.9961 3123367 ChemDiv3_008418 Cc1ccc(CNC(=O)COc2ccc3OC4(CCCCC4)CC(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O15 compound treatment 0.476 0.0395 1.88 0.474 0.0328 1.98 2.7287 0.9997 3029067 ChemDiv3_008419 O=c1[nH]c2ccccc2c3nc(nn13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O16 compound treatment 0.435 -0.00153 -0.07 0.43 -0.0112 -0.67 -0.5266 -0.7794 3123368 ChemDiv3_008420 CCc1ccc(CNc2ccc3n(C)cnc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O17 compound treatment 0.441 0.00447 0.21 0.444 0.00284 0.17 0.2717 0.9941 3029068 ChemDiv3_008421 CN(Cc1ccccc1)c2nc3c(nnn3c4ccccc24)S(=O)(=O)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O18 compound treatment 0.454 0.0175 0.83 0.461 0.0198 1.19 1.4337 0.9844 3123369 ChemDiv3_008422 CCCn1cnc2cc(NCc3cccs3)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O19 compound treatment 0.485 0.0485 2.31 0.488 0.0468 2.82 3.6281 0.9951 3123370 ChemDiv3_008423 Fc1ccc(Cn2c(=O)c3ccccc3n4c(=O)[nH]nc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O20 compound treatment 0.438 0.00147 0.07 0.453 0.0118 0.71 0.5538 0.7728 3029069 ChemDiv3_008424 CCc1cccc(NS(=O)(=O)c2ccc3NC(=O)CCc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O21 compound treatment 0.529 0.0925 4.41 0.524 0.0828 4.99 6.644 0.9981 3123371 ChemDiv3_008425 Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O22 compound treatment 0.448 0.0115 0.55 0.454 0.0128 0.77 0.9334 0.9856 3029070 ChemDiv3_008426 COC(CN(C)S(=O)(=O)c1cccc2cccnc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O23 mock treatment 0.434 -0.00253 -0.12 0.441 -1.56E-4 -0.01 -0.092 -0.7599 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 O24 mock treatment 0.443 0.00647 0.31 0.449 0.00784 0.47 0.552 0.9787 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P01 compound treatment 0.439 0.00247 0.12 0.446 0.00484 0.29 0.2894 0.9203 3123372 ChemDiv3_008427 CCOc1ccccc1N(C)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P02 compound treatment 0.469 0.0325 1.55 0.464 0.0228 1.38 2.067 0.9983 3029071 ChemDiv3_008428 O=C(NCc1ccccc1)c2noc-3c2CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P03 compound treatment 0.455 0.0185 0.88 0.455 0.0138 0.83 1.2119 0.9996 3123373 ChemDiv3_008429 COc1ccc(cc1)N2CCN(CC2)C(=O)CCNS(=O)(=O)c3ccc(Br)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P04 compound treatment 0.447 0.0105 0.5 0.448 0.00684 0.41 0.6442 0.9955 3123374 ChemDiv3_008430 COc1ccc2-c3onc(C(=O)N(C)c4ccccc4)c3CCc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P05 compound treatment 0.449 0.0125 0.59 0.451 0.00984 0.59 0.8394 1.0 3029072 ChemDiv3_008431 Cn1c2ccccc2c3c(cn(C)c(=O)c13)C(=O)NCCCN4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P06 compound treatment 0.449 0.0125 0.59 0.443 0.00184 0.11 0.4988 0.8249 3123375 ChemDiv3_008432 FC(F)(F)c1cc(nc(n1)n2cccn2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P07 compound treatment 0.449 0.0125 0.59 0.44 -0.00116 -0.07 0.3711 0.62 3029073 ChemDiv3_008433 CC(C)NC(=O)c1cc(on1)c2ccc(O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P08 compound treatment 0.443 0.00647 0.31 0.439 -0.00216 -0.13 0.1262 0.3773 3123376 ChemDiv3_008434 COc1ccc(cc1)C2NC(CC(C)C)(C3C2C(=O)N(C3=O)c4ccccc4OC)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P09 compound treatment 0.449 0.0125 0.59 0.448 0.00684 0.41 0.7117 0.984 3029074 ChemDiv3_008435 COc1cccc(c1)c2cc(no2)C(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P10 compound treatment 0.438 0.00147 0.07 0.44 -0.00116 -0.07 3.0E-4 0.0028 3123377 ChemDiv3_008436 CC(C)CCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P11 compound treatment 0.476 0.0395 1.88 0.47 0.0288 1.74 2.5584 0.9992 3123378 ChemDiv3_008437 Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c3cc(on3)c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P12 compound treatment 0.493 0.0565 2.69 0.492 0.0508 3.06 4.0681 0.9979 3029075 ChemDiv3_008438 CC(C)c1ccc(Nc2c(nc3[nH]cnn23)c4ccc(cc4)N(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P13 compound treatment 0.461 0.0245 1.17 0.459 0.0178 1.07 1.5845 0.9992 3029076 ChemDiv3_008439 CC(C)CNC(=O)c1cc(on1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P14 compound treatment 0.432 -0.00453 -0.22 0.443 0.00184 0.11 -0.0742 -0.3057 3120512 ChemDiv3_008440 CCOC(=O)C1CCN(CC1)C(=O)C2C3N(CCc4ccccc34)C(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P15 compound treatment 0.423 -0.0135 -0.65 0.422 -0.0192 -1.15 -1.2717 -0.9623 3029077 ChemDiv3_008441 CCN(CC)C(=O)c1cc(on1)c2ccccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P16 compound treatment 0.489 0.0525 2.5 0.473 0.0318 1.92 3.1243 0.9914 3120313 ChemDiv3_008442 FC(F)(F)c1cccc(c1)n2c(=O)n(CC(=O)N3CCCc4ccccc34)c5ccsc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P17 compound treatment 0.459 0.0225 1.07 0.463 0.0218 1.32 1.6874 0.9948 3029078 ChemDiv3_008443 CCC(C)NC(=O)c1cc(on1)C2CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P18 compound treatment 0.49 0.0535 2.55 0.461 0.0198 1.19 2.6471 0.9404 3120314 ChemDiv3_008444 Cc1cccc(NC(=O)Cn2c(=O)n(c3ccc(F)cc3)c(=O)c4sccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P19 compound treatment 0.452 0.0155 0.74 0.444 0.00284 0.17 0.6425 0.8487 3029079 ChemDiv3_008445 CCCc1cc(no1)C(=O)N(C2CCCCC2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P20 compound treatment 0.442 0.00547 0.26 0.442 8.44E-4 0.05 0.2203 0.8293 3120315 ChemDiv3_008446 COc1ccc(CNC(=O)CCn2c(=O)n(CC(=O)N3CCCCC3C)c4ccsc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P21 compound treatment 0.448 0.0115 0.55 0.448 0.00684 0.41 0.678 0.9903 3029080 ChemDiv3_008447 O=C(N(C1CCCCC1)C2CCCCC2)c3noc4CCCCc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P22 compound treatment 0.437 4.69E-4 0.02 0.44 -0.00116 -0.07 -0.0334 -0.4572 3120316 ChemDiv3_008448 Cc1ccc(CNC(=O)Cc2ccc(cc2)n3c(=O)n(Cc4ccccc4)c5ccsc5c3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P23 mock treatment 0.446 0.00947 0.45 0.449 0.00784 0.47 0.6531 0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2024 P24 mock treatment 0.417 -0.0195 -0.93 0.443 0.00184 0.11 -0.5799 -0.6184 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A01 compound treatment 0.492 0.0509 2.43 0.477 0.0394 2.37 3.3928 0.9999 3120317 ChemDiv3_008449 O=C(Cc1ccc(cc1)n2c(=O)n(Cc3ccccc3C#N)c4ccsc4c2=O)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A02 compound treatment 0.439 -0.00209 -0.1 0.436 -0.00161 -0.1 -0.1392 -0.9999 3029081 ChemDiv3_008450 CN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A03 compound treatment 0.444 0.00291 0.14 0.434 -0.00361 -0.22 -0.0559 -0.2166 3029082 ChemDiv3_008451 O=C(Nc1ccccc1)c2cc3c(=O)n4ccccc4nc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A04 compound treatment 0.438 -0.00309 -0.15 0.439 0.00139 0.08 -0.0452 -0.2669 3029144 ChemDiv3_008452 CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(c3ccc(C)cc3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A05 compound treatment 0.432 -0.00909 -0.43 0.428 -0.00961 -0.58 -0.7158 -0.9899 1281503 ChemDiv3_008453 CCCCn1c(=O)c2ccccc2c3ccccc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A06 compound treatment 0.476 0.0349 1.66 0.482 0.0444 2.67 3.0664 0.974 3029145 ChemDiv3_008454 O=C(CCn1c(=O)n(Cc2ccccc2)c3ccccc3c1=O)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A07 compound treatment 0.446 0.00491 0.23 0.423 -0.0146 -0.88 -0.4568 -0.5017 3029146 ChemDiv3_008455 COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A08 compound treatment 0.438 -0.00309 -0.15 0.441 0.00339 0.2 0.0399 0.1586 3029147 ChemDiv3_008456 Fc1ccc(cc1)C(=O)Cn2c(=O)n(CCCC(=O)NC3CCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A09 compound treatment 0.457 0.0159 0.76 0.459 0.0214 1.29 1.4467 0.9681 3029148 ChemDiv3_008457 CC1(CC2/C(=C(/O)\C=C\c3ccccc3)/C(=O)N1)Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A10 compound treatment 0.441 -9.38E-5 0.0 0.438 3.87E-4 0.02 0.0133 0.5613 3120318 ChemDiv3_008458 CN(C1CCCCC1)C(=O)Cn2c(=O)n(CCC(=O)NCCc3ccccc3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A11 compound treatment 0.499 0.0579 2.76 0.493 0.0554 3.33 4.31 0.9956 3029149 ChemDiv3_008459 O=C/1/C(=C/c2cccnc2)/CS\C1=C/c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A12 compound treatment 0.446 0.00491 0.23 0.444 0.00639 0.38 0.4373 0.9716 3120319 ChemDiv3_008460 CCCCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c3cc(OC)c(OC)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A13 compound treatment 0.552 0.111 5.29 0.53 0.0924 5.56 7.6717 0.9997 3029150 ChemDiv3_008461 CCCSC1=N/C(=C/c2cccs2)/C(=O)N1c3ccc(F)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A14 compound treatment 0.426 -0.0151 -0.72 0.402 -0.0356 -2.14 -2.025 -0.8953 3120320 ChemDiv3_008462 CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(nc3c2)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A15 compound treatment 0.433 -0.00809 -0.39 0.431 -0.00661 -0.4 -0.5544 -0.9999 3120321 ChemDiv3_008463 CC1(C)N=C(SCC(=O)Nc2ccccc2)C(=N1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A16 compound treatment 0.46 0.0189 0.9 0.445 0.00739 0.44 0.9518 0.947 3029151 ChemDiv3_008464 CCOC(=O)c1ccc(NC(=O)CSc2nccn2c3cccc(C)c3C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A17 compound treatment 0.46 0.0189 0.9 0.442 0.00439 0.26 0.8241 0.8774 3120322 ChemDiv3_008465 Clc1ccc(cc1)C(=O)CSC2=NN3CCCC(=O)N=C3S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A18 compound treatment 0.437 -0.00409 -0.2 0.433 -0.00461 -0.28 -0.3344 -0.9851 3120323 ChemDiv3_008466 CCN1CCN(CC1)c2cc(C)c3cc(NC(=S)N(C)Cc4ccccc4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A19 compound treatment 0.433 -0.00809 -0.39 0.429 -0.00861 -0.52 -0.6395 -0.9894 3029152 ChemDiv3_008467 Clc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A20 compound treatment 0.437 -0.00409 -0.2 0.424 -0.0136 -0.82 -0.7176 -0.8517 3120324 ChemDiv3_008468 CC1CCCC(C)N1CCNC(=O)Nc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A21 compound treatment 0.426 -0.0151 -0.72 0.428 -0.00961 -0.58 -0.918 -0.9942 3029153 ChemDiv3_008469 CCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c3c4CCCc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A22 compound treatment 0.431 -0.0101 -0.48 0.431 -0.00661 -0.4 -0.6218 -0.9956 3120325 ChemDiv3_008470 Clc1ccc(NC(=O)NCCN2CCN(CC2)c3cccc(Cl)c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A23 mock treatment 0.43 -0.0111 -0.53 0.426 -0.0116 -0.7 -0.8684 -0.9905 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 A24 mock treatment 0.432 -0.00909 -0.43 0.424 -0.0136 -0.82 -0.8861 -0.9557 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B01 compound treatment 0.455 0.0139 0.66 0.462 0.0244 1.47 1.507 0.9354 3120326 ChemDiv3_008471 C(C1COC(O1)(c2ccccc2)c3ccccc3)n4cncn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B02 compound treatment 0.45 0.00891 0.42 0.441 0.00339 0.2 0.4444 0.9436 3029154 ChemDiv3_008472 Fc1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B03 compound treatment 0.455 0.0139 0.66 0.449 0.0114 0.69 0.9535 0.9999 3120327 ChemDiv3_008473 CC(C)CCNC(=O)C1C(N(C)C(=O)c2ccccc12)c3cn(C)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B04 compound treatment 0.515 0.0739 3.52 0.506 0.0684 4.12 5.4028 0.997 3029155 ChemDiv3_008474 Cc1cc2ccccc2n1CCNC(=O)C3(CCCC3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B05 compound treatment 0.455 0.0139 0.66 0.447 0.00939 0.57 0.8684 0.9968 3120328 ChemDiv3_008475 Brc1ccc(s1)S(=O)(=O)NC(C(=O)N2CCOCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B06 compound treatment 0.446 0.00491 0.23 0.444 0.00639 0.38 0.4373 0.9716 1299511 ChemDiv3_008476 CC1CCCC(N1C(=O)CCS)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B07 compound treatment 0.503 0.0619 2.95 0.489 0.0514 3.09 4.2745 0.9997 3120329 ChemDiv3_008477 COc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c4cccc5nonc45)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B08 compound treatment 0.555 0.114 5.43 0.545 0.107 6.47 8.4115 0.9962 3029156 ChemDiv3_008478 CCOC(=O)C1C(CC(=CC1=O)c2cccc(OC)c2)c3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B09 compound treatment 0.439 -0.00209 -0.1 0.439 0.00139 0.08 -0.0115 -0.0885 3120330 ChemDiv3_008479 Clc1ccccc1CN2COc3cc4OCOc4cc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B10 compound treatment 0.466 0.0249 1.19 0.466 0.0284 1.71 2.0481 0.9842 3120331 ChemDiv3_008480 CC1CC(C)CN(C1)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B11 compound treatment 0.443 0.00191 0.09 0.447 0.00939 0.57 0.4639 0.8104 3029157 ChemDiv3_008481 COC(=O)C1C(C)Cc2[nH]c(C(=O)OC(C)C)c(C)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B12 compound treatment 0.452 0.0109 0.52 0.447 0.00939 0.57 0.7673 0.9991 3120332 ChemDiv3_008482 CC1CC(C)CN(C1)C(=O)CSc2nnc(o2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B13 compound treatment 0.485 0.0439 2.09 0.47 0.0324 1.95 2.8588 0.9994 3029158 ChemDiv3_008483 CCCc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B14 compound treatment 0.454 0.0129 0.62 0.441 0.00339 0.2 0.5792 0.8937 3120333 ChemDiv3_008484 CCOC(=O)N1CCN(CC1)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B15 compound treatment 0.449 0.00791 0.38 0.447 0.00939 0.57 0.6662 0.9806 3029159 ChemDiv3_008485 Cc1cccc(c1)C2CC(=O)NC3=C2C(=O)CC(C3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B16 compound treatment 0.479 0.0379 1.81 0.478 0.0404 2.43 2.9972 0.9893 3120334 ChemDiv3_008486 COc1ccc(OC)c(c1)C(N2CCN(CC2)c3ccccc3)c4c(O)[nH]c(=S)[nH]c4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B17 compound treatment 0.465 0.0239 1.14 0.458 0.0204 1.23 1.6738 0.9993 3120335 ChemDiv3_008487 Cc1cc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B18 compound treatment 0.524 0.0829 3.95 0.507 0.0694 4.18 5.7487 0.9996 3029160 ChemDiv3_008488 CCOc1ccc(cc1)C(=O)/C=C(/Nc2cccc(C)c2)\C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B19 compound treatment 0.45 0.00891 0.42 0.459 0.0214 1.29 1.2108 0.893 3120336 ChemDiv3_008489 COc1cc(/C=C\C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B20 compound treatment 0.456 0.0149 0.71 0.452 0.0144 0.87 1.115 0.9952 3029161 ChemDiv3_008490 O=C(/C=C/1\Nc2ccccc2NC1=O)c3ccc(cc3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B21 compound treatment 0.45 0.00891 0.42 0.453 0.0154 0.93 0.9553 0.9374 3120337 ChemDiv3_008491 COc1ccc(cc1)S(=O)(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B22 compound treatment 0.503 0.0619 2.95 0.498 0.0604 3.64 4.6577 0.9946 3029162 ChemDiv3_008492 O=C(/C=C\1/Nc2ccccc2NC1=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B23 mock treatment 0.455 0.0139 0.66 0.449 0.0114 0.69 0.9535 0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 B24 mock treatment 0.44 -0.00109 -0.05 0.441 0.00339 0.2 0.1073 0.5099 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C01 compound treatment 0.445 0.00391 0.19 0.456 0.0184 1.11 0.9145 0.8146 3120338 ChemDiv3_008493 NC(=O)Cn1c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c(=O)c3sccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C02 compound treatment 0.433 -0.00809 -0.39 0.423 -0.0146 -0.88 -0.895 -0.9316 3029163 ChemDiv3_008494 CN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C03 compound treatment 0.468 0.0269 1.28 0.466 0.0284 1.71 2.1155 0.99 3120513 ChemDiv3_008495 CN(Cc1ccccc1)C(=O)c2cc3c(=O)n4cccc(C)c4nc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C04 compound treatment 0.487 0.0459 2.19 0.475 0.0374 2.25 3.1391 0.9999 3120514 ChemDiv3_008496 COc1cc(cc(OC)c1OC)n2c(=O)n(CC(=O)NCc3ccc(C)cc3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C05 compound treatment 0.491 0.0499 2.38 0.49 0.0524 3.15 3.9126 0.9903 1065885 ChemDiv3_008497 O=c1n(c2ccccc2)c(=O)c3ccccc3c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C06 compound treatment 0.451 0.00991 0.47 0.448 0.0104 0.63 0.7761 0.9904 3120515 ChemDiv3_008498 O=C(CCCCn1c(=O)n(Cc2ccccc2C#N)c3ccccc3c1=O)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C07 compound treatment 0.426 -0.0151 -0.72 0.426 -0.0116 -0.7 -1.0032 -0.9999 3029164 ChemDiv3_008499 COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C08 compound treatment 0.437 -0.00409 -0.2 0.432 -0.00561 -0.34 -0.377 -0.9659 3120516 ChemDiv3_008500 O=C(CCn1c(=O)n(CC(=O)NCc2ccco2)c3ccccc3c1=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C09 compound treatment 0.567 0.126 6.0 0.561 0.123 7.43 9.4972 0.9944 3120517 ChemDiv3_008501 COc1ccc(/C=C/C(=C/2\C3C4CCCCC4(NC2=O)Oc5ccccc35)/O)c(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C10 compound treatment 0.425 -0.0161 -0.77 0.426 -0.0116 -0.7 -1.0369 -0.9989 3029165 ChemDiv3_008502 O=C(CCn1c(=O)n(CC(=O)Nc2ccccc2)c3ccccc3c1=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C11 compound treatment 0.447 0.00591 0.28 0.443 0.00539 0.32 0.4284 0.9975 3029166 ChemDiv3_008503 COc1ccc(cc1)N2C(=O)/C(=C/c3ccccc3)/N=C2SCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C12 compound treatment 0.461 0.0199 0.95 0.449 0.0114 0.69 1.1558 0.9873 3120518 ChemDiv3_008504 Brc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C13 compound treatment 0.52 0.0789 3.76 0.514 0.0764 4.6 5.9119 0.995 3120519 ChemDiv3_008505 CCOC(=O)CSC1=N/C(=C/c2ccsc2)/C(=O)N1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C14 compound treatment 0.474 0.0329 1.57 0.466 0.0284 1.71 2.3178 0.9991 1371701 ChemDiv3_008506 Cc1ccc(C)c(c1)N2CCN(CC2)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C15 compound treatment 0.516 0.0749 3.57 0.505 0.0674 4.06 5.3939 0.998 3120520 ChemDiv3_008507 O=C(N1C(=S)C(=NC21CCCC2)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C16 compound treatment 0.428 -0.0131 -0.62 0.435 -0.00261 -0.16 -0.5526 -0.8585 3120521 ChemDiv3_008508 COc1cccc(c1)n2ccnc2SCC(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C17 compound treatment 0.5 0.0589 2.81 0.499 0.0614 3.7 4.5991 0.9908 3029167 ChemDiv3_008509 CCOc1ccc2nc(NC(=O)C3(CC3)S(=O)(=O)c4ccc(C)cc4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C18 compound treatment 0.433 -0.00809 -0.39 0.431 -0.00661 -0.4 -0.5544 -0.9999 3120522 ChemDiv3_008510 CCOc1ccc(cc1)N(CC)C(=S)Nc2ccc3nc(cc(C)c3c2)N4CCN(CC)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C19 compound treatment 0.424 -0.0171 -0.81 0.427 -0.0106 -0.64 -1.028 -0.9928 3029168 ChemDiv3_008511 Clc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C20 compound treatment 0.423 -0.0181 -0.86 0.42 -0.0176 -1.06 -1.3598 -0.9947 3120523 ChemDiv3_008512 Fc1ccc(NC(=S)NCCCN2CCCCCC2)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C21 compound treatment 0.426 -0.0151 -0.72 0.425 -0.0126 -0.76 -1.0458 -0.9996 3120524 ChemDiv3_008513 Cc1ccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c4c5CCCc5sc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C22 compound treatment 0.412 -0.0291 -1.39 0.411 -0.0266 -1.6 -2.1137 -0.9974 3029169 ChemDiv3_008514 Cc1cccc(N2CCN(CCNC(=S)Nc3c(C)cccc3C)CC2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C23 mock treatment 0.418 -0.0231 -1.1 0.411 -0.0266 -1.6 -1.9115 -0.9832 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 C24 mock treatment 0.425 -0.0161 -0.77 0.43 -0.00761 -0.46 -0.8666 -0.9697 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D01 compound treatment 0.461 0.0199 0.95 0.447 0.00939 0.57 1.0706 0.9694 1483037 ChemDiv3_008515 OC(=O)CC1(C(=O)c2ccccc2C1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D02 compound treatment 0.464 0.0229 1.09 0.466 0.0284 1.71 1.9807 0.9766 3120525 ChemDiv3_008516 O=C(CC(c1ccccc1)c2ccccc2)NCCn3ccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D03 compound treatment 0.438 -0.00309 -0.15 0.455 0.0174 1.05 0.636 0.6016 3120526 ChemDiv3_008517 CN1C(C(C(=O)NCCCN2CCCC2=O)c3ccccc3C1=O)c4cn(C)c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D04 compound treatment 0.474 0.0329 1.57 0.483 0.0454 2.73 3.0415 0.9653 3029170 ChemDiv3_008518 CCOc1ccc(CC(=O)NCCn2c(C)cc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D05 compound treatment 0.448 0.00691 0.33 0.448 0.0104 0.63 0.675 0.9551 3029171 ChemDiv3_008519 Brc1ccc(s1)S(=O)(=O)N2CCC(CC2)C(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D06 compound treatment 0.44 -0.00109 -0.05 0.43 -0.00761 -0.46 -0.361 -0.7825 3120527 ChemDiv3_008520 CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)CC(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D07 compound treatment 0.459 0.0179 0.85 0.452 0.0144 0.87 1.2161 1.0 3120528 ChemDiv3_008521 COc1ccc(CCNC(=O)C2CCCN(C2)S(=O)(=O)c3cccc4nonc34)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D08 compound treatment 0.507 0.0659 3.14 0.495 0.0574 3.46 4.6648 0.9989 3029172 ChemDiv3_008522 CCOC(=O)C1C(CC(=CC1=O)c2ccco2)c3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D09 compound treatment 0.436 -0.00509 -0.24 0.429 -0.00861 -0.52 -0.5384 -0.9402 3120529 ChemDiv3_008523 COc1ccc(CN2COc3ccc(OC)cc3C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D10 compound treatment 0.474 0.0329 1.57 0.473 0.0354 2.13 2.6158 0.9887 3120530 ChemDiv3_008524 OC(=O)c1[nH]c2ccc(Cl)cc2c1CC(=O)NCC3COc4ccccc4O3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D11 compound treatment 0.458 0.0169 0.81 0.456 0.0184 1.11 1.3527 0.9878 3029173 ChemDiv3_008525 CCOc1ccc(Br)cc1C2CC(=O)Nc3c(C)c(C)ccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D12 compound treatment 0.44 -0.00109 -0.05 0.443 0.00539 0.32 0.1925 0.5859 3120531 ChemDiv3_008526 COc1cccc(c1)c2nnc(SCC(=O)N3CCCC(C)C3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D13 compound treatment 0.449 0.00791 0.38 0.44 0.00239 0.14 0.3681 0.9127 3029234 ChemDiv3_008527 CCOc1ccccc1C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D14 compound treatment 0.447 0.00591 0.28 0.443 0.00539 0.32 0.4284 0.9975 3029235 ChemDiv3_008528 O=C(CSc1nnc(o1)C2COc3ccccc3O2)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D15 compound treatment 0.439 -0.00209 -0.1 0.433 -0.00461 -0.28 -0.267 -0.9046 3029236 ChemDiv3_008529 FC(F)(F)c1ccccc1C2CC(=O)NC3=C2C(=O)CC(C3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D16 compound treatment 0.472 0.0309 1.47 0.47 0.0324 1.95 2.4206 0.9904 3029237 ChemDiv3_008530 COc1cccc(C(N2CCOCC2)c3c(O)[nH]c(=S)[nH]c3=O)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D17 compound treatment 0.448 0.00691 0.33 0.452 0.0144 0.87 0.8453 0.9122 3029238 ChemDiv3_008531 Cc1ccc(cc1)C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D18 compound treatment 0.49 0.0489 2.33 0.493 0.0554 3.33 4.0066 0.9847 3029239 ChemDiv3_008532 CCOc1ccc(cc1)C(=O)/C=C(\O)/C(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D19 compound treatment 0.44 -0.00109 -0.05 0.441 0.00339 0.2 0.1073 0.5099 3120532 ChemDiv3_008533 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D20 compound treatment 0.486 0.0449 2.14 0.474 0.0364 2.19 3.0629 0.9999 3120533 ChemDiv3_008534 COc1cccc(c1)C(=O)/C=C/2\Nc3ccc(cc3NC2=O)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D21 compound treatment 0.529 0.0879 4.19 0.524 0.0864 5.2 6.641 0.9943 3029240 ChemDiv3_008535 CC1Cc2nc(SC/C=C/c3ccccc3)n(C)c(=O)c2S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D22 compound treatment 0.44 -0.00109 -0.05 0.436 -0.00161 -0.1 -0.1055 -0.9575 3120534 ChemDiv3_008536 Cc1ccc2nsnc2c1NC(=O)CC3(C[C@H]4C[C@@H]5C[C@H](C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D23 mock treatment 0.44 -0.00109 -0.05 0.44 0.00239 0.14 0.0648 0.4236 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 D24 mock treatment 0.435 -0.00609 -0.29 0.435 -0.00261 -0.16 -0.3166 -0.9585 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E01 compound treatment 0.447 0.00591 0.28 0.455 0.0174 1.05 0.9393 0.8665 3029241 ChemDiv3_008537 COc1cccc(c1)n2c(=O)n(CC(=O)NCCC3=CCCCC3)c4sc(C)c(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E02 compound treatment 0.459 0.0179 0.85 0.447 0.00939 0.57 1.0032 0.98 3120535 ChemDiv3_008538 CN(CC(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E03 compound treatment 0.444 0.00291 0.14 0.432 -0.00561 -0.34 -0.141 -0.3861 3120536 ChemDiv3_008539 CCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E04 compound treatment 0.449 0.00791 0.38 0.446 0.00839 0.5 0.6236 0.9896 3029242 ChemDiv3_008540 CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E05 compound treatment 0.439 -0.00209 -0.1 0.441 0.00339 0.2 0.0736 0.3243 3120537 ChemDiv3_008541 COC(=O)CSc1nnc(c2ccncc2)n1c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E06 compound treatment 0.451 0.00991 0.47 0.444 0.00639 0.38 0.6058 0.9948 3120702 ChemDiv3_008542 CCC1CCCCN1C(=O)Cn2c(=O)n(C3CCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E07 compound treatment 0.453 0.0119 0.57 0.442 0.00439 0.26 0.5881 0.9394 3029243 ChemDiv3_008543 COC(=O)CSc1nnc(CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E08 compound treatment 0.521 0.0799 3.81 0.511 0.0734 4.42 5.8179 0.9973 3120703 ChemDiv3_008544 CCN(C(=O)Cn1c(=O)n(Cc2ccc3OCOc3c2)c(=O)c4ccccc14)c5cccc(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E09 compound treatment 0.483 0.0419 2.0 0.489 0.0514 3.09 3.6004 0.9776 3029244 ChemDiv3_008545 FC(F)(F)C(=O)Nc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E10 compound treatment 0.473 0.0319 1.52 0.46 0.0224 1.35 2.0286 0.9982 3120704 ChemDiv3_008546 Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccccc3Cl)c(=O)c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E11 compound treatment 0.579 0.138 6.57 0.586 0.148 8.93 10.966 0.9886 3029245 ChemDiv3_008547 COc1ccccc1/C=C/2\CS/C(=C\c3ccccc3OC)/C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E12 compound treatment 0.456 0.0149 0.71 0.463 0.0254 1.53 1.5833 0.9393 3120705 ChemDiv3_008548 Cc1ccccc1Cn2c(=O)n(CCCS(=O)(=O)C3CCCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E13 compound treatment 0.45 0.00891 0.42 0.443 0.00539 0.32 0.5296 0.9912 3029246 ChemDiv3_008549 CC1(C)NC(=S)C(=N1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E14 compound treatment 0.465 0.0239 1.14 0.464 0.0264 1.59 1.9292 0.9867 1177109 ChemDiv3_008550 CC1Cc2ccccc2N1S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E15 compound treatment 0.474 0.0329 1.57 0.451 0.0134 0.81 1.6791 0.9521 3029247 ChemDiv3_008551 CC1(C)N=C(C(=S)N1C(=O)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E16 compound treatment 0.446 0.00491 0.23 0.448 0.0104 0.63 0.6076 0.91 3120706 ChemDiv3_008552 CCC(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E17 compound treatment 0.44 -0.00109 -0.05 0.455 0.0174 1.05 0.7034 0.6711 3029248 ChemDiv3_008553 Cc1ccc(CNC(=O)C2(CC2)S(=O)(=O)c3ccc(C)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E18 compound treatment 0.444 0.00291 0.14 0.445 0.00739 0.44 0.4125 0.8854 3120707 ChemDiv3_008554 CCN1CCN(CC1)c2cc(C)c3cc(NC(=S)NCc4ccc(C)cc4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E19 compound treatment 0.437 -0.00409 -0.2 0.44 0.00239 0.14 -0.0364 -0.15 3120708 ChemDiv3_008555 CC1CCN(CCCNC(=O)C2(CC2)S(=O)(=O)c3ccc(Cl)cc3)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E20 compound treatment 0.489 0.0479 2.28 0.491 0.0534 3.21 3.8877 0.986 3029249 ChemDiv3_008556 CCOc1ccc(CCNC(=O)Nc2ccc(C)c(C)c2)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E21 compound treatment 0.443 0.00191 0.09 0.439 0.00139 0.08 0.1233 0.9991 3120709 ChemDiv3_008557 CCC1CCCCN1C(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c4c5CCCc5sc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E22 compound treatment 0.446 0.00491 0.23 0.437 -6.13E-4 -0.04 0.1393 0.5883 3029250 ChemDiv3_008558 COc1ccc(cc1)N2CCN(CCCNC(=S)Nc3c(C)cccc3C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E23 mock treatment 0.431 -0.0101 -0.48 0.435 -0.00261 -0.16 -0.4515 -0.8918 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 E24 mock treatment 0.444 0.00291 0.14 0.448 0.0104 0.63 0.5402 0.8433 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F01 compound treatment 0.456 0.0149 0.71 0.455 0.0174 1.05 1.2427 0.9822 3120710 ChemDiv3_008559 CCOc1ccc(NC(=S)NCCCn2ccnc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F02 compound treatment 0.462 0.0209 1.0 0.45 0.0124 0.75 1.2321 0.9898 3120711 ChemDiv3_008560 O=C(NCCn1ccc2ccccc12)c3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F03 compound treatment 0.484 0.0429 2.05 0.479 0.0414 2.49 3.2083 0.9952 1594156 ChemDiv3_008561 CCCCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F04 compound treatment 0.454 0.0129 0.62 0.455 0.0174 1.05 1.1753 0.9679 3120712 ChemDiv3_008562 Cc1cc(C)c2c(nn3c(cc(nc23)C(F)(F)F)C4CC4)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F05 compound treatment 0.478 0.0369 1.76 0.474 0.0364 2.19 2.7932 0.9941 3120713 ChemDiv3_008563 CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F06 compound treatment 0.454 0.0129 0.62 0.451 0.0134 0.81 1.005 0.9911 3029251 ChemDiv3_008564 COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F07 compound treatment 0.463 0.0219 1.04 0.459 0.0214 1.29 1.649 0.9946 3120714 ChemDiv3_008565 Cc1cccc(N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)c4cccc5nonc45)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F08 compound treatment 0.554 0.113 5.38 0.538 0.1 6.04 8.0798 0.9983 3029252 ChemDiv3_008566 CCOC(=O)C1C(CC(=CC1=O)c2ccc(C)cc2)c3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F09 compound treatment 0.454 0.0129 0.62 0.467 0.0294 1.77 1.6862 0.9001 3120715 ChemDiv3_008567 COc1ccccc1C2CC(=O)Nc3cc4CCCc4cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F10 compound treatment 0.488 0.0469 2.24 0.475 0.0374 2.25 3.1728 1.0 3029253 ChemDiv3_008568 CCN(C(=O)Cc1c([nH]c2ccc(Cl)cc12)C(=O)O)c3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F11 compound treatment 0.446 0.00491 0.23 0.448 0.0104 0.63 0.6076 0.91 3120716 ChemDiv3_008569 Cc1c([nH]c2CC(CC(=O)c12)c3ccc(cc3)C(C)(C)C)C(=O)Nc4ccc(C)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F12 compound treatment 0.464 0.0229 1.09 0.454 0.0164 0.99 1.4698 0.9987 3120717 ChemDiv3_008570 CCC1CCCCN1C(=O)CSc2nnc(o2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F13 compound treatment 0.466 0.0249 1.19 0.455 0.0174 1.05 1.5798 0.998 3029254 ChemDiv3_008571 CCOc1ccccc1C2CC(=O)NC(=C2C(=O)OCC3CCCCC3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F14 compound treatment 0.446 0.00491 0.23 0.446 0.00839 0.5 0.5225 0.9388 3120718 ChemDiv3_008572 COCCN1C(C(C(=O)NCc2ccco2)c3ccccc3C1=O)c4c[nH]c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F15 compound treatment 0.451 0.00991 0.47 0.454 0.0164 0.99 1.0316 0.9431 3029255 ChemDiv3_008573 CCc1ccc(cc1)C2CC(=O)NC3=C2C(=O)CCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F16 compound treatment 0.484 0.0429 2.05 0.484 0.0464 2.79 3.4212 0.9883 3120719 ChemDiv3_008574 COc1ccccc1C(N(Cc2ccccc2)C(C)C)c3c(O)[nH]c(=S)[nH]c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F17 compound treatment 0.455 0.0139 0.66 0.464 0.0264 1.59 1.5922 0.9249 3029256 ChemDiv3_008575 CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F18 compound treatment 0.48 0.0389 1.85 0.493 0.0554 3.33 3.6695 0.9616 3120720 ChemDiv3_008576 Cc1ccc(cc1C)C(=O)/C=C(\O)/C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F19 compound treatment 0.458 0.0169 0.81 0.448 0.0104 0.63 1.0121 0.9921 3120721 ChemDiv3_008577 CCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F20 compound treatment 0.488 0.0469 2.24 0.481 0.0434 2.61 3.4283 0.997 3029257 ChemDiv3_008578 CC(C)CC(=O)NC(=S)Nc1cccc2nsnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F21 compound treatment 0.453 0.0119 0.57 0.457 0.0194 1.17 1.2267 0.9451 3120722 ChemDiv3_008579 CCc1ccc(NC(=O)CSc2nc3CC(C)Sc3c(=O)n2CC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F22 compound treatment 0.438 -0.00309 -0.15 0.443 0.00539 0.32 0.1251 0.351 3029258 ChemDiv3_008580 O=C(CC1(C[C@H]2C[C@@H]3C[C@H](C2)C1)C3)Nc4ccc5C(=O)OCc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F23 mock treatment 0.448 0.00691 0.33 0.44 0.00239 0.14 0.3344 0.931 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 F24 mock treatment 0.449 0.00791 0.38 0.45 0.0124 0.75 0.7939 0.95 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G01 compound treatment 0.44 -0.00109 -0.05 0.429 -0.00861 -0.52 -0.4036 -0.7743 3120723 ChemDiv3_008581 Cc1sc2n(Cc3cccc(C)c3)c(=O)n(Cc4ccccc4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G02 compound treatment 0.445 0.00391 0.19 0.445 0.00739 0.44 0.4462 0.9253 3120724 ChemDiv3_008582 COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G03 compound treatment 0.428 -0.0131 -0.62 0.433 -0.00461 -0.28 -0.6378 -0.9335 3029259 ChemDiv3_008583 CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G04 compound treatment 0.456 0.0149 0.71 0.445 0.00739 0.44 0.817 0.9745 3120725 ChemDiv3_008584 CCc1ccc(cc1)n2c(=O)n(CC(=O)C(C)(C)C)c3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G05 compound treatment 0.432 -0.00909 -0.43 0.437 -6.13E-4 -0.04 -0.3326 -0.7645 3029260 ChemDiv3_008585 CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G06 compound treatment 0.439 -0.00209 -0.1 0.447 0.00939 0.57 0.3291 0.5734 3120726 ChemDiv3_008586 CC1CCCCN1C(=O)Cn2c(=O)n(C3CCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G07 compound treatment 0.537 0.0959 4.57 0.523 0.0854 5.14 6.8681 0.9983 3029261 ChemDiv3_008587 Brc1cccc(c1)c2nnc3sc(CN4CCc5ccccc45)cn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G08 compound treatment 0.447 0.00591 0.28 0.437 -6.13E-4 -0.04 0.173 0.6092 3120906 ChemDiv3_008588 CC1CCCC(NC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G09 compound treatment 0.499 0.0579 2.76 0.498 0.0604 3.64 4.5228 0.9908 3029262 ChemDiv3_008589 CN(C)/C=N/c1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G10 compound treatment 0.443 0.00191 0.09 0.451 0.0134 0.81 0.6342 0.7819 3120907 ChemDiv3_008590 COc1ccc(CCn2c(=O)n(CC(=O)N(C)c3ccccc3)c4ccccc4c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G11 compound treatment 0.511 0.0699 3.33 0.522 0.0844 5.08 5.9491 0.9791 3120908 ChemDiv3_008591 Fc1ccc(cc1)c2n[nH]cc2/C=C/3\CS/C(=C\c4c[nH]nc4c5ccc(F)cc5)/C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G12 compound treatment 0.455 0.0139 0.66 0.454 0.0164 0.99 1.1664 0.9813 3029263 ChemDiv3_008592 Cc1ccccc1NC(=O)Cn2c(=O)n(CCCS(=O)(=O)C3CCCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G13 compound treatment 0.449 0.00791 0.38 0.44 0.00239 0.14 0.3681 0.9127 3120909 ChemDiv3_008593 S=C1NC2(CCCC2)N=C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G14 compound treatment 0.4 -0.0411 -1.96 0.391 -0.0466 -2.81 -3.3697 -0.9845 3120910 ChemDiv3_008594 Clc1ccccc1NS(=O)(=O)c2ccc3[nH]c(nc3c2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G15 compound treatment 0.468 0.0269 1.28 0.469 0.0314 1.89 2.2432 0.9822 3029264 ChemDiv3_008595 C(Sc1ncnc2c3ccccc3oc12)/C=C/c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G16 compound treatment 0.444 0.00291 0.14 0.449 0.0114 0.69 0.5828 0.8332 3120911 ChemDiv3_008596 CC(=O)Oc1c(c(C)nn1c2ccccc2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G17 compound treatment 0.451 0.00991 0.47 0.447 0.00939 0.57 0.7336 0.996 3029265 ChemDiv3_008597 Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G18 compound treatment 0.452 0.0109 0.52 0.448 0.0104 0.63 0.8099 0.9958 3120912 ChemDiv3_008598 CN1CCN(CC1)c2cc(C)c3cc(NC(=S)N4CCCCC4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G19 compound treatment 0.445 0.00391 0.19 0.437 -6.13E-4 -0.04 0.1056 0.5562 3120913 ChemDiv3_008599 CCOc1ccc(cc1)n2c(=O)n(CC(=O)NCC3CCCO3)c4sc5CCCCc5c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G20 compound treatment 0.441 -9.38E-5 0.0 0.44 0.00239 0.14 0.0985 0.6848 3029266 ChemDiv3_008600 CCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G21 compound treatment 0.445 0.00391 0.19 0.442 0.00439 0.26 0.3184 0.9854 3120914 ChemDiv3_008601 CCc1ccc(cc1)n2c(=O)n(CC(=O)N(C)C3CCCCC3)c4sc5CCCc5c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G22 compound treatment 0.431 -0.0101 -0.48 0.433 -0.00461 -0.28 -0.5366 -0.9659 3029392 ChemDiv3_008602 CCN1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G23 mock treatment 0.431 -0.0101 -0.48 0.43 -0.00761 -0.46 -0.6644 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 G24 mock treatment 0.437 -0.00409 -0.2 0.435 -0.00261 -0.16 -0.2492 -0.9943 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H01 compound treatment 0.436 -0.00509 -0.24 0.435 -0.00261 -0.16 -0.2829 -0.9779 3120915 ChemDiv3_008603 CSc1ccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H02 compound treatment 0.427 -0.0141 -0.67 0.433 -0.00461 -0.28 -0.6715 -0.9236 3029393 ChemDiv3_008604 COc1cc(/C=C/C(=O)NCCn2ccc3ccccc23)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H03 compound treatment 0.634 0.193 9.2 0.601 0.163 9.84 13.4586 0.9994 2106390 ChemDiv3_008605 COc1ccc(/C=C/2\N=C(NC2=O)SC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H04 compound treatment 0.436 -0.00509 -0.24 0.433 -0.00461 -0.28 -0.3681 -0.9978 3029394 ChemDiv3_008606 O=c1[nH]cc(/C=N/CCN2CCOCC2)c(Nc3ccccc3)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H05 compound treatment 0.476 0.0349 1.66 0.477 0.0394 2.37 2.8535 0.985 3120917 ChemDiv3_008607 CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H06 compound treatment 0.437 -0.00409 -0.2 0.44 0.00239 0.14 -0.0364 -0.15 3029395 ChemDiv3_008608 Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H07 compound treatment 0.461 0.0199 0.95 0.464 0.0264 1.59 1.7944 0.9697 3120918 ChemDiv3_008609 CC(NC(=O)C1CCCN(C1)S(=O)(=O)c2cccc3nonc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H08 compound treatment 0.437 -0.00409 -0.2 0.434 -0.00361 -0.22 -0.2918 -0.9985 3120919 ChemDiv3_008610 CCOc1cc2CCN3C(C(C(=O)N(C)Cc4ccccc4)c5ccccc5C3=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H09 compound treatment 0.476 0.0349 1.66 0.475 0.0374 2.25 2.7684 0.9889 3029396 ChemDiv3_008611 COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H10 compound treatment 0.43 -0.0111 -0.53 0.443 0.00539 0.32 -0.1446 -0.2331 3120920 ChemDiv3_008612 Cc1ccc(cc1)c2noc(CCC(=O)NCCCN3CCN(CC3)c4ccc(F)cc4)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H11 compound treatment 0.444 0.00291 0.14 0.445 0.00739 0.44 0.4125 0.8854 3029438 ChemDiv3_008613 COc1cc(OC)c2C(CC(=O)Nc2c1)c3ccccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H12 compound treatment 0.449 0.00791 0.38 0.45 0.0124 0.75 0.7939 0.95 3120921 ChemDiv3_008614 CC1CCCCN1C(=O)CSc2nnc(o2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H13 compound treatment 0.488 0.0469 2.24 0.478 0.0404 2.43 3.3006 0.9991 3120922 ChemDiv3_008615 CC1=C(C(CC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H14 compound treatment 0.5 0.0589 2.81 0.492 0.0544 3.27 4.3011 0.9971 3029439 ChemDiv3_008616 CCc1ccc(NC(=O)C2C(N(CCOC)C(=O)c3ccccc23)c4c[nH]c5ccccc45)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H15 compound treatment 0.453 0.0119 0.57 0.452 0.0144 0.87 1.0139 0.979 3120923 ChemDiv3_008617 CC1=C(C(CC(=O)N1)c2ccccc2C(F)(F)F)C(=O)OC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H16 compound treatment 0.489 0.0479 2.28 0.493 0.0554 3.33 3.9729 0.9829 3120924 ChemDiv3_008618 CCc1ccc(cc1)N2C(=S)N(C3CC2(C)Oc4ccccc34)C(=O)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H17 compound treatment 0.453 0.0119 0.57 0.443 0.00539 0.32 0.6307 0.9648 3029440 ChemDiv3_008619 COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccc4OCOc4c3)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H18 compound treatment 0.452 0.0109 0.52 0.459 0.0214 1.29 1.2782 0.9204 3120925 ChemDiv3_008620 Clc1ccc(cc1)C(=O)/C=C/2\Nc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H19 compound treatment 0.44 -0.00109 -0.05 0.439 0.00139 0.08 0.0222 0.2254 3120926 ChemDiv3_008621 COc1ccc2cc(CCNC(=O)COc3ccc4ccccc4c3)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H20 compound treatment 0.438 -0.00309 -0.15 0.43 -0.00761 -0.46 -0.4284 -0.8897 3029441 ChemDiv3_008622 Cc1cc(N2CCN(CC2)c3ccccc3)n4ncnc4n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H21 compound treatment 0.436 -0.00509 -0.24 0.432 -0.00561 -0.34 -0.4107 -0.9868 3029397 ChemDiv3_008623 CCCSc1nc2CC(C)Sc2c(=O)n1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H22 compound treatment 0.384 -0.0571 -2.72 0.391 -0.0466 -2.81 -3.909 -0.9999 3120927 ChemDiv3_008624 CCc1ccc(cc1)C(=O)/C=C/2\Sc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H23 mock treatment 0.436 -0.00509 -0.24 0.439 0.00139 0.08 -0.1126 -0.4387 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 H24 mock treatment 0.448 0.00691 0.33 0.428 -0.00961 -0.58 -0.1765 -0.265 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I01 compound treatment 0.447 0.00591 0.28 0.44 0.00239 0.14 0.3007 0.9513 3029398 ChemDiv3_008625 CCC(C)NC(=O)Cn1c(=O)n(c2ccc(Cl)c(Cl)c2)c(=O)c3c(C)c(C)sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I02 compound treatment 0.462 0.0209 1.0 0.455 0.0174 1.05 1.445 0.9997 3120928 ChemDiv3_008626 O=C(NC1CCCC1)C2CCN(CC2)S(=O)(=O)c3cccc4nonc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I03 compound treatment 0.493 0.0519 2.47 0.485 0.0474 2.85 3.7671 0.9975 3120929 ChemDiv3_008627 Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I04 compound treatment 0.475 0.0339 1.62 0.469 0.0314 1.89 2.4792 0.997 3029399 ChemDiv3_008628 CC(C)(C)c1ccc(Cn2c(=O)n(Cc3ccc4OCOc4c3)c(=O)c5ccccc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I05 compound treatment 0.438 -0.00309 -0.15 0.445 0.00739 0.44 0.2102 0.4486 3120930 ChemDiv3_008629 COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I06 compound treatment 0.447 0.00591 0.28 0.443 0.00539 0.32 0.4284 0.9975 3120931 ChemDiv3_008630 Cc1ccccc1Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I07 compound treatment 0.442 9.06E-4 0.04 0.455 0.0174 1.05 0.7708 0.7357 3029400 ChemDiv3_008631 Brc1cccc(c1)c2nnc3sc(CN4CCc5ccccc5C4)cn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I08 compound treatment 0.453 0.0119 0.57 0.445 0.00739 0.44 0.7158 0.9927 3120932 ChemDiv3_008632 Clc1ccc2c(=O)n(CCCC(=O)NC3CCCCCCC3)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I09 compound treatment 0.545 0.104 4.95 0.526 0.0884 5.32 7.2655 0.9994 3029401 ChemDiv3_008633 CCC(=O)Nc1cc2nc3[nH]c(=O)n(C4CCCCCC4)c(=O)c3nc2cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I10 compound treatment 0.446 0.00491 0.23 0.452 0.0144 0.87 0.7779 0.867 3121118 ChemDiv3_008634 COc1cc2n(CC(=O)NC3CCCCC3)c(=O)n(Cc4ccccc4Cl)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I11 compound treatment 0.566 0.125 5.95 0.561 0.123 7.43 9.4635 0.994 3029402 ChemDiv3_008635 CCSC1=N/C(=C\c2ccccc2)/C(=O)N1c3ccc(C)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I12 compound treatment 0.497 0.0559 2.67 0.491 0.0534 3.21 4.1574 0.9957 3121119 ChemDiv3_008636 COc1cccc(c1)C(=O)Cn2c(=O)n(CCCS(=O)(=O)C3CCCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I13 compound treatment 0.44 -0.00109 -0.05 0.444 0.00639 0.38 0.2351 0.6057 3029442 ChemDiv3_008637 CC1(C)NC(=O)C(=N1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I14 compound treatment 0.446 0.00491 0.23 0.44 0.00239 0.14 0.267 0.9727 3029443 ChemDiv3_008638 COc1ccc(NC(=O)CSc2nccn2c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I15 compound treatment 0.423 -0.0181 -0.86 0.428 -0.00961 -0.58 -1.0192 -0.9812 3121120 ChemDiv3_008639 CCOC(=O)C(C)Sc1ncnc2c3ccccc3oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I16 compound treatment 0.435 -0.00609 -0.29 0.447 0.00939 0.57 0.1942 0.3057 3121121 ChemDiv3_008640 COc1cc2CCN3C(C(C(=O)NC4CCCC(C)C4C)c5ccccc5C3=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I17 compound treatment 0.452 0.0109 0.52 0.438 3.87E-4 0.02 0.3841 0.7381 3029444 ChemDiv3_008641 CN(C1CCCCC1)C(=O)C2(CC2)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I18 compound treatment 0.452 0.0109 0.52 0.447 0.00939 0.57 0.7673 0.9991 3121122 ChemDiv3_008642 CCN1CCN(CCCNC(=S)Nc2ccc3nc(cc(C)c3c2)N4CCN(C)CC4)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I19 compound treatment 0.46 0.0189 0.9 0.462 0.0244 1.47 1.6756 0.9725 3029445 ChemDiv3_008643 COc1ccc(c(OC)c1)n2c(=O)n(CC(=O)Nc3cc(C)[nH]n3)c4sc5CCCCc5c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I20 compound treatment 0.434 -0.00709 -0.34 0.435 -0.00261 -0.16 -0.3504 -0.9394 1912372 ChemDiv3_008644 O=C(OCC1CC2CC1C=C2)c3cc4ccccc4oc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I21 compound treatment 0.445 0.00391 0.19 0.436 -0.00161 -0.1 0.063 0.3 3121123 ChemDiv3_008645 CCOc1ccc(cc1)n2c(=O)n(CC(=O)N(CC)CC)c3sc4CCCCCc4c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I22 compound treatment 0.442 9.06E-4 0.04 0.441 0.00339 0.2 0.1748 0.8383 3121124 ChemDiv3_008646 Cc1c(NC(=O)NCc2ccccc2)c(=O)n(c3ccccc3)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I23 mock treatment 0.438 -0.00309 -0.15 0.436 -0.00161 -0.1 -0.173 -0.9794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 I24 mock treatment 0.451 0.00991 0.47 0.431 -0.00661 -0.4 0.0524 0.0848 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J01 compound treatment 0.446 0.00491 0.23 0.448 0.0104 0.63 0.6076 0.91 3029446 ChemDiv3_008647 O=c1n(CCN2CCCCC2)c(=S)[nH]c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J02 compound treatment 0.428 -0.0131 -0.62 0.441 0.00339 0.2 -0.2972 -0.4525 3121125 ChemDiv3_008648 Cc1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J03 compound treatment 0.579 0.138 6.57 0.548 0.11 6.65 9.3482 1.0 3029447 ChemDiv3_008649 CSC1=N/C(=C\c2ccccc2Cl)/C(=O)N1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J04 compound treatment 0.513 0.0719 3.43 0.51 0.0724 4.36 5.5057 0.9929 3121126 ChemDiv3_008650 CCc1ccc(N/C=C/2\C(=O)Nc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J05 compound treatment 0.441 -9.38E-5 0.0 0.441 0.00339 0.2 0.141 0.6914 3121127 ChemDiv3_008651 CC(NC(=O)C1CCN(CC1)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J06 compound treatment 0.439 -0.00209 -0.1 0.445 0.00739 0.44 0.2439 0.5351 3029448 ChemDiv3_008652 Cc1cc(Br)ccc1NC(=O)CS(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J07 compound treatment 0.442 9.06E-4 0.04 0.447 0.00939 0.57 0.4302 0.7589 3121128 ChemDiv3_008653 Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)c4cccc5nonc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J08 compound treatment 0.441 -9.38E-5 0.0 0.438 3.87E-4 0.02 0.0133 0.5613 3029449 ChemDiv3_008654 CCOc1cc2CCN3C(C(C(=O)N4CCCCC4)c5ccccc5C3=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J09 compound treatment 0.428 -0.0131 -0.62 0.432 -0.00561 -0.34 -0.6803 -0.9585 1610300 ChemDiv3_008655 COc1ccc(cc1)N2COc3ccc(OC)cc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J10 compound treatment 0.429 -0.0121 -0.58 0.433 -0.00461 -0.28 -0.604 -0.9439 3029450 ChemDiv3_008656 CCCN(C(=O)CCc1nc(no1)c2ccccc2F)c3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J11 compound treatment 0.443 0.00191 0.09 0.446 0.00839 0.5 0.4213 0.8212 3121129 ChemDiv3_008657 Cc1cc(C)c2C(CC(=O)Nc2c1)c3cccc(Cl)c3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J12 compound treatment 0.441 -9.38E-5 0.0 0.441 0.00339 0.2 0.141 0.6914 3121130 ChemDiv3_008658 O=C(CSc1nnc(o1)c2ccco2)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J13 compound treatment 0.442 9.06E-4 0.04 0.457 0.0194 1.17 0.8559 0.7328 3029451 ChemDiv3_008659 COc1ccccc1C2CC(=O)NC(=C2C(=O)OC3CCCC3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J14 compound treatment 0.437 -0.00409 -0.2 0.439 0.00139 0.08 -0.0789 -0.3719 3121131 ChemDiv3_008660 COCCN1C(C(C(=O)NCCc2cccc(C)c2)c3ccccc3C1=O)c4c[nH]c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J15 compound treatment 0.445 0.00391 0.19 0.443 0.00539 0.32 0.361 0.9653 3121132 ChemDiv3_008661 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=O)CC3c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J16 compound treatment 0.533 0.0919 4.38 0.534 0.0964 5.8 7.2016 0.9904 3029452 ChemDiv3_008662 CC1(CC2N(C(=O)c3cccc(F)c3)C(=S)N1c4ccccc4)Oc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J17 compound treatment 0.45 0.00891 0.42 0.437 -6.13E-4 -0.04 0.2741 0.6432 3121133 ChemDiv3_008663 CCC(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J18 compound treatment 0.545 0.104 4.95 0.54 0.102 6.16 7.8615 0.9941 3029453 ChemDiv3_008664 COc1ccccc1C(=O)/C=C/2\Nc3cc4n(C)c(=O)n(C)c4cc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J19 compound treatment 0.445 0.00391 0.19 0.446 0.00839 0.5 0.4887 0.9081 3121134 ChemDiv3_008665 COc1ccc2cc(CCNC(=O)c3ccccc3)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J20 compound treatment 0.447 0.00591 0.28 0.448 0.0104 0.63 0.6413 0.9351 3121135 ChemDiv3_008666 COc1cccc(c1)C(=O)/C=C(\Nc2ccc3C(=O)OCc3c2)/C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J21 compound treatment 0.44 -0.00109 -0.05 0.442 0.00439 0.26 0.1499 0.5568 3029454 ChemDiv3_008667 COCCn1c(SCC(=O)N2CCOCC2)nc3CC(C)Sc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J22 compound treatment 0.509 0.0679 3.24 0.492 0.0544 3.27 4.6045 1.0 3121136 ChemDiv3_008668 O=C(/C=C\1/Nc2nonc2NC1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J23 mock treatment 0.433 -0.00809 -0.39 0.43 -0.00761 -0.46 -0.5969 -0.9963 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 J24 mock treatment 0.441 -9.38E-5 0.0 0.435 -0.00261 -0.16 -0.1144 -0.7269 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K01 compound treatment 0.444 0.00291 0.14 0.438 3.87E-4 0.02 0.1144 0.8146 3029455 ChemDiv3_008669 CC(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K02 compound treatment 0.449 0.00791 0.38 0.447 0.00939 0.57 0.6662 0.9806 3121137 ChemDiv3_008670 CCN(C(=O)C1CCN(CC1)S(=O)(=O)c2cccc3nonc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K03 compound treatment 0.476 0.0349 1.66 0.463 0.0254 1.53 2.2575 0.9991 3121138 ChemDiv3_008671 CC(NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K04 compound treatment 0.451 0.00991 0.47 0.45 0.0124 0.75 0.8613 0.9757 3029456 ChemDiv3_008672 Cc1cccc2nc(Cn3c(=O)n(CCC(=O)NCc4ccco4)c(=O)c5ccccc35)cc(=O)n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K05 compound treatment 0.445 0.00391 0.19 0.442 0.00439 0.26 0.3184 0.9854 3121139 ChemDiv3_008673 COC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K06 compound treatment 0.484 0.0429 2.05 0.484 0.0464 2.79 3.4212 0.9883 3121140 ChemDiv3_008674 Cc1ccc(Cn2c(=O)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c5ccccc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K07 compound treatment 0.434 -0.00709 -0.34 0.454 0.0164 0.99 0.4586 0.4397 3029457 ChemDiv3_008675 Brc1cccc(c1)c2nnc3sc(CNCCc4ccccc4)cn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K08 compound treatment 0.451 0.00991 0.47 0.45 0.0124 0.75 0.8613 0.9757 3121141 ChemDiv3_008676 COc1cccc(c1)C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c4cc(OC)c(OC)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K09 compound treatment 0.461 0.0199 0.95 0.461 0.0234 1.41 1.6667 0.9815 3029499 ChemDiv3_008677 C=CCN1C(=O)/C(=C\c2ccccc2)/SC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K10 compound treatment 0.454 0.0129 0.62 0.456 0.0184 1.11 1.2179 0.9616 3029500 ChemDiv3_008678 CCC1CCCCN1C(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c4cc(OC)c(OC)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K11 compound treatment 0.463 0.0219 1.04 0.463 0.0254 1.53 1.8193 0.9827 3029501 ChemDiv3_008679 CCSC1=N/C(=C\c2cccnc2)/C(=O)N1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K12 compound treatment 0.497 0.0559 2.67 0.499 0.0614 3.7 4.498 0.9871 3029502 ChemDiv3_008680 Cc1ccc(cc1)n2c(=O)n(Cc3cccc(C)c3)c4cc(ccc4c2=O)C(=O)NCc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K13 compound treatment 0.434 -0.00709 -0.34 0.442 0.00439 0.26 -0.0523 -0.122 3029503 ChemDiv3_008681 O=C1NC2(CCCC2)N=C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K14 compound treatment 0.451 0.00991 0.47 0.452 0.0144 0.87 0.9464 0.9593 3029504 ChemDiv3_008682 Fc1ccccc1NC(=O)CSc2nccn2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K15 compound treatment 0.444 0.00291 0.14 0.434 -0.00361 -0.22 -0.0559 -0.2166 3029505 ChemDiv3_008683 O=C(CSc1ncnc2c3ccccc3oc12)OCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K16 compound treatment 0.446 0.00491 0.23 0.454 0.0164 0.99 0.8631 0.8511 3121142 ChemDiv3_008684 CCN(CC)C(=O)C1C2N(CCc3cc(OC)c(OC)cc23)C(=O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K17 compound treatment 0.443 0.00191 0.09 0.444 0.00639 0.38 0.3362 0.8508 3029506 ChemDiv3_008685 CSc1cccc(NC(=O)C2(CC2)S(=O)(=O)c3ccc(C)cc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K18 compound treatment 0.458 0.0169 0.81 0.45 0.0124 0.75 1.0972 0.9993 3121143 ChemDiv3_008686 CN1CCN(CC1)c2cc(C)c3cc(NC(=S)NC4CC4)ccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K19 compound treatment 0.445 0.00391 0.19 0.444 0.00639 0.38 0.4036 0.9446 3121321 ChemDiv3_008687 Clc1cccc(Cn2c(=O)n(c3ccccc3)c(=O)c4c5CCCc5sc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K20 compound treatment 0.475 0.0339 1.62 0.489 0.0514 3.09 3.3307 0.9541 3029507 ChemDiv3_008688 Clc1ccc(cc1)c2cc(NC(=S)Nc3cccc(Cl)c3)n[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K21 compound treatment 0.442 9.06E-4 0.04 0.441 0.00339 0.2 0.1748 0.8383 3121322 ChemDiv3_008689 CCC(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c3c4CCCCc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K22 compound treatment 0.456 0.0149 0.71 0.447 0.00939 0.57 0.9021 0.9936 1315204 ChemDiv3_008690 Cc1c(n2c(=O)c3ccccc3[nH]c2=S)c(=O)n(c4ccccc4)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K23 mock treatment 0.433 -0.00809 -0.39 0.431 -0.00661 -0.4 -0.5544 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 K24 mock treatment 0.456 0.0149 0.71 0.451 0.0134 0.81 1.0724 0.998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L01 compound treatment 0.448 0.00691 0.33 0.456 0.0184 1.11 1.0156 0.8793 3121323 ChemDiv3_008691 FC(F)(F)c1ccccc1NC(=O)NCCN2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L02 compound treatment 0.456 0.0149 0.71 0.448 0.0104 0.63 0.9447 0.998 3029508 ChemDiv3_008692 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NCCn2ccc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L03 compound treatment 0.45 0.00891 0.42 0.445 0.00739 0.44 0.6147 0.9997 3121324 ChemDiv3_008693 Clc1ccc2nc(c(Nc3ccccc3)n2c1)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L04 compound treatment 0.446 0.00491 0.23 0.447 0.00939 0.57 0.565 0.9237 3121325 ChemDiv3_008694 CCCOc1ccc2oc(=O)c3N(CCCc3c2c1)C(=O)CN(C)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L05 compound treatment 0.497 0.0559 2.67 0.5 0.0624 3.76 4.5406 0.9859 3029509 ChemDiv3_008695 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc(Br)s3)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L06 compound treatment 0.453 0.0119 0.57 0.451 0.0134 0.81 0.9713 0.9853 3121326 ChemDiv3_008696 O=C(CS(=O)(=O)c1cccc2nsnc12)N3CC(=O)N(CCc4ccccc4)C(=O)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L07 compound treatment 0.45 0.00891 0.42 0.441 0.00339 0.2 0.4444 0.9436 3121327 ChemDiv3_008697 CCC(C)NC(=O)C1C(N(C)C(=O)c2ccccc12)c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L08 compound treatment 0.446 0.00491 0.23 0.447 0.00939 0.57 0.565 0.9237 3029510 ChemDiv3_008698 CCOc1cc2CCN3C(C(C(=O)NCCC(C)C)c4ccccc4C3=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L09 compound treatment 0.452 0.0109 0.52 0.456 0.0184 1.11 1.1504 0.9406 3121328 ChemDiv3_008699 Cc1c([nH]c2CCCC(=O)c12)C(=O)OC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L10 compound treatment 0.44 -0.00109 -0.05 0.445 0.00739 0.44 0.2776 0.62 3029511 ChemDiv3_008700 COc1ccc(N(C)C(=O)CCc2nc(no2)c3ccccc3F)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L11 compound treatment 0.447 0.00591 0.28 0.461 0.0234 1.41 1.1948 0.832 3121329 ChemDiv3_008701 CCc1ccc(cc1)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L12 compound treatment 0.445 0.00391 0.19 0.445 0.00739 0.44 0.4462 0.9253 3121330 ChemDiv3_008702 Cc1cc(NC(=O)CSc2nnc(o2)c3ccco3)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L13 compound treatment 0.449 0.00791 0.38 0.453 0.0154 0.93 0.9216 0.9214 3029512 ChemDiv3_008703 Clc1ccc(cc1)C2CC(=O)NC3=C2C(=O)CC(C3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L14 compound treatment 0.435 -0.00609 -0.29 0.45 0.0124 0.75 0.322 0.4023 3121331 ChemDiv3_008704 COCCN1C(C(C(=O)NCCN2CCOCC2)c3ccccc3C1=O)c4cn(C)c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L15 compound treatment 0.47 0.0289 1.38 0.475 0.0374 2.25 2.5661 0.9723 3121332 ChemDiv3_008705 CC1=C(C(CC(=O)N1)c2cccc(Cl)c2)C(=O)OC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L16 compound treatment 0.444 0.00291 0.14 0.452 0.0144 0.87 0.7105 0.8099 3029513 ChemDiv3_008706 CC1(CC2N(C(=O)c3ccccc3)C(=O)N1c4ccccc4)Oc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L17 compound treatment 0.468 0.0269 1.28 0.479 0.0414 2.49 2.669 0.9523 3121333 ChemDiv3_008707 Cc1ccc2cc(CCNC(=O)Cc3ccccc3)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L18 compound treatment 0.467 0.0259 1.23 0.458 0.0204 1.23 1.7412 1.0 1922455 ChemDiv3_008708 O/C(=C\C(=O)c1ccccc1)/C(=O)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L19 compound treatment 0.448 0.00691 0.33 0.442 0.00439 0.26 0.4196 0.994 3029514 ChemDiv3_008709 Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L20 compound treatment 0.513 0.0719 3.43 0.523 0.0854 5.14 6.0591 0.9806 3121334 ChemDiv3_008710 OC(=O)/C(=C/C(=O)c1ccc(F)cc1)/Nc2ccc3[nH]c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L21 compound treatment 0.449 0.00791 0.38 0.445 0.00739 0.44 0.581 0.9966 3121335 ChemDiv3_008711 CCC1CCCCN1C(=O)CSc2nc3CC(C)Sc3c(=O)n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L22 compound treatment 0.497 0.0559 2.67 0.489 0.0514 3.09 4.0723 0.9972 3029515 ChemDiv3_008712 O=C(CC1(CC2CC3CC(C2)C1)C3)Nc4ccc5[nH]c(=O)[nH]c5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L23 mock treatment 0.451 0.00991 0.47 0.45 0.0124 0.75 0.8613 0.9757 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 L24 mock treatment 0.446 0.00491 0.23 0.44 0.00239 0.14 0.267 0.9727 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M01 compound treatment 0.483 0.0419 2.0 0.485 0.0474 2.85 3.4301 0.9848 3121336 ChemDiv3_008713 Cc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M02 compound treatment 0.459 0.0179 0.85 0.46 0.0224 1.35 1.5567 0.9757 3121337 ChemDiv3_008714 O=C(NCc1ccccc1)C2CCN(CC2)S(=O)(=O)c3cccc4nonc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M03 compound treatment 0.453 0.0119 0.57 0.443 0.00539 0.32 0.6307 0.9648 3029516 ChemDiv3_008715 CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M04 compound treatment 0.475 0.0339 1.62 0.467 0.0294 1.77 2.394 0.999 3121338 ChemDiv3_008716 Cc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M05 compound treatment 0.443 0.00191 0.09 0.441 0.00339 0.2 0.2085 0.9337 3029517 ChemDiv3_008717 CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M06 compound treatment 0.466 0.0249 1.19 0.467 0.0294 1.77 2.0907 0.9812 3121339 ChemDiv3_008718 O=C(Cn1c(=O)n(Cc2ccc(cc2)C(=O)NC3CCCC3)c(=O)c4ccccc14)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M07 compound treatment 0.442 9.06E-4 0.04 0.432 -0.00561 -0.34 -0.2084 -0.6117 3029518 ChemDiv3_008719 Brc1ccc(cc1)c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M08 compound treatment 0.463 0.0219 1.04 0.448 0.0104 0.63 1.1806 0.9699 3121340 ChemDiv3_008720 Cc1ccccc1Cn2c(=O)n(CC3CCC(CC3)C(=O)NCc4ccccc4)c(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M09 compound treatment 0.443 0.00191 0.09 0.442 0.00439 0.26 0.251 0.8987 3029519 ChemDiv3_008721 Fc1ccc(/C=C/2\CS/C(=C\c3ccc(F)cc3)/C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M10 compound treatment 0.454 0.0129 0.62 0.459 0.0214 1.29 1.3456 0.9429 3121341 ChemDiv3_008722 CCC(C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c3cc(OC)c(OC)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M11 compound treatment 0.461 0.0199 0.95 0.455 0.0174 1.05 1.4112 0.9988 3029520 ChemDiv3_008723 Fc1cccc(/C=C/2\CS/C(=C\c3cccc(F)c3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M12 compound treatment 0.408 -0.0331 -1.58 0.405 -0.0326 -1.96 -2.504 -0.9941 3121342 ChemDiv3_008724 CC(C)(C)NS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M13 compound treatment 0.448 0.00691 0.33 0.454 0.0164 0.99 0.9305 0.8946 3029521 ChemDiv3_008725 CC(C)CC1(C)NC(=S)C(=N1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M14 compound treatment 0.515 0.0739 3.52 0.516 0.0784 4.72 5.8285 0.9896 3121343 ChemDiv3_008726 Cc1cccc(c1)n2ccnc2SCC(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M15 compound treatment 0.443 0.00191 0.09 0.438 3.87E-4 0.02 0.0807 0.8606 3121344 ChemDiv3_008727 CCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M16 compound treatment 0.489 0.0479 2.28 0.497 0.0594 3.58 4.1432 0.9765 3029522 ChemDiv3_008728 CC1CCN(CC1)S(=O)(=O)c2cn(CC(=O)N(C)Cc3ccccc3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M17 compound treatment 0.444 0.00291 0.14 0.449 0.0114 0.69 0.5828 0.8332 3121345 ChemDiv3_008729 Clc1ccc(NC(=O)C2(CC2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M18 compound treatment 0.446 0.00491 0.23 0.449 0.0114 0.69 0.6502 0.8975 3029523 ChemDiv3_008730 CCOc1ccc(NC(=O)NCCCN2CCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M19 compound treatment 0.447 0.00591 0.28 0.433 -0.00461 -0.28 0.0027 0.0068 3121346 ChemDiv3_008731 CCCN(CCC)C(=O)Cn1c(=O)n(c2ccc(Cl)cc2)c(=O)c3c4CCCc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M20 compound treatment 0.451 0.00991 0.47 0.438 3.87E-4 0.02 0.3504 0.7411 3029524 ChemDiv3_008732 Cc1c(CO)[nH]c2ccc(Cl)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M21 compound treatment 0.449 0.00791 0.38 0.454 0.0164 0.99 0.9642 0.9129 3121347 ChemDiv3_008733 COc1ccc(NC(=O)Cn2c(=O)n(c3ccccc3)c(=O)c4c5CCCCc5sc24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M22 compound treatment 0.436 -0.00509 -0.24 0.434 -0.00361 -0.22 -0.3255 -0.9985 3029525 ChemDiv3_008734 Cc1ccc(NC(=S)NCCCN2CCN(CC2)c3cc(Cl)ccc3C)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M23 mock treatment 0.436 -0.00509 -0.24 0.431 -0.00661 -0.4 -0.4532 -0.9719 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 M24 mock treatment 0.449 0.00791 0.38 0.443 0.00539 0.32 0.4959 0.9972 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N01 compound treatment 0.452 0.0109 0.52 0.456 0.0184 1.11 1.1504 0.9406 3121520 ChemDiv3_008735 CCc1nnc(NC(=O)Nc2ccccc2C(F)(F)F)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N02 compound treatment 0.451 0.00991 0.47 0.469 0.0314 1.89 1.6702 0.8574 3121521 ChemDiv3_008736 Cc1cc2ccccc2n1CCNC(=O)Cc3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N03 compound treatment 0.472 0.0309 1.47 0.467 0.0294 1.77 2.2929 0.9959 3029526 ChemDiv3_008737 Cc1ccc(Nc2c(nc3ccccn23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N04 compound treatment 0.446 0.00491 0.23 0.435 -0.00261 -0.16 0.0541 0.1921 3121522 ChemDiv3_008738 CCCOc1ccc2oc(=O)c3N(CCCc3c2c1)C(=O)CN4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N05 compound treatment 0.438 -0.00309 -0.15 0.454 0.0164 0.99 0.5934 0.5948 3029527 ChemDiv3_008739 COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N06 compound treatment 0.514 0.0729 3.48 0.51 0.0724 4.36 5.5394 0.9937 3121523 ChemDiv3_008740 CCOC(=O)C1C(CC(=CC1=O)c2ccc(F)cc2)c3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N07 compound treatment 0.451 0.00991 0.47 0.436 -0.00161 -0.1 0.2652 0.5502 3121524 ChemDiv3_008741 CN1C(C(C(=O)NCc2ccc(F)cc2)c3ccccc3C1=O)c4c[nH]c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N08 compound treatment 0.442 9.06E-4 0.04 0.45 0.0124 0.75 0.5579 0.7468 3029528 ChemDiv3_008742 CCCCN(C)C(=O)Cc1c([nH]c2ccc(Cl)cc12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N09 compound treatment 0.436 -0.00509 -0.24 0.443 0.00539 0.32 0.0577 0.1423 3029529 ChemDiv3_008743 CCCOC(=O)c1[nH]c2CCCC(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N10 compound treatment 0.434 -0.00709 -0.34 0.433 -0.00461 -0.28 -0.4355 -0.9952 3121525 ChemDiv3_008744 CCN(C(=O)CCc1nc(no1)c2ccccc2F)c3cc(Cl)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N11 compound treatment 0.442 9.06E-4 0.04 0.435 -0.00261 -0.16 -0.0807 -0.4946 3121526 ChemDiv3_008745 Cc1c([nH]c2CC(CC(=O)c12)c3ccc(Cl)cc3)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N12 compound treatment 0.441 -9.38E-5 0.0 0.442 0.00439 0.26 0.1836 0.695 1375150 ChemDiv3_008746 COc1cc(cc(OC)c1OC)c2nnc(SCC(=O)N3CCCCC3C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N13 compound treatment 0.444 0.00291 0.14 0.452 0.0144 0.87 0.7105 0.8099 3121527 ChemDiv3_008747 Fc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=O)CC3c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N14 compound treatment 0.44 -0.00109 -0.05 0.44 0.00239 0.14 0.0648 0.4236 3029530 ChemDiv3_008748 CC1CCCN(C1)C(c2ccc(F)cc2)c3c(O)[nH]c(=O)[nH]c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N15 compound treatment 0.445 0.00391 0.19 0.451 0.0134 0.81 0.7016 0.8481 3121528 ChemDiv3_008749 CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)C)cc3)/C(=N)N12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N16 compound treatment 0.441 -9.38E-5 0.0 0.444 0.00639 0.38 0.2688 0.6988 3121529 ChemDiv3_008750 Brc1cc2CCN(C(=O)C3CC3)c2c(c1)S(=O)(=O)CCC(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N17 compound treatment 0.451 0.00991 0.47 0.443 0.00539 0.32 0.5633 0.9832 3029531 ChemDiv3_008751 CCCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N18 compound treatment 0.457 0.0159 0.76 0.473 0.0354 2.13 2.0428 0.9033 3029574 ChemDiv3_008752 Cc1ccc(cc1C)C(=O)/C=C/2\Nc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N19 compound treatment 0.441 -9.38E-5 0.0 0.439 0.00139 0.08 0.0559 0.6683 3029575 ChemDiv3_008753 Cc1ccc2cc(CCNC(=O)C3(CC4CC5CC(C4)C3)C5)c(=O)[nH]c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N20 compound treatment 0.437 -0.00409 -0.2 0.444 0.00639 0.38 0.1339 0.3106 3029576 ChemDiv3_008754 Cc1c[n+]([O-])n(n1)c2ccc(cc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N21 compound treatment 0.444 0.00291 0.14 0.444 0.00639 0.38 0.3699 0.9049 3029577 ChemDiv3_008755 CCOC(=O)N1CCN(CC1)C(=O)CSc2nc3CC(C)Sc3c(=O)n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N22 compound treatment 0.513 0.0719 3.43 0.517 0.0794 4.78 5.8037 0.9867 3029578 ChemDiv3_008756 Clc1ccc(cc1)c2cc3Nc4ccccc4Nc3nn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N23 mock treatment 0.439 -0.00209 -0.1 0.436 -0.00161 -0.1 -0.1392 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 N24 mock treatment 0.444 0.00291 0.14 0.439 0.00139 0.08 0.157 0.9706 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O01 compound treatment 0.443 0.00191 0.09 0.438 3.87E-4 0.02 0.0807 0.8606 3029579 ChemDiv3_008757 CC(C)CN(CC(C)C)C(=O)c1cc2c(=O)n3ccccc3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O02 compound treatment 0.482 0.0409 1.95 0.47 0.0324 1.95 2.7577 1.0 3121530 ChemDiv3_008758 O=C(NC1CCCCC1)C2CCCN(C2)S(=O)(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O03 compound treatment 0.444 0.00291 0.14 0.437 -6.13E-4 -0.04 0.0719 0.5013 3029580 ChemDiv3_008759 Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)NC4CCSC4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O04 compound treatment 0.463 0.0219 1.04 0.452 0.0144 0.87 1.3509 0.9957 3121531 ChemDiv3_008760 COc1ccccc1CNC(=O)CCn2c(=O)n(Cc3ccc(F)cc3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O05 compound treatment 0.446 0.00491 0.23 0.441 0.00339 0.2 0.3096 0.9977 3029581 ChemDiv3_008761 CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O06 compound treatment 0.452 0.0109 0.52 0.455 0.0174 1.05 1.1079 0.9478 3121532 ChemDiv3_008762 CN(C1CCCCC1)C(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O07 compound treatment 0.441 -9.38E-5 0.0 0.455 0.0174 1.05 0.7371 0.7041 3121533 ChemDiv3_008763 Brc1ccc(cc1)c2nnc3sc(CNCc4ccc5OCOc5c4)cn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O08 compound treatment 0.49 0.0489 2.33 0.48 0.0424 2.55 3.4531 0.999 3029582 ChemDiv3_008764 Cc1ccccc1Cn2c(=O)n(CCC(=O)NCCc3ccccc3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O09 compound treatment 0.518 0.0769 3.67 0.525 0.0874 5.26 6.3128 0.9844 3121534 ChemDiv3_008765 Cc1cccc(/C=C/2\CS/C(=C\c3cccc(C)c3)/C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O10 compound treatment 0.441 -9.38E-5 0.0 0.443 0.00539 0.32 0.2262 0.6973 3121535 ChemDiv3_008766 COc1cc2n(CC(=O)N3CC(C)CC(C)C3)c(=O)n(Cc4ccccc4Cl)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O11 compound treatment 0.439 -0.00209 -0.1 0.439 0.00139 0.08 -0.0115 -0.0885 3029583 ChemDiv3_008767 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(F)cc3)/N=C2SC(CC)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O12 compound treatment 0.411 -0.0301 -1.43 0.402 -0.0356 -2.14 -2.5306 -0.9809 3121536 ChemDiv3_008768 Clc1ccccc1CNS(=O)(=O)c2ccc3[nH]c(nc3c2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O13 compound treatment 0.436 -0.00509 -0.24 0.45 0.0124 0.75 0.3557 0.4535 3029584 ChemDiv3_008769 O=C(CSC1=NC2(CCCC2)N=C1c3ccccc3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O14 compound treatment 0.444 0.00291 0.14 0.447 0.00939 0.57 0.4976 0.8551 3121537 ChemDiv3_008770 Cc1cccc(c1)n2ccnc2SCC(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O15 compound treatment 0.45 0.00891 0.42 0.448 0.0104 0.63 0.7424 0.9822 3029585 ChemDiv3_008771 Fc1ccccc1CSC2=NN3CCCC(=O)N=C3S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O16 compound treatment 0.447 0.00591 0.28 0.456 0.0184 1.11 0.9819 0.8596 3121538 ChemDiv3_008772 CCOc1ccccc1NC(=O)Cn2cc(c3ccccc3c2=O)S(=O)(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O17 compound treatment 0.448 0.00691 0.33 0.445 0.00739 0.44 0.5473 0.989 3121539 ChemDiv3_008773 Clc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O18 compound treatment 0.447 0.00591 0.28 0.443 0.00539 0.32 0.4284 0.9975 3029586 ChemDiv3_008774 CCc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O19 compound treatment 0.433 -0.00809 -0.39 0.434 -0.00361 -0.22 -0.4266 -0.9632 3121540 ChemDiv3_008775 CC1CC(C)CN(C1)C(=O)Cn2c(=O)n(c3ccc(Cl)cc3)c(=O)c4c5CCCc5sc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O20 compound treatment 0.437 -0.00409 -0.2 0.44 0.00239 0.14 -0.0364 -0.15 3029587 ChemDiv3_008776 Nc1cc(c2ccccc2)n(n1)C(=O)Nc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O21 compound treatment 0.444 0.00291 0.14 0.437 -6.13E-4 -0.04 0.0719 0.5013 3121541 ChemDiv3_008777 CCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c4c5CCCCc5sc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O22 compound treatment 0.444 0.00291 0.14 0.44 0.00239 0.14 0.1996 0.9998 3029588 ChemDiv3_008778 CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O23 mock treatment 0.44 -0.00109 -0.05 0.435 -0.00261 -0.16 -0.1481 -0.8937 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 O24 mock treatment 0.451 0.00991 0.47 0.446 0.00839 0.5 0.691 0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P01 compound treatment 0.445 0.00391 0.19 0.443 0.00539 0.32 0.361 0.9653 3121542 ChemDiv3_008779 CN1C(C(C(=O)NCc2ccco2)c3ccccc3C1=O)c4cn(C)c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P02 compound treatment 0.437 -0.00409 -0.2 0.446 0.00839 0.5 0.2191 0.4047 3121543 ChemDiv3_008780 Cc1cc2ccccc2n1CCNC(=O)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P03 compound treatment 0.441 -9.38E-5 0.0 0.447 0.00939 0.57 0.3965 0.7015 3029589 ChemDiv3_008781 C1Oc2ccc(Nc3c(nc4ccccn34)c5ccccc5)cc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P04 compound treatment 0.636 0.195 9.29 0.639 0.201 12.13 15.1438 0.9914 3121544 ChemDiv3_008782 OC(=O)c1ccccc1N/C=C/2\C(=O)Nc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P05 compound treatment 0.457 0.0159 0.76 0.448 0.0104 0.63 0.9784 0.9954 3029590 ChemDiv3_008783 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N2CCCC(C2)C(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P06 compound treatment 0.476 0.0349 1.66 0.472 0.0344 2.07 2.6406 0.9941 3121545 ChemDiv3_008784 CCOC(=O)C1C(CC(=CC1=O)c2cccs2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P07 compound treatment 0.399 -0.0421 -2.01 0.398 -0.0396 -2.39 -3.1054 -0.9963 3121546 ChemDiv3_008785 Cc1ccc(cc1C)N2COc3cc4OCOc4cc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P08 compound treatment 0.446 0.00491 0.23 0.45 0.0124 0.75 0.6928 0.8863 3029591 ChemDiv3_008786 OC(=O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P09 compound treatment 0.512 0.0709 3.38 0.512 0.0744 4.48 5.5571 0.9904 3121723 ChemDiv3_008787 CCCc1c([nH]c2CC(CC(=O)c12)c3ccccc3)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P10 compound treatment 0.437 -0.00409 -0.2 0.436 -0.00161 -0.1 -0.2067 -0.9481 3121724 ChemDiv3_008788 CC1CCCCN1C(=O)CSc2nnc(o2)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P11 compound treatment 0.468 0.0269 1.28 0.47 0.0324 1.95 2.2858 0.9793 3029592 ChemDiv3_008789 CCOC(=O)c1[nH]c2CC(CC(=O)c2c1c3ccccc3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P12 compound treatment 0.432 -0.00909 -0.43 0.441 0.00339 0.2 -0.1623 -0.3388 1558672 ChemDiv3_008790 O=C(CSc1nnc(Cc2ccccc2)o1)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P13 compound treatment 0.443 0.00191 0.09 0.443 0.00539 0.32 0.2936 0.8716 3121725 ChemDiv3_008791 COC(=O)C1C(C)CC2=C(C(CC(=O)N2)c3cccc(OC)c3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P14 compound treatment 0.491 0.0499 2.38 0.482 0.0444 2.67 3.572 0.9983 3029593 ChemDiv3_008792 Cc1ccc(cc1)C(N2CCCCC2)c3c(O)[nH]c(=S)[nH]c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P15 compound treatment 0.589 0.148 7.05 0.577 0.139 8.39 10.9199 0.9962 3121726 ChemDiv3_008793 COc1cc(/C=C\2/C(=N)N3C(=NSC3=NC2=O)SC(C)C)ccc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P16 compound treatment 0.441 -9.38E-5 0.0 0.446 0.00839 0.5 0.3539 0.7008 3029594 ChemDiv3_008794 CC1CCCN(C1)C(=O)CCS(=O)(=O)c2cc(Br)cc3CCN(C(=O)C4CC4)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P17 compound treatment 0.455 0.0139 0.66 0.45 0.0124 0.75 0.9961 0.9983 3121727 ChemDiv3_008795 Cc1ccc2cc(CCNC(=O)c3ccc(Cl)cc3Cl)c(=O)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P18 compound treatment 0.442 9.06E-4 0.04 0.454 0.0164 0.99 0.7282 0.7374 3121728 ChemDiv3_008796 COc1ccccc1C(=O)/C=C(\O)/C(=O)Nc2sc3CCCc3c2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P19 compound treatment 0.451 0.00991 0.47 0.446 0.00839 0.5 0.691 0.9994 3029595 ChemDiv3_008797 Cc1ccc(cc1)S(=O)(=O)NCCc2cc3ccc(C)cc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P20 compound treatment 0.444 0.00291 0.14 0.44 0.00239 0.14 0.1996 0.9998 1082215 ChemDiv3_008798 O=C(c1nc2ccccc2[nH]1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P21 compound treatment 0.459 0.0179 0.85 0.458 0.0204 1.23 1.4716 0.9842 3121729 ChemDiv3_008799 CC1Cc2nc(SCC(=O)NCc3ccco3)n(Cc4ccccc4)c(=O)c2S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P22 compound treatment 0.59 0.149 7.1 0.593 0.155 9.36 11.6348 0.9907 3029596 ChemDiv3_008800 CCN1CCN(CCCNC(=O)c2ccc3N/C(=C\C(=O)c4ccc(OC)cc4)/C(=O)Nc3c2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P23 mock treatment 0.448 0.00691 0.33 0.446 0.00839 0.5 0.5899 0.9785 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2025 P24 mock treatment 0.46 0.0189 0.9 0.436 -0.00161 -0.1 0.5686 0.6273 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A01 compound treatment 0.51 0.0749 3.57 0.511 0.0716 4.31 5.5733 0.9956 3121730 ChemDiv3_008801 COc1cccc(c1)C(=O)/C=C/2\Nc3ccc(cc3NC2=O)C(=O)Nc4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A02 compound treatment 0.43 -0.00512 -0.24 0.456 0.0166 1.0 0.5351 0.5193 3029597 ChemDiv3_008802 C1CCC(CC1)Sc2nc3ccccc3n4cnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A03 compound treatment 0.431 -0.00412 -0.2 0.442 0.00262 0.16 -0.0273 -0.1082 3121731 ChemDiv3_008803 Cc1cc(C)n(CCC(=O)Nc2ccc(C)cc2C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A04 compound treatment 0.438 0.00288 0.14 0.441 0.00162 0.1 0.1661 0.9864 3121732 ChemDiv3_008804 Cc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n5cnnc35)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A05 compound treatment 0.479 0.0439 2.09 0.473 0.0336 2.02 2.9105 0.9999 3029598 ChemDiv3_008805 Cc1cc(C)n(n1)c2nc3ccccc3nc2NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A06 compound treatment 0.427 -0.00812 -0.39 0.43 -0.00938 -0.56 -0.673 -0.9831 3121733 ChemDiv3_008806 CCOC(=O)N1CCC(CC1)NS(=O)(=O)c2ccc3oc(=O)c4ncn(CC)c4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A07 compound treatment 0.444 0.00888 0.42 0.461 0.0216 1.3 1.2198 0.891 3029599 ChemDiv3_008807 CCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A08 compound treatment 0.428 -0.00712 -0.34 0.426 -0.0134 -0.81 -0.8096 -0.9263 3121734 ChemDiv3_008808 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A09 compound treatment 0.44 0.00488 0.23 0.437 -0.00238 -0.14 0.0632 0.2317 1119277 ChemDiv3_008809 Clc1cnn(c(=O)c1Cl)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A10 compound treatment 0.428 -0.00712 -0.34 0.425 -0.0144 -0.87 -0.8522 -0.9165 3121735 ChemDiv3_008810 CCCCN(CC)C(=O)c1cc2cc3cc(OC)ccc3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A11 compound treatment 0.434 -0.00112 -0.05 0.432 -0.00738 -0.44 -0.3519 -0.7868 3121736 ChemDiv3_008811 OC(=O)C1(CC2CC3C1)CC(C2)(C3)n4ncc(NCCc5ccccc5)c(Cl)c4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A12 compound treatment 0.449 0.0139 0.66 0.453 0.0136 0.82 1.0478 0.9943 3029600 ChemDiv3_008812 CC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A13 compound treatment 0.49 0.0549 2.62 0.496 0.0566 3.41 4.2605 0.9914 3121737 ChemDiv3_008813 Cc1cc(Nc2cnn(c3nc4ccccc4o3)c(=O)c2Cl)ccc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A14 compound treatment 0.429 -0.00612 -0.29 0.423 -0.0164 -0.99 -0.9036 -0.8788 3029601 ChemDiv3_008814 CCCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A15 compound treatment 0.479 0.0439 2.09 0.482 0.0426 2.57 3.2937 0.9948 3121738 ChemDiv3_008815 O=C(NCCc1ccccc1)c2nnc(o2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A16 compound treatment 0.43 -0.00512 -0.24 0.433 -0.00638 -0.38 -0.4442 -0.9762 3029602 ChemDiv3_008816 Fc1ccc(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)C2=O)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A17 compound treatment 0.426 -0.00912 -0.43 0.427 -0.0124 -0.75 -0.8344 -0.9672 3121739 ChemDiv3_008817 CC(C)NC(=O)c1nnc(Cc2cccc(Cl)c2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A18 compound treatment 0.451 0.0159 0.76 0.448 0.00862 0.52 0.9023 0.9831 3121740 ChemDiv3_008818 CC(NC(=O)/C=C/1\Sc2ccccc2NC1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A19 compound treatment 0.432 -0.00312 -0.15 0.431 -0.00838 -0.5 -0.4619 -0.8785 3029603 ChemDiv3_008819 COc1ccccc1N2CCN(CCCNC(=O)c3nnc(Cc4ccccc4Cl)o3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A20 compound treatment 0.43 -0.00512 -0.24 0.441 0.00162 0.1 -0.1036 -0.3935 3121741 ChemDiv3_008820 CN1C(=O)/C(=C/c2ccc(cc2)C(=O)NC3CCCC3)/Oc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A21 compound treatment 0.45 0.0149 0.71 0.452 0.0126 0.76 1.0389 0.9994 1139900 ChemDiv3_008821 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A22 compound treatment 0.453 0.0179 0.85 0.452 0.0126 0.76 1.14 0.9984 3029604 ChemDiv3_008822 CN1C(=O)/C(=C\c2ccccc2)/Sc3ccc(cc13)C(=O)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A23 mock treatment 0.429 -0.00612 -0.29 0.427 -0.0124 -0.75 -0.7333 -0.9164 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 A24 mock treatment 0.431 -0.00412 -0.2 0.432 -0.00738 -0.44 -0.453 -0.9329 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B01 compound treatment 0.502 0.0669 3.19 0.49 0.0506 3.05 4.4095 0.9997 3121742 ChemDiv3_008823 COc1ccc(/C=C/2\Oc3ccccc3N(CC(=O)NC(C)c4ccccc4)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B02 compound treatment 0.458 0.0229 1.09 0.454 0.0146 0.88 1.3937 0.9944 3029605 ChemDiv3_008824 O=C1C(N=C2N1C(=S)Nc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B03 compound treatment 0.477 0.0419 2.0 0.483 0.0436 2.63 3.2688 0.9908 3121743 ChemDiv3_008825 Clc1ccc(/C=C\2/Sc3ccccc3N(CC(=O)NCC4CCCO4)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B04 compound treatment 0.446 0.0109 0.52 0.451 0.0116 0.7 0.8615 0.9891 3121744 ChemDiv3_008826 COc1cccc(c1)N2C(=S)NC3C(C)C2(C)Oc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B05 compound treatment 0.459 0.0239 1.14 0.467 0.0276 1.66 1.9809 0.9829 3029651 ChemDiv3_008827 Cc1cc(NC(=O)/C=C\c2ccccc2)nc3c4ccccc4oc(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B06 compound treatment 0.449 0.0139 0.66 0.45 0.0106 0.64 0.9201 0.9999 3121745 ChemDiv3_008828 Cc1ccccc1NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B07 compound treatment 0.503 0.0679 3.24 0.5 0.0606 3.65 4.869 0.9982 3029652 ChemDiv3_008829 Cn1cc(CC(=O)N2CCN(CC2)c3ccc(Cl)cc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B08 compound treatment 0.445 0.00988 0.47 0.45 0.0106 0.64 0.7852 0.9886 1700577 ChemDiv3_008830 CC(Oc1ccccc1)C(=O)OCn2nnc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B09 compound treatment 0.534 0.0989 4.71 0.557 0.118 7.08 8.3407 0.9804 3121746 ChemDiv3_008831 COc1ccc2n(C)/c(=N/C(=O)CSCC(=O)Nc3nc(cs3)c4ccccc4)/sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B10 compound treatment 0.417 -0.0181 -0.86 0.416 -0.0234 -1.41 -1.6061 -0.9726 3029654 ChemDiv3_008832 CCOC(=O)Cn1nc(c2ccccc2)c3cnc4ccc(CC)cc4c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B11 compound treatment 0.451 0.0159 0.76 0.452 0.0126 0.76 1.0726 1.0 3121929 ChemDiv3_008833 Cc1n[nH]c(C)c1S(=O)(=O)Nc2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B12 compound treatment 0.515 0.0799 3.81 0.533 0.0936 5.64 6.6785 0.9818 3029655 ChemDiv3_008834 CSc1ccc(Cn2cccc2C3=NC(CO3)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B13 compound treatment 0.444 0.00888 0.42 0.451 0.0116 0.7 0.7941 0.9709 3121930 ChemDiv3_008835 Cc1noc(C)c1S(=O)(=O)NCCN2CCN(CC2)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B14 compound treatment 0.487 0.0519 2.47 0.485 0.0456 2.75 3.6911 0.9986 3121931 ChemDiv3_008836 CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)/C(=N)N12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B15 compound treatment 0.465 0.0299 1.42 0.46 0.0206 1.24 1.8851 0.9977 3029658 ChemDiv3_008837 Cc1cc(C)n2c(Nc3c(C)cccc3C)c(nc2n1)c4ccc(Cl)s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B16 compound treatment 0.446 0.0109 0.52 0.452 0.0126 0.76 0.9041 0.9826 3121932 ChemDiv3_008838 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B17 compound treatment 0.449 0.0139 0.66 0.461 0.0216 1.3 1.3884 0.9507 3029659 ChemDiv3_008839 COCC(=O)N1N=C(CC1c2ccccc2C)c3cccc(NS(=O)(=O)C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B18 compound treatment 0.448 0.0129 0.61 0.457 0.0176 1.06 1.1844 0.9661 3121933 ChemDiv3_008840 O=C(C1CCC1)N2CCc3cc(ccc23)S(=O)(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B19 compound treatment 0.446 0.0109 0.52 0.451 0.0116 0.7 0.8615 0.9891 3029660 ChemDiv3_008841 O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B20 compound treatment 0.442 0.00688 0.33 0.444 0.00462 0.28 0.4286 0.9967 3121934 ChemDiv3_008842 COC(CNC(=O)C1CCN(CC1)S(=O)(=O)c2cccc3nsnc23)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B21 compound treatment 0.45 0.0149 0.71 0.449 0.00962 0.58 0.9112 0.995 3121935 ChemDiv3_008843 CN(C(=O)c1cn(C2CCCC2)c(=O)c3n(C)c4ccccc4c13)c5cccc(c5)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B22 compound treatment 0.455 0.0199 0.95 0.467 0.0276 1.66 1.8461 0.9644 3029662 ChemDiv3_008844 CCCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B23 mock treatment 0.445 0.00988 0.47 0.453 0.0136 0.82 0.9129 0.9652 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 B24 mock treatment 0.429 -0.00612 -0.29 0.442 0.00262 0.16 -0.0947 -0.2852 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C01 compound treatment 0.843 0.408 19.44 0.824 0.385 23.16 30.1238 0.9962 3121936 ChemDiv3_008845 COc1ccc(cc1OC)C(=O)/C=C/2\Nc3ccc(cc3NC2=O)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C02 compound treatment 0.421 -0.0141 -0.67 0.427 -0.0124 -0.75 -1.003 -0.9987 3029663 ChemDiv3_008846 Cc1nnn(n1)C2(CC3CC4CC(C3)(C2)C(=O)NC5CCCCCC5)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C03 compound treatment 0.416 -0.0191 -0.91 0.419 -0.0204 -1.23 -1.5121 -0.9893 3121937 ChemDiv3_008847 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)CN3CC(CC3=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C04 compound treatment 0.421 -0.0141 -0.67 0.433 -0.00638 -0.38 -0.7475 -0.9645 3029664 ChemDiv3_008848 O=c1oc2ccccc2c(N3CCN(CC3)c4ccccc4)c1CN5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C05 compound treatment 0.418 -0.0171 -0.82 0.426 -0.0134 -0.81 -1.1467 -1.0 3121938 ChemDiv3_008849 Cc1nccn1CCC(=O)Nc2ccc(C)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C06 compound treatment 0.412 -0.0231 -1.1 0.412 -0.0274 -1.65 -1.945 -0.9809 3121939 ChemDiv3_008850 Cc1ccc2cc3cc(sc3nc2c1)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C07 compound treatment 0.421 -0.0141 -0.67 0.423 -0.0164 -0.99 -1.1733 -0.9827 3028694 ChemDiv3_008851 CC(=O)OC1C(N(N=C1c2ccccc2)C(=O)C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C08 compound treatment 0.499 0.0639 3.04 0.519 0.0796 4.79 5.5431 0.976 3028696 ChemDiv3_008852 CCOc1ccccc1N(C)C(=O)c2cc3cc4ccc(OC)cc4nc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C09 compound treatment 0.42 -0.0151 -0.72 0.426 -0.0134 -0.81 -1.0793 -0.9985 3028697 ChemDiv3_008853 CCc1ccc(NC(=O)C2NC(=O)CC2c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C10 compound treatment 0.424 -0.0111 -0.53 0.421 -0.0184 -1.11 -1.1573 -0.9433 3028699 ChemDiv3_008854 COc1ccc2nc3sc(cc3cc2c1)C(=O)N(C)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C11 compound treatment 0.412 -0.0231 -1.1 0.416 -0.0234 -1.41 -1.7747 -0.9927 3028700 ChemDiv3_008855 Cc1nnn(n1)C2(CC3CC4CC(CC(=O)Nc5ccc(Cl)cc5)(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C12 compound treatment 0.432 -0.00312 -0.15 0.435 -0.00438 -0.26 -0.2916 -0.9636 3028703 ChemDiv3_008856 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C13 compound treatment 0.431 -0.00412 -0.2 0.43 -0.00938 -0.56 -0.5382 -0.9004 3028704 ChemDiv3_008857 Cc1ccc(c(C)c1)S(=O)(=O)Nc2ccc3C(=O)OCc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C14 compound treatment 0.434 -0.00112 -0.05 0.434 -0.00538 -0.32 -0.2668 -0.8132 3121940 ChemDiv3_008858 CCC(C)NC(=O)c1ccc2Sc3ccc(Cl)cc3C(=Nc2c1)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C15 compound treatment 0.419 -0.0161 -0.77 0.415 -0.0244 -1.47 -1.5813 -0.9545 3028705 ChemDiv3_008859 COc1cc(Cc2nnc(o2)C(=O)NC(C)C)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C16 compound treatment 0.427 -0.00812 -0.39 0.427 -0.0124 -0.75 -0.8007 -0.9535 3121941 ChemDiv3_008860 O=C(CN1CCN(Cc2ccccc2)C1=O)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C17 compound treatment 0.453 0.0179 0.85 0.453 0.0136 0.82 1.1826 0.9998 3028708 ChemDiv3_008861 O=C1OCc2cc(NS(=O)(=O)c3ccc(cc3)C4CCCCC4)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C18 compound treatment 0.466 0.0309 1.47 0.464 0.0246 1.48 2.0891 1.0 3121942 ChemDiv3_008862 COC(CNC(=O)/C=C/1\Sc2ccccc2NC1=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C19 compound treatment 0.412 -0.0231 -1.1 0.418 -0.0214 -1.29 -1.6895 -0.997 3121943 ChemDiv3_008863 Clc1cccc(c1)c2nnc(o2)C(=O)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C20 compound treatment 0.518 0.0829 3.95 0.516 0.0766 4.61 6.0558 0.997 3028711 ChemDiv3_008864 CN1C(=O)/C(=C/c2ccc(cc2)C(=O)NCc3ccccc3)/Oc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C21 compound treatment 0.424 -0.0111 -0.53 0.419 -0.0204 -1.23 -1.2425 -0.9296 3121944 ChemDiv3_008865 CCOC(=O)c1nnc(Cc2ccc(C)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C22 compound treatment 0.486 0.0509 2.43 0.495 0.0556 3.35 4.0831 0.9874 3121945 ChemDiv3_008866 CC1CC(C)CN(C1)C(=O)c2ccc3S/C(=C\c4cccc(Cl)c4)/C(=O)N(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C23 mock treatment 0.422 -0.0131 -0.63 0.421 -0.0184 -1.11 -1.2247 -0.9636 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 C24 mock treatment 0.421 -0.0141 -0.67 0.425 -0.0144 -0.87 -1.0881 -0.9923 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D01 compound treatment 0.447 0.0119 0.57 0.457 0.0176 1.06 1.1507 0.9567 3028714 ChemDiv3_008867 COc1ccc(/C=C/2\Oc3ccccc3N(CC(=O)N4CCOCC4)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D02 compound treatment 0.439 0.00388 0.18 0.435 -0.00438 -0.26 -0.0556 -0.173 3121946 ChemDiv3_008868 NC(=O)CSC1=Nc2ccccc2C3=NC(C(=O)N31)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D03 compound treatment 0.547 0.112 5.33 0.538 0.0986 5.94 7.97 0.9986 3121947 ChemDiv3_008869 CC(NC(=O)CN1C(=O)/C(=C/c2ccccc2C)/Sc3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D04 compound treatment 0.442 0.00688 0.33 0.435 -0.00438 -0.26 0.0455 0.1082 3028717 ChemDiv3_008870 CC(C)NC(=S)Nc1ccc2nc(cc(C)c2c1)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D05 compound treatment 0.464 0.0289 1.38 0.46 0.0206 1.24 1.8514 0.9987 3121948 ChemDiv3_008871 Cc1cc(NC(=O)CC2CCCCC2)nc3c4ccccc4oc(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D06 compound treatment 0.47 0.0349 1.66 0.461 0.0216 1.3 2.0962 0.9927 3028719 ChemDiv3_008872 Cc1ccc(cc1)N2C(=O)C3C4OC(CNC(=S)Nc5ccc(Br)cc5)(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D07 compound treatment 0.438 0.00288 0.14 0.442 0.00262 0.16 0.2087 0.9975 3028774 ChemDiv3_008873 Cn1cc(CC(=O)NCCN2CCN(CC2)c3cccc(Cl)c3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D08 compound treatment 0.436 8.75E-4 0.04 0.439 -3.75E-4 -0.02 0.0135 0.2852 1464635 ChemDiv3_008874 O=C(OCn1nnc2ccccc2c1=O)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D09 compound treatment 0.44 0.00488 0.23 0.446 0.00662 0.4 0.4464 0.9669 3028776 ChemDiv3_008875 COCCn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc23)/sc4cc(OC)ccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D10 compound treatment 0.433 -0.00212 -0.1 0.443 0.00362 0.22 0.0827 0.3437 3028777 ChemDiv3_008876 Cc1ccc(cc1)c2nn(c3cccc(F)c3)c4c2cnc5cc(F)c(F)cc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D11 compound treatment 0.437 0.00188 0.09 0.439 -3.75E-4 -0.02 0.0472 0.5124 3028778 ChemDiv3_008877 CSc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c3c(C)n[nH]c3C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D12 compound treatment 0.441 0.00588 0.28 0.44 6.25E-4 0.04 0.2246 0.795 3028780 ChemDiv3_008878 CC1COC(=N1)c2cccn2Cc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D13 compound treatment 0.434 -0.00112 -0.05 0.447 0.00762 0.46 0.2867 0.6203 3121949 ChemDiv3_008879 CC1CCCCN1S(=O)(=O)c2ccc3N(CCc3c2)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D14 compound treatment 0.547 0.112 5.33 0.534 0.0946 5.7 7.7997 0.9995 3028783 ChemDiv3_008880 CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccco3)/C2=N)S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D15 compound treatment 0.438 0.00288 0.14 0.439 -3.75E-4 -0.02 0.0809 0.5828 3121950 ChemDiv3_008881 CC(C)Nc1c(nc2nc(C)cc(C)n12)c3ccc(C)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D16 compound treatment 0.453 0.0179 0.85 0.447 0.00762 0.46 0.9272 0.9579 3028785 ChemDiv3_008882 CN(Cc1ccccc1)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D17 compound treatment 0.449 0.0139 0.66 0.453 0.0136 0.82 1.0478 0.9943 3121951 ChemDiv3_008883 CS(=O)(=O)Nc1cccc(c1)C2=NN(C(C2)c3cccs3)C(=O)CCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D18 compound treatment 0.478 0.0429 2.04 0.48 0.0406 2.45 3.1748 0.996 3121952 ChemDiv3_008884 Cc1ccccc1NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D19 compound treatment 0.433 -0.00212 -0.1 0.441 0.00162 0.1 -0.0024 -0.0174 3028790 ChemDiv3_008885 O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D20 compound treatment 0.431 -0.00412 -0.2 0.438 -0.00138 -0.08 -0.1976 -0.9261 3121953 ChemDiv3_008886 COc1ccc(cc1)N(C)C(=O)C2CCN(CC2)S(=O)(=O)c3cccc4nsnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D21 compound treatment 0.441 0.00588 0.28 0.441 0.00162 0.1 0.2672 0.9008 3028792 ChemDiv3_008887 CC(C)NC(=O)c1cn(C2CCCCC2)c(=O)c3n(C)c4ccccc4c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D22 compound treatment 0.433 -0.00212 -0.1 0.435 -0.00438 -0.26 -0.2579 -0.9138 3121954 ChemDiv3_008888 Cc1ccc2cc3cc(oc3nc2c1)C(=O)N4CCN(CC4)c5cc(Cl)ccc5C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D23 mock treatment 0.437 0.00188 0.09 0.435 -0.00438 -0.26 -0.1231 -0.4424 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 D24 mock treatment 0.436 8.75E-4 0.04 0.436 -0.00338 -0.2 -0.1142 -0.5505 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E01 compound treatment 0.505 0.0699 3.33 0.513 0.0736 4.43 5.4899 0.9901 3121955 ChemDiv3_008889 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E02 compound treatment 0.444 0.00888 0.42 0.451 0.0116 0.7 0.7941 0.9709 3028849 ChemDiv3_008890 CC(C)Sc1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E03 compound treatment 0.539 0.104 4.95 0.544 0.105 6.3 7.9558 0.9929 3028852 ChemDiv3_008891 COc1ccc(cc1)C(=O)/C=C/2\Nc3ccc(cc3NC2=O)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E04 compound treatment 0.44 0.00488 0.23 0.447 0.00762 0.46 0.489 0.9502 3028853 ChemDiv3_008892 COc1ccc(cc1OC)S(=O)(=O)Nc2c(O)c3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E05 compound treatment 0.387 -0.0481 -2.29 0.376 -0.0634 -3.82 -4.3204 -0.9704 3028857 ChemDiv3_008893 OC1C(NN=C1c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E06 compound treatment 0.444 0.00888 0.42 0.434 -0.00538 -0.32 0.0703 0.132 3028859 ChemDiv3_008894 CCN(C(=O)c1cc2cc3ccc(C)cc3nc2s1)c4ccc(C)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E07 compound treatment 0.444 0.00888 0.42 0.447 0.00762 0.46 0.6238 0.9992 3028862 ChemDiv3_008895 CC(NC(=O)CCc1nc2ccccc2[nH]1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E08 compound treatment 0.491 0.0559 2.66 0.5 0.0606 3.65 4.4645 0.988 3028864 ChemDiv3_008896 CCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c4ccc(CC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E09 compound treatment 0.457 0.0219 1.04 0.455 0.0156 0.94 1.4026 0.9987 3121956 ChemDiv3_008897 C(Nc1nc2ccccc2n3nnnc13)C4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E10 compound treatment 0.496 0.0609 2.9 0.502 0.0626 3.77 4.7182 0.9916 3122138 ChemDiv3_008898 COc1ccc2nc3sc(cc3cc2c1)C(=O)N(C)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E11 compound treatment 0.438 0.00288 0.14 0.435 -0.00438 -0.26 -0.0894 -0.3009 3028868 ChemDiv3_008899 OC(=O)C1(CC2CC3C1)CC(C2)(C3)n4ncc(NCc5ccc(F)cc5)c(Cl)c4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E12 compound treatment 0.456 0.0209 1.0 0.453 0.0136 0.82 1.2837 0.9954 3122139 ChemDiv3_008900 CCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NCC(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E13 compound treatment 0.454 0.0189 0.9 0.458 0.0186 1.12 1.4292 0.994 3122140 ChemDiv3_008901 COc1ccccc1Cc2nnc(o2)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E14 compound treatment 0.46 0.0249 1.19 0.454 0.0146 0.88 1.4611 0.9893 3028927 ChemDiv3_008902 CN(Cc1ccccc1)C(=O)c2ccc3Sc4ccc(Cl)cc4C(=Nc3c2)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E15 compound treatment 0.466 0.0309 1.47 0.476 0.0366 2.21 2.6 0.9807 3028930 ChemDiv3_008903 CCOC(=O)c1[nH]c2ccc(OC)cc2c1C(SCC(=O)O)c3ccc(cc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E16 compound treatment 0.447 0.0119 0.57 0.438 -0.00138 -0.08 0.3417 0.5973 3028931 ChemDiv3_008904 COC(CNC(=O)CN1CCN(Cc2ccccc2)C1=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E17 compound treatment 0.446 0.0109 0.52 0.441 0.00162 0.1 0.4358 0.826 3028935 ChemDiv3_008905 Cc1ccc(C)c(c1)N2CCN(CCCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E18 compound treatment 0.506 0.0709 3.38 0.51 0.0706 4.25 5.3959 0.9935 3028936 ChemDiv3_008906 CC1CCCC(NC(=O)/C=C/2\Sc3ccccc3NC2=O)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E19 compound treatment 0.436 8.75E-4 0.04 0.436 -0.00338 -0.2 -0.1142 -0.5505 3028938 ChemDiv3_008907 OCCNC(=O)c1nnc(o1)c2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E20 compound treatment 0.45 0.0149 0.71 0.44 6.25E-4 0.04 0.528 0.7436 3122141 ChemDiv3_008908 COc1cccc(c1)N2CCN(CC2)C(=O)c3ccc(/C=C/4\Oc5ccccc5N(C)C4=O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E21 compound treatment 0.442 0.00688 0.33 0.443 0.00362 0.22 0.3861 0.9805 3028941 ChemDiv3_008909 Cc1cc(C)n(n1)c2nc3ccccc3nc2N4CCN(CC4)S(=O)(=O)c5ccc(F)c(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E22 compound treatment 0.451 0.0159 0.76 0.456 0.0166 1.0 1.2429 0.9905 3122142 ChemDiv3_008910 CN1C(=O)/C(=C/c2cccc(Cl)c2)/Sc3ccc(cc13)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E23 mock treatment 0.432 -0.00312 -0.15 0.434 -0.00538 -0.32 -0.3342 -0.938 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 E24 mock treatment 0.447 0.0119 0.57 0.444 0.00462 0.28 0.5972 0.9466 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F01 compound treatment 0.457 0.0219 1.04 0.451 0.0116 0.7 1.2323 0.9812 3028944 ChemDiv3_008911 Clc1cccc(/C=C\2/Oc3ccccc3N(CC(=O)NCC4COc5ccccc5O4)C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F02 compound treatment 0.56 0.125 5.95 0.559 0.12 7.2 9.3022 0.9955 3122143 ChemDiv3_008912 CCC(SC1=Nc2ccccc2C3=NC(C(=O)N31)c4ccccc4)C(=O)Nc5cccc(OC)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F03 compound treatment 0.468 0.0329 1.57 0.485 0.0456 2.75 3.0506 0.9646 3028946 ChemDiv3_008913 CNC(=O)CN1C(=O)/C(=C/c2ccccc2C)/Sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F04 compound treatment 0.447 0.0119 0.57 0.444 0.00462 0.28 0.5972 0.9466 3122144 ChemDiv3_008914 Cc1cc(nc2ccc(NC(=S)NCCN3CCOCC3)cc12)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F05 compound treatment 0.468 0.0329 1.57 0.475 0.0356 2.14 2.6249 0.9881 3122145 ChemDiv3_008915 CC(C)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F06 compound treatment 0.454 0.0189 0.9 0.46 0.0206 1.24 1.5143 0.9875 3122146 ChemDiv3_008916 Cc1ccc(cc1)N2C(=O)C3C4OC(CNC(=S)NCc5ccccc5)(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F07 compound treatment 0.453 0.0179 0.85 0.458 0.0186 1.12 1.3955 0.9908 3029128 ChemDiv3_008917 CN1CCN(CC1)c2ccccc2NC(=O)Cc3cn(C)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F08 compound treatment 0.473 0.0379 1.81 0.482 0.0426 2.57 3.0914 0.9852 1580348 ChemDiv3_008918 Clc1ccc(cc1)C2(CCCC2)C(=O)OCn3nnc4ccccc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F09 compound treatment 0.448 0.0129 0.61 0.441 0.00162 0.1 0.5032 0.8096 3029132 ChemDiv3_008919 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)/N=c/2\sc3ccccc3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F10 compound treatment 0.462 0.0269 1.28 0.467 0.0276 1.66 2.082 0.9917 3029134 ChemDiv3_008920 Cc1ccc(cc1)c2nn(c3ccc(C)cc3)c4c2cnc5c(F)cccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F11 compound treatment 0.45 0.0149 0.71 0.451 0.0116 0.7 0.9963 1.0 3029137 ChemDiv3_008921 Cc1noc(C)c1S(=O)(=O)NC2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F12 compound treatment 0.445 0.00988 0.47 0.448 0.00862 0.52 0.7001 0.9988 3029139 ChemDiv3_008922 CCSCC1COC(=N1)c2cccn2Cc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F13 compound treatment 0.492 0.0569 2.71 0.501 0.0616 3.71 4.5408 0.9881 3029141 ChemDiv3_008923 CCN(c1ccccc1)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F14 compound treatment 0.52 0.0849 4.05 0.517 0.0776 4.67 6.1658 0.9974 3029212 ChemDiv3_008924 CCc1ccc(/C=C/2\C(=N)N3N=C(SC3=NC2=O)S(=O)(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F15 compound treatment 0.455 0.0199 0.95 0.454 0.0146 0.88 1.2926 0.9993 3029215 ChemDiv3_008925 Cc1ccc(o1)c2nc3nc(C)cc(C)n3c2Nc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F16 compound treatment 0.459 0.0239 1.14 0.453 0.0136 0.82 1.3849 0.9871 3029216 ChemDiv3_008926 Fc1cccc(NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F17 compound treatment 0.459 0.0239 1.14 0.455 0.0156 0.94 1.47 0.9955 3029219 ChemDiv3_008927 COc1cc(cc(OC)c1OC)C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc34)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F18 compound treatment 0.515 0.0799 3.81 0.508 0.0686 4.13 5.6141 0.9992 3029220 ChemDiv3_008928 Cc1cccc(CCNS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F19 compound treatment 0.454 0.0189 0.9 0.448 0.00862 0.52 1.0034 0.9659 3029222 ChemDiv3_008929 COc1ccc(cc1OC)C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F20 compound treatment 0.567 0.132 6.29 0.565 0.126 7.56 9.7936 0.9958 1538082 ChemDiv3_008930 Cc1cccc(c1)n2c3ccccc3cc4c(=O)[nH]c(=O)nc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F21 compound treatment 0.434 -0.00112 -0.05 0.433 -0.00638 -0.38 -0.3093 -0.7981 3029226 ChemDiv3_008931 COC(=O)CSc1nc([nH]c1c2ccc(C)cc2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F22 compound treatment 0.439 0.00388 0.18 0.439 -3.75E-4 -0.02 0.1147 0.6161 3122147 ChemDiv3_008932 Cc1cccc(CN2CCC(CNC(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F23 mock treatment 0.437 0.00188 0.09 0.45 0.0106 0.64 0.5156 0.7981 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 F24 mock treatment 0.446 0.0109 0.52 0.448 0.00862 0.52 0.7338 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G01 compound treatment 0.438 0.00288 0.14 0.439 -3.75E-4 -0.02 0.0809 0.5828 3029231 ChemDiv3_008933 O=C(Nc1cccc(NC(=O)c2ccccc2)c1)C3COc4ccccc4O3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G02 compound treatment 0.447 0.0119 0.57 0.436 -0.00338 -0.2 0.2566 0.4266 1328889 ChemDiv3_008934 Clc1c(CN2CCCC2)c(=O)oc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G03 compound treatment 0.434 -0.00112 -0.05 0.433 -0.00638 -0.38 -0.3093 -0.7981 3029233 ChemDiv3_008935 Nc1nc(n[nH]1)c2ccc(Br)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G04 compound treatment 0.444 0.00888 0.42 0.451 0.0116 0.7 0.7941 0.9709 3122148 ChemDiv3_008936 Oc1c(NS(=O)(=O)c2ccc3CCCCc3c2)c(=O)oc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G05 compound treatment 0.438 0.00288 0.14 0.429 -0.0104 -0.62 -0.3448 -0.5391 3122149 ChemDiv3_008937 Fc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G06 compound treatment 0.574 0.139 6.62 0.551 0.112 6.72 9.4336 1.0 3029646 ChemDiv3_008938 Cc1ccc2cc3cc(sc3nc2c1)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G07 compound treatment 0.44 0.00488 0.23 0.437 -0.00238 -0.14 0.0632 0.2317 3122150 ChemDiv3_008939 Clc1nc2ccc(cc2n3cnnc13)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G08 compound treatment 0.538 0.103 4.9 0.543 0.104 6.24 7.8795 0.9929 1751250 ChemDiv3_008940 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G09 compound treatment 0.45 0.0149 0.71 0.443 0.00362 0.22 0.6557 0.8838 3122151 ChemDiv3_008941 CC(CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G10 compound treatment 0.517 0.0819 3.9 0.507 0.0676 4.07 5.6389 0.9998 3028652 ChemDiv3_008942 COc1ccc2nc3sc(cc3cc2c1)C(=O)N(CC=C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G11 compound treatment 0.433 -0.00212 -0.1 0.436 -0.00338 -0.2 -0.2153 -0.9483 3122152 ChemDiv3_008943 CC(C)n1nnc(CC(=O)NN)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G12 compound treatment 0.468 0.0329 1.57 0.462 0.0226 1.36 2.0714 0.9976 3122153 ChemDiv3_008944 CCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G13 compound treatment 0.432 -0.00312 -0.15 0.443 0.00362 0.22 0.049 0.1854 1026727 ChemDiv3_008945 COc1nc2ccccc2nc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G14 compound treatment 0.481 0.0459 2.19 0.48 0.0406 2.45 3.2759 0.9984 3122154 ChemDiv3_008946 CCC1=Nc2cc(ccc2Sc3ccc(C)cc13)C(=O)N(C)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G15 compound treatment 0.438 0.00288 0.14 0.435 -0.00438 -0.26 -0.0894 -0.3009 3028659 ChemDiv3_008947 Fc1ccc(Cc2nnn[nH]2)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G16 compound treatment 0.439 0.00388 0.18 0.436 -0.00338 -0.2 -0.0131 -0.0476 3122155 ChemDiv3_008948 O=C(CN1CCN(Cc2ccccc2)C1=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G17 compound treatment 0.446 0.0109 0.52 0.446 0.00662 0.4 0.6486 0.9916 3028663 ChemDiv3_008949 Cc1ccc(Cc2nnn[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G18 compound treatment 0.505 0.0699 3.33 0.512 0.0726 4.37 5.4473 0.991 3122156 ChemDiv3_008950 O=C(NCCc1ccccc1)/C=C/2\Sc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G19 compound treatment 0.427 -0.00812 -0.39 0.435 -0.00438 -0.26 -0.4601 -0.9824 3028666 ChemDiv3_008951 Clc1cccc(c1)c2nnc(o2)C(=O)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G20 compound treatment 0.479 0.0439 2.09 0.478 0.0386 2.33 3.1234 0.9986 3122157 ChemDiv3_008952 CN1C(=O)/C(=C/c2ccc(cc2)C(=O)N3CCC(Cc4ccccc4)CC3)/Oc5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G21 compound treatment 0.433 -0.00212 -0.1 0.436 -0.00338 -0.2 -0.2153 -0.9483 3122158 ChemDiv3_008953 CC1CN(CCN1c2ccc(C)cc2)c3cnn(c4nc5ccccc5s4)c(=O)c3N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G22 compound treatment 0.428 -0.00712 -0.34 0.433 -0.00638 -0.38 -0.5116 -0.9981 3028721 ChemDiv3_008954 CC1CC(C)CN(CCCNC(=O)c2ccc3S/C(=C\c4ccccc4F)/C(=O)N(C)c3c2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G23 mock treatment 0.429 -0.00612 -0.29 0.431 -0.00838 -0.5 -0.563 -0.9663 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 G24 mock treatment 0.436 8.75E-4 0.04 0.433 -0.00638 -0.38 -0.2419 -0.6266 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H01 compound treatment 0.442 0.00688 0.33 0.447 0.00762 0.46 0.5564 0.9863 3122159 ChemDiv3_008955 Fc1ccccc1/C=C/2\Oc3ccccc3N(CC(=O)N4CCCC4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H02 compound treatment 0.437 0.00188 0.09 0.432 -0.00738 -0.44 -0.2508 -0.5537 3122160 ChemDiv3_008956 CCC(SC1=Nc2ccccc2C3=NC(C(=O)N31)c4ccccc4)C(=O)NCc5ccc(C)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H03 compound treatment 0.481 0.0459 2.19 0.478 0.0386 2.33 3.1908 0.9995 3028724 ChemDiv3_008957 FC(F)(F)c1ccc(/C=C\2/Sc3ccccc3N(CC(=O)N4CCc5ccccc5C4)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H04 compound treatment 0.413 -0.0221 -1.05 0.415 -0.0244 -1.47 -1.7835 -0.9869 3122161 ChemDiv3_008958 CCc1ccc(CNC(=S)Nc2ccc3nc(cc(C)c3c2)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H05 compound treatment 0.437 0.00188 0.09 0.432 -0.00738 -0.44 -0.2508 -0.5537 3028730 ChemDiv3_008959 Cc1cc(NC(=O)C2CCCCC2)nc3c4ccccc4oc(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H06 compound treatment 0.511 0.0759 3.62 0.498 0.0586 3.53 5.0535 0.9999 1209934 ChemDiv3_008960 O=C(OCn1nnc2ccccc2c1=O)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H07 compound treatment 0.448 0.0129 0.61 0.437 -0.00238 -0.14 0.3329 0.5282 3122162 ChemDiv3_008961 COc1ccc(CNC(=O)Cc2cn(C)c3ccccc23)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H08 compound treatment 0.435 -1.25E-4 -0.01 0.434 -0.00538 -0.32 -0.2331 -0.72 1398426 ChemDiv3_008962 COCC(=O)OCn1nnc2ccccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H09 compound treatment 0.432 -0.00312 -0.15 0.438 -0.00138 -0.08 -0.1639 -0.9616 3122346 ChemDiv3_008963 Cn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc23)/sc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H10 compound treatment 0.456 0.0209 1.0 0.45 0.0106 0.64 1.156 0.9772 3028735 ChemDiv3_008964 COc1cccc(c1)c2nn(c3ccccc3)c4c2cnc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H11 compound treatment 0.433 -0.00212 -0.1 0.434 -0.00538 -0.32 -0.3005 -0.886 3122347 ChemDiv3_008965 CC1CCN(CC1)S(=O)(=O)c2c(C)noc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H12 compound treatment 0.435 -1.25E-4 -0.01 0.43 -0.00938 -0.56 -0.4034 -0.7145 3028737 ChemDiv3_008966 CCC1COC(=N1)c2cccn2Cc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H13 compound treatment 0.458 0.0229 1.09 0.473 0.0336 2.02 2.2026 0.9579 3028795 ChemDiv3_008967 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H14 compound treatment 0.812 0.377 17.97 0.811 0.372 22.38 28.5254 0.9941 3122348 ChemDiv3_008968 CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3c(C)[nH]c4ccc(C)cc34)/C2=N)S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H15 compound treatment 0.456 0.0209 1.0 0.455 0.0156 0.94 1.3689 0.9996 3028797 ChemDiv3_008969 CSc1ccc(cc1)c2nc3ncccn3c2Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H16 compound treatment 0.444 0.00888 0.42 0.438 -0.00138 -0.08 0.2406 0.5582 3122349 ChemDiv3_008970 CN(c1cccc(C)c1)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H17 compound treatment 0.452 0.0169 0.8 0.456 0.0166 1.0 1.2766 0.9941 3028798 ChemDiv3_008971 Fc1cccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H18 compound treatment 0.434 -0.00112 -0.05 0.43 -0.00938 -0.56 -0.4371 -0.7708 3122350 ChemDiv3_008972 O=C(C1CCC1)N2CCc3cc(ccc23)S(=O)(=O)NCCN4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H19 compound treatment 0.564 0.129 6.14 0.56 0.121 7.26 9.4797 0.9965 3122351 ChemDiv3_008973 COc1cccc(NC(=O)c2cn(C3CCCC3)c(=O)c4n(C)c5ccccc5c24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H20 compound treatment 0.442 0.00688 0.33 0.444 0.00462 0.28 0.4286 0.9967 1742555 ChemDiv3_008974 Cn1c(=O)nc2n(c3ccc(Cl)c(Cl)c3)c4ccccc4cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H21 compound treatment 0.435 -1.25E-4 -0.01 0.432 -0.00738 -0.44 -0.3182 -0.7165 3122352 ChemDiv3_008975 Cc1ccc(cc1)c2[nH]c(nc2SCC(=O)NCC3CCCO3)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H22 compound treatment 0.427 -0.00812 -0.39 0.433 -0.00638 -0.38 -0.5453 -1.0 3028802 ChemDiv3_008976 Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCC4(CCCC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H23 mock treatment 0.442 0.00688 0.33 0.433 -0.00638 -0.38 -0.0397 -0.0786 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 H24 mock treatment 0.432 -0.00312 -0.15 0.442 0.00262 0.16 0.0064 0.0296 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I01 compound treatment 0.455 0.0199 0.95 0.46 0.0206 1.24 1.548 0.9911 3122353 ChemDiv3_008977 O=C(c1n[nH]c2CCCCc12)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I02 compound treatment 0.444 0.00888 0.42 0.449 0.00962 0.58 0.7089 0.988 3028804 ChemDiv3_008978 CCOC(=O)c1ncn(n1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I03 compound treatment 0.442 0.00688 0.33 0.44 6.25E-4 0.04 0.2583 0.7832 3122354 ChemDiv3_008979 CC1=NN(C(=O)C1)c2nc3ccccc3nc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I04 compound treatment 0.436 8.75E-4 0.04 0.434 -0.00538 -0.32 -0.1993 -0.6109 3028806 ChemDiv3_008980 OC(=O)CSc1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I05 compound treatment 0.442 0.00688 0.33 0.434 -0.00538 -0.32 0.0029 0.0063 3122355 ChemDiv3_008981 O=C(CN1CC(CC1=O)c2ccccc2)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I06 compound treatment 0.474 0.0389 1.85 0.476 0.0366 2.21 2.8697 0.9963 3122356 ChemDiv3_008982 CCc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I07 compound treatment 0.454 0.0189 0.9 0.443 0.00362 0.22 0.7906 0.8539 3028808 ChemDiv3_008983 Brc1ccc(cc1)S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I08 compound treatment 0.508 0.0729 3.47 0.517 0.0776 4.67 5.7613 0.9893 3122357 ChemDiv3_008984 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I09 compound treatment 0.435 -1.25E-4 -0.01 0.446 0.00662 0.4 0.2778 0.6965 3028810 ChemDiv3_008985 Clc1ccc(Cc2nnc(o2)C(=O)NC3CCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I10 compound treatment 0.575 0.14 6.67 0.565 0.126 7.56 10.0633 0.998 3122358 ChemDiv3_008986 CCc1cccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I11 compound treatment 0.442 0.00688 0.33 0.432 -0.00738 -0.44 -0.0822 -0.149 3122359 ChemDiv3_008987 CCOC(=O)c1nnc(Cc2ccc(F)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I12 compound treatment 0.455 0.0199 0.95 0.444 0.00462 0.28 0.8668 0.8778 3028873 ChemDiv3_008988 CCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I13 compound treatment 0.448 0.0129 0.61 0.44 6.25E-4 0.04 0.4606 0.7491 3122360 ChemDiv3_008989 COc1cc(Cc2nnc(o2)C(=O)NC3CCCCCC3)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I14 compound treatment 0.437 0.00188 0.09 0.444 0.00462 0.28 0.2601 0.8894 3122361 ChemDiv3_008990 CCC1=Nc2cc(ccc2Sc3ccc(Br)cc13)C(=O)NCCCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I15 compound treatment 0.433 -0.00212 -0.1 0.429 -0.0104 -0.62 -0.5133 -0.8112 3028877 ChemDiv3_008991 CCOC(=O)c1nnc(o1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I16 compound treatment 0.478 0.0429 2.04 0.466 0.0266 1.6 2.5788 0.9928 3122362 ChemDiv3_008992 COC(CNC(=O)/C=C/1\Sc2ccccc2N(Cc3ccccc3F)C1=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I17 compound treatment 0.446 0.0109 0.52 0.448 0.00862 0.52 0.7338 1.0 3028879 ChemDiv3_008993 COc1ccc(cc1)N2CCN(CCNC(=O)c3nnc(Cc4ccccc4Cl)o3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I18 compound treatment 0.457 0.0219 1.04 0.462 0.0226 1.36 1.7006 0.9913 3122363 ChemDiv3_008994 O=C(NCCCN1CCC(Cc2ccccc2)CC1)/C=C/3\Sc4ccccc4NC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I19 compound treatment 0.505 0.0699 3.33 0.504 0.0646 3.89 5.1067 0.997 3028881 ChemDiv3_008995 Cc1ccc(Cc2nnc(o2)C(=O)NCCC3=CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I20 compound treatment 0.543 0.108 5.14 0.561 0.122 7.32 8.8144 0.985 3122364 ChemDiv3_008996 Fc1ccccc1CN2C(=O)/C(=C/c3ccc(cc3)C(=O)NCc4cccnc4)/Sc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I21 compound treatment 0.435 -1.25E-4 -0.01 0.436 -0.00338 -0.2 -0.1479 -0.7275 3122365 ChemDiv3_008997 Cc1nnn(n1)C2(CC3CC4CC(C3)(C2)C(=O)N5CCCCCC5)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I22 compound treatment 0.516 0.0809 3.86 0.524 0.0846 5.1 6.329 0.9905 3028883 ChemDiv3_008998 CC1CCN(CC1)C(=O)c2ccc3S/C(=C\c4cccc(C)c4)/C(=O)N(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I23 mock treatment 0.433 -0.00212 -0.1 0.437 -0.00238 -0.14 -0.1727 -0.9857 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 I24 mock treatment 0.431 -0.00412 -0.2 0.445 0.00562 0.34 0.1004 0.2565 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J01 compound treatment 0.481 0.0459 2.19 0.479 0.0396 2.39 3.2334 0.9991 3122366 ChemDiv3_008999 CC1CCCC(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)/Oc4ccccc24)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J02 compound treatment 0.438 0.00288 0.14 0.43 -0.00938 -0.56 -0.3022 -0.5203 3028885 ChemDiv3_009000 CCN(Cc1ccccc1)C(=O)CSC2=Nc3ccccc3C4=NC(C(=O)N42)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J03 compound treatment 0.549 0.114 5.43 0.527 0.0876 5.28 7.5691 0.9999 3122367 ChemDiv3_009001 CN(Cc1ccco1)C(=O)CN2C(=O)/C(=C\c3ccc(cc3)C(F)(F)F)/Sc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J04 compound treatment 0.435 -1.25E-4 -0.01 0.437 -0.00238 -0.14 -0.1053 -0.7359 3122368 ChemDiv3_009002 Cc1cc(nc2ccc(NC(=S)NCCN3CCc4ccccc4C3)cc12)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J05 compound treatment 0.451 0.0159 0.76 0.455 0.0156 0.94 1.2003 0.9942 3028889 ChemDiv3_009003 Cc1cc(NC(=O)CCC2CCCC2)nc3c4ccccc4oc(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J06 compound treatment 0.448 0.0129 0.61 0.441 0.00162 0.1 0.5032 0.8096 3028815 ChemDiv3_009004 O=C(OCn1nnc2ccccc2c1=O)/C=C\c3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J07 compound treatment 0.444 0.00888 0.42 0.439 -3.75E-4 -0.02 0.2832 0.6684 3122369 ChemDiv3_009005 COC(=O)c1ccc2n(C)/c(=N/C(=O)CSC(=O)C)/sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J08 compound treatment 0.435 -1.25E-4 -0.01 0.439 -3.75E-4 -0.02 -0.0202 -0.8641 3028817 ChemDiv3_009006 O=C(CCCc1ccccc1)OCn2nnc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J09 compound treatment 0.437 0.00188 0.09 0.44 6.25E-4 0.04 0.0898 0.9261 3122370 ChemDiv3_009007 CCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)/sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J10 compound treatment 0.449 0.0139 0.66 0.444 0.00462 0.28 0.6646 0.9261 3122371 ChemDiv3_009008 COc1ccc(cc1OC)c2nn(c3ccc(C)c(Cl)c3)c4c2cnc5ccc(F)cc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J11 compound treatment 0.44 0.00488 0.23 0.438 -0.00138 -0.08 0.1058 0.4288 3028822 ChemDiv3_009009 CC(NS(=O)(=O)c1c(C)noc1C)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J12 compound treatment 0.481 0.0459 2.19 0.48 0.0406 2.45 3.2759 0.9984 3122372 ChemDiv3_009010 CCC(C)C1COC(=N1)c2cccn2Cc3c(C)cc(C)cc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J13 compound treatment 0.465 0.0299 1.42 0.457 0.0176 1.06 1.7574 0.9895 3028824 ChemDiv3_009011 CCCCN(C)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J14 compound treatment 0.613 0.178 8.48 0.604 0.165 9.91 13.0046 0.997 3122373 ChemDiv3_009012 CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)/C2=N)S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J15 compound treatment 0.461 0.0259 1.23 0.471 0.0316 1.9 2.2186 0.9779 3028829 ChemDiv3_009013 CCc1cccc(C)c1Nc2c(nc3ncccn23)c4ccccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J16 compound treatment 0.44 0.00488 0.23 0.429 -0.0104 -0.62 -0.2774 -0.4162 3122560 ChemDiv3_009014 O=C(C1CC1)N2CCc3cc(ccc23)S(=O)(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J17 compound treatment 0.435 -1.25E-4 -0.01 0.445 0.00562 0.34 0.2353 0.6946 3028893 ChemDiv3_009015 Fc1cccc(Cl)c1C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J18 compound treatment 0.441 0.00588 0.28 0.446 0.00662 0.4 0.4801 0.985 3122561 ChemDiv3_009016 COc1ccc(N(C)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CCC4)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J19 compound treatment 0.482 0.0469 2.23 0.498 0.0586 3.53 4.076 0.9757 3028897 ChemDiv3_009017 COc1ccccc1CNC(=O)c2cn(C3CCCC3)c(=O)c4n(C)c5ccccc5c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J20 compound treatment 0.477 0.0419 2.0 0.498 0.0586 3.53 3.9075 0.9636 3122562 ChemDiv3_009018 Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J21 compound treatment 0.532 0.0969 4.62 0.547 0.108 6.48 7.8475 0.9862 3122563 ChemDiv3_009019 CSc1ccc(cc1)c2nc(SCC(=O)NCc3ccco3)c([nH]2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J22 compound treatment 0.477 0.0419 2.0 0.504 0.0646 3.89 4.1629 0.9519 3028901 ChemDiv3_009020 Clc1ccccc1CSc2nc3n(ncc3c(=O)[nH]2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J23 mock treatment 0.43 -0.00512 -0.24 0.431 -0.00838 -0.5 -0.5293 -0.9447 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 J24 mock treatment 0.432 -0.00312 -0.15 0.439 -3.75E-4 -0.02 -0.1213 -0.8051 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K01 compound treatment 0.448 0.0129 0.61 0.445 0.00562 0.34 0.6735 0.9607 3028903 ChemDiv3_009021 O=C(c1cc(n[nH]1)C2CC2)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K02 compound treatment 0.448 0.0129 0.61 0.448 0.00862 0.52 0.8012 0.9965 3122564 ChemDiv3_009022 CNc1c(NS(=O)(=O)c2ccc(C)cc2C)c(=O)oc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K03 compound treatment 0.437 0.00188 0.09 0.437 -0.00238 -0.14 -0.0379 -0.2248 3122565 ChemDiv3_009023 O=C(CN1CC(CC1=O)c2ccccc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K04 compound treatment 0.451 0.0159 0.76 0.447 0.00762 0.46 0.8597 0.9713 3028906 ChemDiv3_009024 C1Oc2ccc(cc2O1)c3nnn[nH]3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K05 compound treatment 0.451 0.0159 0.76 0.45 0.0106 0.64 0.9875 0.9965 3029994 ChemDiv3_009025 Cc1cc(C)n(n1)c2nc3cc(C)ccc3nc2N4CCN(CC4)c5cccc(C)c5C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K06 compound treatment 0.459 0.0239 1.14 0.467 0.0276 1.66 1.9809 0.9829 3029995 ChemDiv3_009026 Cc1ccc2cc3cc(sc3nc2c1)C(=O)NCCN4CCN(CC4)c5cccc(Cl)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K07 compound treatment 0.447 0.0119 0.57 0.427 -0.0124 -0.75 -0.1266 -0.1353 3029996 ChemDiv3_009027 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K08 compound treatment 0.424 -0.0111 -0.53 0.42 -0.0194 -1.17 -1.1999 -0.9363 3029997 ChemDiv3_009028 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCC4CCN(Cc5cccc(C)c5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K09 compound treatment 0.481 0.0459 2.19 0.474 0.0346 2.08 3.0205 0.9997 3029998 ChemDiv3_009029 CC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K10 compound treatment 0.47 0.0349 1.66 0.473 0.0336 2.02 2.6071 0.9952 3029999 ChemDiv3_009030 CC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NCc4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K11 compound treatment 0.444 0.00888 0.42 0.442 0.00262 0.16 0.4109 0.9099 3122566 ChemDiv3_009031 Fc1ccc(Cc2nnc(o2)C(=O)NCCc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K12 compound treatment 0.511 0.0759 3.62 0.507 0.0676 4.07 5.4367 0.9983 3030000 ChemDiv3_009032 CCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)N4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K13 compound treatment 0.445 0.00988 0.47 0.433 -0.00638 -0.38 0.0614 0.1012 3122567 ChemDiv3_009033 COc1cc(Cc2nnc(o2)C(=O)NCc3ccccc3)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K14 compound treatment 0.46 0.0249 1.19 0.474 0.0346 2.08 2.3126 0.9642 3122568 ChemDiv3_009034 CCC1=Nc2cc(ccc2Sc3ccc(Br)cc13)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K15 compound treatment 0.439 0.00388 0.18 0.436 -0.00338 -0.2 -0.0131 -0.0476 3030001 ChemDiv3_009035 CNC(=O)c1nnc(o1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K16 compound treatment 0.495 0.0599 2.85 0.486 0.0466 2.81 4.0033 1.0 3030002 ChemDiv3_009036 O=C(NCc1cccnc1)/C=C/2\Sc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K17 compound treatment 0.446 0.0109 0.52 0.44 6.25E-4 0.04 0.3932 0.7564 3122569 ChemDiv3_009037 Cc1nnc2c(Nc3ccc4OCOc4c3)nc5ccccc5n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K18 compound treatment 0.466 0.0309 1.47 0.469 0.0296 1.78 2.302 0.9954 3122570 ChemDiv3_009038 O=C(/C=C/1\Sc2ccccc2NC1=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K19 compound treatment 0.498 0.0629 3.0 0.507 0.0676 4.07 4.9985 0.9886 3030003 ChemDiv3_009039 Cc1ccc(Cc2nnc(o2)C(=O)NCc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K20 compound treatment 0.531 0.0959 4.57 0.536 0.0966 5.82 7.3455 0.9929 3122571 ChemDiv3_009040 COC(CNC(=O)c1ccc(/C=C/2\Sc3ccccc3N(Cc4ccc(F)cc4)C2=O)cc1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K21 compound treatment 0.428 -0.00712 -0.34 0.431 -0.00838 -0.5 -0.5967 -0.9815 3030004 ChemDiv3_009041 CCOC(=O)CSc1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K22 compound treatment 0.535 0.0999 4.76 0.56 0.121 7.26 8.5021 0.979 3122572 ChemDiv3_009042 CC(C)NC(=O)c1ccc2S/C(=C\c3cccc(C)c3)/C(=O)N(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K23 mock treatment 0.43 -0.00512 -0.24 0.43 -0.00938 -0.56 -0.5719 -0.9298 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 K24 mock treatment 0.449 0.0139 0.66 0.453 0.0136 0.82 1.0478 0.9943 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L01 compound treatment 0.457 0.0219 1.04 0.463 0.0236 1.42 1.7432 0.9883 3122573 ChemDiv3_009043 COc1cccc(/C=C\2/Oc3ccccc3N(CC(=O)NCC4CCCO4)C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L02 compound treatment 0.45 0.0149 0.71 0.446 0.00662 0.4 0.7835 0.963 3030005 ChemDiv3_009044 CN(C1CCCCC1)C(=O)CSC2=Nc3ccccc3C4=NC(C(=O)N42)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L03 compound treatment 0.464 0.0289 1.38 0.463 0.0236 1.42 1.9791 0.9999 3122574 ChemDiv3_009045 CSc1nc2NC(=C(C(C(C)C)n2n1)C(=O)Nc3ccccc3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L04 compound treatment 0.437 0.00188 0.09 0.437 -0.00238 -0.14 -0.0379 -0.2248 3030006 ChemDiv3_009046 Cc1cc(nc2ccc(NC(=S)NC3CCCC3)cc12)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L05 compound treatment 0.454 0.0189 0.9 0.449 0.00962 0.58 1.046 0.9774 3122575 ChemDiv3_009047 COc1ccc(cc1)c2noc(CCC(=O)NCCN3CCN(CC3)c4ccccc4F)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L06 compound treatment 0.443 0.00788 0.38 0.438 -0.00138 -0.08 0.2069 0.5382 3122576 ChemDiv3_009048 O=C(CC1CCCCC1)OCn2nnc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L07 compound treatment 0.467 0.0319 1.52 0.46 0.0206 1.24 1.9525 0.995 3030007 ChemDiv3_009049 CC(=O)SCC(=O)/N=c/1\sc2cc(F)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L08 compound treatment 0.38 -0.0551 -2.63 0.388 -0.0514 -3.09 -4.0454 -0.9967 3122577 ChemDiv3_009050 COc1cc(OC)c2c3n(nc(C)c3cnc2c1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L09 compound treatment 0.549 0.114 5.43 0.561 0.122 7.32 9.0166 0.9891 3030008 ChemDiv3_009051 CCn1/c(=N/C(=O)CSCC(=O)Nc2nc(cs2)c3ccccc3)/sc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L10 compound treatment 0.445 0.00988 0.47 0.446 0.00662 0.4 0.6149 0.9966 3122578 ChemDiv3_009052 Fc1ccc(Cn2cccc2C3=NC(CO3)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L11 compound treatment 0.445 0.00988 0.47 0.442 0.00262 0.16 0.4446 0.8954 1716980 ChemDiv3_009053 CC1Cc2ccccc2N1S(=O)(=O)c3c(C)noc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L12 compound treatment 0.451 0.0159 0.76 0.444 0.00462 0.28 0.732 0.9078 3030009 ChemDiv3_009054 CCN(C(=O)Cn1cccc1C2=NC(CO2)c3ccccc3)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L13 compound treatment 0.49 0.0549 2.62 0.478 0.0386 2.33 3.4942 0.9983 3122579 ChemDiv3_009055 CCN(CC)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L14 compound treatment 0.444 0.00888 0.42 0.439 -3.75E-4 -0.02 0.2832 0.6684 3122580 ChemDiv3_009056 CC1Cc2cc(ccc2N1C(=O)C)S(=O)(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L15 compound treatment 0.445 0.00988 0.47 0.43 -0.00938 -0.56 -0.0663 -0.0902 3030010 ChemDiv3_009057 Cc1cc(C)n2c(Nc3cccc(c3)C(F)(F)F)c(nc2n1)c4ccc(O)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L16 compound treatment 0.452 0.0169 0.8 0.435 -0.00438 -0.26 0.3826 0.4519 3122581 ChemDiv3_009058 O=C(C1CC1)N2CCc3cc(ccc23)S(=O)(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L17 compound treatment 0.458 0.0229 1.09 0.453 0.0136 0.82 1.3511 0.9902 3030011 ChemDiv3_009059 Fc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)c(F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L18 compound treatment 0.442 0.00688 0.33 0.446 0.00662 0.4 0.5138 0.9952 3122582 ChemDiv3_009060 CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L19 compound treatment 0.448 0.0129 0.61 0.455 0.0156 0.94 1.0992 0.9786 3122583 ChemDiv3_009061 COc1ccc(CCNC(=O)c2cn(C3CCCC3)c(=O)c4n(C)c5ccccc5c24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L20 compound treatment 0.436 8.75E-4 0.04 0.429 -0.0104 -0.62 -0.4122 -0.6584 3030012 ChemDiv3_009062 CCCCN(CC)C(=O)c1cc2cc3ccc(C)cc3nc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L21 compound treatment 0.43 -0.00512 -0.24 0.439 -3.75E-4 -0.02 -0.1887 -0.7692 3122584 ChemDiv3_009063 Fc1ccc(cc1)c2nc(SCC(=O)NC3CCCC3)c([nH]2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L22 compound treatment 0.455 0.0199 0.95 0.452 0.0126 0.76 1.2074 0.994 3030013 ChemDiv3_009064 FC(F)(F)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L23 mock treatment 0.44 0.00488 0.23 0.447 0.00762 0.46 0.489 0.9502 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 L24 mock treatment 0.442 0.00688 0.33 0.441 0.00162 0.1 0.3009 0.8798 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M01 compound treatment 0.448 0.0129 0.61 0.437 -0.00238 -0.14 0.3329 0.5282 3122585 ChemDiv3_009065 C(Cc1ccccc1)Nc2nc3ccccc3n4cnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M02 compound treatment 0.478 0.0429 2.04 0.489 0.0496 2.99 3.558 0.9829 3122586 ChemDiv3_009066 O=C(NCCc1ccccc1)c2cccc(Nc3nc4ccccc4n5nnnc35)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M03 compound treatment 0.474 0.0389 1.85 0.478 0.0386 2.33 2.9548 0.9937 3030014 ChemDiv3_009067 CC(C)c1cc([nH]n1)C(=O)Nc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M04 compound treatment 0.441 0.00588 0.28 0.448 0.00862 0.52 0.5652 0.958 3030015 ChemDiv3_009068 CN1c2ccccc2Oc3nnc(cc13)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M05 compound treatment 0.442 0.00688 0.33 0.439 -3.75E-4 -0.02 0.2158 0.6568 3122769 ChemDiv3_009069 COc1ccc(Cc2nnc(o2)c3ccc(C)cc3)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M06 compound treatment 0.525 0.0899 4.28 0.514 0.0746 4.49 6.2066 0.9997 3122770 ChemDiv3_009070 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M07 compound treatment 0.436 8.75E-4 0.04 0.434 -0.00538 -0.32 -0.1993 -0.6109 3030016 ChemDiv3_009071 O=C(CCc1nc2ccccc2[nH]1)N3CCN(CC3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M08 compound treatment 0.494 0.0589 2.81 0.501 0.0616 3.71 4.6082 0.9905 3122771 ChemDiv3_009072 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCN4CCN(CC4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M09 compound treatment 0.439 0.00388 0.18 0.439 -3.75E-4 -0.02 0.1147 0.6161 3122772 ChemDiv3_009073 Cc1cccc(C)c1NC(=O)C2NC(=O)CC2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M10 compound treatment 0.501 0.0659 3.14 0.515 0.0756 4.55 5.4402 0.9835 3030017 ChemDiv3_009074 CC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M11 compound treatment 0.434 -0.00112 -0.05 0.439 -3.75E-4 -0.02 -0.0539 -0.9261 3122773 ChemDiv3_009075 COc1ccccc1CNC(=O)c2nnc(Cc3ccc(F)cc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M12 compound treatment 0.439 0.00388 0.18 0.446 0.00662 0.4 0.4127 0.9388 3030018 ChemDiv3_009076 CCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M13 compound treatment 0.446 0.0109 0.52 0.453 0.0136 0.82 0.9467 0.9755 3122774 ChemDiv3_009077 Cc1cc(C)n(n1)c2nc3cc(Cl)c(Cl)cc3n4c(C)nnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M14 compound treatment 0.445 0.00988 0.47 0.441 0.00162 0.1 0.402 0.8362 3122775 ChemDiv3_009078 CCC(C)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M15 compound treatment 0.569 0.134 6.38 0.568 0.129 7.74 9.9888 0.9954 3030019 ChemDiv3_009079 COc1cc(Nc2cnn(c3nc4ccccc4s3)c(=O)c2Cl)cc(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M16 compound treatment 0.484 0.0489 2.33 0.481 0.0416 2.51 3.4196 0.9993 3122776 ChemDiv3_009080 CCC(C)NC(=O)/C=C/1\Sc2ccccc2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M17 compound treatment 0.44 0.00488 0.23 0.438 -0.00138 -0.08 0.1058 0.4288 3030020 ChemDiv3_009081 CCCOC(=O)c1ccc(Nc2nc3ccccc3n4c(C)nnc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M18 compound treatment 0.524 0.0889 4.24 0.534 0.0946 5.7 7.0244 0.9894 3122777 ChemDiv3_009082 Fc1ccccc1CN2C(=O)/C(=C/c3ccc(cc3)C(=O)NCc4ccco4)/Oc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M19 compound treatment 0.428 -0.00712 -0.34 0.446 0.00662 0.4 0.0419 0.08 3122778 ChemDiv3_009083 Cc1nnn(n1)C2(CC3CC4CC(C3)(C2)C(=O)NCc5ccccc5)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M20 compound treatment 0.548 0.113 5.38 0.546 0.107 6.42 8.3443 0.9961 3030021 ChemDiv3_009084 CN1C(=O)/C(=C\c2ccccc2)/Sc3ccc(cc13)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M21 compound treatment 0.475 0.0399 1.9 0.472 0.0326 1.96 2.7331 0.9999 3122779 ChemDiv3_009085 Cc1cc(C)n(n1)c2nc3ccccc3nc2N4CCN(CC4)S(=O)(=O)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M22 compound treatment 0.527 0.0919 4.38 0.531 0.0916 5.52 6.9978 0.9935 3030022 ChemDiv3_009086 CC(C)CCNC(=O)c1ccc2S/C(=C\c3cccc(C)c3)/C(=O)N(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M23 mock treatment 0.435 -1.25E-4 -0.01 0.438 -0.00138 -0.08 -0.0628 -0.756 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 M24 mock treatment 0.44 0.00488 0.23 0.451 0.0116 0.7 0.6593 0.8939 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N01 compound treatment 0.566 0.131 6.24 0.554 0.115 6.9 9.2916 0.9987 3122780 ChemDiv3_009087 Fc1ccccc1/C=C/2\Sc3ccccc3N(CC(=O)NCc4ccc5OCOc5c4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N02 compound treatment 0.432 -0.00312 -0.15 0.433 -0.00638 -0.38 -0.3768 -0.915 3030023 ChemDiv3_009088 COC(=O)c1nnn(CC(=O)Nc2ccccc2)c1C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N03 compound treatment 0.458 0.0229 1.09 0.459 0.0196 1.18 1.6066 0.9992 3122781 ChemDiv3_009089 CC(C)CC1C(=C(C)Nc2nc(SCc3cccc(C)c3)nn12)C(=O)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N04 compound treatment 0.432 -0.00312 -0.15 0.43 -0.00938 -0.56 -0.5045 -0.8641 3122782 ChemDiv3_009090 CC1CC(C)CN(C1)C(=S)Nc2ccc3nc(cc(C)c3c2)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N05 compound treatment 0.451 0.0159 0.76 0.433 -0.00638 -0.38 0.2637 0.3108 3030024 ChemDiv3_009091 Cn1cc(CC(=O)NCCCN2CCOCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N06 compound treatment 0.47 0.0349 1.66 0.458 0.0186 1.12 1.9685 0.9816 1175426 ChemDiv3_009092 CCC(C(=O)OCn1nnc2ccccc2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N07 compound treatment 0.443 0.00788 0.38 0.433 -0.00638 -0.38 -0.006 -0.0111 3030025 ChemDiv3_009093 CC(=O)SCC(=O)/N=c/1\sc2ccccc2n1CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N08 compound treatment 0.438 0.00288 0.14 0.429 -0.0104 -0.62 -0.3448 -0.5391 3122783 ChemDiv3_009094 c1ccc(cc1)c2nn(c3ccccc3)c4c2cnc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N09 compound treatment 0.508 0.0729 3.47 0.498 0.0586 3.53 4.9524 1.0 3030026 ChemDiv3_009095 COC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N10 compound treatment 0.449 0.0139 0.66 0.439 -3.75E-4 -0.02 0.4517 0.6826 3122784 ChemDiv3_009096 Cc1ccc(Cn2cccc2C3=NC(Cc4ccccc4)CO3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N11 compound treatment 0.444 0.00888 0.42 0.436 -0.00338 -0.2 0.1555 0.3312 3030027 ChemDiv3_009097 Cc1noc(C)c1S(=O)(=O)Nc2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N12 compound treatment 0.51 0.0749 3.57 0.498 0.0586 3.53 5.0198 1.0 3122785 ChemDiv3_009098 Cc1oc(nc1Cn2cccc2C3=NC(CO3)c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N13 compound treatment 0.441 0.00588 0.28 0.443 0.00362 0.22 0.3524 0.9924 3030028 ChemDiv3_009099 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N14 compound treatment 0.434 -0.00112 -0.05 0.432 -0.00738 -0.44 -0.3519 -0.7868 3122786 ChemDiv3_009100 CC1Cc2cc(ccc2N1C(=O)C)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N15 compound treatment 0.45 0.0149 0.71 0.44 6.25E-4 0.04 0.528 0.7436 3030081 ChemDiv3_009101 CC(C)C(=O)N1N=C(CC1c2ccccc2)c3ccc(NS(=O)(=O)C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N16 compound treatment 0.443 0.00788 0.38 0.436 -0.00338 -0.2 0.1218 0.2852 3030082 ChemDiv3_009102 CCOc1ccc(CCNS(=O)(=O)c2ccc3N(CCc3c2)C(=O)C4CC4)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N17 compound treatment 0.449 0.0139 0.66 0.449 0.00962 0.58 0.8775 0.9978 3030083 ChemDiv3_009103 O=C(CSc1nnc(CNC(=O)c2cccs2)o1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N18 compound treatment 0.442 0.00688 0.33 0.44 6.25E-4 0.04 0.2583 0.7832 3030084 ChemDiv3_009104 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N19 compound treatment 0.437 0.00188 0.09 0.443 0.00362 0.22 0.2175 0.9223 3030085 ChemDiv3_009105 Cn1c2ccccc2c3c(cn(C4CCCC4)c(=O)c13)C(=O)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N20 compound treatment 0.441 0.00588 0.28 0.442 0.00262 0.16 0.3098 0.9633 3030086 ChemDiv3_009106 CCc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N21 compound treatment 0.467 0.0319 1.52 0.473 0.0336 2.02 2.506 0.99 3122787 ChemDiv3_009107 COc1ccc(cc1)c2nc(SCC(=O)NC3CCCC3)c([nH]2)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N22 compound treatment 0.44 0.00488 0.23 0.436 -0.00338 -0.2 0.0206 0.0668 3030087 ChemDiv3_009108 Clc1ccc(cc1)n2ncc3c(=O)[nH]c(SCC=C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N23 mock treatment 0.433 -0.00212 -0.1 0.437 -0.00238 -0.14 -0.1727 -0.9857 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 N24 mock treatment 0.43 -0.00512 -0.24 0.447 0.00762 0.46 0.1519 0.292 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O01 compound treatment 0.471 0.0359 1.71 0.47 0.0306 1.84 2.5131 0.9993 1333689 ChemDiv3_009109 N(c1ccccc1)c2nc3ccccc3n4cnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O02 compound treatment 0.454 0.0189 0.9 0.457 0.0176 1.06 1.3866 0.9966 3030088 ChemDiv3_009110 O=c1oc2ccccc2c(NCc3ccc4OCOc4c3)c1CN5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O03 compound treatment 0.461 0.0259 1.23 0.461 0.0216 1.3 1.7929 0.9996 3122788 ChemDiv3_009111 Cc1cc(C)n(n1)c2nc3ccccc3nc2Nc4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O04 compound treatment 0.443 0.00788 0.38 0.449 0.00962 0.58 0.6752 0.9779 3122789 ChemDiv3_009112 CCOC(=O)N1CCN(Cc2nnc(o2)c3ccc4OCOc4c3)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O05 compound treatment 0.437 0.00188 0.09 0.44 6.25E-4 0.04 0.0898 0.9261 3030089 ChemDiv3_009113 CCOC(=O)C1CCN(CC1)C(=O)CCc2nc3ccccc3[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O06 compound treatment 0.442 0.00688 0.33 0.454 0.0146 0.88 0.8544 0.9093 3122790 ChemDiv3_009114 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O07 compound treatment 0.442 0.00688 0.33 0.431 -0.00838 -0.5 -0.1248 -0.2076 3030090 ChemDiv3_009115 CCc1nc2nc(C)cc(O)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O08 compound treatment 0.478 0.0429 2.04 0.493 0.0536 3.23 3.7283 0.9757 3122791 ChemDiv3_009116 COc1ccc2nc3sc(cc3cc2c1)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O09 compound treatment 0.443 0.00788 0.38 0.442 0.00262 0.16 0.3772 0.9261 3030091 ChemDiv3_009117 Cc1c(Cl)cccc1NC(=O)C2NC(=O)CC2c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O10 compound treatment 0.48 0.0449 2.14 0.477 0.0376 2.27 3.1145 0.9996 3122792 ChemDiv3_009118 CC(NC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O11 compound treatment 0.436 8.75E-4 0.04 0.436 -0.00338 -0.2 -0.1142 -0.5505 3030092 ChemDiv3_009119 CNC(=O)Cc1nnc(o1)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O12 compound treatment 0.481 0.0459 2.19 0.474 0.0346 2.08 3.0205 0.9997 3122793 ChemDiv3_009120 CCCC1=Nc2cc(ccc2Sc3ccccc13)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O13 compound treatment 0.484 0.0489 2.33 0.466 0.0266 1.6 2.781 0.9834 3122794 ChemDiv3_009121 O=C(NCc1ccc2OCOc2c1)c3nnc(o3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O14 compound treatment 0.443 0.00788 0.38 0.443 0.00362 0.22 0.4198 0.9667 3030093 ChemDiv3_009122 Clc1ccc(CN2CCN(CC(=O)NCC3COc4ccccc4O3)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O15 compound treatment 0.437 0.00188 0.09 0.439 -3.75E-4 -0.02 0.0472 0.5124 3122970 ChemDiv3_009123 O=S(=O)(Cc1nnn[nH]1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O16 compound treatment 0.479 0.0439 2.09 0.463 0.0236 1.42 2.4848 0.9824 3122971 ChemDiv3_009124 O=C(NCc1ccco1)/C=C/2\Sc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O17 compound treatment 0.441 0.00588 0.28 0.438 -0.00138 -0.08 0.1395 0.4776 3030094 ChemDiv3_009125 CCCNc1nc2ccccc2n3c(C)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O18 compound treatment 0.511 0.0759 3.62 0.514 0.0746 4.49 5.7347 0.9942 3122972 ChemDiv3_009126 COC(CNC(=O)c1ccc(/C=C/2\Oc3ccccc3N(Cc4cccc(F)c4)C2=O)cc1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O19 compound treatment 0.436 8.75E-4 0.04 0.436 -0.00338 -0.2 -0.1142 -0.5505 3030095 ChemDiv3_009127 Cc1nnn(n1)C2(CC3CC4CC(C3)(C2)C(=O)Nc5cccc(C)c5)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O20 compound treatment 0.529 0.0939 4.48 0.551 0.112 6.72 7.9167 0.9805 3122973 ChemDiv3_009128 CN1C(=O)/C(=C\c2ccccc2)/Sc3ccc(cc13)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O21 compound treatment 0.419 -0.0161 -0.77 0.429 -0.0104 -0.62 -0.9852 -0.9947 3030096 ChemDiv3_009129 C(Sc1nc2ccccc2n3cnnc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O22 compound treatment 0.454 0.0189 0.9 0.453 0.0136 0.82 1.2163 0.9989 3122974 ChemDiv3_009130 COc1ccc(/C=C/2\Sc3ccc(cc3N(C)C2=O)C(=O)N4CCOCC4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O23 mock treatment 0.431 -0.00412 -0.2 0.44 6.25E-4 0.04 -0.1124 -0.5616 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 O24 mock treatment 0.435 -1.25E-4 -0.01 0.45 0.0106 0.64 0.4481 0.7005 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P01 compound treatment 0.493 0.0579 2.76 0.496 0.0566 3.41 4.3616 0.9945 3122975 ChemDiv3_009131 CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)/Sc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P02 compound treatment 0.443 0.00788 0.38 0.444 0.00462 0.28 0.4624 0.9892 3030097 ChemDiv3_009132 CCC(C(=O)Nc1cc(C)ccc1C)n2nnc(C(=O)O)c2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P03 compound treatment 0.473 0.0379 1.81 0.455 0.0156 0.94 1.9419 0.9538 3122976 ChemDiv3_009133 Cc1ccccc1C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P04 compound treatment 0.438 0.00288 0.14 0.44 6.25E-4 0.04 0.1235 0.8691 3030098 ChemDiv3_009134 CC(C)CCNC(=S)Nc1ccc2nc(cc(C)c2c1)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P05 compound treatment 0.453 0.0179 0.85 0.454 0.0146 0.88 1.2252 0.9999 3122977 ChemDiv3_009135 CCc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P06 compound treatment 0.449 0.0139 0.66 0.442 0.00262 0.16 0.5795 0.8521 3122978 ChemDiv3_009136 COc1cc(/C=C\C(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P07 compound treatment 0.47 0.0349 1.66 0.46 0.0206 1.24 2.0537 0.9897 3030099 ChemDiv3_009137 CCn1/c(=N/C(=O)CSCC(=O)NC2CCCCC2)/sc3cc(ccc13)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P08 compound treatment 0.431 -0.00412 -0.2 0.436 -0.00338 -0.2 -0.2827 -0.9999 3122979 ChemDiv3_009138 CCOC(=O)c1ccc2ncc3c(nn(c4ccccc4)c3c2c1)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P09 compound treatment 0.453 0.0179 0.85 0.446 0.00662 0.4 0.8846 0.9402 3030100 ChemDiv3_009139 Cc1n[nH]c(C)c1S(=O)(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P10 compound treatment 0.427 -0.00812 -0.39 0.433 -0.00638 -0.38 -0.5453 -1.0 3122980 ChemDiv3_009140 CSc1ccc(Cn2cccc2C3=NC(CO3)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P11 compound treatment 0.437 0.00188 0.09 0.444 0.00462 0.28 0.2601 0.8894 3030101 ChemDiv3_009141 COc1ccc(N(C)S(=O)(=O)c2c(C)noc2C)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P12 compound treatment 0.48 0.0449 2.14 0.479 0.0396 2.39 3.1997 0.9985 3122981 ChemDiv3_009142 CCc1ccc(/C=C/C2=CC(C)(C)NC(=S)N2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P13 compound treatment 0.475 0.0399 1.9 0.474 0.0346 2.08 2.8182 0.9989 3030102 ChemDiv3_009143 COc1ccc(cc1)c2nc3ncccn3c2Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P14 compound treatment 0.44 0.00488 0.23 0.44 6.25E-4 0.04 0.1909 0.811 3122982 ChemDiv3_009144 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)NC3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P15 compound treatment 0.475 0.0399 1.9 0.468 0.0286 1.72 2.5628 0.9988 3122983 ChemDiv3_009145 CS(=O)(=O)Nc1cccc(c1)C2=NN(C(C2)c3ccccc3F)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P16 compound treatment 0.439 0.00388 0.18 0.439 -3.75E-4 -0.02 0.1147 0.6161 3030103 ChemDiv3_009146 O=C(C1CC1)N2CCc3cc(ccc23)S(=O)(=O)NCCCN4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P17 compound treatment 0.452 0.0169 0.8 0.448 0.00862 0.52 0.936 0.9776 3122984 ChemDiv3_009147 O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P18 compound treatment 0.437 0.00188 0.09 0.433 -0.00638 -0.38 -0.2082 -0.5283 3030104 ChemDiv3_009148 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)N(C)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P19 compound treatment 0.455 0.0199 0.95 0.455 0.0156 0.94 1.3352 1.0 3122985 ChemDiv3_009149 COc1ccc(cc1)N(C)C(=O)c2cn(C3CCCC3)c(=O)c4n(C)c5ccccc5c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P20 compound treatment 0.435 -1.25E-4 -0.01 0.43 -0.00938 -0.56 -0.4034 -0.7145 3122986 ChemDiv3_009150 Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCN4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P21 compound treatment 0.467 0.0319 1.52 0.472 0.0326 1.96 2.4634 0.9919 3030105 ChemDiv3_009151 O=C(CSc1nc([nH]c1c2ccccc2)c3ccccc3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P22 compound treatment 0.472 0.0369 1.76 0.474 0.0346 2.08 2.7171 0.9964 3122987 ChemDiv3_009152 CCOC(=O)C(C)(C)Sc1nc2n(ncc2c(=O)[nH]1)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P23 mock treatment 0.449 0.0139 0.66 0.443 0.00362 0.22 0.622 0.8931 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2026 P24 mock treatment 0.433 -0.00212 -0.1 0.445 0.00562 0.34 0.1679 0.4748 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A01 compound treatment 0.437 -0.00112 -0.05 0.445 0.00803 0.48 0.304 0.6249 3030106 ChemDiv3_009153 Cc1ccc(cc1)n2ncc3c(=O)[nH]c(SCc4ccccc4)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A02 compound treatment 0.441 0.00288 0.14 0.445 0.00803 0.48 0.4388 0.8731 3122988 ChemDiv3_009154 COc1ccc(Nc2cc(C(=O)NC3CCCCC3)c4ccccc4n2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A03 compound treatment 0.483 0.0449 2.14 0.49 0.053 3.19 3.7704 0.981 3122989 ChemDiv3_009155 CCS(=O)(=O)Nc1ccc(cc1)C2=NN(C(C2)c3ccccc3)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A04 compound treatment 0.491 0.0529 2.52 0.512 0.075 4.52 4.9767 0.962 3030107 ChemDiv3_009156 Cc1ccccc1Nc2cc(C(=O)NCc3ccccc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A05 compound treatment 0.43 -0.00812 -0.39 0.442 0.00503 0.3 -0.0597 -0.1214 3122990 ChemDiv3_009157 Cc1ccc(CCNC(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A06 compound treatment 0.436 -0.00212 -0.1 0.432 -0.00497 -0.3 -0.2832 -0.8965 3030108 ChemDiv3_009158 CCc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A07 compound treatment 0.434 -0.00412 -0.2 0.427 -0.00997 -0.6 -0.5635 -0.8921 3122991 ChemDiv3_009159 COc1ccc2nc3oc(cc3cc2c1)C(=O)N4CCN(CC4)c5cccc(c5)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A08 compound treatment 0.461 0.0229 1.09 0.485 0.048 2.89 2.816 0.9111 3030109 ChemDiv3_009160 CCC(C)N(Cc1cn(CC)c2ccccc12)C(=O)Nc3ccc(Cl)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A09 compound treatment 0.426 -0.0121 -0.58 0.432 -0.00497 -0.3 -0.6202 -0.953 3122992 ChemDiv3_009161 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A10 compound treatment 0.428 -0.0101 -0.48 0.436 -9.69E-4 -0.06 -0.3825 -0.7868 3122993 ChemDiv3_009162 O=C(NC1CCCCCC1)c2cccc(c2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A11 compound treatment 0.455 0.0169 0.8 0.451 0.014 0.84 1.1662 0.9997 3030110 ChemDiv3_009163 CCc1cccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A12 compound treatment 0.441 0.00288 0.14 0.445 0.00803 0.48 0.4388 0.8731 3122994 ChemDiv3_009164 CCOC(=O)N1CCC(CC1)N2CC3(OC4C=C3)C(C4C(=O)Nc5ccc(OCC)cc5)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A13 compound treatment 0.745 0.307 14.63 0.72 0.283 17.04 22.394 0.9971 3030111 ChemDiv3_009165 CC(C)c1ccc(cc1)n2cccc2/C=C\3/C(=N)N4C=CSC4=NC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A14 compound treatment 0.428 -0.0101 -0.48 0.436 -9.69E-4 -0.06 -0.3825 -0.7868 3122995 ChemDiv3_009166 CCOC(=O)N1CCC(CC1)c2cc(O)n3nc(cc3n2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A15 compound treatment 0.425 -0.0131 -0.63 0.434 -0.00297 -0.18 -0.5688 -0.8741 3122996 ChemDiv3_009167 CCCNC(=O)c1oc(=O)c2ccccc2c1c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A16 compound treatment 0.47 0.0319 1.52 0.487 0.05 3.01 3.2045 0.9498 3030112 ChemDiv3_009168 Clc1ccccc1CN2C(Nc3ccc(cc3)S(=O)(=O)N4CCOCC4)c5ccccc5C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A17 compound treatment 0.442 0.00388 0.18 0.438 0.00103 0.06 0.1745 0.8956 3123175 ChemDiv3_009169 COc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A18 compound treatment 0.44 0.00188 0.09 0.443 0.00603 0.36 0.32 0.8556 3123176 ChemDiv3_009170 COC(=O)c1cc(NC2N(C(=O)c3ccccc23)c4ccccn4)cc(c1)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A19 compound treatment 0.425 -0.0131 -0.63 0.432 -0.00497 -0.3 -0.654 -0.943 3030113 ChemDiv3_009171 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NCCN3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A20 compound treatment 0.428 -0.0101 -0.48 0.429 -0.00797 -0.48 -0.6806 -1.0 3123177 ChemDiv3_009172 CCOC(=O)CCc1c(C)nc2n(nc(C)c2c1C)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A21 compound treatment 0.392 -0.0461 -2.2 0.396 -0.041 -2.47 -3.299 -0.9984 3123178 ChemDiv3_009173 Fc1ccccc1NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A22 compound treatment 0.431 -0.00712 -0.34 0.44 0.00303 0.18 -0.1111 -0.2882 3030114 ChemDiv3_009174 COc1ccc(c2nn(CCC(=O)O)c3nc(C)cc(C)c23)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A23 mock treatment 0.432 -0.00612 -0.29 0.434 -0.00297 -0.18 -0.3329 -0.9723 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 A24 mock treatment 0.426 -0.0121 -0.58 0.429 -0.00797 -0.48 -0.748 -0.9957 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B01 compound treatment 0.441 0.00288 0.14 0.458 0.021 1.27 0.9923 0.7791 3030115 ChemDiv3_009175 CC(C)C1N2C(OC1=O)c3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B02 compound treatment 0.464 0.0259 1.23 0.461 0.024 1.45 1.8953 0.9968 3030173 ChemDiv3_009176 O=C(NCc1cccs1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B03 compound treatment 0.461 0.0229 1.09 0.454 0.017 1.03 1.4962 0.9995 3030174 ChemDiv3_009177 COc1cc2[nH]c(=S)nc(NC3CCCCCC3)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B04 compound treatment 0.455 0.0169 0.8 0.446 0.00903 0.54 0.9533 0.9818 3030175 ChemDiv3_009178 COc1ccc(cc1)n2nc(C(=O)NCc3cc(OC)ccc3OC)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B05 compound treatment 0.478 0.0399 1.9 0.471 0.034 2.05 2.793 0.9993 3030176 ChemDiv3_009179 O=C(Cn1ncc2c(=O)oc3ccccc3c12)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B06 compound treatment 0.446 0.00788 0.38 0.442 0.00503 0.3 0.4797 0.9943 3030177 ChemDiv3_009180 CCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B07 compound treatment 0.452 0.0139 0.66 0.441 0.00403 0.24 0.6393 0.9074 3030178 ChemDiv3_009181 O=C(NCc1cccs1)C2CCCN(C2)S(=O)(=O)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B08 compound treatment 0.455 0.0169 0.8 0.46 0.023 1.39 1.5494 0.9665 3123179 ChemDiv3_009182 COc1ccc(cc1OC)c2nn(C)c3sc(cc23)C(=O)N(CC=C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B09 compound treatment 0.459 0.0209 1.0 0.457 0.02 1.21 1.5565 0.9954 3123180 ChemDiv3_009183 CC1CN(CCN1c2ccc(C)cc2)C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c4c(C)n[nH]c4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B10 compound treatment 0.445 0.00688 0.33 0.454 0.017 1.03 0.9568 0.8888 3030179 ChemDiv3_009184 COc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c3c[nH]cn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B11 compound treatment 0.447 0.00888 0.42 0.457 0.02 1.21 1.152 0.9013 3123181 ChemDiv3_009185 CC(=O)N1CCN=C1SCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B12 compound treatment 0.445 0.00688 0.33 0.448 0.011 0.66 0.7014 0.947 3030180 ChemDiv3_009186 CN(Cc1ccccc1)C(=O)c2cnc3sccn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B13 compound treatment 0.547 0.109 5.19 0.552 0.115 6.93 8.5673 0.9899 3123182 ChemDiv3_009187 Fc1ccccc1CSC2=NCCN2C(=O)C3c4ccccc4Oc5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B14 compound treatment 0.448 0.00988 0.47 0.454 0.017 1.03 1.058 0.9376 3030181 ChemDiv3_009188 Cn1c(=O)cc(SCC(=O)NC2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B15 compound treatment 0.451 0.0129 0.61 0.445 0.00803 0.48 0.7759 0.993 3123183 ChemDiv3_009189 CCCNS(=O)(=O)c1ccc2N(CCCc2c1)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B16 compound treatment 0.452 0.0139 0.66 0.445 0.00803 0.48 0.8096 0.9881 3123184 ChemDiv3_009190 CC(CCc1ccccc1)NC(=O)CSc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B17 compound treatment 0.565 0.127 6.05 0.564 0.127 7.65 9.685 0.9932 3030182 ChemDiv3_009191 CSc1cccc(c1)N2C(=S)NC3C4CCCC42Oc5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B18 compound treatment 0.461 0.0229 1.09 0.466 0.029 1.75 2.0071 0.9742 3123185 ChemDiv3_009192 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B19 compound treatment 0.45 0.0119 0.57 0.452 0.015 0.91 1.0402 0.9745 3123186 ChemDiv3_009193 CCCN1Cc2cccc(C(=O)N3CCN(CC3)c4ccccc4)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B20 compound treatment 0.438 -1.25E-4 -0.01 0.439 0.00203 0.12 0.0823 0.6719 3030183 ChemDiv3_009194 CN(C)C(CNC(=O)Nc1cccc(Cl)c1)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B21 compound treatment 0.453 0.0149 0.71 0.462 0.025 1.51 1.5671 0.9409 3123187 ChemDiv3_009195 O=C(N1CCN(CC1)C(=O)c2cccc3CN(C4CCCCC4)C(=O)c32)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B22 compound treatment 0.436 -0.00212 -0.1 0.443 0.00603 0.36 0.1852 0.4911 3030184 ChemDiv3_009196 Cn1c(=O)n(C)c2nc(CN3CCN(CC3)c4ccccc4)n(Cc5c(F)cccc5Cl)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B23 mock treatment 0.449 0.0109 0.52 0.44 0.00303 0.18 0.4956 0.9018 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 B24 mock treatment 0.445 0.00688 0.33 0.443 0.00603 0.36 0.4885 0.9987 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C01 compound treatment 0.417 -0.0211 -1.01 0.417 -0.02 -1.2 -1.5622 -0.9961 3123188 ChemDiv3_009197 CCOC(=O)N1CCN(CC1)C(=O)CSc2nc3n(ncc3c(=O)[nH]2)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C02 compound treatment 0.437 -0.00112 -0.05 0.44 0.00303 0.18 0.0911 0.4791 3123189 ChemDiv3_009198 CCOC(=O)N1CCN(CC1)C(=O)c2cc(Nc3ccc(OC)cc3OC)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C03 compound treatment 0.424 -0.0141 -0.67 0.431 -0.00597 -0.36 -0.7302 -0.9568 3030185 ChemDiv3_009199 CCS(=O)(=O)Nc1cccc(c1)C2=NN(C(C2)c3ccccc3)S(=O)(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C04 compound treatment 0.433 -0.00512 -0.24 0.427 -0.00997 -0.6 -0.5972 -0.9215 3123190 ChemDiv3_009200 Cc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c4ccccc4n2)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C05 compound treatment 0.428 -0.0101 -0.48 0.425 -0.012 -0.72 -0.8509 -0.981 3030186 ChemDiv3_009201 CC1CCN(CC1)C(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C06 compound treatment 0.495 0.0569 2.71 0.504 0.067 4.04 4.771 0.9813 3123191 ChemDiv3_009202 CCc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C07 compound treatment 0.428 -0.0101 -0.48 0.426 -0.011 -0.66 -0.8083 -0.9881 3123192 ChemDiv3_009203 COc1ccc2nc3oc(cc3cc2c1)C(=O)N4CCC(CC4)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C08 compound treatment 0.483 0.0449 2.14 0.511 0.074 4.46 4.6645 0.9434 3030187 ChemDiv3_009204 CCOc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C09 compound treatment 0.408 -0.0301 -1.44 0.407 -0.03 -1.8 -2.2914 -0.9936 3123193 ChemDiv3_009205 CCCCN(C)C(=O)c1cc2cc3ccc(OC)cc3nc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C10 compound treatment 0.421 -0.0171 -0.82 0.424 -0.013 -0.78 -1.1294 -0.9998 3030188 ChemDiv3_009206 O=C(NCc1ccco1)c2cccc(c2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C11 compound treatment 0.411 -0.0271 -1.29 0.416 -0.021 -1.26 -1.8071 -0.9999 3123194 ChemDiv3_009207 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN4CCN(CC4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C12 compound treatment 0.43 -0.00812 -0.39 0.43 -0.00697 -0.42 -0.5706 -0.9992 3123195 ChemDiv3_009208 O=C(NC1CCCCCC1)C2C3OC4(CN(Cc5cccnc5)C(=O)C24)C=C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C13 compound treatment 0.48 0.0419 2.0 0.493 0.056 3.37 3.797 0.9686 3030189 ChemDiv3_009209 CCc1cccc(c1)n2c(nc3n(ncc3c2=O)c4ccccc4Cl)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C14 compound treatment 0.423 -0.0151 -0.72 0.428 -0.00897 -0.54 -0.8917 -0.9899 3123196 ChemDiv3_009210 CCOC(=O)N1CCC(CC1)N2C(O)c3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C15 compound treatment 0.422 -0.0161 -0.77 0.428 -0.00897 -0.54 -0.9254 -0.9851 3030190 ChemDiv3_009211 CC(C)CN(CC(C)C)C(=O)c1oc(=O)c2ccccc2c1c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C16 compound treatment 0.432 -0.00612 -0.29 0.428 -0.00897 -0.54 -0.5883 -0.9583 3123197 ChemDiv3_009212 CCOC(=O)N1CCC(CC1)/N=C/c2ccc(OC(C)C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C17 compound treatment 0.439 8.75E-4 0.04 0.441 0.00403 0.24 0.2011 0.8167 3123198 ChemDiv3_009213 CC1CCC(CC1)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C18 compound treatment 0.453 0.0149 0.71 0.458 0.021 1.27 1.3968 0.9624 3030191 ChemDiv3_009214 O=C1N(C(Nc2ccc3OCCOc3c2)c4ccccc14)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C19 compound treatment 0.416 -0.0221 -1.05 0.419 -0.018 -1.08 -1.5108 -0.9999 3123199 ChemDiv3_009215 CCOC(=O)N1CCN(CC1)C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(=O)C)cc3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C20 compound treatment 0.497 0.0589 2.81 0.512 0.075 4.52 5.179 0.9738 3030192 ChemDiv3_009216 Cc1ccccc1N2C(CNc3ccccc3)C(Oc4ccc(Cl)cc4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C21 compound treatment 0.375 -0.0631 -3.01 0.373 -0.064 -3.85 -4.8512 -0.9925 3123200 ChemDiv3_009217 CN(Cc1ccco1)C(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C22 compound treatment 0.424 -0.0141 -0.67 0.422 -0.015 -0.9 -1.1134 -0.9897 3030193 ChemDiv3_009218 CC(=O)Nc1cc(C)nn1C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C23 mock treatment 0.418 -0.0201 -0.96 0.416 -0.021 -1.26 -1.5711 -0.9908 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 C24 mock treatment 0.422 -0.0161 -0.77 0.42 -0.017 -1.02 -1.266 -0.9902 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D01 compound treatment 0.441 0.00288 0.14 0.444 0.00703 0.42 0.3963 0.8905 3030194 ChemDiv3_009219 CNc1ncc(Br)nc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D02 compound treatment 0.436 -0.00212 -0.1 0.439 0.00203 0.12 0.0149 0.0935 3123201 ChemDiv3_009220 Clc1ccc(CCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D03 compound treatment 0.435 -0.00312 -0.15 0.452 0.015 0.91 0.5346 0.5829 3123379 ChemDiv3_009221 COc1ccc(Nc2nc(=S)[nH]c3cc(OC)c(OC)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D04 compound treatment 0.431 -0.00712 -0.34 0.446 0.00903 0.54 0.1443 0.2251 3030195 ChemDiv3_009222 Cc1ccc(cc1)n2nc(C(=O)N3CCCC3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D05 compound treatment 0.44 0.00188 0.09 0.446 0.00903 0.54 0.4477 0.8124 3123380 ChemDiv3_009223 CCc1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D06 compound treatment 0.497 0.0589 2.81 0.506 0.069 4.16 4.9235 0.9817 3123381 ChemDiv3_009224 Cc1[nH]c2ccc(C)cc2c1CCN(Cc3ccco3)C(=S)Nc4cccc(C)c4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D07 compound treatment 0.449 0.0109 0.52 0.442 0.00503 0.3 0.5808 0.9673 3030196 ChemDiv3_009225 Cc1n[nH]c(C)c1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D08 compound treatment 0.456 0.0179 0.85 0.459 0.022 1.33 1.5405 0.9771 3123382 ChemDiv3_009226 COc1ccc(cc1OC)c2nn(C)c3sc(cc23)C(=O)NCC4(CCCC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D09 compound treatment 0.441 0.00288 0.14 0.434 -0.00297 -0.18 -0.0295 -0.1309 3030197 ChemDiv3_009227 Cc1nn(C)c(C)c1S(=O)(=O)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D10 compound treatment 0.433 -0.00512 -0.24 0.436 -9.69E-4 -0.06 -0.214 -0.852 3123383 ChemDiv3_009228 CCOc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c3c[nH]cn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D11 compound treatment 0.44 0.00188 0.09 0.447 0.01 0.6 0.4903 0.803 3030198 ChemDiv3_009229 O=C(C1CC1)N2CCN=C2SCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D12 compound treatment 0.437 -0.00112 -0.05 0.447 0.01 0.6 0.3892 0.6418 3123384 ChemDiv3_009230 CCN(C(=O)c1cnc2sccn2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D13 compound treatment 0.444 0.00588 0.28 0.434 -0.00297 -0.18 0.0716 0.2156 3030199 ChemDiv3_009231 CC1CCN(CC1)C(c2sc3nc(C)nn3c2O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D14 compound treatment 0.427 -0.0111 -0.53 0.445 0.00803 0.48 -0.0331 -0.0461 3123385 ChemDiv3_009232 CN(C1CCCCC1)C(=O)CSc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D15 compound treatment 0.43 -0.00812 -0.39 0.433 -0.00397 -0.24 -0.4428 -0.9731 3123386 ChemDiv3_009233 CCC(=O)N1CCCc2cc(ccc12)S(=O)(=O)N3CCN(CC3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D16 compound treatment 0.442 0.00388 0.18 0.446 0.00903 0.54 0.5151 0.897 3030200 ChemDiv3_009234 Cn1c(=O)cc(SCC(=O)NCCCN2CCN(CC2)c3ccccc3F)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D17 compound treatment 0.452 0.0139 0.66 0.451 0.014 0.84 1.0651 0.9927 3123387 ChemDiv3_009235 COCCN1C(=S)NC2C3CCCC31Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D18 compound treatment 0.468 0.0299 1.42 0.47 0.033 1.99 2.4133 0.9866 3123388 ChemDiv3_009236 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc3ccc(Br)cc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D19 compound treatment 0.438 -1.25E-4 -0.01 0.446 0.00903 0.54 0.3803 0.6993 3030201 ChemDiv3_009237 CCCN1Cc2cccc(C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCCCC4)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D20 compound treatment 0.445 0.00688 0.33 0.436 -9.69E-4 -0.06 0.1905 0.5723 3123389 ChemDiv3_009238 S=C(NCC(N1CCOCC1)c2cccnc2)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D21 compound treatment 0.448 0.00988 0.47 0.463 0.026 1.57 1.4411 0.8806 3123390 ChemDiv3_009239 CC(CCc1ccco1)NC(=O)c2cccc3CN(C4CCCCC4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D22 compound treatment 0.434 -0.00412 -0.2 0.435 -0.00197 -0.12 -0.2229 -0.9706 3030202 ChemDiv3_009240 Cn1c(=O)n(C)c2nc(CN3CCN(CC3)C(=O)c4ccco4)n(Cc5ccccc5F)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D23 mock treatment 0.44 0.00188 0.09 0.442 0.00503 0.3 0.2774 0.8783 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 D24 mock treatment 0.431 -0.00712 -0.34 0.436 -9.69E-4 -0.06 -0.2814 -0.8166 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E01 compound treatment 0.441 0.00288 0.14 0.44 0.00303 0.18 0.226 0.99 3123391 ChemDiv3_009241 Cc1ccc(cc1)n2ncc3c(=O)[nH]c(SCC(=O)N4CCCc5ccccc45)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E02 compound treatment 0.547 0.109 5.19 0.555 0.118 7.11 8.6951 0.9881 3030203 ChemDiv3_009242 COc1ccc(Nc2cc(C(=O)N3CCc4ccccc4C3)c5ccccc5n2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E03 compound treatment 0.461 0.0229 1.09 0.449 0.012 0.72 1.2833 0.9803 3123392 ChemDiv3_009243 OC(=O)c1cccn2c(=O)c3c4CCCCc4sc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E04 compound treatment 0.521 0.0829 3.95 0.522 0.085 5.12 6.4137 0.9918 3123393 ChemDiv3_009244 Cc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)c4ccccc4n2)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E05 compound treatment 0.451 0.0129 0.61 0.461 0.024 1.45 1.4571 0.9271 3030204 ChemDiv3_009245 CC1CCCCN1CCNC(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E06 compound treatment 0.5 0.0619 2.95 0.515 0.078 4.7 5.4078 0.9748 3123394 ChemDiv3_009246 CCOc1ccccc1NC(=S)N(Cc2c[nH]c3ccccc23)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E07 compound treatment 0.455 0.0169 0.8 0.451 0.014 0.84 1.1662 0.9997 3123395 ChemDiv3_009247 CCOC(=O)N1CCC(CC1)NC(=O)c2cc3cc4cc(OC)ccc4nc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E08 compound treatment 0.559 0.121 5.76 0.537 0.1 6.02 8.3332 0.9998 3030205 ChemDiv3_009248 CCC(C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E09 compound treatment 0.439 8.75E-4 0.04 0.437 3.12E-5 0.0 0.0308 0.7383 3123396 ChemDiv3_009249 COc1ccc2cc3cc(oc3nc2c1)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E10 compound treatment 0.45 0.0119 0.57 0.441 0.00403 0.24 0.5719 0.9285 3030206 ChemDiv3_009250 COC(CNC(=O)c1cccc(c1)N2CCCC2=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E11 compound treatment 0.457 0.0189 0.9 0.463 0.026 1.57 1.7445 0.9653 3030264 ChemDiv3_009251 Clc1ccc2cc3cc(oc3nc2c1)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E12 compound treatment 0.442 0.00388 0.18 0.449 0.012 0.72 0.6428 0.8599 3030265 ChemDiv3_009252 CCOC(=O)CN1CC2(OC3C=C2)C(C3C(=O)NCc4ccc(OC)cc4)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E13 compound treatment 0.448 0.00988 0.47 0.439 0.00203 0.12 0.4193 0.8622 3030266 ChemDiv3_009253 COc1cccc(c1)n2c(C)nc3n(ncc3c2=O)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E14 compound treatment 0.43 -0.00812 -0.39 0.439 0.00203 0.12 -0.1874 -0.4614 1033635 ChemDiv3_009254 Clc1ccc(cc1)N2C(=O)CCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E15 compound treatment 0.442 0.00388 0.18 0.44 0.00303 0.18 0.2597 1.0 3030267 ChemDiv3_009255 CCCCN(C)C(=O)c1oc(=O)c2ccccc2c1c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E16 compound treatment 0.449 0.0109 0.52 0.452 0.015 0.91 1.0065 0.965 3030268 ChemDiv3_009256 CCOc1ccc(NC(=O)/C=C/C(=O)NCc2ccc(OC)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E17 compound treatment 0.445 0.00688 0.33 0.45 0.013 0.78 0.7865 0.925 3030269 ChemDiv3_009257 Cc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NCCN3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E18 compound treatment 0.452 0.0139 0.66 0.453 0.016 0.97 1.1502 0.983 3123397 ChemDiv3_009258 CCOc1ccc(/N=C/C=N/c2ccc(OCC)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E19 compound treatment 0.369 -0.0691 -3.3 0.377 -0.06 -3.61 -4.8832 -0.999 3123398 ChemDiv3_009259 COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E20 compound treatment 0.547 0.109 5.19 0.54 0.103 6.2 8.0564 0.9961 1463342 ChemDiv3_009260 Cc1cc(C)c2c(=O)n([nH]c2n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E21 compound treatment 0.424 -0.0141 -0.67 0.444 0.00703 0.42 -0.1768 -0.2222 3123399 ChemDiv3_009261 Cc1ccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc4ccc(C)cc4C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E22 compound treatment 0.446 0.00788 0.38 0.445 0.00803 0.48 0.6074 0.9922 3030270 ChemDiv3_009262 CCOC(=O)Cc1nc(OCC(=O)c2ccc(F)cc2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E23 mock treatment 0.432 -0.00612 -0.29 0.432 -0.00497 -0.3 -0.418 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 E24 mock treatment 0.439 8.75E-4 0.04 0.449 0.012 0.72 0.5417 0.7466 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F01 compound treatment 0.464 0.0259 1.23 0.46 0.023 1.39 1.8527 0.9983 3123400 ChemDiv3_009263 CCOc1ccc(cc1)N2C(Nc3ccccc3OC)c4ccccc4C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F02 compound treatment 0.445 0.00688 0.33 0.438 0.00103 0.06 0.2756 0.8264 3030271 ChemDiv3_009264 O=C(NCC1(CCCC1)c2ccccc2)c3cc4c(=O)[nH]c5ccccc5c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F03 compound treatment 0.45 0.0119 0.57 0.455 0.018 1.09 1.168 0.9539 3123401 ChemDiv3_009265 CCOc1ccc(NC(=O)c2ccc(cc2)N3C(=O)NC4CC3(C)Oc5ccccc45)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F04 compound treatment 0.443 0.00488 0.23 0.452 0.015 0.91 0.8043 0.8608 3123402 ChemDiv3_009266 CCc1ccc(NC(=O)c2nn(c3ccc(C)cc3)c(=O)c4n(C)c5ccccc5c24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F05 compound treatment 0.453 0.0149 0.71 0.45 0.013 0.78 1.0562 0.9987 3030272 ChemDiv3_009267 O=C(Cn1ncc2c(=O)oc3ccccc3c12)N4CCN(CC4)C5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F06 compound treatment 0.446 0.00788 0.38 0.456 0.019 1.15 1.0757 0.8921 3123403 ChemDiv3_009268 CC(C)CC(NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C)C(=O)NCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F07 compound treatment 0.455 0.0169 0.8 0.456 0.019 1.15 1.3791 0.985 3030273 ChemDiv3_009269 Cc1nn(C)c(C)c1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F08 compound treatment 0.451 0.0129 0.61 0.449 0.012 0.72 0.9462 0.9966 3123404 ChemDiv3_009270 FC(F)(F)c1cc(NS(=O)(=O)c2c[nH]cn2)ccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F09 compound treatment 0.437 -0.00112 -0.05 0.457 0.02 1.21 0.8149 0.675 3030274 ChemDiv3_009271 CCC(=O)N1CCN=C1SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F10 compound treatment 0.451 0.0129 0.61 0.45 0.013 0.78 0.9888 0.9926 3123405 ChemDiv3_009272 O=C(C1CCN(CC1)S(=O)(=O)c2c[nH]cn2)N(CCc3ccccc3)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F11 compound treatment 0.444 0.00588 0.28 0.456 0.019 1.15 1.0083 0.8548 3030275 ChemDiv3_009273 O=C(N1CCN=C1SCc2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F12 compound treatment 0.449 0.0109 0.52 0.452 0.015 0.91 1.0065 0.965 3120339 ChemDiv3_009274 Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F13 compound treatment 0.459 0.0209 1.0 0.45 0.013 0.78 1.2584 0.9931 3030276 ChemDiv3_009275 CC1CCN(CCNC(=O)C2CCCN(C2)S(=O)(=O)c3cccc4nsnc34)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F14 compound treatment 0.444 0.00588 0.28 0.452 0.015 0.91 0.838 0.8845 3120340 ChemDiv3_009276 Cn1c(=O)cc(SCC(=O)N2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F15 compound treatment 0.448 0.00988 0.47 0.451 0.014 0.84 0.9302 0.9619 3120341 ChemDiv3_009277 COc1ccc(CCNC(=O)CSc2nc3cc(OC)c(OC)cc3c4nc(C)nn24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F16 compound treatment 0.494 0.0559 2.66 0.493 0.056 3.37 4.2689 0.9932 3030277 ChemDiv3_009278 Cn1c(=O)cc(SCC(=O)Nc2cccnc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F17 compound treatment 0.461 0.0229 1.09 0.466 0.029 1.75 2.0071 0.9742 3120342 ChemDiv3_009279 CCN1C(=S)NC2C3CCCC31Oc4ccc(C)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F18 compound treatment 0.472 0.0339 1.61 0.481 0.044 2.65 3.0165 0.9717 3120343 ChemDiv3_009280 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc3ccc(OC(F)(F)F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F19 compound treatment 0.455 0.0169 0.8 0.455 0.018 1.09 1.3365 0.9891 3030278 ChemDiv3_009281 COCCN1Cc2cccc(C(=O)NC3CCCC3)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F20 compound treatment 0.451 0.0129 0.61 0.45 0.013 0.78 0.9888 0.9926 3120344 ChemDiv3_009282 S=C(NCCc1ccccc1)NCC(N2CCOCC2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F21 compound treatment 0.479 0.0409 1.95 0.49 0.053 3.19 3.6356 0.9719 3030279 ChemDiv3_009283 COc1ccc(CNC(=O)c2cccc3CN(C(=O)c32)c4ccc(OC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F22 compound treatment 0.438 -1.25E-4 -0.01 0.445 0.00803 0.48 0.3377 0.6983 3120345 ChemDiv3_009284 CC1CC(C)CN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CC(=O)N)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F23 mock treatment 0.445 0.00688 0.33 0.441 0.00403 0.24 0.4034 0.9891 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 F24 mock treatment 0.438 -1.25E-4 -0.01 0.446 0.00903 0.54 0.3803 0.6993 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G01 compound treatment 0.445 0.00688 0.33 0.436 -9.69E-4 -0.06 0.1905 0.5723 3030280 ChemDiv3_009285 Cc1ccc(cc1)n2ncc3c(=O)[nH]c(SCC(=O)Nc4ccccc4C(F)(F)F)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G02 compound treatment 0.447 0.00888 0.42 0.455 0.018 1.09 1.0668 0.9156 3120346 ChemDiv3_009286 CCc1ccccc1Nc2cc(C(=O)NCc3cccnc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G03 compound treatment 0.44 0.00188 0.09 0.442 0.00503 0.3 0.2774 0.8783 3120347 ChemDiv3_009287 CN(Cc1ccccc1)C(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G04 compound treatment 0.534 0.0959 4.57 0.521 0.084 5.06 6.8093 0.9987 3030281 ChemDiv3_009288 Cc1cc(C)cc(Nc2cc(C(=O)NC3CCCC3)c4ccccc4n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G05 compound treatment 0.447 0.00888 0.42 0.45 0.013 0.78 0.854 0.958 3120348 ChemDiv3_009289 COc1ccc(Cl)cc1NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G06 compound treatment 0.498 0.0599 2.85 0.524 0.087 5.24 5.7236 0.9592 3120349 ChemDiv3_009290 CC(C)N(Cc1c[nH]c2ccccc12)C(=S)Nc3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G07 compound treatment 0.458 0.0199 0.95 0.458 0.021 1.27 1.5653 0.9898 3030282 ChemDiv3_009291 COc1ccc2nc3oc(cc3cc2c1)C(=O)NC4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G08 compound treatment 0.445 0.00688 0.33 0.442 0.00503 0.3 0.4459 0.9992 3120350 ChemDiv3_009292 O=C(NCc1ccccn1)c2ccc(cc2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G09 compound treatment 0.437 -0.00112 -0.05 0.432 -0.00497 -0.3 -0.2495 -0.8208 3030283 ChemDiv3_009293 CCOC(=O)C1CCCN(C1)C(=O)c2cc3cc4ccc(OC)cc4nc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G10 compound treatment 0.439 8.75E-4 0.04 0.451 0.014 0.84 0.6269 0.7411 3120351 ChemDiv3_009294 O=C(NCCc1ccccc1)c2cccc(c2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G11 compound treatment 0.44 0.00188 0.09 0.438 0.00103 0.06 0.1071 0.9842 3120352 ChemDiv3_009295 Clc1cccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G12 compound treatment 0.444 0.00588 0.28 0.453 0.016 0.97 0.8806 0.8761 3030284 ChemDiv3_009296 CCOC(=O)CN1CC2(OC3C=C2)C(C3C(=O)Nc4ccc(CC)cc4)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G13 compound treatment 0.439 8.75E-4 0.04 0.436 -9.69E-4 -0.06 -0.0118 -0.1639 3120353 ChemDiv3_009297 Cc1ccc(cc1)n2ncc3c(=O)n(c4ccc(F)c(Cl)c4)c(nc23)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G14 compound treatment 0.36 -0.0781 -3.72 0.364 -0.073 -4.39 -5.74 -0.9966 3120354 ChemDiv3_009298 Oc1cc(nn1c2ccccc2)C3CCN(CC3)C(=S)Nc4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G15 compound treatment 0.507 0.0689 3.28 0.534 0.097 5.84 6.4527 0.9629 3030285 ChemDiv3_009299 CCN(Cc1ccccc1)C(=O)c2oc(=O)c3ccccc3c2c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G16 compound treatment 0.441 0.00288 0.14 0.455 0.018 1.09 0.8646 0.7901 3120355 ChemDiv3_009300 S=C(N1CCOCC1)/C(=C/N2CCOCC2)/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G17 compound treatment 0.449 0.0109 0.52 0.445 0.00803 0.48 0.7085 0.9994 3030286 ChemDiv3_009301 O=C(N1CCN(CC1)c2ccccn2)c3ccc(CNS(=O)(=O)c4ccccc4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G18 compound treatment 0.456 0.0179 0.85 0.454 0.017 1.03 1.3276 0.9958 3120356 ChemDiv3_009302 CCOc1ccc(/N=C/C2C(Oc3ccc(Cl)cc3)C(=O)N2c4ccc(OCC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G19 compound treatment 0.346 -0.0921 -4.39 0.343 -0.094 -5.66 -7.106 -0.9922 3120357 ChemDiv3_009303 CCc1ccccc1NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G20 compound treatment 0.462 0.0239 1.14 0.476 0.039 2.35 2.4665 0.9446 1876301 ChemDiv3_009304 Nc1sc2CCCCc2c1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G21 compound treatment 0.415 -0.0231 -1.1 0.423 -0.014 -0.84 -1.3742 -0.9911 3120358 ChemDiv3_009305 Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC4=CCCCC4)c(=O)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G22 compound treatment 0.437 -0.00112 -0.05 0.433 -0.00397 -0.24 -0.2069 -0.8448 3030287 ChemDiv3_009306 COc1ccccc1c2cc(N)n(CCC#N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G23 mock treatment 0.426 -0.0121 -0.58 0.431 -0.00597 -0.36 -0.6628 -0.9739 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 G24 mock treatment 0.434 -0.00412 -0.2 0.435 -0.00197 -0.12 -0.2229 -0.9706 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H01 compound treatment 0.454 0.0159 0.76 0.448 0.011 0.66 1.0048 0.9979 3030288 ChemDiv3_009307 CCc1ccc(NC2N(C(=O)c3ccccc23)c4ccccc4C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H02 compound treatment 0.431 -0.00712 -0.34 0.435 -0.00197 -0.12 -0.324 -0.9006 3120359 ChemDiv3_009308 O=C(Nc1cccnc1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H03 compound treatment 0.437 -0.00112 -0.05 0.436 -9.69E-4 -0.06 -0.0792 -0.9991 3120360 ChemDiv3_009309 CC1(CC2NC(=O)N1c3ccc(cc3)C(=O)NCc4ccccc4)Oc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H04 compound treatment 0.438 -1.25E-4 -0.01 0.437 3.12E-5 0.0 -0.0029 -0.4614 3030289 ChemDiv3_009310 Cc1ccc(cc1)n2nc(C(=O)NCCc3ccc(Cl)cc3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H05 compound treatment 0.436 -0.00212 -0.1 0.44 0.00303 0.18 0.0574 0.2751 3120361 ChemDiv3_009311 CN(C(=O)Cn1ncc2c(=O)oc3ccccc3c12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H06 compound treatment 0.426 -0.0121 -0.58 0.438 0.00103 0.06 -0.3648 -0.6275 3030290 ChemDiv3_009312 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H07 compound treatment 0.444 0.00588 0.28 0.458 0.021 1.27 1.0934 0.8431 3120362 ChemDiv3_009313 Cc1nn(C)c(C)c1S(=O)(=O)N2CCC(CC2)C(=O)NCc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H08 compound treatment 0.431 -0.00712 -0.34 0.434 -0.00297 -0.18 -0.3666 -0.9551 3030291 ChemDiv3_009314 CC1CCN(CC1)S(=O)(=O)c2c[nH]cn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H09 compound treatment 0.442 0.00388 0.18 0.441 0.00403 0.24 0.3022 0.9909 3120363 ChemDiv3_009315 CSC1=NCCN1C(=O)C2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H10 compound treatment 0.51 0.0719 3.43 0.521 0.084 5.06 6.0003 0.982 3030292 ChemDiv3_009316 C(CSc1nnc2sc3ccccc3n12)Oc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H11 compound treatment 0.433 -0.00512 -0.24 0.436 -9.69E-4 -0.06 -0.214 -0.852 3120364 ChemDiv3_009317 CC(Oc1ccccc1)C(=O)N2CCN=C2SCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H12 compound treatment 0.443 0.00488 0.23 0.445 0.00803 0.48 0.5063 0.9436 3120365 ChemDiv3_009318 CCc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H13 compound treatment 0.444 0.00588 0.28 0.437 3.12E-5 0.0 0.1994 0.7118 3030293 ChemDiv3_009319 CCC(=O)N1CCCc2cc(ccc12)S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H14 compound treatment 0.456 0.0179 0.85 0.472 0.035 2.11 2.094 0.9205 3120366 ChemDiv3_009320 Cn1c(=O)cc(SCC(=O)N2CCN(CC2)c3cccc(Cl)c3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H15 compound treatment 0.438 -1.25E-4 -0.01 0.461 0.024 1.45 1.0189 0.7042 3120538 ChemDiv3_009321 CCC(Sc1nc2cc(OC)c(OC)cc2c3nc(C)nn13)C(=O)NCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H16 compound treatment 0.429 -0.00912 -0.43 0.44 0.00303 0.18 -0.1785 -0.3785 3030294 ChemDiv3_009322 CCN1CCCC1CNC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H17 compound treatment 0.467 0.0289 1.38 0.468 0.031 1.87 2.2945 0.9887 3120539 ChemDiv3_009323 Fc1cccc(NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c32)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H18 compound treatment 0.431 -0.00712 -0.34 0.437 3.12E-5 0.0 -0.2388 -0.7032 3120540 ChemDiv3_009324 O=C(CCNS(=O)(=O)c1ccc2NC(=O)CCc2c1)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H19 compound treatment 0.45 0.0119 0.57 0.46 0.023 1.39 1.3808 0.9219 3030295 ChemDiv3_009325 CCc1ccc(NC(=O)c2cccc3CN(CCOC)C(=O)c32)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H20 compound treatment 0.429 -0.00912 -0.43 0.427 -0.00997 -0.6 -0.732 -0.9875 3030332 ChemDiv3_009326 COc1cc(cc(OC)c1OC)C(=O)NCC(N2CCOCC2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H21 compound treatment 0.439 8.75E-4 0.04 0.447 0.01 0.6 0.4566 0.7541 3030333 ChemDiv3_009327 COC(CNC(=O)c1cccc2CN(C(=O)c21)c3ccc(OC)cc3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H22 compound treatment 0.43 -0.00812 -0.39 0.432 -0.00497 -0.3 -0.4854 -0.9919 3030334 ChemDiv3_009328 CC1CCCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CCc4ccccc4)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H23 mock treatment 0.436 -0.00212 -0.1 0.443 0.00603 0.36 0.1852 0.4911 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 H24 mock treatment 0.434 -0.00412 -0.2 0.433 -0.00397 -0.24 -0.308 -0.9953 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I01 compound treatment 0.474 0.0359 1.71 0.474 0.037 2.23 2.7859 0.9914 3030335 ChemDiv3_009329 COc1ccc(CCNC(=O)CSc2nc3n(ncc3c(=O)[nH]2)c4ccc(C)cc4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I02 compound treatment 0.538 0.0999 4.76 0.531 0.094 5.66 7.3699 0.9963 3030336 ChemDiv3_009330 CCc1ccccc1Nc2cc(C(=O)NCC3COc4ccccc4O3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I03 compound treatment 0.445 0.00688 0.33 0.447 0.01 0.6 0.6588 0.9587 3120541 ChemDiv3_009331 COc1ccc(CNC(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I04 compound treatment 0.558 0.12 5.71 0.531 0.094 5.66 8.0441 1.0 3030337 ChemDiv3_009332 CCC(C)NC(=O)c1cc(Nc2ccc(cc2)C(C)C)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I05 compound treatment 0.487 0.0489 2.33 0.494 0.057 3.43 4.0756 0.9821 3120542 ChemDiv3_009333 CCc1ccccc1NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I06 compound treatment 0.464 0.0259 1.23 0.48 0.043 2.59 2.7042 0.9424 3120543 ChemDiv3_009334 CCC(C)N(Cc1c[nH]c2ccccc12)C(=S)Nc3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I07 compound treatment 0.491 0.0529 2.52 0.523 0.086 5.18 5.445 0.9452 3030338 ChemDiv3_009335 COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc4ccc(Oc5ccccc5)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I08 compound treatment 0.449 0.0109 0.52 0.441 0.00403 0.24 0.5382 0.9402 3120544 ChemDiv3_009336 CC(C)NC(=O)c1ccc(cc1)N2CCCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I09 compound treatment 0.436 -0.00212 -0.1 0.436 -9.69E-4 -0.06 -0.1129 -0.9656 3030339 ChemDiv3_009337 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I10 compound treatment 0.523 0.0849 4.05 0.523 0.086 5.18 6.5237 0.9925 3120545 ChemDiv3_009338 Clc1ccc(cc1)N2C(c3cccs3)c4c(n[nH]c4C2=O)c5ccc(Br)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I11 compound treatment 0.435 -0.00312 -0.15 0.437 3.12E-5 0.0 -0.104 -0.6981 3030340 ChemDiv3_009339 CC(C)NC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I12 compound treatment 0.453 0.0149 0.71 0.454 0.017 1.03 1.2265 0.9838 3120546 ChemDiv3_009340 CC(C)c1ccc(NC(=O)C2C3OC4(CN(Cc5cccnc5)C(=O)C24)C=C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I13 compound treatment 0.444 0.00588 0.28 0.443 0.00603 0.36 0.4548 0.9918 3120547 ChemDiv3_009341 Cc1cccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c3cccc4cccnc34)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I14 compound treatment 0.443 0.00488 0.23 0.443 0.00603 0.36 0.4211 0.9767 3030341 ChemDiv3_009342 CCOC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2CO)C(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I15 compound treatment 0.496 0.0579 2.76 0.537 0.1 6.02 6.2096 0.9373 3120548 ChemDiv3_009343 Cc1ccc(cc1)c2c(oc(=O)c3ccccc23)C(=O)NCCc4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I16 compound treatment 0.44 0.00188 0.09 0.449 0.012 0.72 0.5754 0.7884 3030342 ChemDiv3_009344 Cc1c(cnc2cc(nn12)c3ccccc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I17 compound treatment 0.498 0.0599 2.85 0.486 0.049 2.95 4.1057 0.9999 3120549 ChemDiv3_009345 Brc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I18 compound treatment 0.452 0.0139 0.66 0.451 0.014 0.84 1.0651 0.9927 3030343 ChemDiv3_009346 O=C1N(C(Nc2ccccc2)c3ccccc13)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I19 compound treatment 0.47 0.0319 1.52 0.496 0.059 3.55 3.5877 0.9281 3120550 ChemDiv3_009347 CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC)c(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I20 compound treatment 0.433 -0.00512 -0.24 0.431 -0.00597 -0.36 -0.4269 -0.9823 3120551 ChemDiv3_009348 Cc1ccccc1N2C(CNCCc3ccccc3)C(Oc4ccc(Cl)cc4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I21 compound treatment 0.398 -0.0401 -1.91 0.392 -0.045 -2.71 -3.2671 -0.9855 3030344 ChemDiv3_009349 CCN(CC)C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)Nc3cc(C)cc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I22 compound treatment 0.462 0.0239 1.14 0.48 0.043 2.59 2.6368 0.9318 3120552 ChemDiv3_009350 COc1ccccc1c2nn(CCC#N)c3nc(cc(C4CC4)c23)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I23 mock treatment 0.441 0.00288 0.14 0.437 3.12E-5 0.0 0.0982 0.7167 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 I24 mock treatment 0.452 0.0139 0.66 0.44 0.00303 0.18 0.5967 0.8697 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J01 compound treatment 0.446 0.00788 0.38 0.444 0.00703 0.42 0.5648 0.9982 3030345 ChemDiv3_009351 O=C(NCc1ccccc1)c2cccc3CN(C4CCCCC4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J02 compound treatment 0.437 -0.00112 -0.05 0.441 0.00403 0.24 0.1337 0.5379 3120553 ChemDiv3_009352 COc1ccc(cc1)n2nc(C(=O)NC3CCCC(C)C3C)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J03 compound treatment 0.441 0.00288 0.14 0.437 3.12E-5 0.0 0.0982 0.7167 3120554 ChemDiv3_009353 O=C(Cn1ncc2c(=O)oc3ccccc3c12)Nc4nc5ccccc5s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J04 compound treatment 0.437 -0.00112 -0.05 0.446 0.00903 0.54 0.3466 0.6343 3030346 ChemDiv3_009354 CCOC(=O)N1CCC(CC1)NC(=O)c2nn(c3ccc(C)cc3)c(=O)c4n(C)c5ccccc5c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J05 compound treatment 0.437 -0.00112 -0.05 0.434 -0.00297 -0.18 -0.1643 -0.8805 3120555 ChemDiv3_009355 Fc1ccccc1N2CCN(CCCNC(=O)Cn3ncc4c(=O)oc5ccccc5c34)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J06 compound treatment 0.44 0.00188 0.09 0.448 0.011 0.66 0.5329 0.7951 3120556 ChemDiv3_009356 COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J07 compound treatment 0.442 0.00388 0.18 0.44 0.00303 0.18 0.2597 1.0 3030347 ChemDiv3_009357 Cc1nn(C)c(C)c1S(=O)(=O)N2CCC(CC2)C(=O)Nc3ccc(C)cc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J08 compound treatment 0.438 -1.25E-4 -0.01 0.442 0.00503 0.3 0.21 0.6931 3120557 ChemDiv3_009358 CC1Cc2ccccc2N1S(=O)(=O)c3c[nH]cn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J09 compound treatment 0.436 -0.00212 -0.1 0.438 0.00103 0.06 -0.0277 -0.2333 3030348 ChemDiv3_009359 CSC1=NCCN1C(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J10 compound treatment 0.433 -0.00512 -0.24 0.433 -0.00397 -0.24 -0.3417 -0.9999 3120558 ChemDiv3_009360 CCSc1nnc2[nH]c3ccccc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J11 compound treatment 0.437 -0.00112 -0.05 0.443 0.00603 0.36 0.2189 0.5962 3030349 ChemDiv3_009361 O=C(Cc1ccccc1)N2CCN=C2SCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J12 compound treatment 0.427 -0.0111 -0.53 0.439 0.00203 0.12 -0.2885 -0.5301 3120559 ChemDiv3_009362 COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J13 compound treatment 0.433 -0.00512 -0.24 0.441 0.00403 0.24 -0.0011 -0.0033 3030350 ChemDiv3_009363 CC(=O)N1CCCc2cc(ccc12)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J14 compound treatment 0.429 -0.00912 -0.43 0.433 -0.00397 -0.24 -0.4766 -0.9602 3120560 ChemDiv3_009364 Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J15 compound treatment 0.439 8.75E-4 0.04 0.432 -0.00497 -0.3 -0.182 -0.6027 3120561 ChemDiv3_009365 COc1cc2nc(SCC(=O)N(C)C3CCCCC3)n4nc(C)nc4c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J16 compound treatment 0.431 -0.00712 -0.34 0.433 -0.00397 -0.24 -0.4091 -0.9852 3030351 ChemDiv3_009366 Cn1c(=O)cc(SCC(=O)NCCN2CCOCC2)c3ccc(Cl)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J17 compound treatment 0.459 0.0209 1.0 0.456 0.019 1.15 1.5139 0.9975 3120562 ChemDiv3_009367 O=C(NCc1ccco1)c2cccc3CN(Cc4cccnc4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J18 compound treatment 0.438 -1.25E-4 -0.01 0.439 0.00203 0.12 0.0823 0.6719 3120563 ChemDiv3_009368 Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)CCNS(=O)(=O)c3ccc4NC(=O)CCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J19 compound treatment 0.441 0.00288 0.14 0.446 0.00903 0.54 0.4814 0.8585 3030352 ChemDiv3_009369 COCCN1Cc2cccc(C(=O)NC(C)C3(CC4CC5CC(C4)C3)C5)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J20 compound treatment 0.436 -0.00212 -0.1 0.439 0.00203 0.12 0.0149 0.0935 3120564 ChemDiv3_009370 O=C(NCC(N1CCOCC1)c2cccnc2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J21 compound treatment 0.443 0.00488 0.23 0.442 0.00503 0.3 0.3785 0.9914 3030353 ChemDiv3_009371 O=C(N1CCCC1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J22 compound treatment 0.523 0.0849 4.05 0.547 0.11 6.62 7.5455 0.972 3120727 ChemDiv3_009372 OC1=C2C(Sc3ccccc3N=C2c4ccccc14)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J23 mock treatment 0.43 -0.00812 -0.39 0.438 0.00103 0.06 -0.23 -0.5863 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 J24 mock treatment 0.443 0.00488 0.23 0.429 -0.00797 -0.48 -0.1749 -0.3282 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K01 compound treatment 0.444 0.00588 0.28 0.444 0.00703 0.42 0.4974 0.9799 3120728 ChemDiv3_009373 Cc1ccc(cc1C)n2ncc3c(=O)[nH]c(SCC=C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K02 compound treatment 0.446 0.00788 0.38 0.453 0.016 0.97 0.948 0.9153 3030354 ChemDiv3_009374 CCc1ccccc1Nc2cc(C(=O)NCCN3CCCCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K03 compound treatment 0.439 8.75E-4 0.04 0.437 3.12E-5 0.0 0.0308 0.7383 3120729 ChemDiv3_009375 CC1CCCCC1NC(=O)c2cccn3c(=O)c4c5CCCCc5sc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K04 compound treatment 0.615 0.177 8.43 0.583 0.146 8.79 12.1793 0.9998 3120730 ChemDiv3_009376 COc1ccc(CNC(=O)c2cc(Nc3ccccc3OC)nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K05 compound treatment 0.448 0.00988 0.47 0.454 0.017 1.03 1.058 0.9376 3030355 ChemDiv3_009377 COc1ccc2nc3oc(cc3cc2c1)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K06 compound treatment 0.491 0.0529 2.52 0.499 0.062 3.73 4.4233 0.9817 3120731 ChemDiv3_009378 CCOc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K07 compound treatment 0.421 -0.0171 -0.82 0.439 0.00203 0.12 -0.4908 -0.5945 3030356 ChemDiv3_009379 COc1ccc2cc3cc(oc3nc2c1)C(=O)N(C)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K08 compound treatment 0.442 0.00388 0.18 0.454 0.017 1.03 0.8557 0.8213 3120732 ChemDiv3_009380 O=C(NCCCN1CCCC1=O)c2ccc(cc2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K09 compound treatment 0.441 0.00288 0.14 0.435 -0.00197 -0.12 0.0131 0.0722 3120733 ChemDiv3_009381 COc1ccc2cc3cc(oc3nc2c1)C(=O)N(C)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K10 compound treatment 0.518 0.0799 3.81 0.528 0.091 5.48 6.568 0.9842 3030357 ChemDiv3_009382 Cc1ccc(cc1)c2n[nH]c3C(=O)N(C(c23)c4ccccc4Cl)c5ccc(Cl)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K11 compound treatment 0.432 -0.00612 -0.29 0.431 -0.00597 -0.36 -0.4606 -0.9947 3120734 ChemDiv3_009383 CCN1CCN(CCCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K12 compound treatment 0.444 0.00588 0.28 0.45 0.013 0.78 0.7528 0.9037 1500716 ChemDiv3_009384 CCCN1C(=O)c2ccc(cc2C1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K13 compound treatment 0.43 -0.00812 -0.39 0.443 0.00603 0.36 -0.0171 -0.0322 3120735 ChemDiv3_009385 CC1CCCCN1C(=O)c2oc(=O)c3ccccc3c2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K14 compound treatment 0.462 0.0239 1.14 0.461 0.024 1.45 1.8279 0.9929 3120736 ChemDiv3_009386 CC(C)(C)OC(=O)N1CCC(CC1)c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K15 compound treatment 0.445 0.00688 0.33 0.441 0.00403 0.24 0.4034 0.9891 1332995 ChemDiv3_009387 Cc1ccc(cc1)c2c(oc(=O)c3ccccc23)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K16 compound treatment 0.508 0.0699 3.33 0.511 0.074 4.46 5.5072 0.9897 3120737 ChemDiv3_009388 COc1ccc(CNC(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K17 compound treatment 0.441 0.00288 0.14 0.443 0.00603 0.36 0.3537 0.9112 3030358 ChemDiv3_009389 Brc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K18 compound treatment 0.45 0.0119 0.57 0.454 0.017 1.03 1.1254 0.9608 3120738 ChemDiv3_009390 Cc1ccccc1/N=C/C=N/c2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K19 compound treatment 0.396 -0.0421 -2.01 0.398 -0.039 -2.35 -3.079 -0.997 3030359 ChemDiv3_009391 CCCN(CCC)C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)Nc3ccc(CC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K20 compound treatment 0.449 0.0109 0.52 0.451 0.014 0.84 0.9639 0.9725 3120739 ChemDiv3_009392 CCOC(=O)CCc1c(C)nc2ccc(Br)cn2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K21 compound treatment 0.542 0.104 4.95 0.542 0.105 6.32 7.9731 0.9927 3120740 ChemDiv3_009393 COc1ccc(Nc2cc(C(=O)NCc3ccco3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K22 compound treatment 0.441 0.00288 0.14 0.448 0.011 0.66 0.5666 0.8354 3030360 ChemDiv3_009394 Brc1cnc(nc1)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K23 mock treatment 0.432 -0.00612 -0.29 0.433 -0.00397 -0.24 -0.3754 -0.9951 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 K24 mock treatment 0.45 0.0119 0.57 0.448 0.011 0.66 0.8699 0.9968 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L01 compound treatment 0.558 0.12 5.71 0.55 0.113 6.81 8.853 0.9962 3120741 ChemDiv3_009395 O=C(NCCc1ccccc1)c2cc(c(s2)N3CCOCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L02 compound treatment 0.546 0.108 5.14 0.564 0.127 7.65 9.0445 0.9813 3030361 ChemDiv3_009396 COc1ccc(cc1)n2nc(C(=O)NCC3CCCO3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L03 compound treatment 0.458 0.0199 0.95 0.462 0.025 1.51 1.7356 0.975 3120742 ChemDiv3_009397 Clc1cccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L04 compound treatment 0.458 0.0199 0.95 0.455 0.018 1.09 1.4376 0.9977 3120743 ChemDiv3_009398 CC(CCc1ccccc1)NC(=O)c2nn(c3ccc(C)cc3)c(=O)c4n(C)c5ccccc5c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L05 compound treatment 0.484 0.0459 2.19 0.493 0.056 3.37 3.9319 0.978 3030362 ChemDiv3_009399 Cn1c(cc2c(=O)oc3ccccc3c12)C(=O)Nc4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L06 compound treatment 0.458 0.0199 0.95 0.461 0.024 1.45 1.6931 0.9789 3120744 ChemDiv3_009400 COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)N4CCCCC4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L07 compound treatment 0.445 0.00688 0.33 0.447 0.01 0.6 0.6588 0.9587 3120745 ChemDiv3_009401 Cc1ccc(cc1)N(CC(=O)NCc2cccs2)S(=O)(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L08 compound treatment 0.44 0.00188 0.09 0.442 0.00503 0.3 0.2774 0.8783 3030393 ChemDiv3_009402 Cc1cccc(CCNS(=O)(=O)c2c[nH]cn2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L09 compound treatment 0.453 0.0149 0.71 0.451 0.014 0.84 1.0988 0.9962 3120746 ChemDiv3_009403 CSC1=NCCN1C(=O)COc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L10 compound treatment 0.435 -0.00312 -0.15 0.446 0.00903 0.54 0.2792 0.4951 3030394 ChemDiv3_009404 CCSc1nnc2n(CC)c3ccccc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L11 compound treatment 0.445 0.00688 0.33 0.452 0.015 0.91 0.8717 0.9056 3120747 ChemDiv3_009405 Fc1cccc(Cl)c1CSC2=NCCN2C(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L12 compound treatment 0.453 0.0149 0.71 0.441 0.00403 0.24 0.673 0.898 3030395 ChemDiv3_009406 CN(C(=O)c1cnc2scc(C)n2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L13 compound treatment 0.446 0.00788 0.38 0.458 0.021 1.27 1.1608 0.8789 3120748 ChemDiv3_009407 CCCN(CCC)S(=O)(=O)c1ccc2N(CCCc2c1)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L14 compound treatment 0.441 0.00288 0.14 0.448 0.011 0.66 0.5666 0.8354 3120749 ChemDiv3_009408 Cn1c(=O)cc(SCC(=O)NCc2cccnc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L15 compound treatment 0.449 0.0109 0.52 0.447 0.01 0.6 0.7936 0.9971 3030396 ChemDiv3_009409 COc1cc2nc(SCc3ccc(C)cc3)n4nc(nc4c2cc1OC)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L16 compound treatment 0.443 0.00488 0.23 0.457 0.02 1.21 1.0171 0.8281 3120750 ChemDiv3_009410 CCN(CC)C(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L17 compound treatment 0.46 0.0219 1.04 0.477 0.04 2.41 2.4417 0.9297 3120751 ChemDiv3_009411 CCOC(=O)c1ccc(NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c32)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L18 compound treatment 0.448 0.00988 0.47 0.44 0.00303 0.18 0.4619 0.9149 3030397 ChemDiv3_009412 COc1ccccc1N2CCN(CC2)C(=O)CCNS(=O)(=O)c3ccc4NC(=O)CCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L19 compound treatment 0.447 0.00888 0.42 0.445 0.00803 0.48 0.6411 0.9978 3120752 ChemDiv3_009413 COCCN1Cc2cccc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L20 compound treatment 0.443 0.00488 0.23 0.445 0.00803 0.48 0.5063 0.9436 3030398 ChemDiv3_009414 O=C(NCC(N1CCOCC1)c2cccnc2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L21 compound treatment 0.463 0.0249 1.19 0.474 0.037 2.23 2.4151 0.9563 3120753 ChemDiv3_009415 O=C(NCC1CCCO1)c2cc3c(=O)[nH]c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L22 compound treatment 0.525 0.0869 4.14 0.527 0.09 5.42 6.7614 0.9912 3120754 ChemDiv3_009416 OC1=C2C(Sc3ccccc3N=C2c4ccccc14)c5ccsc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L23 mock treatment 0.442 0.00388 0.18 0.457 0.02 1.21 0.9834 0.806 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 L24 mock treatment 0.445 0.00688 0.33 0.438 0.00103 0.06 0.2756 0.8264 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M01 compound treatment 0.437 -0.00112 -0.05 0.451 0.014 0.84 0.5595 0.6609 3030399 ChemDiv3_009417 CCOC(=O)C(CC)Sc1nc2n(ncc2c(=O)[nH]1)c3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M02 compound treatment 0.471 0.0329 1.57 0.472 0.035 2.11 2.5996 0.9893 3120933 ChemDiv3_009418 CCc1ccc(Nc2cc(C(=O)NCC(OC)OC)c3ccccc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M03 compound treatment 0.44 0.00188 0.09 0.443 0.00603 0.36 0.32 0.8556 3120934 ChemDiv3_009419 CC(C)CCNC(=O)c1cccn2c(=O)c3c4CCCCc4sc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M04 compound treatment 0.441 0.00288 0.14 0.441 0.00403 0.24 0.2685 0.9634 3030400 ChemDiv3_009420 COc1ccccc1Nc2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M05 compound treatment 0.451 0.0129 0.61 0.447 0.01 0.6 0.8611 1.0 3120935 ChemDiv3_009421 CCC(C)NC(=O)c1cc2cc3cc(OC)ccc3nc2o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M06 compound treatment 0.503 0.0649 3.09 0.495 0.058 3.49 4.6574 0.9981 3120936 ChemDiv3_009422 CC(C)N(Cc1cn(C)c2ccccc12)C(=S)Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M07 compound treatment 0.482 0.0439 2.09 0.484 0.047 2.83 3.4813 0.9889 3030401 ChemDiv3_009423 COc1ccc2cc3cc(oc3nc2c1)C(=O)NC4CCCC(C)C4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M08 compound treatment 0.448 0.00988 0.47 0.452 0.015 0.91 0.9728 0.9536 3120937 ChemDiv3_009424 CC1CCCC(NC(=O)c2ccc(cc2)N3CCCC3=O)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M09 compound treatment 0.443 0.00488 0.23 0.444 0.00703 0.42 0.4637 0.9601 3120938 ChemDiv3_009425 CCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2o1)c4ccc(CC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M10 compound treatment 0.452 0.0139 0.66 0.439 0.00203 0.12 0.5542 0.8239 3030402 ChemDiv3_009426 Cc1n[nH]c2C(=O)N(C(c12)c3ccc(C)cc3)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M11 compound treatment 0.854 0.416 19.82 0.867 0.43 25.89 32.3266 0.9913 3120939 ChemDiv3_009427 N=C/1N2N=CSC2=NC(=O)\C1=C\c3cccn3c4ccc5ccccc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M12 compound treatment 0.439 8.75E-4 0.04 0.439 0.00203 0.12 0.116 0.8975 3030403 ChemDiv3_009428 CCOC(=O)N1CCC(CC1)c2nc3ccccc3[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M13 compound treatment 0.434 -0.00412 -0.2 0.439 0.00203 0.12 -0.0526 -0.227 3120940 ChemDiv3_009429 CCCNC(=O)c1oc(=O)c2ccccc2c1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M14 compound treatment 0.435 -0.00312 -0.15 0.441 0.00403 0.24 0.0663 0.2328 3030404 ChemDiv3_009430 CCOC(=O)N1CCC(CC1)N2Cc3cccc(C(=O)O)c3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M15 compound treatment 0.442 0.00388 0.18 0.441 0.00403 0.24 0.3022 0.9909 3120941 ChemDiv3_009431 CCOc1ccc(CN2C(=O)c3ccccc3Sc4ccc(cc24)C(=O)N5CCOCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M16 compound treatment 0.427 -0.0111 -0.53 0.434 -0.00297 -0.18 -0.5014 -0.8959 3030405 ChemDiv3_009432 OC1N(C(=O)c2ccccc12)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M17 compound treatment 0.435 -0.00312 -0.15 0.438 0.00103 0.06 -0.0614 -0.3806 3120942 ChemDiv3_009433 CC1CCCC(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(=O)C)cc3)cc2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M18 compound treatment 0.445 0.00688 0.33 0.448 0.011 0.66 0.7014 0.947 3030406 ChemDiv3_009434 CCOC(=O)CCn1nc(cc1N)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M19 compound treatment 0.4 -0.0381 -1.82 0.383 -0.054 -3.25 -3.5828 -0.9623 3120943 ChemDiv3_009435 CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCC4)c(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M20 compound treatment 0.437 -0.00112 -0.05 0.437 3.12E-5 0.0 -0.0366 -0.6819 3030407 ChemDiv3_009436 CCOC(=O)CCc1c(C)nc2ccc(C)cn2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M21 compound treatment 0.487 0.0489 2.33 0.492 0.055 3.31 3.9904 0.9851 3120944 ChemDiv3_009437 COc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M22 compound treatment 0.444 0.00588 0.28 0.445 0.00803 0.48 0.54 0.9663 3030408 ChemDiv3_009438 OC(=O)c1cnc(nc1)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M23 mock treatment 0.44 0.00188 0.09 0.434 -0.00297 -0.18 -0.0632 -0.3162 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 M24 mock treatment 0.453 0.0149 0.71 0.44 0.00303 0.18 0.6305 0.861 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N01 compound treatment 0.438 -1.25E-4 -0.01 0.453 0.016 0.97 0.6783 0.7027 3120945 ChemDiv3_009439 CCc1cccc(NC(=O)c2cccc3CN(CC4CCCO4)C(=O)c32)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N02 compound treatment 0.437 -0.00112 -0.05 0.436 -9.69E-4 -0.06 -0.0792 -0.9991 3030409 ChemDiv3_009440 CCN(CC)C(=O)c1nn(c2ccc(OC)cc2)c(=O)c3n(C)c4ccccc4c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N03 compound treatment 0.447 0.00888 0.42 0.437 3.12E-5 0.0 0.3005 0.7102 3120946 ChemDiv3_009441 O=C(Cn1ncc2c(=O)oc3ccccc3c12)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N04 compound treatment 0.495 0.0569 2.71 0.489 0.052 3.13 4.1323 0.9974 3120947 ChemDiv3_009442 Cc1[nH]c2ccc(F)cc2c1CCN(Cc3ccco3)C(=S)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N05 compound treatment 0.438 -1.25E-4 -0.01 0.452 0.015 0.91 0.6357 0.7024 3030410 ChemDiv3_009443 Cc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3n2C)cc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N06 compound treatment 0.452 0.0139 0.66 0.461 0.024 1.45 1.4908 0.9371 3120948 ChemDiv3_009444 COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N07 compound treatment 0.439 8.75E-4 0.04 0.453 0.016 0.97 0.712 0.737 3030411 ChemDiv3_009445 COc1ccc2nc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c4c(C)noc4C)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N08 compound treatment 0.425 -0.0131 -0.63 0.438 0.00103 0.06 -0.3985 -0.6338 3120949 ChemDiv3_009446 Clc1ccc(CNS(=O)(=O)c2c[nH]cn2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N09 compound treatment 0.442 0.00388 0.18 0.441 0.00403 0.24 0.3022 0.9909 3030412 ChemDiv3_009447 CSC1=NCCN1C(=O)Cc2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N10 compound treatment 0.476 0.0379 1.81 0.484 0.047 2.83 3.279 0.9764 3120950 ChemDiv3_009448 C(Cn1c2nnc(SCc3ccccc3)n2c4ccccc14)Oc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N11 compound treatment 0.468 0.0299 1.42 0.48 0.043 2.59 2.8391 0.9603 3120951 ChemDiv3_009449 Cc1ccc(C)c(CSC2=NCCN2C(=O)COc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N12 compound treatment 0.435 -0.00312 -0.15 0.438 0.00103 0.06 -0.0614 -0.3806 3030413 ChemDiv3_009450 CC1Cc2ccccc2N1C(=O)c3cnc4scc(C)n4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N13 compound treatment 0.45 0.0119 0.57 0.45 0.013 0.78 0.9551 0.9872 3029946 ChemDiv3_009451 CCc1ccc(NS(=O)(=O)c2ccc3N(CCCc3c2)C(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N14 compound treatment 0.436 -0.00212 -0.1 0.436 -9.69E-4 -0.06 -0.1129 -0.9656 3029947 ChemDiv3_009452 Cn1c(=O)cc(SCC(=O)N(CC=C)c2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N15 compound treatment 0.433 -0.00512 -0.24 0.451 0.014 0.84 0.4246 0.4828 3029948 ChemDiv3_009453 COc1cc2nc(SCc3ccc(F)cc3)n4nc(nc4c2cc1OC)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N16 compound treatment 0.441 0.00288 0.14 0.443 0.00603 0.36 0.3537 0.9112 3029949 ChemDiv3_009454 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(CC(C)C)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N17 compound treatment 0.466 0.0279 1.33 0.473 0.036 2.17 2.4736 0.9723 3029950 ChemDiv3_009455 CCc1cccc(C)c1NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N18 compound treatment 0.438 -1.25E-4 -0.01 0.447 0.01 0.6 0.4229 0.7001 3120952 ChemDiv3_009456 Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N19 compound treatment 0.439 8.75E-4 0.04 0.441 0.00403 0.24 0.2011 0.8167 3029951 ChemDiv3_009457 O=C(NC1CCCCCC1)c2cccc3CN(C4CCCCC4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N20 compound treatment 0.433 -0.00512 -0.24 0.435 -0.00197 -0.12 -0.2566 -0.9448 3120953 ChemDiv3_009458 CN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N21 compound treatment 0.45 0.0119 0.57 0.445 0.00803 0.48 0.7422 0.9969 3029952 ChemDiv3_009459 COC(=O)CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N22 compound treatment 0.543 0.105 5.0 0.538 0.101 6.08 7.8365 0.9953 3120954 ChemDiv3_009460 COc1cc(ccc1OC(=O)C)C2Sc3ccccc3N=C4C2=C(O)c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N23 mock treatment 0.435 -0.00312 -0.15 0.429 -0.00797 -0.48 -0.4446 -0.885 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 N24 mock treatment 0.438 -1.25E-4 -0.01 0.435 -0.00197 -0.12 -0.088 -0.7417 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O01 compound treatment 0.434 -0.00412 -0.2 0.436 -9.69E-4 -0.06 -0.1803 -0.879 3029953 ChemDiv3_009461 CS(=O)(=O)Nc1ccc(cc1)C2=NN(C(C2)c3ccccc3F)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O02 compound treatment 0.577 0.139 6.62 0.557 0.12 7.23 9.7914 0.999 3120955 ChemDiv3_009462 CCc1ccc(Nc2cc(C(=O)NCc3cccs3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O03 compound treatment 0.443 0.00488 0.23 0.438 0.00103 0.06 0.2082 0.8657 3120956 ChemDiv3_009463 CC(C)NC(=O)c1cccn2c(=O)c3c4CCCCc4sc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O04 compound treatment 0.484 0.0459 2.19 0.485 0.048 2.89 3.5913 0.9905 3029954 ChemDiv3_009464 COc1ccccc1Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O05 compound treatment 0.534 0.0959 4.57 0.54 0.103 6.2 7.6182 0.9887 3120957 ChemDiv3_009465 COc1ccc2nc3oc(cc3cc2c1)C(=O)Nc4ccc(cc4)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O06 compound treatment 0.497 0.0589 2.81 0.501 0.064 3.86 4.7107 0.9878 3120958 ChemDiv3_009466 CCn1cc(CN(C2CCCCC2)C(=O)Nc3cccc(OC)c3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O07 compound treatment 0.489 0.0509 2.43 0.498 0.061 3.67 4.3133 0.9797 3029957 ChemDiv3_009467 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O08 compound treatment 0.451 0.0129 0.61 0.45 0.013 0.78 0.9888 0.9926 3029958 ChemDiv3_009468 O=C(N1CCCC1)c2ccc(cc2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O09 compound treatment 0.46 0.0219 1.04 0.436 -9.69E-4 -0.06 0.6961 0.6665 3120959 ChemDiv3_009469 COc1ccc2cc3cc(oc3nc2c1)C(=O)N(C)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O10 compound treatment 0.517 0.0789 3.76 0.51 0.073 4.4 5.768 0.997 3120960 ChemDiv3_009470 Cc1ccc(cc1)c2n[nH]c3C(=O)NC(c23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O11 compound treatment 0.548 0.11 5.24 0.531 0.094 5.66 7.707 0.9992 3029959 ChemDiv3_009471 Brc1ccc(cc1)n2cccc2/C=C\3/C(=N)N4C=CSC4=NC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O12 compound treatment 0.445 0.00688 0.33 0.442 0.00503 0.3 0.4459 0.9992 3121144 ChemDiv3_009472 CCOC(=O)N1CCC(CC1)N2C(=O)c3ccc(cc3C2=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O13 compound treatment 0.433 -0.00512 -0.24 0.445 0.00803 0.48 0.1692 0.3123 1213585 ChemDiv3_009473 NS(=O)(=O)c1ccc(CCNC(=O)c2oc(=O)c3ccccc3c2c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O14 compound treatment 0.486 0.0479 2.28 0.492 0.055 3.31 3.9567 0.9834 3029961 ChemDiv3_009474 Oc1cc(nc2c(cnn12)C(=O)Nc3ccc(Cl)cc3)C4CCNCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O15 compound treatment 0.503 0.0649 3.09 0.492 0.055 3.31 4.5297 0.9994 3121145 ChemDiv3_009475 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc2ccc(cc2)C(=O)NCCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O16 compound treatment 0.447 0.00888 0.42 0.469 0.032 1.93 1.6629 0.8422 3029962 ChemDiv3_009476 O=C1N(C(Nc2ccc(cc2)S(=O)(=O)N3CCCCC3)c4ccccc14)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O17 compound treatment 0.436 -0.00212 -0.1 0.437 3.12E-5 0.0 -0.0703 -0.6939 3121146 ChemDiv3_009477 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O18 compound treatment 0.444 0.00588 0.28 0.449 0.012 0.72 0.7103 0.9145 3029964 ChemDiv3_009478 Cc1ccccc1N2C(CNC(C)(C)C)C(Oc3ccc(Cl)cc3)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O19 compound treatment 0.395 -0.0431 -2.06 0.355 -0.082 -4.94 -4.9434 -0.9246 3121147 ChemDiv3_009479 Fc1ccccc1NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O20 compound treatment 0.484 0.0459 2.19 0.487 0.05 3.01 3.6764 0.9876 3121148 ChemDiv3_009480 CC(=O)N(CCc1ccccc1)CC2C(Oc3ccc(Cl)cc3)C(=O)N2c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O21 compound treatment 0.46 0.0219 1.04 0.451 0.014 0.84 1.3347 0.9945 3029967 ChemDiv3_009481 CCOC(=O)C1CCCN(C1)C(=O)c2cc(Nc3ccc(OC)cc3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O22 compound treatment 0.444 0.00588 0.28 0.448 0.011 0.66 0.6677 0.9263 3121149 ChemDiv3_009482 O=C1OCC2=C1C(NC(=O)N2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O23 mock treatment 0.434 -0.00412 -0.2 0.429 -0.00797 -0.48 -0.4783 -0.9224 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 O24 mock treatment 0.446 0.00788 0.38 0.443 0.00603 0.36 0.5222 0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P01 compound treatment 0.426 -0.0121 -0.58 0.433 -0.00397 -0.24 -0.5777 -0.9236 3029804 ChemDiv3_009483 COc1cc2[nH]c(=S)nc(NCCC(C)C)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P02 compound treatment 0.444 0.00588 0.28 0.446 0.00903 0.54 0.5825 0.9524 3029806 ChemDiv3_009484 COc1ccc(cc1)n2nc(C(=O)N(C)c3ccccc3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P03 compound treatment 0.441 0.00288 0.14 0.458 0.021 1.27 0.9923 0.7791 3029808 ChemDiv3_009485 CN(C)CCNC(=O)Cn1ncc2c(=O)oc3ccccc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P04 compound treatment 0.5 0.0619 2.95 0.509 0.072 4.34 5.1524 0.9824 3029811 ChemDiv3_009486 COc1ccc(OC)c(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc4ccco4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P05 compound treatment 0.448 0.00988 0.47 0.462 0.025 1.51 1.3986 0.8858 3029812 ChemDiv3_009487 CCc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3cccnc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P06 compound treatment 0.535 0.0969 4.62 0.518 0.081 4.88 6.7153 0.9996 3029815 ChemDiv3_009488 COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P07 compound treatment 0.444 0.00588 0.28 0.448 0.011 0.66 0.6677 0.9263 3121150 ChemDiv3_009489 Cc1noc(C)c1S(=O)(=O)N(CC(=O)N2CCCCCC2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P08 compound treatment 0.435 -0.00312 -0.15 0.444 0.00703 0.42 0.194 0.4323 3121151 ChemDiv3_009490 O=C(C1CCN(CC1)S(=O)(=O)c2c[nH]cn2)N3CCn4c3nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P09 compound treatment 0.448 0.00988 0.47 0.437 3.12E-5 0.0 0.3342 0.7099 3029819 ChemDiv3_009491 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N2CCN=C2SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P10 compound treatment 0.436 -0.00212 -0.1 0.436 -9.69E-4 -0.06 -0.1129 -0.9656 3029874 ChemDiv3_009492 CCSc1nnc2n(c3ccccc3)c4ccccc4n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P11 compound treatment 0.486 0.0479 2.28 0.482 0.045 2.71 3.5309 0.9963 3029876 ChemDiv3_009493 Cc1ccc(C)c(CSC2=NCCN2C(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P12 compound treatment 0.446 0.00788 0.38 0.441 0.00403 0.24 0.4371 0.9777 3029878 ChemDiv3_009494 COc1cc2NC(=S)N3C(=O)C(CCC(=O)NCCc4ccc(Cl)cc4)N=C3c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P13 compound treatment 0.44 0.00188 0.09 0.447 0.01 0.6 0.4903 0.803 3029881 ChemDiv3_009495 CC(=O)N1CCCc2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P14 compound treatment 0.437 -0.00112 -0.05 0.44 0.00303 0.18 0.0911 0.4791 3029882 ChemDiv3_009496 Cc1ccc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)nc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P15 compound treatment 0.446 0.00788 0.38 0.459 0.022 1.33 1.2034 0.8729 3029884 ChemDiv3_009497 COc1cc2nc(SCC(=O)N)n3nc(CCn4c(C)nc5ccccc45)nc3c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P16 compound treatment 0.438 -1.25E-4 -0.01 0.451 0.014 0.84 0.5932 0.7021 3121152 ChemDiv3_009498 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(CC(C)C)C(=O)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P17 compound treatment 0.455 0.0169 0.8 0.457 0.02 1.21 1.4216 0.9806 3029886 ChemDiv3_009499 CCOc1ccccc1NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P18 compound treatment 0.433 -0.00512 -0.24 0.445 0.00803 0.48 0.1692 0.3123 3121153 ChemDiv3_009500 CN(C)C(CNC(=S)Nc1ccccc1)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P19 compound treatment 0.442 0.00388 0.18 0.446 0.00903 0.54 0.5151 0.897 3121154 ChemDiv3_009501 CCc1ccc(NC(=O)c2cccc3CN(C4CCCCC4)C(=O)c32)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P20 compound treatment 0.448 0.00988 0.47 0.451 0.014 0.84 0.9302 0.9619 3029889 ChemDiv3_009502 CC(=O)Nc1ccc(OCCOc2ccc(/C=C\3/C(=N)N4C=CSC4=NC3=O)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P21 compound treatment 0.446 0.00788 0.38 0.448 0.011 0.66 0.7351 0.9635 3121155 ChemDiv3_009503 CC1CC(C)CN(CCCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P22 compound treatment 0.459 0.0209 1.0 0.457 0.02 1.21 1.5565 0.9954 3121156 ChemDiv3_009504 O=C(C(NS(=O)(=O)c1cccc2nsnc12)c3ccccc3)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P23 mock treatment 0.446 0.00788 0.38 0.447 0.01 0.6 0.6925 0.9738 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2027 P24 mock treatment 0.446 0.00788 0.38 0.436 -9.69E-4 -0.06 0.2242 0.5902 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A01 compound treatment 0.433 -4.06E-4 -0.02 0.391 -0.0147 -0.89 -0.6395 -0.7224 3029892 ChemDiv3_009505 CC1CCN(CC1)C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A02 compound treatment 0.462 0.0286 1.36 0.414 0.0083 0.5 1.3172 0.9073 3029893 ChemDiv3_009506 Cc1cc(C)c2sc(nc2c1)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A03 compound treatment 0.429 -0.00441 -0.21 0.397 -0.0087 -0.52 -0.5189 -0.9195 3121157 ChemDiv3_009507 COc1ccc(OC)c(c1)C2N(Cc3ccc(C)cc3)CCCN2Cc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A04 compound treatment 0.66 0.227 10.8 0.649 0.243 14.65 17.9964 0.9888 3029896 ChemDiv3_009508 N=C/1N2C=CSC2=NC(=O)\C1=C/c3ccc(SC4CCCCC4)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A05 compound treatment 0.44 0.00659 0.31 0.383 -0.0227 -1.37 -0.7442 -0.5306 3121158 ChemDiv3_009509 CC1CN(CC(C)O1)C(=O)CCn2c(=O)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A06 compound treatment 0.431 -0.00241 -0.11 0.405 -7.0E-4 -0.04 -0.1109 -0.9076 3121159 ChemDiv3_009510 O=C(CSc1c2CCCc2nc3ccccc13)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A07 compound treatment 0.428 -0.00541 -0.26 0.412 0.0063 0.38 0.086 0.1875 3029899 ChemDiv3_009511 CC(C)NC(=O)CCn1c(=O)sc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A08 compound treatment 0.428 -0.00541 -0.26 0.411 0.0053 0.32 0.0434 0.1058 3029968 ChemDiv3_009512 COc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A09 compound treatment 0.476 0.0426 2.03 0.425 0.0193 1.16 2.2574 0.9649 3029970 ChemDiv3_009513 CC(C1Sc2ccccc2N(Cc3ccc(F)cc3)C1=O)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A10 compound treatment 0.493 0.0596 2.84 0.452 0.0463 2.79 3.98 1.0 3029973 ChemDiv3_009514 CCc1ccc(cc1)n2c(nc3ccccc3c2=O)N(C)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A11 compound treatment 0.431 -0.00241 -0.11 0.409 0.0033 0.2 0.0594 0.2589 3029974 ChemDiv3_009515 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A12 compound treatment 0.435 0.00159 0.08 0.424 0.0183 1.1 0.8328 0.7541 3029975 ChemDiv3_009516 CC1CCC(CC1)NS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A13 compound treatment 0.437 0.00359 0.17 0.394 -0.0117 -0.7 -0.377 -0.52 3121160 ChemDiv3_009517 CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A14 compound treatment 0.43 -0.00341 -0.16 0.416 0.0103 0.62 0.3237 0.5049 3029978 ChemDiv3_009518 CCCCN(C)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A15 compound treatment 0.451 0.0176 0.84 0.41 0.0043 0.26 0.7761 0.8842 3121161 ChemDiv3_009519 O=C(CSc1c2CCCCc2nc3ccccc13)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A16 compound treatment 0.427 -0.00641 -0.31 0.396 -0.0097 -0.58 -0.6289 -0.9543 3029981 ChemDiv3_009520 COc1ccc(cc1)N(C)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A17 compound treatment 0.435 0.00159 0.08 0.431 0.0253 1.52 1.1309 0.7415 3121162 ChemDiv3_009521 CC1CCCN(C1)c2c3CCCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A18 compound treatment 0.429 -0.00441 -0.21 0.389 -0.0167 -1.01 -0.8595 -0.8368 3029984 ChemDiv3_009522 CN(C1CCCCC1)S(=O)(=O)c2ccc3n(C)cc(C(=O)NCCN4CCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A19 compound treatment 0.442 0.00859 0.41 0.434 0.0283 1.7 1.4945 0.8528 3121163 ChemDiv3_009523 CC1(C)CC(=O)c2sc(Nc3nc4c(F)cccc4s3)nc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A20 compound treatment 0.426 -0.00741 -0.35 0.397 -0.0087 -0.52 -0.62 -0.9816 3121164 ChemDiv3_009524 CCn1cc(C(=O)N2CCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A21 compound treatment 0.485 0.0516 2.46 0.433 0.0273 1.64 2.9014 0.9808 3029987 ChemDiv3_009525 Fc1ccc(Nc2nc3ccc(F)cc3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A22 compound treatment 0.41 -0.0234 -1.12 0.363 -0.0427 -2.57 -2.6069 -0.9302 3121165 ChemDiv3_009526 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)NC3CCCC3)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A23 mock treatment 0.433 -4.06E-4 -0.02 0.392 -0.0137 -0.82 -0.597 -0.7235 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 A24 mock treatment 0.429 -0.00441 -0.21 0.385 -0.0207 -1.25 -1.0298 -0.8148 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B01 compound treatment 0.462 0.0286 1.36 0.435 0.0293 1.76 2.2113 0.9919 3029990 ChemDiv3_009527 Cc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B02 compound treatment 0.446 0.0126 0.6 0.412 0.0063 0.38 0.6927 0.9755 3029992 ChemDiv3_009528 CC(C)NC(=O)c1cc(C)nn1c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B03 compound treatment 0.45 0.0166 0.79 0.421 0.0153 0.92 1.2107 0.9971 3030151 ChemDiv3_009529 CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B04 compound treatment 0.447 0.0136 0.65 0.405 -7.0E-4 -0.04 0.4284 0.6597 3030154 ChemDiv3_009530 CC1=C(C(=O)Nc2ccccc2Br)C3(CCCCC3)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B05 compound treatment 0.458 0.0246 1.17 0.412 0.0063 0.38 1.0972 0.8904 3030157 ChemDiv3_009531 Clc1cccc(Cl)c1S(=O)(=O)Cc2ccc(o2)C(=O)N3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B06 compound treatment 0.44 0.00659 0.31 0.414 0.0083 0.5 0.5756 0.975 3030158 ChemDiv3_009532 CCCN(CCC)C(=O)C1=C(C)C(=O)OC21CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B07 compound treatment 0.447 0.0136 0.65 0.428 0.0223 1.34 1.4076 0.9442 3030161 ChemDiv3_009533 Cc1oc(nc1CN2CCC(CC2)C(=O)NCc3ccc(Cl)cc3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B08 compound treatment 0.521 0.0876 4.18 0.492 0.0863 5.2 6.6268 0.9941 3030163 ChemDiv3_009534 COc1ccc(CCNc2cc(C)nc3c(c(C)nn23)c4ccc(OC)c(OC)c4)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B09 compound treatment 0.45 0.0166 0.79 0.435 0.0293 1.76 1.8068 0.9345 3121166 ChemDiv3_009535 Cc1oc(nc1CSCC(=O)NC2CCCC2)c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B10 compound treatment 0.451 0.0176 0.84 0.416 0.0103 0.62 1.0316 0.989 3030165 ChemDiv3_009536 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B11 compound treatment 0.447 0.0136 0.65 0.445 0.0393 2.37 2.1314 0.8688 3121167 ChemDiv3_009537 Cc1oc(nc1CSCC(=O)NC2CC2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B12 compound treatment 0.445 0.0116 0.55 0.437 0.0313 1.88 1.7234 0.8775 3030168 ChemDiv3_009538 Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B13 compound treatment 0.455 0.0216 1.03 0.43 0.0243 1.46 1.7624 0.9852 3121168 ChemDiv3_009539 Cc1oc(nc1CS(=O)CC(=O)NCc2ccccn2)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B14 compound treatment 0.475 0.0416 1.98 0.467 0.0613 3.69 4.0119 0.9575 3121169 ChemDiv3_009540 Cc1cc2cc(CNC(=O)Cc3cccc(C)c3)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B15 compound treatment 0.45 0.0166 0.79 0.405 -7.0E-4 -0.04 0.5295 0.6685 3030241 ChemDiv3_009541 COc1ccc(cc1OC)c2nc(CS(=O)CC(=O)NC(C)c3ccccc3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B16 compound treatment 0.451 0.0176 0.84 0.451 0.0453 2.73 2.5217 0.8837 3030245 ChemDiv3_009542 Cc1cc2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B17 compound treatment 0.453 0.0196 0.93 0.458 0.0523 3.15 2.8871 0.879 3030246 ChemDiv3_009543 Cc1oc(nc1CS(=O)(=O)CC(=O)NCc2ccc3OCOc3c2)c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B18 compound treatment 0.457 0.0236 1.12 0.432 0.0263 1.58 1.915 0.986 3030247 ChemDiv3_009544 Fc1ccc(cc1F)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B19 compound treatment 0.445 0.0116 0.55 0.413 0.0073 0.44 0.7016 0.9936 3030251 ChemDiv3_009545 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)NCC(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B20 compound treatment 0.476 0.0426 2.03 0.458 0.0523 3.15 3.6624 0.9775 3030252 ChemDiv3_009546 O=C1N(Cc2ccc3[nH]c4CCCCc4c3c2)C(=O)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B21 compound treatment 0.446 0.0126 0.6 0.404 -0.0017 -0.1 0.3521 0.5782 3121348 ChemDiv3_009547 CN(C)CCNC(=O)c1ccc2c(c1)N(Cc3ccc(F)cc3)C(=O)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B22 compound treatment 0.476 0.0426 2.03 0.454 0.0483 2.91 3.4921 0.9846 3030257 ChemDiv3_009548 Cc1cc2cc(CNC(=S)Nc3ccccc3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B23 mock treatment 0.44 0.00659 0.31 0.4 -0.0057 -0.34 -0.0204 -0.0439 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 B24 mock treatment 0.437 0.00359 0.17 0.402 -0.0037 -0.22 -0.0364 -0.1295 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C01 compound treatment 0.421 -0.0124 -0.59 0.39 -0.0157 -0.95 -1.0866 -0.9745 3121349 ChemDiv3_009549 O=C(C(Cc1ccccc1)NS(=O)(=O)c2cccc3nsnc23)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C02 compound treatment 0.425 -0.00841 -0.4 0.402 -0.0037 -0.22 -0.4409 -0.9616 3030261 ChemDiv3_009550 COc1ccc(C)c2sc(nc12)N3CCN(CC3)c4nc5c(OC)ccc(C)c5s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C03 compound treatment 0.451 0.0176 0.84 0.434 0.0283 1.7 1.7979 0.9467 3121350 ChemDiv3_009551 Cc1ccc(cc1)n2c(=O)n(Cc3ccccc3F)c4cc(ccc4c2=O)C(=O)NCc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C04 compound treatment 0.414 -0.0194 -0.93 0.387 -0.0187 -1.13 -1.4503 -0.9952 3030646 ChemDiv3_009552 Cn1nc(c2ccc(Cl)cc2)c3cc(sc13)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C05 compound treatment 0.418 -0.0154 -0.73 0.391 -0.0147 -0.89 -1.1452 -0.9957 3121351 ChemDiv3_009553 CC(C)NC(=O)CCn1c(=O)oc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C06 compound treatment 0.429 -0.00441 -0.21 0.402 -0.0037 -0.22 -0.3061 -0.9996 3121352 ChemDiv3_009554 Clc1ccc2nc3CCCCc3c(SCC(=O)NCCN4CCOCC4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C07 compound treatment 0.426 -0.00741 -0.35 0.409 0.0033 0.2 -0.1092 -0.2694 3030650 ChemDiv3_009555 O=C(CCn1c(=O)sc2ccccc12)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C08 compound treatment 0.434 5.94E-4 0.03 0.4 -0.0057 -0.34 -0.2227 -0.6466 3121353 ChemDiv3_009556 CC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C09 compound treatment 0.527 0.0936 4.46 0.506 0.1 6.04 7.4251 0.9889 3121354 ChemDiv3_009557 CC(C1Sc2ccccc2N(Cc3cc(C)ccc3C)C1=O)C(=O)NCCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C10 compound treatment 0.427 -0.00641 -0.31 0.398 -0.0077 -0.46 -0.5438 -0.9795 3030655 ChemDiv3_009558 CCc1ccc(cc1)n2c(nc3ccccc3c2=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C11 compound treatment 0.427 -0.00641 -0.31 0.403 -0.0027 -0.16 -0.3309 -0.9564 3030656 ChemDiv3_009559 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)N4CCN(CC4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C12 compound treatment 0.468 0.0346 1.65 0.453 0.0473 2.85 3.1799 0.9663 3121355 ChemDiv3_009560 CC1Cc2ccccc2N1S(=O)(=O)c3ccc4n(C)c(=O)c(=O)n(C)c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C13 compound treatment 0.436 0.00259 0.12 0.414 0.0083 0.5 0.4408 0.8562 3121356 ChemDiv3_009561 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C14 compound treatment 0.423 -0.0104 -0.5 0.404 -0.0017 -0.1 -0.4231 -0.8354 3030662 ChemDiv3_009562 CC1CCC(CC1)NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C15 compound treatment 0.424 -0.00941 -0.45 0.393 -0.0127 -0.76 -0.8578 -0.9677 3121357 ChemDiv3_009563 CCC(C)NC(=O)CSc1c2CCCCc2nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C16 compound treatment 0.431 -0.00241 -0.11 0.391 -0.0147 -0.89 -0.707 -0.7921 3121358 ChemDiv3_009564 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCN3CCC(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C17 compound treatment 0.448 0.0146 0.7 0.419 0.0133 0.8 1.0582 0.9975 3030711 ChemDiv3_009565 CCc1ccc(Nc2c3CCCCc3nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C18 compound treatment 0.431 -0.00241 -0.11 0.398 -0.0077 -0.46 -0.4089 -0.8562 3121359 ChemDiv3_009566 CC1CCN(CC1)S(=O)(=O)c2ccc3n(C)cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C19 compound treatment 0.498 0.0646 3.08 0.487 0.0813 4.9 5.6386 0.975 3030714 ChemDiv3_009567 Fc1cccc2sc(NCc3ccccc3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C20 compound treatment 0.418 -0.0154 -0.73 0.399 -0.0067 -0.4 -0.8046 -0.9602 3121360 ChemDiv3_009568 CCn1cc(C(=O)NCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C21 compound treatment 0.423 -0.0104 -0.5 0.388 -0.0177 -1.07 -1.1043 -0.9395 3030717 ChemDiv3_009569 Fc1ccc2nc(Nc3nnc(o3)c4ccco4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C22 compound treatment 0.406 -0.0274 -1.31 0.379 -0.0267 -1.61 -2.0605 -0.9947 3121361 ChemDiv3_009570 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)NCCN3CCCCCC3)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C23 mock treatment 0.412 -0.0214 -1.02 0.379 -0.0267 -1.61 -1.8583 -0.9759 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 C24 mock treatment 0.419 -0.0144 -0.69 0.389 -0.0167 -1.01 -1.1966 -0.9827 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D01 compound treatment 0.471 0.0376 1.79 0.453 0.0473 2.85 3.281 0.9751 3030721 ChemDiv3_009571 CC(C)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D02 compound treatment 0.435 0.00159 0.08 0.4 -0.0057 -0.34 -0.189 -0.5376 3121362 ChemDiv3_009572 CCCNC(=O)c1cc(C)nn1c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D03 compound treatment 0.445 0.0116 0.55 0.415 0.0093 0.56 0.7867 1.0 3030724 ChemDiv3_009573 Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D04 compound treatment 0.442 0.00859 0.41 0.416 0.0103 0.62 0.7282 0.9797 3121363 ChemDiv3_009574 CC1=C(C(=O)NCc2ccco2)C3(CCCCC3)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D05 compound treatment 0.439 0.00559 0.27 0.414 0.0083 0.5 0.5419 0.9567 3121364 ChemDiv3_009575 Clc1cccc(Cl)c1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D06 compound treatment 0.435 0.00159 0.08 0.396 -0.0097 -0.58 -0.3593 -0.61 3029682 ChemDiv3_009576 CC1=C(C(=O)N2CCCCC2)C3(CCCCC3)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D07 compound treatment 0.447 0.0136 0.65 0.429 0.0233 1.4 1.4502 0.9384 3121365 ChemDiv3_009577 Cc1oc(nc1CN2CCC(CC2)C(=O)NCCCN3CCCC3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D08 compound treatment 0.454 0.0206 0.98 0.426 0.0203 1.22 1.5584 0.9941 3121366 ChemDiv3_009578 COc1ccc(cc1OC)c2c(C)nn3c(cc(C)nc23)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D09 compound treatment 0.437 0.00359 0.17 0.423 0.0173 1.04 0.8577 0.8125 3029686 ChemDiv3_009579 CSc1ccc(cc1)c2nc(CSCC(=O)N3CCCC3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D10 compound treatment 0.433 -4.06E-4 -0.02 0.421 0.0153 0.92 0.6377 0.6921 3029687 ChemDiv3_009580 CNC(=O)c1sc2nc(cn2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D11 compound treatment 0.438 0.00459 0.22 0.44 0.0343 2.07 1.6152 0.7777 3121367 ChemDiv3_009581 Cc1oc(nc1CSCC(=O)N2CCC3(CC2)OCCO3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D12 compound treatment 0.438 0.00459 0.22 0.429 0.0233 1.4 1.1468 0.8077 3121368 ChemDiv3_009582 Cc1cc2cc(CNC(=O)C3(CC4CC5CC(C4)C3)C5)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D13 compound treatment 0.439 0.00559 0.27 0.437 0.0313 1.88 1.5211 0.7992 3029691 ChemDiv3_009583 Cc1oc(nc1CS(=O)CC(=O)NC2CCCCCC2)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D14 compound treatment 0.459 0.0256 1.22 0.448 0.0423 2.55 2.6636 0.9432 3121369 ChemDiv3_009584 Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D15 compound treatment 0.448 0.0146 0.7 0.433 0.0273 1.64 1.6542 0.9268 3121370 ChemDiv3_009585 CN(Cc1ccccc1)C(=O)CS(=O)Cc2nc(oc2C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D16 compound treatment 0.495 0.0616 2.94 0.476 0.0703 4.23 5.0692 0.984 3029749 ChemDiv3_009586 Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D17 compound treatment 0.447 0.0136 0.65 0.427 0.0213 1.28 1.3651 0.95 3121371 ChemDiv3_009587 COC(CNC(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4ccccc4F)c2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D18 compound treatment 0.481 0.0476 2.27 0.478 0.0723 4.35 4.6824 0.9539 3029751 ChemDiv3_009588 FC(F)(F)c1ccc(cc1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D19 compound treatment 0.49 0.0566 2.7 0.489 0.0833 5.02 5.4541 0.9577 3121372 ChemDiv3_009589 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D20 compound treatment 0.443 0.00959 0.46 0.413 0.0073 0.44 0.6342 0.9998 3029753 ChemDiv3_009590 Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D21 compound treatment 0.432 -0.00141 -0.07 0.396 -0.0097 -0.58 -0.4604 -0.7831 3121373 ChemDiv3_009591 CN(C)CCNC(=O)c1ccc2c(c1)N(Cc3cc(C)ccc3C)C(=O)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D22 compound treatment 0.427 -0.00641 -0.31 0.4 -0.0057 -0.34 -0.4586 -0.9983 3029756 ChemDiv3_009592 CNC(=S)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D23 mock treatment 0.438 0.00459 0.22 0.402 -0.0037 -0.22 -0.0027 -0.0086 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 D24 mock treatment 0.427 -0.00641 -0.31 0.403 -0.0027 -0.16 -0.3309 -0.9564 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E01 compound treatment 0.436 0.00259 0.12 0.427 0.0213 1.28 0.9943 0.7717 3121547 ChemDiv3_009593 CC1CC(C)CN(C1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3cccc4nsnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E02 compound treatment 0.488 0.0546 2.6 0.479 0.0733 4.41 4.961 0.9683 3029759 ChemDiv3_009594 C1Oc2cc3nc(sc3cc2O1)N4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E03 compound treatment 0.478 0.0446 2.13 0.464 0.0583 3.51 3.9853 0.9711 3121548 ChemDiv3_009595 Cc1cc(N)nn1C(=O)Cn2c(=O)n(CC=C)c(=O)c3ccc(cc23)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E04 compound treatment 0.488 0.0546 2.6 0.479 0.0733 4.41 4.961 0.9683 3029762 ChemDiv3_009596 CCCCN(CC)C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E05 compound treatment 0.446 0.0126 0.6 0.416 0.0103 0.62 0.863 0.9999 3121549 ChemDiv3_009597 CC1CC(CC(C)(C)C1)NC(=O)CCn2c(=O)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E06 compound treatment 0.45 0.0166 0.79 0.426 0.0203 1.22 1.4236 0.9778 3029765 ChemDiv3_009598 Clc1ccc2nc3CCCCc3c(SCC(=O)NCc4ccccn4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E07 compound treatment 0.44 0.00659 0.31 0.444 0.0383 2.31 1.8529 0.7961 3029822 ChemDiv3_009599 O=C(CCn1c(=O)sc2ccccc12)NCCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E08 compound treatment 0.44 0.00659 0.31 0.429 0.0233 1.4 1.2143 0.8446 3121550 ChemDiv3_009600 Fc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc4c(F)cccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E09 compound treatment 0.496 0.0626 2.98 0.492 0.0863 5.2 5.7841 0.9653 3029825 ChemDiv3_009601 CC(C1Sc2ccccc2N(Cc3cc(C)ccc3C)C1=O)C(=O)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E10 compound treatment 0.473 0.0396 1.89 0.441 0.0353 2.13 2.8375 0.9982 3121551 ChemDiv3_009602 CC1CN(CCN1c2cccc(C)c2)c3nc4ccccc4c(=O)n3Cc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E11 compound treatment 0.484 0.0506 2.41 0.475 0.0693 4.17 4.6558 0.9661 3121552 ChemDiv3_009603 CCc1ccc(NC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E12 compound treatment 0.506 0.0726 3.46 0.498 0.0923 5.56 6.3766 0.974 3029830 ChemDiv3_009604 CN(c1cccc(C)c1)S(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E13 compound treatment 0.524 0.0906 4.32 0.543 0.137 8.27 8.8992 0.9541 3121553 ChemDiv3_009605 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC4(CCCC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E14 compound treatment 0.432 -0.00141 -0.07 0.419 0.0133 0.8 0.5188 0.6457 3029832 ChemDiv3_009606 CCN(Cc1ccccc1)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E15 compound treatment 0.438 0.00459 0.22 0.445 0.0393 2.37 1.828 0.7693 3121554 ChemDiv3_009607 CN(C1CCCCC1)C(=O)CSc2c3CCCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E16 compound treatment 0.456 0.0226 1.08 0.449 0.0433 2.61 2.6051 0.9235 3029836 ChemDiv3_009608 CN(C)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccccc3)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E17 compound treatment 0.488 0.0546 2.6 0.522 0.116 7.0 6.7917 0.9091 3121555 ChemDiv3_009609 CCc1ccc(cc1)C2CC(=O)N3CN(CSC3=C2C#N)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E18 compound treatment 0.446 0.0126 0.6 0.486 0.0803 4.83 3.8433 0.7889 3121556 ChemDiv3_009610 CC(C)CCNC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E19 compound treatment 0.587 0.154 7.32 0.618 0.212 12.78 14.2159 0.965 3029840 ChemDiv3_009611 CC(C)c1ccc2nc(Nc3nc4ccc(NC(=O)C)cc4s3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E20 compound treatment 0.44 0.00659 0.31 0.433 0.0273 1.64 1.3845 0.8273 3121557 ChemDiv3_009612 CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E21 compound treatment 0.543 0.11 5.22 0.528 0.122 7.36 8.901 0.9859 3029900 ChemDiv3_009613 C1Oc2cc3nc(Nc4nccs4)sc3cc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E22 compound treatment 0.439 0.00559 0.27 0.408 0.0023 0.14 0.2865 0.9534 3121558 ChemDiv3_009614 O=C(N1CCN(CC1)c2ccccc2)c3ccc(CS(=O)c4ccccc4)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E23 mock treatment 0.426 -0.00741 -0.35 0.406 3.0E-4 0.02 -0.2369 -0.6701 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 E24 mock treatment 0.441 0.00759 0.36 0.41 0.0043 0.26 0.439 0.9865 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F01 compound treatment 0.458 0.0246 1.17 0.421 0.0153 0.92 1.4804 0.9929 3121559 ChemDiv3_009615 CC(CCc1ccccc1)NC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F02 compound treatment 0.44 0.00659 0.31 0.4 -0.0057 -0.34 -0.0204 -0.0439 3029905 ChemDiv3_009616 COC(CNC(=O)c1cc(C)nn1c2ccccc2)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F03 compound treatment 0.448 0.0146 0.7 0.421 0.0153 0.92 1.1433 0.9904 3121560 ChemDiv3_009617 CC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F04 compound treatment 0.451 0.0176 0.84 0.425 0.0193 1.16 1.4147 0.9872 3029908 ChemDiv3_009618 CC(C)NC(=O)C1=C(C)C(=O)OC21CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F05 compound treatment 0.448 0.0146 0.7 0.418 0.0123 0.74 1.0156 0.9995 3121561 ChemDiv3_009619 COc1ccc(cc1OC)c2nc(CN3CCC(CC3)C(=O)NC(C)C)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F06 compound treatment 0.449 0.0156 0.74 0.42 0.0143 0.86 1.1344 0.9973 3029911 ChemDiv3_009620 CC1=C(C(=O)N(CC2CCCO2)CC3CCC=CC3)C4(CCCCC4)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F07 compound treatment 0.452 0.0186 0.89 0.428 0.0223 1.34 1.5762 0.9797 3121562 ChemDiv3_009621 COc1ccc(CCNC(=O)C2CCN(Cc3nc(oc3C)c4ccccc4F)CC2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F08 compound treatment 0.461 0.0276 1.32 0.435 0.0293 1.76 2.1776 0.9895 3121563 ChemDiv3_009622 Cc1nn2c(cc(C)nc2c1c3ccc(Cl)cc3)N4CCC(CC4)C(=O)Nc5cccnc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F09 compound treatment 0.475 0.0416 1.98 0.428 0.0223 1.34 2.3514 0.982 3029916 ChemDiv3_009623 CCc1ccc(cc1)c2nc(CSCC(=O)N3CCc4ccccc34)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F10 compound treatment 0.455 0.0216 1.03 0.452 0.0463 2.79 2.6991 0.9083 3121564 ChemDiv3_009624 CN(C1CCCCC1)C(=O)c2sc3nc(cn3c2C)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F11 compound treatment 0.444 0.0106 0.51 0.421 0.0153 0.92 1.0085 0.96 3029919 ChemDiv3_009625 CC1CCCCC1N(C)C2CCN(CCNC(=O)/C=C/c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F12 compound treatment 0.464 0.0306 1.46 0.436 0.0303 1.82 2.3213 0.9938 3121565 ChemDiv3_009626 CCOc1ccccc1C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F13 compound treatment 0.454 0.0206 0.98 0.444 0.0383 2.31 2.3248 0.9276 3121566 ChemDiv3_009627 Cc1oc(nc1CS(=O)CC(=O)NCc2cccs2)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F14 compound treatment 0.457 0.0236 1.12 0.462 0.0563 3.39 3.1922 0.8938 3030556 ChemDiv3_009628 Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F15 compound treatment 0.457 0.0236 1.12 0.475 0.0693 4.17 3.7457 0.8668 3121567 ChemDiv3_009629 CCN1CCN(CC1)C(=O)CS(=O)Cc2nc(oc2C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F16 compound treatment 0.519 0.0856 4.08 0.531 0.125 7.54 8.2198 0.9584 3121568 ChemDiv3_009630 Cc1cc2cc(CNC(=O)Cc3cccc4ccccc34)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F17 compound treatment 0.528 0.0946 4.51 0.545 0.139 8.39 9.1192 0.9576 3030560 ChemDiv3_009631 Fc1ccc(CN2C(=O)c3ccccc3S(=O)c4ccc(cc24)C(=O)NCCc5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F18 compound treatment 0.504 0.0706 3.37 0.526 0.12 7.24 7.5013 0.9392 3121569 ChemDiv3_009632 COc1cc(/C=C\C(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F19 compound treatment 0.449 0.0156 0.74 0.477 0.0713 4.29 3.5612 0.8174 3030600 ChemDiv3_009633 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F20 compound treatment 0.47 0.0366 1.74 0.459 0.0533 3.21 3.5027 0.959 3121570 ChemDiv3_009634 O=S(=O)(NCc1ccc2[nH]c3CCCCc3c2c1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F21 compound treatment 0.449 0.0156 0.74 0.421 0.0153 0.92 1.177 0.9943 3121571 ChemDiv3_009635 O=C(N1CCCCC1)c2ccc3c(c2)N(Cc4ccccc4)C(=O)c5ccccc5S3(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F22 compound treatment 0.489 0.0556 2.65 0.479 0.0733 4.41 4.9947 0.9702 3030607 ChemDiv3_009636 S=C(NCc1ccc2[nH]c3CCCCc3c2c1)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F23 mock treatment 0.437 0.00359 0.17 0.421 0.0153 0.92 0.7725 0.8245 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 F24 mock treatment 0.443 0.00959 0.46 0.416 0.0103 0.62 0.7619 0.9888 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G01 compound treatment 0.433 -4.06E-4 -0.02 0.398 -0.0077 -0.46 -0.3415 -0.736 3121572 ChemDiv3_009637 O=C(NCc1cccs1)C(NS(=O)(=O)c2cccc3nsnc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G02 compound treatment 0.45 0.0166 0.79 0.42 0.0143 0.86 1.1682 0.9991 3030611 ChemDiv3_009638 C1COc2cc3sc(nc3cc2O1)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G03 compound treatment 0.436 0.00259 0.12 0.407 0.0013 0.08 0.1428 0.9757 3121747 ChemDiv3_009639 C=CCn1c(=O)n(Cc2ccccc2C#N)c3cc(ccc3c1=O)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G04 compound treatment 0.458 0.0246 1.17 0.428 0.0223 1.34 1.7784 0.9977 3030665 ChemDiv3_009640 CN(C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3)c4cc(Cl)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G05 compound treatment 0.45 0.0166 0.79 0.418 0.0123 0.74 1.083 0.9995 1628704 ChemDiv3_009641 O=C(CCn1c(=O)oc2ccccc12)NCCC3=CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G06 compound treatment 0.453 0.0196 0.93 0.431 0.0253 1.52 1.7376 0.9724 3121748 ChemDiv3_009642 CCN(CC)C(=O)CSc1c2CCCCc2nc3ccc(Cl)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G07 compound treatment 0.443 0.00959 0.46 0.409 0.0033 0.2 0.4639 0.9303 3030670 ChemDiv3_009643 CCN(C(=O)CCn1c(=O)sc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G08 compound treatment 0.443 0.00959 0.46 0.428 0.0223 1.34 1.2728 0.8973 3121749 ChemDiv3_009644 Clc1ccc(cc1)n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G09 compound treatment 0.475 0.0416 1.98 0.462 0.0563 3.39 3.799 0.9674 3121750 ChemDiv3_009645 CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)Nc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G10 compound treatment 0.442 0.00859 0.41 0.436 0.0303 1.82 1.5797 0.8449 3030674 ChemDiv3_009646 CCOC(=O)c1cn(CC(=O)Nc2ccccc2)nn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G11 compound treatment 0.43 -0.00341 -0.16 0.408 0.0023 0.14 -0.0169 -0.0792 3121751 ChemDiv3_009647 Cn1c(cc2c(=O)[nH]c3ccccc3c12)C(=O)NCCCN4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G12 compound treatment 0.474 0.0406 1.94 0.469 0.0633 3.81 4.0633 0.9506 3030677 ChemDiv3_009648 CCc1ccc(NC(=O)CN(c2ccc3OCOc3c2)S(=O)(=O)c4c(C)noc4C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G13 compound treatment 0.436 0.00259 0.12 0.418 0.0123 0.74 0.6111 0.8139 3121752 ChemDiv3_009649 CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G14 compound treatment 0.449 0.0156 0.74 0.423 0.0173 1.04 1.2622 0.9863 1173384 ChemDiv3_009650 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G15 compound treatment 0.44 0.00659 0.31 0.454 0.0483 2.91 2.2786 0.779 3121753 ChemDiv3_009651 CC1CCN(CC1)C(=O)CSc2c3CCCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G16 compound treatment 0.437 0.00359 0.17 0.436 0.0303 1.82 1.4112 0.7701 3121754 ChemDiv3_009652 CCCN(CCC)C(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G17 compound treatment 0.452 0.0186 0.89 0.48 0.0743 4.47 3.7901 0.8311 3030731 ChemDiv3_009653 CN1CSC2=C(C#N)C(CC(=O)N2C1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G18 compound treatment 0.444 0.0106 0.51 0.484 0.0783 4.71 3.6907 0.7784 3121755 ChemDiv3_009654 CCn1cc(C(=O)N2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G19 compound treatment 0.517 0.0836 3.98 0.555 0.149 8.99 9.1742 0.933 3030735 ChemDiv3_009655 CC(C)c1ccc2nc(Nc3nc4ccc(cc4s3)S(=O)(=O)C)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G20 compound treatment 0.441 0.00759 0.36 0.428 0.0223 1.34 1.2054 0.8668 3121756 ChemDiv3_009656 CCn1cc(C(=O)NC2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G21 compound treatment 0.444 0.0106 0.51 0.419 0.0133 0.8 0.9233 0.9753 3030738 ChemDiv3_009657 COc1cccc2sc(nc12)N3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G22 compound treatment 0.431 -0.00241 -0.11 0.41 0.0043 0.26 0.102 0.3601 3121757 ChemDiv3_009658 O=C(NCc1ccccc1)c2ccc(CS(=O)c3ccccc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G23 mock treatment 0.427 -0.00641 -0.31 0.396 -0.0097 -0.58 -0.6289 -0.9543 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 G24 mock treatment 0.434 5.94E-4 0.03 0.401 -0.0047 -0.28 -0.1801 -0.6332 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H01 compound treatment 0.438 0.00459 0.22 0.402 -0.0037 -0.22 -0.0027 -0.0086 3121758 ChemDiv3_009659 Brc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)NCCN3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H02 compound treatment 0.444 0.0106 0.51 0.409 0.0033 0.2 0.4976 0.9169 3029701 ChemDiv3_009660 CC(C)c1ccc(NC(=O)c2cc(C)nn2c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H03 compound treatment 0.432 -0.00141 -0.07 0.427 0.0213 1.28 0.8594 0.6692 3121759 ChemDiv3_009661 COc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H04 compound treatment 0.432 -0.00141 -0.07 0.406 3.0E-4 0.02 -0.0346 -0.4988 3029705 ChemDiv3_009662 CCCNC(=O)C1=C(C)C(=O)OC21CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H05 compound treatment 0.439 0.00559 0.27 0.422 0.0163 0.98 0.8825 0.8678 3121760 ChemDiv3_009663 Cc1oc(nc1CN2CCC(CC2)C(=O)NC3CCCC3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H06 compound treatment 0.437 0.00359 0.17 0.401 -0.0047 -0.28 -0.079 -0.2387 3029709 ChemDiv3_009664 COC(CNc1cc(C)nc2c(c(C)nn12)c3ccccc3OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H07 compound treatment 0.446 0.0126 0.6 0.418 0.0123 0.74 0.9482 0.9946 3121761 ChemDiv3_009665 Cc1oc(nc1CN2CCCC(C2)C(=O)NCCc3ccc(C)cc3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H08 compound treatment 0.431 -0.00241 -0.11 0.41 0.0043 0.26 0.102 0.3601 3029714 ChemDiv3_009666 Cc1nn2c(cc(C)nc2c1c3ccc(Cl)cc3)N4CCC(CC4)C(=O)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H09 compound treatment 0.466 0.0326 1.55 0.429 0.0233 1.4 2.0907 0.9987 3029766 ChemDiv3_009667 CCc1ccc(cc1)c2nc(CSCC(=O)N3CCc4ccccc4C3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H10 compound treatment 0.441 0.00759 0.36 0.426 0.0203 1.22 1.1202 0.8788 3121762 ChemDiv3_009668 CC1CCN(CC1)C(=O)c2sc3nc(cn3c2C)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H11 compound treatment 0.435 0.00159 0.08 0.417 0.0113 0.68 0.5348 0.7812 3121763 ChemDiv3_009669 CC1CCCCC1N(C)C2CCN(CCCNC(=O)/C=C/c3cccc(c3)C(F)(F)F)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H12 compound treatment 0.451 0.0176 0.84 0.425 0.0193 1.16 1.4147 0.9872 3029773 ChemDiv3_009670 CCOc1cc(cc(OCC)c1OCC)C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H13 compound treatment 0.451 0.0176 0.84 0.439 0.0333 2.0 2.0108 0.9252 3121764 ChemDiv3_009671 Cc1oc(nc1CS(=O)CC(=O)NCCC2=CCCCC2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H14 compound treatment 0.485 0.0516 2.46 0.49 0.0843 5.08 5.3282 0.9447 3029778 ChemDiv3_009672 Cc1cc2cc(CNC(=O)CCC3CCCCC3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H15 compound treatment 0.435 0.00159 0.08 0.482 0.0763 4.59 3.3022 0.7187 3121765 ChemDiv3_009673 CCOC(=O)N1CCC(CC1)NC(=O)CS(=O)(=O)Cc2nc(oc2C)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H16 compound treatment 0.437 0.00359 0.17 0.46 0.0543 3.27 2.4329 0.7431 3029780 ChemDiv3_009674 O=C(CCC1CCCC1)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H17 compound treatment 0.45 0.0166 0.79 0.426 0.0203 1.22 1.4236 0.9778 3121766 ChemDiv3_009675 Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)c4ccc(cc24)C(=O)N5CCCCCC5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H18 compound treatment 0.472 0.0386 1.84 0.487 0.0813 4.9 4.7622 0.9107 3029842 ChemDiv3_009676 Clc1ccc(OCC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H19 compound treatment 0.445 0.0116 0.55 0.44 0.0343 2.07 1.8511 0.8659 3029843 ChemDiv3_009677 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H20 compound treatment 0.426 -0.00741 -0.35 0.41 0.0043 0.26 -0.0666 -0.1521 3121767 ChemDiv3_009678 Cc1cc2cc(CNC(=S)NCc3ccccc3)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H21 compound treatment 0.438 0.00459 0.22 0.417 0.0113 0.68 0.6359 0.8897 3121768 ChemDiv3_009679 Fc1ccc(CN2C(=O)CS(=O)c3ccc(cc23)C(=O)Nc4ccccc4Br)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H22 compound treatment 0.467 0.0336 1.6 0.446 0.0403 2.43 2.8481 0.9797 3029851 ChemDiv3_009680 Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H23 mock treatment 0.442 0.00859 0.41 0.396 -0.0097 -0.58 -0.1233 -0.1728 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 H24 mock treatment 0.421 -0.0124 -0.59 0.41 0.0043 0.26 -0.2351 -0.3642 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I01 compound treatment 0.44 0.00659 0.31 0.422 0.0163 0.98 0.9162 0.8891 3121769 ChemDiv3_009681 O=C(NCc1ccccc1)C(Cc2ccccc2)NS(=O)(=O)c3cccc4nsnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I02 compound treatment 0.451 0.0176 0.84 0.444 0.0383 2.31 2.2237 0.9062 3029855 ChemDiv3_009682 COc1ccc(cc1Cl)n2nc(C(=O)Nc3cc(C)on3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I03 compound treatment 0.438 0.00459 0.22 0.412 0.0063 0.38 0.4231 0.9659 3121770 ChemDiv3_009683 Cc1ccccc1Cn2c(=O)n(Cc3ccco3)c(=O)c4ccc(cc24)C(=O)NC5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I04 compound treatment 0.484 0.0506 2.41 0.457 0.0513 3.09 3.8895 0.9925 3121771 ChemDiv3_009684 CCN(C(=O)c1cc2c(nn(C)c2s1)c3ccc(Cl)cc3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I05 compound treatment 0.441 0.00759 0.36 0.414 0.0083 0.5 0.6093 0.9875 3029925 ChemDiv3_009685 COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I06 compound treatment 0.485 0.0516 2.46 0.449 0.0433 2.61 3.5826 0.9996 3121772 ChemDiv3_009686 Cc1cccc(CCNC(=O)CSc2c3CCCCc3nc4ccc(Cl)cc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I07 compound treatment 0.497 0.0636 3.03 0.486 0.0803 4.83 5.5623 0.9747 3029930 ChemDiv3_009687 CCc1ccccc1NC(=O)CCn2c(=O)sc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I08 compound treatment 0.445 0.0116 0.55 0.434 0.0283 1.7 1.5957 0.8908 3121957 ChemDiv3_009688 O=C(N(CN1CCCC1=O)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I09 compound treatment 0.458 0.0246 1.17 0.46 0.0543 3.27 3.1408 0.9043 3029932 ChemDiv3_009689 COC(=O)c1sc2nc(SCC(=O)N(C)c3ccccc3)n(N)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I10 compound treatment 0.522 0.0886 4.22 0.509 0.103 6.22 7.3843 0.9822 3121958 ChemDiv3_009690 CC1Cc2ccccc2N1C(=O)C3CCN(CC3)S(=O)(=O)c4c(C)noc4/C=C/c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I11 compound treatment 0.513 0.0796 3.79 0.504 0.0983 5.92 6.868 0.9769 3121959 ChemDiv3_009691 COc1ccc(Br)cc1CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I12 compound treatment 0.451 0.0176 0.84 0.43 0.0243 1.46 1.6276 0.9651 3029937 ChemDiv3_009692 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N(CC=C)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I13 compound treatment 0.447 0.0136 0.65 0.422 0.0163 0.98 1.1522 0.9797 3121960 ChemDiv3_009693 Cc1cccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I14 compound treatment 0.461 0.0276 1.32 0.441 0.0353 2.13 2.433 0.9734 3029940 ChemDiv3_009694 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I15 compound treatment 0.449 0.0156 0.74 0.464 0.0583 3.51 3.0077 0.8383 3031103 ChemDiv3_009695 O=C(CSc1c2CCCCc2nc3ccccc13)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I16 compound treatment 0.444 0.0106 0.51 0.416 0.0103 0.62 0.7956 0.9948 3031104 ChemDiv3_009696 Cn1cc(C(=O)N2CCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I17 compound treatment 0.452 0.0186 0.89 0.437 0.0313 1.88 1.9593 0.9408 3031105 ChemDiv3_009697 O=C1CC(C(=C2SCN(Cc3ccccc3)CN12)C#N)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I18 compound treatment 0.452 0.0186 0.89 0.444 0.0383 2.31 2.2574 0.9137 3031106 ChemDiv3_009698 CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I19 compound treatment 0.551 0.118 5.61 0.538 0.132 7.97 9.5964 0.9852 3031107 ChemDiv3_009699 CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I20 compound treatment 0.442 0.00859 0.41 0.418 0.0123 0.74 0.8133 0.961 3031108 ChemDiv3_009700 CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(ccc12)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I21 compound treatment 0.435 0.00159 0.08 0.414 0.0083 0.5 0.4071 0.8054 3031109 ChemDiv3_009701 COc1cccc2sc(nc12)N(C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I22 compound treatment 0.445 0.0116 0.55 0.411 0.0053 0.32 0.6164 0.9659 3121961 ChemDiv3_009702 COC(CNC(=O)c1ccc(CS(=O)c2ccccc2)o1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I23 mock treatment 0.433 -4.06E-4 -0.02 0.407 0.0013 0.08 0.0417 0.5166 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 I24 mock treatment 0.434 5.94E-4 0.03 0.44 0.0343 2.07 1.4803 0.7167 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J01 compound treatment 0.435 0.00159 0.08 0.413 0.0073 0.44 0.3645 0.8172 3121962 ChemDiv3_009703 COc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J02 compound treatment 0.43 -0.00341 -0.16 0.404 -0.0017 -0.1 -0.1872 -0.9753 3031110 ChemDiv3_009704 Cc1cc(C(=O)NCCCN2CCN(CC2)c3ccccc3F)n(n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J03 compound treatment 0.432 -0.00141 -0.07 0.4 -0.0057 -0.34 -0.2901 -0.8295 3121963 ChemDiv3_009705 COc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)NC(C)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J04 compound treatment 0.445 0.0116 0.55 0.421 0.0153 0.92 1.0422 0.9701 3031111 ChemDiv3_009706 CCc1cccc(NC(=O)C2=C(C)C(=O)OC32CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J05 compound treatment 0.441 0.00759 0.36 0.421 0.0153 0.92 0.9074 0.9167 3121964 ChemDiv3_009707 COC(CNC(=O)C1CCN(Cc2nc(oc2C)c3ccc(Cl)cc3)CC1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J06 compound treatment 0.444 0.0106 0.51 0.409 0.0033 0.2 0.4976 0.9169 3121965 ChemDiv3_009708 COc1ccccc1c2c(C)nn3c(NCCCN4CCCC4=O)cc(C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J07 compound treatment 0.438 0.00459 0.22 0.431 0.0253 1.52 1.232 0.8005 3121966 ChemDiv3_009709 Cc1oc(nc1CN2CCCC(C2)C(=O)NC3CCCc4ccccc34)c5cccc(Cl)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J08 compound treatment 0.429 -0.00441 -0.21 0.411 0.0053 0.32 0.0771 0.2019 3031112 ChemDiv3_009710 O=C(NC1CCCCC1)C2N(CCCN3CCCC3=O)C(=O)Cn4cccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J09 compound treatment 0.437 0.00359 0.17 0.414 0.0083 0.5 0.4745 0.8982 3121967 ChemDiv3_009711 CCc1ccc(cc1)c2nc(CSCC(=O)NCc3ccccc3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J10 compound treatment 0.453 0.0196 0.93 0.427 0.0213 1.28 1.5673 0.9879 3031113 ChemDiv3_009712 CCOC(=O)C1CCCN(C1)C(=O)c2sc3nc(cn3c2C)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J11 compound treatment 0.434 5.94E-4 0.03 0.413 0.0073 0.44 0.3308 0.7511 3121968 ChemDiv3_009713 CC1CCCCC1N(C)C2CCN(CCCNC(=O)/C=C/c3ccccc3Cl)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J12 compound treatment 0.44 0.00659 0.31 0.41 0.0043 0.26 0.4053 0.9954 3031114 ChemDiv3_009714 Cc1cc2cc(CNC(=O)c3ccccc3C(F)(F)F)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J13 compound treatment 0.438 0.00459 0.22 0.406 3.0E-4 0.02 0.1676 0.7628 3121969 ChemDiv3_009715 CC1CCCCN1CCNC(=O)CS(=O)Cc2nc(oc2C)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J14 compound treatment 0.454 0.0206 0.98 0.433 0.0273 1.64 1.8565 0.9696 3121970 ChemDiv3_009716 Cc1cc2cc(CNC(=O)C3(CC4CC5CC(C4)C3)C5)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J15 compound treatment 0.439 0.00559 0.27 0.412 0.0063 0.38 0.4568 0.9851 3031115 ChemDiv3_009717 Cc1oc(nc1CS(=O)(=O)CC(=O)NCC2CCCO2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J16 compound treatment 0.449 0.0156 0.74 0.415 0.0093 0.56 0.9216 0.9902 3121971 ChemDiv3_009718 Cc1ccc(cc1C)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J17 compound treatment 0.438 0.00459 0.22 0.423 0.0173 1.04 0.8914 0.8375 3121972 ChemDiv3_009719 COC(CNC(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4cc(C)ccc4C)c2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J18 compound treatment 0.435 0.00159 0.08 0.418 0.0123 0.74 0.5774 0.7756 3031116 ChemDiv3_009720 COc1ccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J19 compound treatment 0.437 0.00359 0.17 0.41 0.0043 0.26 0.3042 0.9799 3121973 ChemDiv3_009721 CCN1C(=O)c2ccccc2S(=O)(=O)c3ccc(cc13)C(=O)NCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J20 compound treatment 0.436 0.00259 0.12 0.426 0.0203 1.22 0.9517 0.7747 3031117 ChemDiv3_009722 Cc1cc2cc(CNC(=S)Nc3cccc(C)c3C)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J21 compound treatment 0.491 0.0576 2.75 0.457 0.0513 3.09 4.1254 0.9983 3121974 ChemDiv3_009723 CCOc1ccc(OCC)c(NC(=O)c2ccc3S(=O)CC(=O)N(Cc4ccccc4)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J22 compound treatment 0.45 0.0166 0.79 0.431 0.0253 1.52 1.6365 0.9534 3031118 ChemDiv3_009724 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J23 mock treatment 0.431 -0.00241 -0.11 0.401 -0.0047 -0.28 -0.2812 -0.9209 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 J24 mock treatment 0.428 -0.00541 -0.26 0.411 0.0053 0.32 0.0434 0.1058 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K01 compound treatment 0.481 0.0476 2.27 0.475 0.0693 4.17 4.5547 0.959 3121975 ChemDiv3_009725 CC1=CC2=NC(=O)/C(=C\c3ccco3)/C(=N)N2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K02 compound treatment 0.474 0.0406 1.94 0.436 0.0303 1.82 2.6583 0.9996 3121976 ChemDiv3_009726 COc1ccc(cc1Cl)n2nc(C(=O)NCc3ccc(C)cc3)c4c5ccccc5n(C)c4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K03 compound treatment 0.468 0.0346 1.65 0.412 0.0063 0.38 1.4343 0.8476 3031119 ChemDiv3_009727 Cc1ccccc1Cn2c(=O)n(Cc3ccco3)c(=O)c4ccc(cc24)C(=O)NCCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K04 compound treatment 0.44 0.00659 0.31 0.445 0.0393 2.37 1.8954 0.7941 3121977 ChemDiv3_009728 COc1ccccc1NC(=O)CSc2c3CCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K05 compound treatment 0.444 0.0106 0.51 0.416 0.0103 0.62 0.7956 0.9948 3031120 ChemDiv3_009729 CN(C(=O)CCn1c(=O)oc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K06 compound treatment 0.442 0.00859 0.41 0.412 0.0063 0.38 0.5579 0.9993 3121978 ChemDiv3_009730 Clc1cccc(c1)N2CCN(CC2)c3c4CCCc4nc5ccc(Cl)cc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K07 compound treatment 0.461 0.0276 1.32 0.423 0.0173 1.04 1.6667 0.9933 3121979 ChemDiv3_009731 N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc5ccc(C#N)cc5)c43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K08 compound treatment 0.449 0.0156 0.74 0.428 0.0223 1.34 1.475 0.9611 3031121 ChemDiv3_009732 COc1ccccc1N(CN2CCCC2=O)C(=O)COc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K09 compound treatment 0.452 0.0186 0.89 0.41 0.0043 0.26 0.8098 0.877 3121980 ChemDiv3_009733 CCOC(=O)c1sc2nc(SCC(=O)Nc3ccc(OCC)cc3)n(N)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K10 compound treatment 0.448 0.0146 0.7 0.455 0.0493 2.97 2.5909 0.8498 3031122 ChemDiv3_009734 Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K11 compound treatment 0.438 0.00459 0.22 0.41 0.0043 0.26 0.3379 0.9965 3121981 ChemDiv3_009735 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)Nc4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K12 compound treatment 0.449 0.0156 0.74 0.429 0.0233 1.4 1.5176 0.9559 3031123 ChemDiv3_009736 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K13 compound treatment 0.444 0.0106 0.51 0.411 0.0053 0.32 0.5827 0.9755 3121982 ChemDiv3_009737 CCOC(=O)N1CCC(CC1)NC(=O)c2cc3c(nn(C)c3s2)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K14 compound treatment 0.445 0.0116 0.55 0.451 0.0453 2.73 2.3194 0.8334 3031124 ChemDiv3_009738 Cc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K15 compound treatment 0.449 0.0156 0.74 0.427 0.0213 1.28 1.4325 0.9664 3122163 ChemDiv3_009739 O=C(CSc1c2CCCCc2nc3ccccc13)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K16 compound treatment 0.455 0.0216 1.03 0.437 0.0313 1.88 2.0605 0.9595 3122164 ChemDiv3_009740 Cn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K17 compound treatment 0.448 0.0146 0.7 0.43 0.0243 1.46 1.5265 0.9422 3031125 ChemDiv3_009741 COc1ccccc1C2CC(=O)N3CN(CSC3=C2C#N)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K18 compound treatment 0.451 0.0176 0.84 0.427 0.0213 1.28 1.4999 0.9788 3122165 ChemDiv3_009742 CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K19 compound treatment 0.43 -0.00341 -0.16 0.411 0.0053 0.32 0.1108 0.3095 1618758 ChemDiv3_009743 COc1ccc2nc(Nc3ccccc3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K20 compound treatment 0.458 0.0246 1.17 0.423 0.0173 1.04 1.5655 0.9983 3122166 ChemDiv3_009744 CCC(C)NC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K21 compound treatment 0.444 0.0106 0.51 0.407 0.0013 0.08 0.4124 0.8071 3031126 ChemDiv3_009745 Clc1cccc2sc(nc12)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K22 compound treatment 0.442 0.00859 0.41 0.413 0.0073 0.44 0.6005 0.9994 3122167 ChemDiv3_009746 O=C(NCCCN1CCCC1)c2ccc(CS(=O)c3ccccc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K23 mock treatment 0.435 0.00159 0.08 0.399 -0.0067 -0.4 -0.2315 -0.564 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 K24 mock treatment 0.445 0.0116 0.55 0.421 0.0153 0.92 1.0422 0.9701 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L01 compound treatment 0.455 0.0216 1.03 0.432 0.0263 1.58 1.8476 0.9782 3031127 ChemDiv3_009747 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L02 compound treatment 0.455 0.0216 1.03 0.449 0.0433 2.61 2.5714 0.9174 3122168 ChemDiv3_009748 CCOc1ccc(CCNC(=O)C2=C(C)C(=O)OC32CCC(C)CC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L03 compound treatment 0.448 0.0146 0.7 0.423 0.0173 1.04 1.2285 0.9807 3122169 ChemDiv3_009749 FC(F)(F)c1cccc(c1)S(=O)(=O)Cc2ccc(o2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L04 compound treatment 0.449 0.0156 0.74 0.439 0.0333 2.0 1.9434 0.9088 3031128 ChemDiv3_009750 CC1=C(C(=O)Nc2ccc(C)cc2)C3(CCCCC3)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L05 compound treatment 0.445 0.0116 0.55 0.418 0.0123 0.74 0.9145 0.9896 3122170 ChemDiv3_009751 CC(CCc1ccccc1)NC(=O)C2CCN(Cc3nc(oc3C)c4ccc(Cl)cc4)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L06 compound treatment 0.453 0.0196 0.93 0.418 0.0123 0.74 1.1841 0.9934 3031129 ChemDiv3_009752 CCCN(CCC)CCNc1cc(C)nc2c(c(C)nn12)c3ccccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L07 compound treatment 0.446 0.0126 0.6 0.426 0.0203 1.22 1.2888 0.9464 3122171 ChemDiv3_009753 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(Cc3nc(oc3C)c4cccc(C)c4)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L08 compound treatment 0.448 0.0146 0.7 0.439 0.0333 2.0 1.9097 0.8998 3031130 ChemDiv3_009754 CCCN(CCC)C(=O)c1sc2nc(cn2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L09 compound treatment 0.455 0.0216 1.03 0.429 0.0233 1.4 1.7199 0.9884 3122172 ChemDiv3_009755 CCc1ccc(cc1)c2nc(CSCC(=O)NC3CC3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L10 compound treatment 0.448 0.0146 0.7 0.418 0.0123 0.74 1.0156 0.9995 3122173 ChemDiv3_009756 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L11 compound treatment 0.447 0.0136 0.65 0.445 0.0393 2.37 2.1314 0.8688 3031131 ChemDiv3_009757 CN(C1CCCC1)C2CCN(CC2)C(=O)CNC(=O)/C=C/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L12 compound treatment 0.481 0.0476 2.27 0.48 0.0743 4.47 4.7676 0.9505 3122174 ChemDiv3_009758 Cc1cc2cc(CNC(=O)c3ccc4ccccc4c3)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L13 compound treatment 0.454 0.0206 0.98 0.432 0.0263 1.58 1.8139 0.9736 3122175 ChemDiv3_009759 Cc1oc(nc1CS(=O)CC(=O)N2CCC3(CC2)OCCO3)c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L14 compound treatment 0.45 0.0166 0.79 0.414 0.0083 0.5 0.9127 0.9755 3031132 ChemDiv3_009760 Cc1cc2cc(CNC(=O)c3ccc(C)cc3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L15 compound treatment 0.47 0.0366 1.74 0.468 0.0623 3.75 3.8859 0.9393 3122176 ChemDiv3_009761 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)Nc3ccccc3C)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L16 compound treatment 0.454 0.0206 0.98 0.446 0.0403 2.43 2.4099 0.9207 3031133 ChemDiv3_009762 COc1ccccc1C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L17 compound treatment 0.45 0.0166 0.79 0.455 0.0493 2.97 2.6583 0.8653 3122177 ChemDiv3_009763 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)N(C)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L18 compound treatment 0.462 0.0286 1.36 0.445 0.0393 2.37 2.637 0.9657 3031134 ChemDiv3_009764 Clc1ccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L19 compound treatment 0.471 0.0376 1.79 0.459 0.0533 3.21 3.5364 0.9621 3122178 ChemDiv3_009765 CCCN(CCC)C(=O)c1ccc2c(c1)N(Cc3ccccc3F)C(=O)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L20 compound treatment 0.463 0.0296 1.41 0.441 0.0353 2.13 2.5004 0.9802 3031135 ChemDiv3_009766 COc1ccc(OC)c(NC(=S)NCc2ccc3[nH]c(C)cc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L21 compound treatment 0.445 0.0116 0.55 0.407 0.0013 0.08 0.4461 0.7993 3122179 ChemDiv3_009767 O=C(N1CCCCC1)c2ccc3S(=O)CC(=O)N(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L22 compound treatment 0.434 5.94E-4 0.03 0.405 -7.0E-4 -0.04 -0.0098 -0.1928 3122180 ChemDiv3_009768 Cn1c(=O)cc(OCC(=O)NCCC2=CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L23 mock treatment 0.447 0.0136 0.65 0.407 0.0013 0.08 0.5136 0.7868 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 L24 mock treatment 0.434 5.94E-4 0.03 0.42 0.0143 0.86 0.6288 0.73 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M01 compound treatment 0.446 0.0126 0.6 0.41 0.0043 0.26 0.6076 0.9293 3031281 ChemDiv3_009769 COc1cccc(CN2CCN(Cc3ccc(F)cc3)C2c4ccc(SC)cc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M02 compound treatment 0.431 -0.00241 -0.11 0.414 0.0083 0.5 0.2723 0.531 3031282 ChemDiv3_009770 CCc1ccc(Nc2c3CCCc3nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M03 compound treatment 0.436 0.00259 0.12 0.416 0.0103 0.62 0.5259 0.8317 3031284 ChemDiv3_009771 CC(C)CN(CC(C)C)C(=O)CCn1c(=O)oc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M04 compound treatment 0.528 0.0946 4.51 0.453 0.0473 2.85 5.2023 0.9754 3031285 ChemDiv3_009772 Clc1cccc(NC(=O)CSc2c3CCCc3nc4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M05 compound treatment 0.445 0.0116 0.55 0.421 0.0153 0.92 1.0422 0.9701 3031287 ChemDiv3_009773 CC1Cc2ccccc2N1C(=O)CCn3c(=O)oc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M06 compound treatment 0.444 0.0106 0.51 0.434 0.0283 1.7 1.562 0.8789 3031288 ChemDiv3_009774 NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M07 compound treatment 0.482 0.0486 2.32 0.442 0.0363 2.19 3.1834 0.9996 3122181 ChemDiv3_009775 CC(C1Sc2ccccc2N(Cc3cccc(Cl)c3)C1=O)C(=O)NC4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M08 compound treatment 0.47 0.0366 1.74 0.433 0.0273 1.64 2.3958 0.9996 3031290 ChemDiv3_009776 CC1CC(C)CN(C1)c2nc3ccccc3c(=O)n2c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M09 compound treatment 0.441 0.00759 0.36 0.407 0.0013 0.08 0.3113 0.8406 3122182 ChemDiv3_009777 Cn1c(=O)c2cc(sc2c3ccc(Cl)cc13)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M10 compound treatment 0.437 0.00359 0.17 0.421 0.0153 0.92 0.7725 0.8245 3031292 ChemDiv3_009778 CCCNS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M11 compound treatment 0.435 0.00159 0.08 0.415 0.0093 0.56 0.4497 0.7958 3122183 ChemDiv3_009779 Cn1c(=O)c2cc(sc2c3ccccc13)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M12 compound treatment 0.443 0.00959 0.46 0.413 0.0073 0.44 0.6342 0.9998 3031294 ChemDiv3_009780 COC(CN(C)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M13 compound treatment 0.428 -0.00541 -0.26 0.39 -0.0157 -0.95 -0.8507 -0.8682 3122184 ChemDiv3_009781 Cn1nc(c2ccccc2F)c3cc(sc13)C(=O)NCCCN4CCN(CC4)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M14 compound treatment 0.446 0.0126 0.6 0.419 0.0133 0.8 0.9907 0.9899 3122185 ChemDiv3_009782 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCCN3CCN(CC3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M15 compound treatment 0.488 0.0546 2.6 0.453 0.0473 2.85 3.854 0.999 3031297 ChemDiv3_009783 CCc1ccc(NC(=O)CSc2c3CCCCc3nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M16 compound treatment 0.445 0.0116 0.55 0.429 0.0233 1.4 1.3828 0.9171 3122186 ChemDiv3_009784 Cn1cc(C(=O)NCc2cccs2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M17 compound treatment 0.489 0.0556 2.65 0.463 0.0573 3.45 4.3135 0.9915 3031298 ChemDiv3_009785 COc1cccc2sc(Nc3sc4CCCCc4c3C(=O)N)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M18 compound treatment 0.448 0.0146 0.7 0.423 0.0173 1.04 1.2285 0.9807 3122187 ChemDiv3_009786 CCn1cc(C(=O)NC2CCCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M19 compound treatment 0.431 -0.00241 -0.11 0.405 -7.0E-4 -0.04 -0.1109 -0.9076 3031358 ChemDiv3_009787 COc1ccc2nc(Nc3nnc(o3)c4ccccc4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M20 compound treatment 0.466 0.0326 1.55 0.429 0.0233 1.4 2.0907 0.9987 3031359 ChemDiv3_009788 CCn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M21 compound treatment 0.467 0.0336 1.6 0.439 0.0333 2.0 2.5501 0.9938 1644633 ChemDiv3_009789 CCOc1ccc2nc(sc2c1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M22 compound treatment 0.436 0.00259 0.12 0.407 0.0013 0.08 0.1428 0.9757 3031361 ChemDiv3_009790 Clc1ccc(cc1)S(=O)Cc2ccc(o2)C(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M23 mock treatment 0.433 -4.06E-4 -0.02 0.404 -0.0017 -0.1 -0.0861 -0.8262 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 M24 mock treatment 0.441 0.00759 0.36 0.417 0.0113 0.68 0.7371 0.9564 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N01 compound treatment 0.457 0.0236 1.12 0.413 0.0073 0.44 1.1061 0.916 3031362 ChemDiv3_009791 Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N02 compound treatment 0.437 0.00359 0.17 0.403 -0.0027 -0.16 0.0062 0.0262 3031364 ChemDiv3_009792 CC1CCC2(CC1)OC(=O)C(=C2C(=O)N(C)Cc3ccccc3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N03 compound treatment 0.459 0.0256 1.22 0.455 0.0493 2.97 2.9616 0.9228 3031365 ChemDiv3_009793 FC(F)(F)c1cccc(c1)S(=O)(=O)Cc2ccc(o2)C(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N04 compound treatment 0.431 -0.00241 -0.11 0.416 0.0103 0.62 0.3574 0.5667 3122188 ChemDiv3_009794 CC1=C(C(=O)NC2CCCCC2)C3(CCCCC3)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N05 compound treatment 0.443 0.00959 0.46 0.43 0.0243 1.46 1.3579 0.8859 3122374 ChemDiv3_009795 Cc1oc(nc1CN2CCC(CC2)C(=O)NCc3ccco3)c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N06 compound treatment 0.448 0.0146 0.7 0.424 0.0183 1.1 1.271 0.9754 3031367 ChemDiv3_009796 COc1ccccc1c2c(C)nn3c(NCCN4CCCCC4C)cc(C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N07 compound treatment 0.443 0.00959 0.46 0.438 0.0323 1.94 1.6985 0.8502 3122375 ChemDiv3_009797 COc1ccc(cc1OC)c2nc(CSCC(=O)N(C)Cc3ccccc3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N08 compound treatment 0.437 0.00359 0.17 0.425 0.0193 1.16 0.9428 0.8027 3122376 ChemDiv3_009798 CCC1CCCCN1C(=O)c2sc3nc(cn3c2C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N09 compound treatment 0.441 0.00759 0.36 0.439 0.0333 2.0 1.6737 0.8215 3031371 ChemDiv3_009799 CCc1ccc(cc1)c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N10 compound treatment 0.445 0.0116 0.55 0.418 0.0123 0.74 0.9145 0.9896 3122377 ChemDiv3_009800 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N11 compound treatment 0.444 0.0106 0.51 0.432 0.0263 1.58 1.4768 0.8885 3031373 ChemDiv3_009801 COc1ccc(cc1)c2nc(CS(=O)CC(=O)N3CCCC3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N12 compound treatment 0.445 0.0116 0.55 0.425 0.0193 1.16 1.2125 0.9423 3122378 ChemDiv3_009802 Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N13 compound treatment 0.454 0.0206 0.98 0.441 0.0353 2.13 2.1971 0.9384 3031374 ChemDiv3_009803 CC(C)NC(=O)CS(=O)Cc1nc(oc1C)c2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N14 compound treatment 0.514 0.0806 3.84 0.511 0.105 6.34 7.1997 0.9712 3122379 ChemDiv3_009804 Cc1cc2cc(CNC(=O)/C=C\c3ccc4OCOc4c3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N15 compound treatment 0.507 0.0736 3.51 0.485 0.0793 4.77 5.8568 0.9885 3122380 ChemDiv3_009805 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)NCCc3ccccc3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N16 compound treatment 0.449 0.0156 0.74 0.437 0.0313 1.88 1.8582 0.9172 3031376 ChemDiv3_009806 COc1cccc(c1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N17 compound treatment 0.452 0.0186 0.89 0.436 0.0303 1.82 1.9168 0.945 3122381 ChemDiv3_009807 CCCCN(C)C(=O)c1ccc2S(=O)c3ccccc3C(=O)N(CC)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N18 compound treatment 0.44 0.00659 0.31 0.421 0.0153 0.92 0.8737 0.8976 3031378 ChemDiv3_009808 Cc1cccc(CC(=O)NCc2ccc3[nH]c4CCCCc4c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N19 compound treatment 0.446 0.0126 0.6 0.45 0.0443 2.67 2.3106 0.8451 3122382 ChemDiv3_009809 CC(C)NC(=O)c1ccc2c(c1)N(Cc3ccccc3F)C(=O)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N20 compound treatment 0.445 0.0116 0.55 0.43 0.0243 1.46 1.4254 0.9114 3122383 ChemDiv3_009810 Cc1cc2cc(CNC(=S)NC(C)(C)C)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N21 compound treatment 0.449 0.0156 0.74 0.423 0.0173 1.04 1.2622 0.9863 3031380 ChemDiv3_009811 COc1ccc(NC(=O)c2cc(C)nn2c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N22 compound treatment 0.437 0.00359 0.17 0.393 -0.0127 -0.76 -0.4196 -0.5354 3122384 ChemDiv3_009812 Cn1c(=O)cc(OCC(=O)N2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N23 mock treatment 0.44 0.00659 0.31 0.398 -0.0077 -0.46 -0.1056 -0.1885 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 N24 mock treatment 0.428 -0.00541 -0.26 0.402 -0.0037 -0.22 -0.3398 -0.9974 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O01 compound treatment 0.438 0.00459 0.22 0.402 -0.0037 -0.22 -0.0027 -0.0086 3122385 ChemDiv3_009813 COc1ccc(OC)c(c1)C2N(Cc3ccccc3C)CCN2Cc4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O02 compound treatment 0.47 0.0366 1.74 0.464 0.0583 3.51 3.7156 0.9479 3031382 ChemDiv3_009814 O=C/1NN(C(=O)\C1=C\c2ccc(SC3CCCCC3)o2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O03 compound treatment 0.432 -0.00141 -0.07 0.434 0.0283 1.7 1.1575 0.6788 3122386 ChemDiv3_009815 O=C(CCn1c(=O)oc2ccccc12)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O04 compound treatment 0.445 0.0116 0.55 0.434 0.0283 1.7 1.5957 0.8908 3031385 ChemDiv3_009816 CN(Cc1ccccc1)C(=O)CSc2c3CCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O05 compound treatment 0.46 0.0266 1.27 0.441 0.0353 2.13 2.3993 0.9695 3031415 ChemDiv3_009817 CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O06 compound treatment 0.451 0.0176 0.84 0.432 0.0263 1.58 1.7128 0.9558 3031417 ChemDiv3_009818 CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O07 compound treatment 0.465 0.0316 1.51 0.437 0.0313 1.88 2.3975 0.9938 3031418 ChemDiv3_009819 CC(C1Sc2ccccc2N(Cc3cccc(Cl)c3)C1=O)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O08 compound treatment 0.458 0.0246 1.17 0.45 0.0443 2.67 2.7151 0.9319 3031420 ChemDiv3_009820 CCCCN(C)c1nc2ccccc2c(=O)n1c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O09 compound treatment 0.447 0.0136 0.65 0.426 0.0203 1.22 1.3225 0.956 3031422 ChemDiv3_009821 Cn1c(=O)c2cc(sc2c3ccc(Cl)cc13)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O10 compound treatment 0.446 0.0126 0.6 0.431 0.0253 1.52 1.5016 0.9171 3031424 ChemDiv3_009822 CSc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O11 compound treatment 0.558 0.125 5.94 0.536 0.13 7.85 9.7473 0.9906 3122387 ChemDiv3_009823 CCc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O12 compound treatment 0.449 0.0156 0.74 0.429 0.0233 1.4 1.5176 0.9559 3031425 ChemDiv3_009824 CCCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O13 compound treatment 0.45 0.0166 0.79 0.432 0.0263 1.58 1.6791 0.9486 3122388 ChemDiv3_009825 O=C(CSc1c2CCCCc2nc3ccccc13)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O14 compound treatment 0.446 0.0126 0.6 0.438 0.0323 1.94 1.7997 0.8842 3031427 ChemDiv3_009826 CCN(c1ccc(C)c(C)c1)S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O15 compound treatment 0.432 -0.00141 -0.07 0.433 0.0273 1.64 1.1149 0.6777 3122389 ChemDiv3_009827 COc1cccc(c1)C(=O)Nc2c3CCCCc3nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O16 compound treatment 0.467 0.0336 1.6 0.448 0.0423 2.55 2.9333 0.975 3031429 ChemDiv3_009828 Cn1cc(C(=O)NC2CCCCCC2)c(=O)c3cc(ccc13)S(=O)(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O17 compound treatment 0.465 0.0316 1.51 0.451 0.0453 2.73 2.9936 0.9608 3122390 ChemDiv3_009829 COc1cccc2sc(NCc3ccccc3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O18 compound treatment 0.436 0.00259 0.12 0.432 0.0263 1.58 1.2071 0.76 3122391 ChemDiv3_009830 CCn1cc(C(=O)NCCc2ccccc2)c(=O)c3cc(ccc13)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O19 compound treatment 0.434 5.94E-4 0.03 0.417 0.0113 0.68 0.5011 0.7359 3031431 ChemDiv3_009831 Fc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O20 compound treatment 0.444 0.0106 0.51 0.431 0.0253 1.52 1.4342 0.8937 3122392 ChemDiv3_009832 CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c3cc(ccc13)S(=O)(=O)N4CC(C)CC(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O21 compound treatment 0.433 -4.06E-4 -0.02 0.432 0.0263 1.58 1.106 0.6984 3031433 ChemDiv3_009833 Brc1ccc2nc(sc2c1)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O22 compound treatment 0.439 0.00559 0.27 0.436 0.0303 1.82 1.4786 0.8019 3122393 ChemDiv3_009834 Cc1ccccc1S(=O)Cc2ccc(o2)C(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O23 mock treatment 0.42 -0.0134 -0.64 0.409 0.0033 0.2 -0.3114 -0.4653 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 O24 mock treatment 0.44 0.00659 0.31 0.408 0.0023 0.14 0.3202 0.9322 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P01 compound treatment 0.449 0.0156 0.74 0.42 0.0143 0.86 1.1344 0.9973 3031434 ChemDiv3_009835 COC(CN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P02 compound treatment 0.439 0.00559 0.27 0.419 0.0133 0.8 0.7548 0.8943 3122394 ChemDiv3_009836 CC1CCC2(CC1)OC(=O)C(=C2C(=O)N(C)C3CCCCC3)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P03 compound treatment 0.462 0.0286 1.36 0.445 0.0393 2.37 2.637 0.9657 3031435 ChemDiv3_009837 CC(C)CCNC(=O)c1ccc(CS(=O)(=O)c2cccc(c2)C(F)(F)F)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P04 compound treatment 0.437 0.00359 0.17 0.428 0.0223 1.34 1.0706 0.7909 3122395 ChemDiv3_009838 CC1=C(C(=O)NCCCN2CCN(CC2)c3cc(Cl)ccc3C)C4(CCCCC4)OC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P05 compound treatment 0.453 0.0196 0.93 0.444 0.0383 2.31 2.2911 0.9208 3122396 ChemDiv3_009839 CCc1ccc(cc1)c2nc(CN3CCC(CC3)C(=O)NC4CC4)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P06 compound treatment 0.464 0.0306 1.46 0.454 0.0483 2.91 3.0876 0.9491 3031438 ChemDiv3_009840 COc1ccc(cc1OC)c2c(C)nn3c(NCCC4=CCCCC4)cc(C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P07 compound treatment 0.449 0.0156 0.74 0.442 0.0363 2.19 2.0711 0.8971 3122397 ChemDiv3_009841 Cc1oc(nc1CSCC(=O)N2CCCC2)c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P08 compound treatment 0.436 0.00259 0.12 0.419 0.0133 0.8 0.6537 0.8067 3031441 ChemDiv3_009842 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P09 compound treatment 0.437 0.00359 0.17 0.452 0.0463 2.79 2.0923 0.7491 3122398 ChemDiv3_009843 Cc1oc(nc1CSCC(=O)N2CCCC2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P10 compound treatment 0.506 0.0726 3.46 0.498 0.0923 5.56 6.3766 0.974 3122399 ChemDiv3_009844 COc1ccc(cc1)c2cn3c(C)c(sc3n2)C(=O)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P11 compound treatment 0.449 0.0156 0.74 0.433 0.0273 1.64 1.6879 0.9357 3031443 ChemDiv3_009845 COc1ccc(cc1)c2nc(CS(=O)CC(=O)NCC3CCCO3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P12 compound treatment 0.481 0.0476 2.27 0.474 0.0683 4.11 4.5121 0.9607 3122400 ChemDiv3_009846 CCOc1ccc(CC(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P13 compound treatment 0.449 0.0156 0.74 0.465 0.0593 3.57 3.0503 0.8364 3122401 ChemDiv3_009847 Cc1oc(nc1CS(=O)CC(=O)NC2CC2)c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P14 compound treatment 0.475 0.0416 1.98 0.492 0.0863 5.2 5.0762 0.9127 3031445 ChemDiv3_009848 COc1cc(/C=C\C(=O)NCc2ccc3n(C)c(C)cc3c2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P15 compound treatment 0.446 0.0126 0.6 0.427 0.0213 1.28 1.3313 0.9402 3031483 ChemDiv3_009849 COc1cccc(c1)c2nc(CS(=O)(=O)CC(=O)NC3CCCC(C)C3C)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P16 compound treatment 0.469 0.0356 1.7 0.463 0.0573 3.45 3.6393 0.9466 3031484 ChemDiv3_009850 CCOc1ccc(cc1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P17 compound treatment 0.448 0.0146 0.7 0.447 0.0413 2.49 2.2503 0.8715 3031485 ChemDiv3_009851 CCN1C(=O)c2ccccc2S(=O)c3ccc(cc13)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P18 compound treatment 0.449 0.0156 0.74 0.429 0.0233 1.4 1.5176 0.9559 3031486 ChemDiv3_009852 O=C(Cc1cccs1)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P19 compound treatment 0.448 0.0146 0.7 0.442 0.0363 2.19 2.0374 0.8883 3031488 ChemDiv3_009853 CN(CCC#N)C(=O)c1ccc2c(c1)N(Cc3ccc(F)cc3)C(=O)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P20 compound treatment 0.509 0.0756 3.6 0.497 0.0913 5.5 6.4352 0.979 3122587 ChemDiv3_009854 Cc1cc2cc(CNC(=S)NCCc3ccccc3)ccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P21 compound treatment 0.447 0.0136 0.65 0.437 0.0313 1.88 1.7908 0.8986 3031490 ChemDiv3_009855 Cc1cc(C(=O)Nc2cc(C)ccc2C)n(n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P22 compound treatment 0.432 -0.00141 -0.07 0.416 0.0103 0.62 0.3911 0.627 3122588 ChemDiv3_009856 CN1CCN(CC1)C(=O)COc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P23 mock treatment 0.442 0.00859 0.41 0.426 0.0203 1.22 1.1539 0.8952 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2028 P24 mock treatment 0.432 -0.00141 -0.07 0.412 0.0063 0.38 0.2208 0.5733 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A01 compound treatment 0.414 -0.0213 -1.01 0.417 -0.0183 -1.1 -1.4986 -0.9991 3031492 ChemDiv3_009857 COc1ccc(CCNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A02 compound treatment 0.475 0.0397 1.89 0.426 -0.00934 -0.56 0.9407 0.4764 3122589 ChemDiv3_009858 CCN(CC)C(=O)CSc1cc(=O)n(CC)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A03 compound treatment 0.426 -0.00929 -0.44 0.471 0.0357 2.15 1.2049 0.5497 3122590 ChemDiv3_009859 CCc1ccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A04 compound treatment 0.428 -0.00729 -0.35 0.428 -0.00734 -0.44 -0.5584 -0.9929 3031494 ChemDiv3_009860 CCn1c(=O)cc(SCC(=O)NCCN2CCN(Cc3ccccc3)CC2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A05 compound treatment 0.439 0.00371 0.18 0.395 -0.0403 -2.43 -1.5926 -0.6539 3122591 ChemDiv3_009861 CCOc1ccc(cc1)N(CC)C(=O)COc2cc(=O)n(CC)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A06 compound treatment 0.427 -0.00829 -0.4 0.426 -0.00934 -0.56 -0.6773 -0.9851 3031496 ChemDiv3_009862 O=C(c1ccccc1)c2cn(Cc3ccccc3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A07 compound treatment 0.422 -0.0133 -0.63 0.439 0.00366 0.22 -0.2923 -0.4358 3122592 ChemDiv3_009863 CCc1ccccc1NC(=O)CCCOc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A08 compound treatment 0.443 0.00771 0.37 0.437 0.00166 0.1 0.3304 0.8676 3122593 ChemDiv3_009864 Fc1ccc(cc1)c2cc(COCC(=O)N3CCOCC3)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A09 compound treatment 0.439 0.00371 0.18 0.43 -0.00534 -0.32 -0.1025 -0.2791 3031498 ChemDiv3_009865 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A10 compound treatment 0.446 0.0107 0.51 0.436 6.56E-4 0.04 0.3889 0.7596 3122594 ChemDiv3_009866 COc1ccc(cc1)c2cc3C(=O)CC(C)(C)Cc3n2Cc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A11 compound treatment 0.431 -0.00429 -0.2 0.434 -0.00134 -0.08 -0.2018 -0.9176 3122595 ChemDiv3_009867 CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A12 compound treatment 0.455 0.0197 0.94 0.453 0.0177 1.06 1.4161 0.9981 3031501 ChemDiv3_009868 CCc1ccc(NC(=O)c2cc(C)n[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A13 compound treatment 0.428 -0.00729 -0.35 0.435 -3.44E-4 -0.02 -0.2604 -0.7479 3122596 ChemDiv3_009869 O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](Cc3ccccc3)N4Cc5ccccc5C4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A14 compound treatment 0.444 0.00871 0.42 0.43 -0.00534 -0.32 0.0661 0.1258 3031503 ChemDiv3_009870 CCCSc1nnc(c2c[nH]c3ccccc23)n1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A15 compound treatment 0.438 0.00271 0.13 0.436 6.56E-4 0.04 0.1193 0.883 3122597 ChemDiv3_009871 COc1ccccc1NC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A16 compound treatment 0.438 0.00271 0.13 0.431 -0.00434 -0.26 -0.0936 -0.3209 3031505 ChemDiv3_009872 CN(Cc1ccccc1)C(=O)c2cc3c(Cl)nc4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A17 compound treatment 0.43 -0.00529 -0.25 0.431 -0.00434 -0.26 -0.3633 -0.9998 3122598 ChemDiv3_009873 Cc1nc2cc(nn2c(C)c1CCC(=O)N3CCc4ccccc34)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A18 compound treatment 0.458 0.0227 1.08 0.459 0.0237 1.42 1.7726 0.9908 3031507 ChemDiv3_009874 Clc1ccc(CNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A19 compound treatment 0.428 -0.00729 -0.35 0.428 -0.00734 -0.44 -0.5584 -0.9929 3122599 ChemDiv3_009875 Cc1nc2ncnn2c(C)c1CCC(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A20 compound treatment 0.429 -0.00629 -0.3 0.432 -0.00334 -0.2 -0.3544 -0.9812 3122600 ChemDiv3_009876 CCOC(=O)N1CCN(CC1)C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A21 compound treatment 0.438 0.00271 0.13 0.425 -0.0103 -0.62 -0.349 -0.5488 3031509 ChemDiv3_009877 CCCNC(=O)CCc1c(C)nc2n(C)c(=O)n(C)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A22 compound treatment 0.439 0.00371 0.18 0.45 0.0147 0.88 0.749 0.8323 3031546 ChemDiv3_009878 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCC4(CCCC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A23 mock treatment 0.442 0.00671 0.32 0.433 -0.00234 -0.14 0.1264 0.3615 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 A24 mock treatment 0.422 -0.0133 -0.63 0.425 -0.0103 -0.62 -0.8884 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B01 compound treatment 0.498 0.0627 2.99 0.457 0.0217 1.3 3.0358 0.9308 3031547 ChemDiv3_009879 CCc1ccc(NC(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B02 compound treatment 0.489 0.0537 2.56 0.443 0.00766 0.46 2.1364 0.8212 3031548 ChemDiv3_009880 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)Nc3cccc(CC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B03 compound treatment 0.446 0.0107 0.51 0.452 0.0167 1.0 1.0701 0.9509 3031550 ChemDiv3_009881 CCCN(CCC)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B04 compound treatment 0.443 0.00771 0.37 0.458 0.0227 1.36 1.2245 0.8667 3031552 ChemDiv3_009882 O=C(/C=C/c1ccco1)N2CCn3c(C2)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B05 compound treatment 0.442 0.00671 0.32 0.449 0.0137 0.82 0.8076 0.9154 3031554 ChemDiv3_009883 CCN1CCCC1CNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B06 compound treatment 0.443 0.00771 0.37 0.444 0.00866 0.52 0.6284 0.9854 3122601 ChemDiv3_009884 Fc1ccc(CN2CCCN(C2)C(=O)c3oc(=O)c4ccccc4c3c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B07 compound treatment 0.442 0.00671 0.32 0.452 0.0167 1.0 0.9353 0.8885 3031557 ChemDiv3_009885 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCCN4CCN(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B08 compound treatment 0.449 0.0137 0.65 0.453 0.0177 1.06 1.2138 0.9727 3122602 ChemDiv3_009886 COc1ccc(cc1)C(=O)NC(C)C(N2CCOCC2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B09 compound treatment 0.462 0.0267 1.27 0.47 0.0347 2.09 2.3758 0.9719 3031559 ChemDiv3_009887 COc1ccc2cc3c(N)nn(C(=O)c4ccncc4)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B10 compound treatment 0.445 0.00971 0.46 0.442 0.00666 0.4 0.6107 0.9974 3122603 ChemDiv3_009888 CCN1CCN(CC1)C(C(C)NS(=O)(=O)c2ccc(C)cc2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B11 compound treatment 0.441 0.00571 0.27 0.448 0.0127 0.76 0.7313 0.9038 3122604 ChemDiv3_009889 CC1CCN(CC1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4n(C)c(=O)n(C)c(=O)c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B12 compound treatment 0.445 0.00971 0.46 0.447 0.0117 0.7 0.8236 0.9796 3031560 ChemDiv3_009890 Cn1c(=O)n(C)c2nc(nc(SCc3cccc(c3)C(F)(F)F)c2c1=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B13 compound treatment 0.487 0.0517 2.46 0.5 0.0647 3.89 4.4957 0.9757 3122605 ChemDiv3_009891 COc1cccc(NC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B14 compound treatment 0.455 0.0197 0.94 0.465 0.0297 1.79 1.927 0.955 3031562 ChemDiv3_009892 CC(N1C(Nc2ccc(F)cc2)c3ccccc3C1=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B15 compound treatment 0.451 0.0157 0.75 0.446 0.0107 0.64 0.9832 0.997 3122606 ChemDiv3_009893 Clc1c2CCCCc2nc3cc(ccc13)C(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B16 compound treatment 0.448 0.0127 0.61 0.447 0.0117 0.7 0.9247 0.9973 3031563 ChemDiv3_009894 Cc1nc2c(C)cccn2c1C(Nc3ccc(F)cc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B17 compound treatment 0.492 0.0567 2.7 0.49 0.0547 3.29 4.2385 0.9952 3122607 ChemDiv3_009895 Clc1ccc(CCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B18 compound treatment 0.437 0.00171 0.08 0.443 0.00766 0.46 0.3836 0.8194 3122608 ChemDiv3_009896 COc1ccc(CN2CNc3c(C2)c(C)nn3c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B19 compound treatment 0.448 0.0127 0.61 0.444 0.00866 0.52 0.797 0.9972 3031564 ChemDiv3_009897 CC1CCCCN1CCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B20 compound treatment 0.45 0.0147 0.7 0.445 0.00966 0.58 0.9069 0.9957 3122609 ChemDiv3_009898 CCOC(=O)N1CCC(=CC1)c2c(C)[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B21 compound treatment 0.456 0.0207 0.99 0.448 0.0127 0.76 1.2369 0.9918 3031566 ChemDiv3_009899 Brc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B22 compound treatment 0.453 0.0177 0.84 0.451 0.0157 0.94 1.2635 0.9985 3122610 ChemDiv3_009900 Cc1ccc2[nH]c3C(CCCc3c2c1)Nc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B23 mock treatment 0.454 0.0187 0.89 0.451 0.0157 0.94 1.2972 0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 B24 mock treatment 0.442 0.00671 0.32 0.437 0.00166 0.1 0.2967 0.8855 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C01 compound treatment 0.418 -0.0173 -0.82 0.418 -0.0173 -1.04 -1.3212 -0.9931 3122611 ChemDiv3_009901 Cn1c(=O)cc(OCC(=O)NCC2COc3ccccc3O2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C02 compound treatment 0.425 -0.0103 -0.49 0.425 -0.0103 -0.62 -0.7872 -0.993 3031569 ChemDiv3_009902 CCn1c(=O)cc(SCC(=O)N2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C03 compound treatment 0.425 -0.0103 -0.49 0.415 -0.0203 -1.22 -1.213 -0.9193 3122612 ChemDiv3_009903 CC(NC(=O)COc1cc(=O)n(C)c2ccccc12)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C04 compound treatment 0.414 -0.0213 -1.01 0.429 -0.00634 -0.38 -0.9877 -0.9109 3031572 ChemDiv3_009904 CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C05 compound treatment 0.415 -0.0203 -0.97 0.425 -0.0103 -0.62 -1.1243 -0.9773 3122613 ChemDiv3_009905 CCn1c(=O)cc(OCC(=O)N(C)c2ccccc2F)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C06 compound treatment 0.478 0.0427 2.04 0.474 0.0387 2.33 3.0854 0.9978 3122614 ChemDiv3_009906 Cc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c4cc5OCOc5cc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C07 compound treatment 0.417 -0.0183 -0.87 0.421 -0.0143 -0.86 -1.2272 -1.0 3031574 ChemDiv3_009907 COc1cccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C08 compound treatment 0.43 -0.00529 -0.25 0.435 -3.44E-4 -0.02 -0.193 -0.7626 3031614 ChemDiv3_009908 CC(C)CC(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C09 compound treatment 0.42 -0.0153 -0.73 0.426 -0.00934 -0.56 -0.9132 -0.9918 3031615 ChemDiv3_009909 O=C(C1CCCN1S(=O)(=O)c2cccc3nsnc23)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C10 compound treatment 0.459 0.0237 1.13 0.455 0.0197 1.18 1.6361 0.9997 3031616 ChemDiv3_009910 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)c3cc(n[nH]3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C11 compound treatment 0.494 0.0587 2.8 0.487 0.0517 3.11 4.1782 0.9986 3031618 ChemDiv3_009911 CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C12 compound treatment 0.424 -0.0113 -0.54 0.427 -0.00834 -0.5 -0.7358 -0.9994 3031619 ChemDiv3_009912 CC1CC(C)CN(C1)C(=O)c2cc(C)n[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C13 compound treatment 0.426 -0.00929 -0.44 0.423 -0.0123 -0.74 -0.8387 -0.9694 3031620 ChemDiv3_009913 Cc1cccc(CCNC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C14 compound treatment 0.424 -0.0113 -0.54 0.421 -0.0143 -0.86 -0.9913 -0.9741 3122795 ChemDiv3_009914 CCn1c(SCC(=O)N2CCCC2)nnc1c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C15 compound treatment 0.431 -0.00429 -0.2 0.427 -0.00834 -0.5 -0.4998 -0.9215 3122796 ChemDiv3_009915 CCOc1ccc(NC(=O)[C@H](C(C)CC)N2Cc3ccccc3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C16 compound treatment 0.428 -0.00729 -0.35 0.428 -0.00734 -0.44 -0.5584 -0.9929 3031622 ChemDiv3_009916 Clc1nc2ccccc2c3sc(cc13)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C17 compound treatment 0.428 -0.00729 -0.35 0.425 -0.0103 -0.62 -0.6861 -0.962 3122797 ChemDiv3_009917 Cc1nc2cc(nn2c(C)c1CCC(=O)Nc3ccc4OCCOc4c3)c5cccc(F)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C18 compound treatment 0.48 0.0447 2.13 0.478 0.0427 2.57 3.3231 0.9957 3031624 ChemDiv3_009918 CC(C)CN(CC(C)C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C19 compound treatment 0.417 -0.0183 -0.87 0.416 -0.0193 -1.16 -1.4401 -0.9898 3122798 ChemDiv3_009919 Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C20 compound treatment 0.415 -0.0203 -0.97 0.416 -0.0193 -1.16 -1.5075 -0.9957 3031626 ChemDiv3_009920 CCOc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C21 compound treatment 0.418 -0.0173 -0.82 0.414 -0.0213 -1.29 -1.4915 -0.977 3122799 ChemDiv3_009921 CCOC(=O)N1CCN(CC1)C(=O)C(CC(C)C)NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C22 compound treatment 0.416 -0.0193 -0.92 0.418 -0.0173 -1.04 -1.3886 -0.998 3031629 ChemDiv3_009922 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C23 mock treatment 0.419 -0.0163 -0.78 0.414 -0.0213 -1.29 -1.4578 -0.9709 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 C24 mock treatment 0.435 -2.9E-4 -0.01 0.432 -0.00334 -0.2 -0.1521 -0.7539 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D01 compound treatment 0.446 0.0107 0.51 0.441 0.00566 0.34 0.6018 0.9806 3122800 ChemDiv3_009923 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D02 compound treatment 0.454 0.0187 0.89 0.462 0.0267 1.6 1.7655 0.9616 3122801 ChemDiv3_009924 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3C(C)Cc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D03 compound treatment 0.449 0.0137 0.65 0.434 -0.00134 -0.08 0.4049 0.6149 3031631 ChemDiv3_009925 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)CCC#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D04 compound treatment 0.449 0.0137 0.65 0.436 6.56E-4 0.04 0.4901 0.7485 3031633 ChemDiv3_009926 O=S(=O)(Cc1ccccc1)N2CCn3c(C2)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D05 compound treatment 0.446 0.0107 0.51 0.434 -0.00134 -0.08 0.3038 0.5877 3122802 ChemDiv3_009927 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N4CCN(CC4)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D06 compound treatment 0.438 0.00271 0.13 0.43 -0.00534 -0.32 -0.1362 -0.3928 3122803 ChemDiv3_009928 CN(C(=O)c1oc(=O)c2ccccc2c1c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D07 compound treatment 0.452 0.0167 0.8 0.454 0.0187 1.12 1.3575 0.9858 3031635 ChemDiv3_009929 Cc1ccc(CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D08 compound treatment 0.442 0.00671 0.32 0.437 0.00166 0.1 0.2967 0.8855 3122804 ChemDiv3_009930 CC(NC(=O)c1ccc(F)cc1)C(N2CCN(C)CC2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D09 compound treatment 0.454 0.0187 0.89 0.462 0.0267 1.6 1.7655 0.9616 3031636 ChemDiv3_009931 COc1ccc2cc3c(N)nn(C(=O)Cc4c(F)cccc4Cl)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D10 compound treatment 0.435 -2.9E-4 -0.01 0.432 -0.00334 -0.2 -0.1521 -0.7539 3122805 ChemDiv3_009932 COc1ccccc1N2CCN(CC2)C(C(C)NS(=O)(=O)c3ccc(F)cc3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D11 compound treatment 0.438 0.00271 0.13 0.451 0.0157 0.94 0.7579 0.7966 3122806 ChemDiv3_009933 Cc1ccccc1NC(=O)C(NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D12 compound treatment 0.432 -0.00329 -0.16 0.435 -3.44E-4 -0.02 -0.1255 -0.7935 3031638 ChemDiv3_009934 COc1ccc(cc1)C(=O)CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D13 compound treatment 0.449 0.0137 0.65 0.459 0.0237 1.42 1.4693 0.9376 3122807 ChemDiv3_009935 CC1CCN(CC1)C(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D14 compound treatment 0.442 0.00671 0.32 0.432 -0.00334 -0.2 0.0838 0.2218 3031640 ChemDiv3_009936 Cc1csc(NC2N(Cc3ccccc3)C(=O)c4ccccc24)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D15 compound treatment 0.436 7.1E-4 0.03 0.435 -3.44E-4 -0.02 0.0093 0.2342 3122808 ChemDiv3_009937 CC1CCN(CC1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D16 compound treatment 0.446 0.0107 0.51 0.446 0.0107 0.64 0.8147 0.9936 3031642 ChemDiv3_009938 COC(=O)c1cc(cc(c1)C(=O)OC)N2Cc3nccnc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D17 compound treatment 0.485 0.0497 2.37 0.469 0.0337 2.03 3.1085 0.997 3031677 ChemDiv3_009939 CCN(Cc1ccccc1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D18 compound treatment 0.446 0.0107 0.51 0.445 0.00966 0.58 0.7721 0.9979 3031679 ChemDiv3_009940 COC(=O)c1cnn2CN(Cc3ccccc3)CNc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D19 compound treatment 0.437 0.00171 0.08 0.431 -0.00434 -0.26 -0.1273 -0.4647 3031680 ChemDiv3_009941 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D20 compound treatment 0.426 -0.00929 -0.44 0.434 -0.00134 -0.08 -0.3704 -0.8227 3031682 ChemDiv3_009942 Cc1[nH]c2ccccc2c1C3=CCNCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D21 compound treatment 0.437 0.00171 0.08 0.425 -0.0103 -0.62 -0.3828 -0.6094 3031683 ChemDiv3_009943 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D22 compound treatment 0.491 0.0557 2.66 0.492 0.0567 3.41 4.29 0.9923 3031685 ChemDiv3_009944 Cc1ccc2[nH]c3C(CCCc3c2c1)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D23 mock treatment 0.446 0.0107 0.51 0.434 -0.00134 -0.08 0.3038 0.5877 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 D24 mock treatment 0.44 0.00471 0.22 0.426 -0.00934 -0.56 -0.2391 -0.3947 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E01 compound treatment 0.439 0.00371 0.18 0.441 0.00566 0.34 0.3659 0.9534 3031686 ChemDiv3_009945 Cn1c(=O)cc(OCC(=O)NCCCN2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E02 compound treatment 0.445 0.00971 0.46 0.446 0.0107 0.64 0.781 0.9872 3122809 ChemDiv3_009946 CCn1c(=O)cc(SCC(=O)NCCCN2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E03 compound treatment 0.488 0.0527 2.51 0.487 0.0517 3.11 3.976 0.9944 3031687 ChemDiv3_009947 CCC(C)NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E04 compound treatment 0.452 0.0167 0.8 0.453 0.0177 1.06 1.315 0.9899 3122810 ChemDiv3_009948 Cc1ccc(cc1)S(=O)(=O)c2cc3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E05 compound treatment 0.443 0.00771 0.37 0.435 -3.44E-4 -0.02 0.2452 0.6662 3031689 ChemDiv3_009949 CCn1c(=O)cc(OCC(=O)NCCCN2CCCC2=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E06 compound treatment 0.475 0.0397 1.89 0.474 0.0387 2.33 2.9843 0.9947 3122811 ChemDiv3_009950 Clc1ccc(CNC(=O)c2cc3CSCc3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E07 compound treatment 0.444 0.00871 0.42 0.447 0.0117 0.7 0.7898 0.9686 3122812 ChemDiv3_009951 O=C(NC1CCCCCCC1)C2CCCN(C2)S(=O)(=O)c3c[nH]cn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E08 compound treatment 0.473 0.0377 1.8 0.48 0.0447 2.69 3.1723 0.9808 3031692 ChemDiv3_009952 O=S(=O)(c1ccccc1)c/2cc3ccccc3o\c2=N/c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E09 compound treatment 0.444 0.00871 0.42 0.441 0.00566 0.34 0.5344 0.9952 3122813 ChemDiv3_009953 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)c4cccc5nsnc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E10 compound treatment 0.446 0.0107 0.51 0.446 0.0107 0.64 0.8147 0.9936 3031693 ChemDiv3_009954 O=C(N1CCCCC1)c2cc(n[nH]2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E11 compound treatment 0.437 0.00171 0.08 0.432 -0.00334 -0.2 -0.0847 -0.3901 3122814 ChemDiv3_009955 CN(CC(=O)NCc1ccccc1)S(=O)(=O)c2ccc3NC(=O)CCc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E12 compound treatment 0.45 0.0147 0.7 0.446 0.0107 0.64 0.9495 0.999 3122815 ChemDiv3_009956 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)C3CCN(CC3)c4ccc(nn4)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E13 compound treatment 0.44 0.00471 0.22 0.445 0.00966 0.58 0.5699 0.9144 3031696 ChemDiv3_009957 CCC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E14 compound treatment 0.437 0.00171 0.08 0.433 -0.00234 -0.14 -0.0422 -0.2587 3122816 ChemDiv3_009958 CCn1c(SCC(=O)N2CCCc3ccccc23)nnc1c4c[nH]c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E15 compound treatment 0.435 -2.9E-4 -0.01 0.439 0.00366 0.22 0.1459 0.6613 3031698 ChemDiv3_009959 COc1ccc(NC(=O)[C@H](CCS(=O)(=O)C)N2Cc3ccccc3C2=O)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E16 compound treatment 0.438 0.00271 0.13 0.432 -0.00334 -0.2 -0.051 -0.2133 3122817 ChemDiv3_009960 CN(C)CCNC(=O)c1cc2c(Cl)nc3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E17 compound treatment 0.485 0.0497 2.37 0.468 0.0327 1.97 3.0659 0.9957 3122818 ChemDiv3_009961 COc1ccc(cc1)N2Cc3cccc(C(=O)Nc4cccc(OC)c4)c3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E18 compound treatment 0.527 0.0917 4.37 0.531 0.0957 5.76 7.1639 0.9907 3031701 ChemDiv3_009962 Clc1nc2ccccc2c3sc(cc13)C(=O)NCCc4ccsc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E19 compound treatment 0.505 0.0697 3.32 0.495 0.0597 3.59 4.8896 0.9992 3122819 ChemDiv3_009963 CC(NC(=O)CCc1c(C)nc2n(nc(C)c2c1C)c3ccc(C)cc3)c4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E20 compound treatment 0.437 0.00171 0.08 0.435 -3.44E-4 -0.02 0.043 0.5113 3031703 ChemDiv3_009964 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)N4CCN(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E21 compound treatment 0.464 0.0287 1.37 0.462 0.0267 1.6 2.1026 0.9969 3122820 ChemDiv3_009965 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E22 compound treatment 0.432 -0.00329 -0.16 0.437 0.00166 0.1 -0.0404 -0.2173 3031705 ChemDiv3_009966 COC(CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E23 mock treatment 0.439 0.00371 0.18 0.429 -0.00634 -0.38 -0.145 -0.3446 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 E24 mock treatment 0.444 0.00871 0.42 0.434 -0.00134 -0.08 0.2364 0.5588 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F01 compound treatment 0.459 0.0237 1.13 0.453 0.0177 1.06 1.5509 0.9995 3122821 ChemDiv3_009967 CCOc1ccccc1N(C)C(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F02 compound treatment 0.543 0.108 5.13 0.535 0.0997 6.0 7.8735 0.997 3031758 ChemDiv3_009968 CCCCN(Cc1ccccc1)S(=O)(=O)c2ccc3n(CC(=O)OCC)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F03 compound treatment 0.451 0.0157 0.75 0.457 0.0217 1.3 1.4515 0.9653 3031760 ChemDiv3_009969 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)CC(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F04 compound treatment 0.444 0.00871 0.42 0.442 0.00666 0.4 0.577 0.9998 3031762 ChemDiv3_009970 O=C(Nc1ccccc1)N2CCn3c(C2)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F05 compound treatment 0.448 0.0127 0.61 0.449 0.0137 0.82 1.0098 0.9887 3031763 ChemDiv3_009971 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F06 compound treatment 0.499 0.0637 3.04 0.504 0.0687 4.13 5.0705 0.9885 3031765 ChemDiv3_009972 CC(C)CCN(Cc1ccco1)C(=O)c2oc(=O)c3ccccc3c2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F07 compound treatment 0.449 0.0137 0.65 0.458 0.0227 1.36 1.4267 0.9432 3031766 ChemDiv3_009973 CC(C)CN(CC(C)C)C(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F08 compound treatment 0.444 0.00871 0.42 0.451 0.0157 0.94 0.9601 0.9321 3122997 ChemDiv3_009974 CCN1CCN(CC1)C(C(C)NC(=O)C(C)C)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F09 compound treatment 0.488 0.0527 2.51 0.468 0.0327 1.97 3.1671 0.9926 3031768 ChemDiv3_009975 COc1ccc2cc3c(N)nn(C(=O)CCn4c(=S)oc5ccccc45)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F10 compound treatment 0.453 0.0177 0.84 0.456 0.0207 1.24 1.4764 0.9822 3122998 ChemDiv3_009976 Cc1nc(SCc2ccc(cc2)C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F11 compound treatment 0.445 0.00971 0.46 0.444 0.00866 0.52 0.6958 0.9982 3122999 ChemDiv3_009977 CN(CC(=O)NC1CCCC1)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F12 compound treatment 0.442 0.00671 0.32 0.448 0.0127 0.76 0.765 0.9257 3031771 ChemDiv3_009978 Cn1c(=O)n(C)c2nc(nc(SCC(=O)N3CCCc4ccccc34)c2c1=O)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F13 compound treatment 0.492 0.0567 2.7 0.498 0.0627 3.77 4.5791 0.9866 3123000 ChemDiv3_009979 COc1ccccc1CNC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F14 compound treatment 0.449 0.0137 0.65 0.441 0.00566 0.34 0.7029 0.9538 1211662 ChemDiv3_009980 OC(=O)c1nccnc1C(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F15 compound treatment 0.446 0.0107 0.51 0.452 0.0167 1.0 1.0701 0.9509 3123001 ChemDiv3_009981 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F16 compound treatment 0.445 0.00971 0.46 0.448 0.0127 0.76 0.8661 0.9714 3031773 ChemDiv3_009982 CCN1Cc2cccc(C(=O)O)c2C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F17 compound treatment 0.453 0.0177 0.84 0.447 0.0117 0.7 1.0932 0.9958 3123002 ChemDiv3_009983 Cc1cccc(CN2CCC(CNC(=O)c3ccc4c(Cl)c5CCCCc5nc4c3)CC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F18 compound treatment 0.454 0.0187 0.89 0.449 0.0137 0.82 1.2121 0.9992 3031776 ChemDiv3_009984 O=C(NCCc1ccccc1)c2cc3ccccn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F19 compound treatment 0.466 0.0307 1.46 0.467 0.0317 1.91 2.3829 0.9915 3123003 ChemDiv3_009985 COc1ccc(CC(=O)N(Cc2nc(no2)c3ccc(Cl)cc3)C(C)C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F20 compound treatment 0.447 0.0117 0.56 0.443 0.00766 0.46 0.7207 0.9955 3031778 ChemDiv3_009986 Cc1ccc(cc1)c2cc(N)[nH]n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F21 compound treatment 0.448 0.0127 0.61 0.443 0.00766 0.46 0.7544 0.9909 3123004 ChemDiv3_009987 CCCN(CCC)S(=O)(=O)c1ccc2n(CC(=O)OCC)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F22 compound treatment 0.446 0.0107 0.51 0.445 0.00966 0.58 0.7721 0.9979 3031780 ChemDiv3_009988 Cc1ccnc(c1)N2C(Nc3ccc(Br)c(C)c3)c4ccccc4C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F23 mock treatment 0.437 0.00171 0.08 0.447 0.0117 0.7 0.5539 0.784 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 F24 mock treatment 0.443 0.00771 0.37 0.443 0.00766 0.46 0.5858 0.9937 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G01 compound treatment 0.424 -0.0113 -0.54 0.439 0.00366 0.22 -0.2249 -0.3868 3123005 ChemDiv3_009989 CCOc1ccccc1N(C)C(=O)COc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G02 compound treatment 0.457 0.0217 1.03 0.439 0.00366 0.22 0.8874 0.8388 3123006 ChemDiv3_009990 CCn1c(=O)cc(SCC(=O)N(CC=C)c2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G03 compound treatment 0.459 0.0237 1.13 0.438 0.00266 0.16 0.9123 0.7992 3031782 ChemDiv3_009991 CCn1c(=O)cc(OCC(=O)Nc2cccc(OC)c2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G04 compound treatment 0.451 0.0157 0.75 0.441 0.00566 0.34 0.7703 0.9364 3123007 ChemDiv3_009992 Fc1ccc(cc1)S(=O)(=O)c2cc3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G05 compound treatment 0.441 0.00571 0.27 0.433 -0.00234 -0.14 0.0927 0.3023 3031783 ChemDiv3_009993 CCn1c(=O)cc(OCC(=O)NC2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G06 compound treatment 0.451 0.0157 0.75 0.438 0.00266 0.16 0.6426 0.8392 3123008 ChemDiv3_009994 CC(C)CCNC(=O)c1cc2CSCc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G07 compound treatment 0.441 0.00571 0.27 0.434 -0.00134 -0.08 0.1353 0.4763 3123009 ChemDiv3_009995 COc1ccc(cc1)N2CCN(CCCNC(=O)C3CCCN(C3)S(=O)(=O)c4c[nH]cn4)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G08 compound treatment 0.589 0.154 7.33 0.598 0.163 9.79 12.1062 0.9898 3031842 ChemDiv3_009996 COc1ccc2cc(/c(=N/c3ccc4OCCOc4c3)/oc2c1)S(=O)(=O)c5ccc(C)c(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G09 compound treatment 0.448 0.0127 0.61 0.43 -0.00534 -0.32 0.2009 0.2929 3031844 ChemDiv3_009997 O=C(NCCc1ccccc1)C2CCCN2S(=O)(=O)c3cccc4nsnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G10 compound treatment 0.443 0.00771 0.37 0.435 -3.44E-4 -0.02 0.2452 0.6662 3031846 ChemDiv3_009998 CC1CCCC(C)N1C(=O)c2cc(n[nH]2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G11 compound treatment 0.435 -2.9E-4 -0.01 0.439 0.00366 0.22 0.1459 0.6613 3031848 ChemDiv3_009999 Cc1ccc(CNC(=O)[C@H](N2Cc3ccccc3C2=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G12 compound treatment 0.447 0.0117 0.56 0.447 0.0117 0.7 0.891 0.9936 3031849 ChemDiv3_010000 COc1ccc(CCNC(=O)C2CCN(CC2)c3ccc(nn3)N4CCOCC4)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G13 compound treatment 0.442 0.00671 0.32 0.445 0.00966 0.58 0.6373 0.9604 3123010 ChemDiv3_010001 CCC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)NCc3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G14 compound treatment 0.43 -0.00529 -0.25 0.44 0.00466 0.28 0.0199 0.0528 3031851 ChemDiv3_010002 CCn1c(SCC(=O)NCCc2ccccc2)nnc1c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G15 compound treatment 0.433 -0.00229 -0.11 0.427 -0.00834 -0.5 -0.4324 -0.8411 3123011 ChemDiv3_010003 CCCNC(=O)CCc1c(C)nc2cc(nn2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G16 compound treatment 0.44 0.00471 0.22 0.433 -0.00234 -0.14 0.059 0.2224 3031853 ChemDiv3_010004 CCCCN(C)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G17 compound treatment 0.484 0.0487 2.32 0.478 0.0427 2.57 3.458 0.9987 3123012 ChemDiv3_010005 COc1ccc(cc1)N2Cc3cccc(C(=O)NCCc4cccc(C)c4)c3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G18 compound treatment 0.469 0.0337 1.61 0.47 0.0347 2.09 2.6118 0.9917 3123013 ChemDiv3_010006 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G19 compound treatment 0.475 0.0397 1.89 0.483 0.0477 2.87 3.3675 0.9796 3031856 ChemDiv3_010007 COc1ccc(CNC(=O)C2C(Oc3ccc(Cl)cc3Cl)C(=O)N2c4cccc(C)c4C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G20 compound treatment 0.435 -2.9E-4 -0.01 0.427 -0.00834 -0.5 -0.365 -0.7263 3123014 ChemDiv3_010008 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)N4CCN(CC4)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G21 compound treatment 0.437 0.00171 0.08 0.442 0.00666 0.4 0.341 0.8338 3123015 ChemDiv3_010009 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G22 compound treatment 0.433 -0.00229 -0.11 0.434 -0.00134 -0.08 -0.1344 -0.9891 3031859 ChemDiv3_010010 CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G23 mock treatment 0.423 -0.0123 -0.59 0.428 -0.00734 -0.44 -0.7269 -0.9904 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 G24 mock treatment 0.427 -0.00829 -0.4 0.429 -0.00634 -0.38 -0.5495 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H01 compound treatment 0.442 0.00671 0.32 0.445 0.00966 0.58 0.6373 0.9604 3123016 ChemDiv3_010011 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)c4cc(Cl)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H02 compound treatment 0.475 0.0397 1.89 0.463 0.0277 1.67 2.516 0.998 3031861 ChemDiv3_010012 Fc1ccc(CSc2nc3c4ccccc4sc3c(=O)n2CCC(=O)NCC5CCCO5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H03 compound treatment 0.459 0.0237 1.13 0.432 -0.00334 -0.2 0.6568 0.5721 3123017 ChemDiv3_010013 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H04 compound treatment 0.451 0.0157 0.75 0.433 -0.00234 -0.14 0.4298 0.5639 3031863 ChemDiv3_010014 CC(=O)OCC(=O)c1ccc2ccn(C(=O)C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H05 compound treatment 0.48 0.0447 2.13 0.465 0.0297 1.79 2.7697 0.9961 3123018 ChemDiv3_010015 CCc1ccc(NC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H06 compound treatment 0.45 0.0147 0.7 0.435 -3.44E-4 -0.02 0.4812 0.6859 3123019 ChemDiv3_010016 CCOC(=O)N1CCN(CC(O)c2ccc3NCCc3c2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H07 compound treatment 0.457 0.0217 1.03 0.44 0.00466 0.28 0.93 0.8674 3031866 ChemDiv3_010017 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)Nc4ccc5c(C)cc(=O)oc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H08 compound treatment 0.441 0.00571 0.27 0.434 -0.00134 -0.08 0.1353 0.4763 3123020 ChemDiv3_010018 CCC(=O)NC(C)C(N1CCN(CC1)c2ccccc2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H09 compound treatment 0.479 0.0437 2.08 0.466 0.0307 1.85 2.7785 0.9982 3031868 ChemDiv3_010019 Cc1ccc(NC(=O)Cn2nnc(c2N)S(=O)(=O)c3ccc(cc3)C(C)(C)C)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H10 compound treatment 0.442 0.00671 0.32 0.431 -0.00434 -0.26 0.0412 0.0998 3123021 ChemDiv3_010020 COC(=O)CSc1nc(C)nc2n(C)c(=O)n(C)c(=O)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H11 compound treatment 0.441 0.00571 0.27 0.439 0.00366 0.22 0.3481 0.9945 3123022 ChemDiv3_010021 CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H12 compound treatment 0.433 -0.00229 -0.11 0.434 -0.00134 -0.08 -0.1344 -0.9891 3031923 ChemDiv3_010022 COC(=O)c1ccc(CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4cccs4)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H13 compound treatment 0.477 0.0417 1.99 0.484 0.0487 2.93 3.4775 0.9822 3031924 ChemDiv3_010023 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)NCc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H14 compound treatment 0.447 0.0117 0.56 0.435 -3.44E-4 -0.02 0.3801 0.6804 3031926 ChemDiv3_010024 O=C(N1CCOCC1)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H15 compound treatment 0.445 0.00971 0.46 0.436 6.56E-4 0.04 0.3552 0.7647 3031927 ChemDiv3_010025 CC(C)NC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H16 compound treatment 0.446 0.0107 0.51 0.431 -0.00434 -0.26 0.1761 0.3069 3031928 ChemDiv3_010026 COc1cc(OC)c(NC2N(Cc3cccs3)C(=O)c4cccnc24)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H17 compound treatment 0.445 0.00971 0.46 0.444 0.00866 0.52 0.6958 0.9982 3031930 ChemDiv3_010027 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCCN4CCN(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H18 compound treatment 0.436 7.1E-4 0.03 0.432 -0.00334 -0.2 -0.1184 -0.5802 3123023 ChemDiv3_010028 CC(C)NC(=S)N1CCN(CC1)c2ccc(nn2)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H19 compound treatment 0.442 0.00671 0.32 0.437 0.00166 0.1 0.2967 0.8855 3031931 ChemDiv3_010029 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)CCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H20 compound treatment 0.443 0.00771 0.37 0.44 0.00466 0.28 0.4581 0.9911 3123024 ChemDiv3_010030 COC(=O)c1c(N)onc1c2ccc(Br)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H21 compound treatment 0.432 -0.00329 -0.16 0.434 -0.00134 -0.08 -0.1681 -0.9526 3031933 ChemDiv3_010031 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N(C)CCC#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H22 compound treatment 0.429 -0.00629 -0.3 0.436 6.56E-4 0.04 -0.1841 -0.6087 3123202 ChemDiv3_010032 COc1cc(NC2N(C(=O)c3ccccc23)c4cc(C)ccn4)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H23 mock treatment 0.44 0.00471 0.22 0.44 0.00466 0.28 0.357 0.9939 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 H24 mock treatment 0.424 -0.0113 -0.54 0.434 -0.00134 -0.08 -0.4378 -0.8044 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I01 compound treatment 0.443 0.00771 0.37 0.448 0.0127 0.76 0.7987 0.9441 3123203 ChemDiv3_010033 CCCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I02 compound treatment 0.474 0.0387 1.85 0.44 0.00466 0.28 1.5031 0.8053 3031936 ChemDiv3_010034 CCn1c(=O)cc(SCC(=O)NCc2cccs2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I03 compound treatment 0.445 0.00971 0.46 0.439 0.00366 0.22 0.483 0.9423 3123204 ChemDiv3_010035 CCn1c(=O)cc(OCC(=O)N2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I04 compound treatment 0.436 7.1E-4 0.03 0.443 0.00766 0.46 0.3499 0.757 3031938 ChemDiv3_010036 COc1ccc2oc(=O)c(cc2c1)S(=O)(=O)c3ccc(cc3)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I05 compound treatment 0.454 0.0187 0.89 0.433 -0.00234 -0.14 0.5309 0.5879 3123205 ChemDiv3_010037 CCOc1ccc(CNC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I06 compound treatment 0.448 0.0127 0.61 0.438 0.00266 0.16 0.5415 0.8642 3031940 ChemDiv3_010038 CCC1CCCCN1CCCNC(=O)c2cc3CSCc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I07 compound treatment 0.447 0.0117 0.56 0.436 6.56E-4 0.04 0.4226 0.7553 3123206 ChemDiv3_010039 Fc1ccccc1N2CCN(CCNC(=O)C3CCCN(C3)S(=O)(=O)c4c[nH]cn4)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I08 compound treatment 0.441 0.00571 0.27 0.443 0.00766 0.46 0.5184 0.9684 1469954 ChemDiv3_010040 NCCC1(CC2CC3C1)CC(C2)(C3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I09 compound treatment 0.443 0.00771 0.37 0.446 0.0107 0.64 0.7136 0.965 3123207 ChemDiv3_010041 CC1Cc2ccccc2N1C(=O)C3CCCN3S(=O)(=O)c4cccc5nsnc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I10 compound treatment 0.451 0.0157 0.75 0.438 0.00266 0.16 0.6426 0.8392 3031944 ChemDiv3_010042 COc1ccc(cc1)c2cc([nH]n2)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I11 compound treatment 0.45 0.0147 0.7 0.44 0.00466 0.28 0.6941 0.9191 3123208 ChemDiv3_010043 O=C(NCCc1ccccc1)[C@H](N2Cc3ccccc3C2=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I12 compound treatment 0.457 0.0217 1.03 0.443 0.00766 0.46 1.0577 0.9336 3031945 ChemDiv3_010044 Cn1c(SCC(=O)NCc2ccco2)nnc1c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I13 compound treatment 0.454 0.0187 0.89 0.44 0.00466 0.28 0.8289 0.8866 3123209 ChemDiv3_010045 O=C(NC1CCCC1)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I14 compound treatment 0.454 0.0187 0.89 0.439 0.00366 0.22 0.7863 0.856 3031947 ChemDiv3_010046 CCSc1nnc(c2c[nH]c3ccccc23)n1CCOC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I15 compound treatment 0.436 7.1E-4 0.03 0.426 -0.00934 -0.56 -0.3739 -0.6634 3123210 ChemDiv3_010047 Cc1nc2cc(nn2c(C)c1CCC(=O)N3CCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I16 compound treatment 0.449 0.0137 0.65 0.426 -0.00934 -0.56 0.0643 0.0746 3123211 ChemDiv3_010048 Clc1nc2ccccc2c3sc(cc13)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I17 compound treatment 0.449 0.0137 0.65 0.448 0.0127 0.76 1.001 0.9971 3031949 ChemDiv3_010049 COc1ccc(c2cc3nc(C)c(CCC(=O)NCc4ccc5OCOc5c4)c(C)n3n2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I18 compound treatment 0.44 0.00471 0.22 0.445 0.00966 0.58 0.5699 0.9144 3123212 ChemDiv3_010050 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)Nc4cnc5ccccc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I19 compound treatment 0.441 0.00571 0.27 0.431 -0.00434 -0.26 0.0075 0.0199 3030807 ChemDiv3_010051 Cc1nn(c2ccc(C)c(C)c2)c3nc(C)c(CCC(=O)NCC4CCN(C4)C5CCCC5)c(C)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I20 compound treatment 0.444 0.00871 0.42 0.436 6.56E-4 0.04 0.3215 0.7709 3030808 ChemDiv3_010052 CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I21 compound treatment 0.444 0.00871 0.42 0.444 0.00866 0.52 0.6621 0.9937 3030810 ChemDiv3_010053 COc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)C(C)C)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I22 compound treatment 0.441 0.00571 0.27 0.438 0.00266 0.16 0.3055 0.9679 3030811 ChemDiv3_010054 CCC(C)NC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I23 mock treatment 0.437 0.00171 0.08 0.433 -0.00234 -0.14 -0.0422 -0.2587 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 I24 mock treatment 0.433 -0.00229 -0.11 0.439 0.00366 0.22 0.0785 0.3193 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J01 compound treatment 0.5 0.0647 3.08 0.498 0.0627 3.77 4.8488 0.995 3030813 ChemDiv3_010055 CCN(C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1)c4ccc(CC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J02 compound treatment 0.44 0.00471 0.22 0.433 -0.00234 -0.14 0.059 0.2224 3123213 ChemDiv3_010056 FC(F)(F)c1nc2ccccc2n(CC(=O)N3CCc4ccccc34)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J03 compound treatment 0.441 0.00571 0.27 0.45 0.0147 0.88 0.8164 0.8841 3030815 ChemDiv3_010057 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(Cc4ccccc4)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J04 compound treatment 0.439 0.00371 0.18 0.435 -3.44E-4 -0.02 0.1104 0.6201 3123214 ChemDiv3_010058 O=C(CCn1c(=S)oc2ccccc12)N3CCn4c(C3)nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J05 compound treatment 0.436 7.1E-4 0.03 0.434 -0.00134 -0.08 -0.0333 -0.3796 3123215 ChemDiv3_010059 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J06 compound treatment 0.442 0.00671 0.32 0.437 0.00166 0.1 0.2967 0.8855 3030817 ChemDiv3_010060 CCOC(=O)N1CCN(CC(O)c2ccc3N(CCc3c2)C(=O)C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J07 compound treatment 0.452 0.0167 0.8 0.441 0.00566 0.34 0.8041 0.9282 3123216 ChemDiv3_010061 CC1CCCCN1CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J08 compound treatment 0.452 0.0167 0.8 0.438 0.00266 0.16 0.6763 0.8325 3123217 ChemDiv3_010062 CC(NC(=O)c1ccncc1)C(N2CCN(Cc3ccccc3)CC2)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J09 compound treatment 0.449 0.0137 0.65 0.434 -0.00134 -0.08 0.4049 0.6149 3030820 ChemDiv3_010063 CCCN1C(O)c2ccc(cc2C1=O)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J10 compound treatment 0.439 0.00371 0.18 0.429 -0.00634 -0.38 -0.145 -0.3446 3123218 ChemDiv3_010064 COc1ccc(cc1)c2nc(SCC(=O)N)c3c(=O)n(C)c(=O)n(C)c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J11 compound treatment 0.439 0.00371 0.18 0.436 6.56E-4 0.04 0.153 0.8443 3030822 ChemDiv3_010065 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J12 compound treatment 0.434 -0.00129 -0.06 0.429 -0.00634 -0.38 -0.3136 -0.8105 3123219 ChemDiv3_010066 Cc1[nH]c(nc1C(=O)O)c2ccc3OCOc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J13 compound treatment 0.468 0.0327 1.56 0.45 0.0147 0.88 1.7266 0.9637 3123220 ChemDiv3_010067 COc1ccc(CCNC(=O)c2ccc3c(SCC(=O)O)c4CCCCc4nc3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J14 compound treatment 0.436 7.1E-4 0.03 0.437 0.00166 0.1 0.0944 0.8968 3030825 ChemDiv3_010068 O=C1N(Cc2ccccc2)Cc3ccncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J15 compound treatment 0.52 0.0847 4.04 0.515 0.0797 4.8 6.2467 0.9963 3030826 ChemDiv3_010069 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J16 compound treatment 0.432 -0.00329 -0.16 0.426 -0.00934 -0.56 -0.5087 -0.871 3123221 ChemDiv3_010070 OCc1nccnc1C(=O)Nc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J17 compound treatment 0.517 0.0817 3.9 0.521 0.0857 5.16 6.401 0.9904 3123222 ChemDiv3_010071 Clc1ccccc1CNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J18 compound treatment 0.43 -0.00529 -0.25 0.434 -0.00134 -0.08 -0.2355 -0.8893 3030830 ChemDiv3_010072 Clc1ccc(nn1)N2CCN(CC2)C(=O)c3cc4ccccn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J19 compound treatment 0.515 0.0797 3.8 0.502 0.0667 4.01 5.5247 0.9996 3123223 ChemDiv3_010073 CC(C)N(Cc1nc(no1)c2ccc(C)cc2)C(=O)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J20 compound treatment 0.515 0.0797 3.8 0.497 0.0617 3.71 5.3118 0.9999 1113344 ChemDiv3_010074 Clc1ccc(cc1)N2C(=O)c3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J21 compound treatment 0.44 0.00471 0.22 0.434 -0.00134 -0.08 0.1015 0.4255 3123224 ChemDiv3_010075 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J22 compound treatment 0.425 -0.0103 -0.49 0.43 -0.00534 -0.32 -0.5744 -0.9791 3030833 ChemDiv3_010076 COc1ccc(Cn2c(CCC(=O)NCc3ccccc3)nc4cccnc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J23 mock treatment 0.425 -0.0103 -0.49 0.434 -0.00134 -0.08 -0.4041 -0.8128 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 J24 mock treatment 0.427 -0.00829 -0.4 0.436 6.56E-4 0.04 -0.2515 -0.6333 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K01 compound treatment 0.445 0.00971 0.46 0.44 0.00466 0.28 0.5255 0.9711 3123225 ChemDiv3_010077 Cn1c(=O)cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K02 compound treatment 0.455 0.0197 0.94 0.474 0.0387 2.33 2.3101 0.9204 3030888 ChemDiv3_010078 CCn1c(=O)cc(SCC(=O)NC2CCCc3ccccc23)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K03 compound treatment 0.445 0.00971 0.46 0.429 -0.00634 -0.38 0.0572 0.0953 3030889 ChemDiv3_010079 CCn1c(=O)cc(OCC(=O)N2CCCCC2C)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K04 compound treatment 0.457 0.0217 1.03 0.453 0.0177 1.06 1.4835 0.9999 3030890 ChemDiv3_010080 COc1cccc2cc(c(=O)oc12)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K05 compound treatment 0.45 0.0147 0.7 0.438 0.00266 0.16 0.6089 0.8466 3030892 ChemDiv3_010081 Cn1c(=O)cc(OCCCC(=O)NC2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K06 compound treatment 0.437 0.00171 0.08 0.448 0.0127 0.76 0.5965 0.7783 3030893 ChemDiv3_010082 Fc1ccc(cc1)c2cc(COCC(=O)Nc3ccc(F)cc3F)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K07 compound treatment 0.449 0.0137 0.65 0.431 -0.00434 -0.26 0.2772 0.3938 3030895 ChemDiv3_010083 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)N3CCN(C(C)C3)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K08 compound treatment 0.449 0.0137 0.65 0.446 0.0107 0.64 0.9158 1.0 3123226 ChemDiv3_010084 O=C1CCCN1CC2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K09 compound treatment 0.44 0.00471 0.22 0.432 -0.00334 -0.2 0.0164 0.0544 3030897 ChemDiv3_010085 CC(=O)Nc1ccc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4nsnc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K10 compound treatment 0.486 0.0507 2.42 0.479 0.0437 2.63 3.568 0.9991 3123227 ChemDiv3_010086 COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(n[nH]3)c4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K11 compound treatment 0.44 0.00471 0.22 0.439 0.00366 0.22 0.3144 1.0 3123228 ChemDiv3_010087 O=C([C@H](N1Cc2ccccc2C1=O)c3ccccc3)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K12 compound treatment 0.445 0.00971 0.46 0.435 -3.44E-4 -0.02 0.3127 0.6748 3030900 ChemDiv3_010088 Cc1cccc(CSc2nnc(c3c[nH]c4ccccc34)n2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K13 compound treatment 0.468 0.0327 1.56 0.452 0.0167 1.0 1.8117 0.9772 3123229 ChemDiv3_010089 COc1ccccc1NC(=O)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K14 compound treatment 0.453 0.0177 0.84 0.452 0.0167 1.0 1.3061 0.9963 3030901 ChemDiv3_010090 CCSc1nnc(c2c[nH]c3ccccc23)n1c4cccc(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K15 compound treatment 0.443 0.00771 0.37 0.453 0.0177 1.06 1.0116 0.8993 3123406 ChemDiv3_010091 CCOC(=O)N1CCC(CC1)NC(=O)CCc2c(C)nc3c(c(C)nn3c2C)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K16 compound treatment 0.437 0.00171 0.08 0.444 0.00866 0.52 0.4262 0.8079 3030904 ChemDiv3_010092 Clc1nc2ccccc2c3sc(cc13)C(=O)NCCCN4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K17 compound treatment 0.439 0.00371 0.18 0.438 0.00266 0.16 0.2381 0.9987 3123407 ChemDiv3_010093 COc1ccc(c2cc3nc(C)c(CCC(=O)NC(C)c4cccs4)c(C)n3n2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K18 compound treatment 0.445 0.00971 0.46 0.445 0.00966 0.58 0.7384 0.9936 3123408 ChemDiv3_010094 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K19 compound treatment 0.432 -0.00329 -0.16 0.434 -0.00134 -0.08 -0.1681 -0.9526 3030907 ChemDiv3_010095 Cc1nn(c2ccccc2)c3nc(cc(C)c13)C(=O)NN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K20 compound treatment 0.495 0.0597 2.85 0.469 0.0337 2.03 3.4456 0.9861 3123409 ChemDiv3_010096 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NCCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K21 compound treatment 0.496 0.0607 2.89 0.49 0.0547 3.29 4.3734 0.9979 3030909 ChemDiv3_010097 Cc1ccc(C)c(c1)N2CCN(CC2)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)CCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K22 compound treatment 0.444 0.00871 0.42 0.439 0.00366 0.22 0.4492 0.956 3123410 ChemDiv3_010098 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K23 mock treatment 0.426 -0.00929 -0.44 0.429 -0.00634 -0.38 -0.5832 -0.9973 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 K24 mock treatment 0.444 0.00871 0.42 0.44 0.00466 0.28 0.4918 0.9817 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L01 compound treatment 0.47 0.0347 1.65 0.444 0.00866 0.52 1.5385 0.8869 3123411 ChemDiv3_010099 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L02 compound treatment 0.442 0.00671 0.32 0.443 0.00766 0.46 0.5521 0.9841 3030911 ChemDiv3_010100 FC(F)(F)c1nc2ccccc2n(CC(=O)N3CCc4ccccc4C3)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L03 compound treatment 0.453 0.0177 0.84 0.449 0.0137 0.82 1.1784 0.9999 3123412 ChemDiv3_010101 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N(C)Cc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L04 compound treatment 0.432 -0.00329 -0.16 0.442 0.00666 0.4 0.1725 0.4008 3030913 ChemDiv3_010102 CC(=O)OCC(=O)c1ccc2N(CCc2c1)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L05 compound treatment 0.491 0.0557 2.66 0.474 0.0387 2.33 3.5236 0.9978 3123413 ChemDiv3_010103 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(CC=C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L06 compound treatment 0.449 0.0137 0.65 0.441 0.00566 0.34 0.7029 0.9538 3030974 ChemDiv3_010104 CC1CCCCN1S(=O)(=O)c2ccc3n(C)c(=O)oc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L07 compound treatment 0.448 0.0127 0.61 0.446 0.0107 0.64 0.8821 0.9996 3123414 ChemDiv3_010105 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(Cc4ccco4)C5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L08 compound treatment 0.454 0.0187 0.89 0.455 0.0197 1.18 1.4675 0.9903 3123415 ChemDiv3_010106 COc1ccc(cc1OC)C(=O)NC(C)C(N2CCN(CC2)c3ccccc3F)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L09 compound treatment 0.443 0.00771 0.37 0.445 0.00966 0.58 0.671 0.9755 3030976 ChemDiv3_010107 CCCN1C(O)c2ccc(cc2C1=O)C(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L10 compound treatment 0.454 0.0187 0.89 0.438 0.00266 0.16 0.7437 0.8208 3123416 ChemDiv3_010108 CCOC(=O)C(C)Sc1nc(nc2n(C)c(=O)n(C)c(=O)c12)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L11 compound treatment 0.444 0.00871 0.42 0.435 -3.44E-4 -0.02 0.2789 0.671 3030977 ChemDiv3_010109 CN(CC(=O)NCc1ccccc1)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L12 compound treatment 0.452 0.0167 0.8 0.442 0.00666 0.4 0.8466 0.9495 3123417 ChemDiv3_010110 O=C1N(Cc2ccccc2)C(Nc3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L13 compound treatment 0.484 0.0487 2.32 0.488 0.0527 3.17 3.8837 0.9883 3123418 ChemDiv3_010111 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L14 compound treatment 0.455 0.0197 0.94 0.444 0.00866 0.52 1.0329 0.9613 3030979 ChemDiv3_010112 Cc1cc(NC2N(C3CCCCC3)C(=O)c4cccnc24)ccc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L15 compound treatment 0.448 0.0127 0.61 0.443 0.00766 0.46 0.7544 0.9909 3123419 ChemDiv3_010113 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NCCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L16 compound treatment 0.444 0.00871 0.42 0.433 -0.00234 -0.14 0.1938 0.4419 3030982 ChemDiv3_010114 CCc1ccc(cc1)N2C(=O)c3ccncc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L17 compound treatment 0.471 0.0357 1.7 0.454 0.0187 1.12 1.998 0.9796 3123420 ChemDiv3_010115 CCCN(CCC)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L18 compound treatment 0.436 7.1E-4 0.03 0.441 0.00566 0.34 0.2647 0.7735 3030984 ChemDiv3_010116 Cc1cccc(c1)C(=O)N2CCN(CC2)c3ccc(nn3)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L19 compound treatment 0.442 0.00671 0.32 0.446 0.0107 0.64 0.6799 0.9483 3123421 ChemDiv3_010117 CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L20 compound treatment 0.5 0.0647 3.08 0.488 0.0527 3.17 4.423 0.9999 3123422 ChemDiv3_010118 COc1ccc(NC2N(C(=O)c3ccccc23)c4ccc(Cl)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L21 compound treatment 0.443 0.00771 0.37 0.431 -0.00434 -0.26 0.0749 0.1661 3030986 ChemDiv3_010119 CCCNS(=O)(=O)c1ccc2n(CC(=O)OCC)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L22 compound treatment 0.467 0.0317 1.51 0.459 0.0237 1.42 2.076 0.9996 3123423 ChemDiv3_010120 Cc1[nH]c2ccccc2c1C3=CCN(CC3)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L23 mock treatment 0.446 0.0107 0.51 0.446 0.0107 0.64 0.8147 0.9936 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 L24 mock treatment 0.439 0.00371 0.18 0.442 0.00666 0.4 0.4084 0.9324 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M01 compound treatment 0.471 0.0357 1.7 0.473 0.0377 2.27 2.8069 0.99 3030988 ChemDiv3_010121 CCc1cccc(NC(=O)COc2cc(=O)n(C)c3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M02 compound treatment 0.472 0.0367 1.75 0.442 0.00666 0.4 1.5208 0.8471 3123424 ChemDiv3_010122 CCn1c(=O)cc(SCC(=O)NCC2(CCCC2)c3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M03 compound treatment 0.439 0.00371 0.18 0.431 -0.00434 -0.26 -0.0599 -0.1897 3030991 ChemDiv3_010123 CCn1c(=O)cc(OCC(=O)NCCCN2CCOCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M04 compound treatment 0.451 0.0157 0.75 0.443 0.00766 0.46 0.8555 0.9728 3123425 ChemDiv3_010124 COc1ccc(OC)c(c1)S(=O)(=O)c2cc3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M05 compound treatment 0.443 0.00771 0.37 0.434 -0.00134 -0.08 0.2027 0.5385 3123426 ChemDiv3_010125 Cn1c(=O)cc(OCCCC(=O)N2CCCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M06 compound treatment 0.447 0.0117 0.56 0.442 0.00666 0.4 0.6781 0.9868 3031061 ChemDiv3_010126 Fc1ccc(cc1)c2cc(COCC(=O)NCC3CCCO3)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M07 compound treatment 0.434 -0.00129 -0.06 0.435 -3.44E-4 -0.02 -0.0581 -0.8957 3031062 ChemDiv3_010127 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc3ccc(cc3)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M08 compound treatment 0.447 0.0117 0.56 0.45 0.0147 0.88 1.0187 0.9756 3031063 ChemDiv3_010128 O=C1CCCN1CCC2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M09 compound treatment 0.432 -0.00329 -0.16 0.436 6.56E-4 0.04 -0.083 -0.513 3031064 ChemDiv3_010129 CCCN(C(=O)C1CCCN1S(=O)(=O)c2cccc3nsnc23)c4ccc(cc4)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M10 compound treatment 0.431 -0.00429 -0.2 0.438 0.00266 0.16 -0.0315 -0.1214 3031066 ChemDiv3_010130 COc1cccc(c1)c2cc([nH]n2)C(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M11 compound treatment 0.475 0.0397 1.89 0.47 0.0347 2.09 2.814 0.9988 3031067 ChemDiv3_010131 Fc1cccc(NC(=O)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M12 compound treatment 0.437 0.00171 0.08 0.433 -0.00234 -0.14 -0.0422 -0.2587 3123427 ChemDiv3_010132 COC(=O)c1ccc(CSc2nnc(c3c[nH]c4ccccc34)n2C)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M13 compound treatment 0.498 0.0627 2.99 0.478 0.0427 2.57 3.9299 0.9971 3031069 ChemDiv3_010133 Fc1ccc(CNC(=O)[C@H](CSCc2ccccc2)N3Cc4ccccc4C3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M14 compound treatment 0.439 0.00371 0.18 0.437 0.00166 0.1 0.1956 0.9633 3123428 ChemDiv3_010134 COC(=O)C(C)Sc1nnc(c2c[nH]c3ccccc23)n1c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M15 compound treatment 0.428 -0.00729 -0.35 0.431 -0.00434 -0.26 -0.4307 -0.9902 3123429 ChemDiv3_010135 CN(C(=O)CCc1c(C)nc2c(c(C)nn2c1C)c3ccc(F)cc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M16 compound treatment 0.447 0.0117 0.56 0.444 0.00866 0.52 0.7632 0.9994 3031072 ChemDiv3_010136 CN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M17 compound treatment 0.456 0.0207 0.99 0.448 0.0127 0.76 1.2369 0.9918 3123430 ChemDiv3_010137 COc1ccc(c2cc3nc(C)c(CCC(=O)Nc4ccccc4C(=O)N)c(C)n3n2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M18 compound treatment 0.441 0.00571 0.27 0.443 0.00766 0.46 0.5184 0.9684 3031073 ChemDiv3_010138 CCN1CCCC1CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M19 compound treatment 0.445 0.00971 0.46 0.448 0.0127 0.76 0.8661 0.9714 3123431 ChemDiv3_010139 CCOC(=O)C1=C(CN2CCc3ccccc23)NC(=O)NC1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M20 compound treatment 0.433 -0.00229 -0.11 0.441 0.00566 0.34 0.1636 0.4575 3031076 ChemDiv3_010140 Cn1c(cc2c(=O)n(C)c3ccccc3c12)C(=O)NC4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M21 compound treatment 0.429 -0.00629 -0.3 0.431 -0.00434 -0.26 -0.397 -0.9977 3123432 ChemDiv3_010141 COc1ccccc1NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M22 compound treatment 0.433 -0.00229 -0.11 0.437 0.00166 0.1 -0.0067 -0.0452 3120367 ChemDiv3_010142 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCN(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M23 mock treatment 0.427 -0.00829 -0.4 0.433 -0.00234 -0.14 -0.3792 -0.9037 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 M24 mock treatment 0.449 0.0137 0.65 0.441 0.00566 0.34 0.7029 0.9538 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N01 compound treatment 0.46 0.0247 1.18 0.445 0.00966 0.58 1.244 0.947 3031078 ChemDiv3_010143 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N02 compound treatment 0.479 0.0437 2.08 0.48 0.0447 2.69 3.3746 0.9921 3120368 ChemDiv3_010144 FC(F)(F)c1nc2ccccc2n(CC(=O)NCc3ccccc3)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N03 compound treatment 0.455 0.0197 0.94 0.464 0.0287 1.73 1.8844 0.9592 3031080 ChemDiv3_010145 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NCCc4ccsc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N04 compound treatment 0.428 -0.00729 -0.35 0.436 6.56E-4 0.04 -0.2178 -0.6227 3030865 ChemDiv3_010146 S=C(NCc1ccccc1)N2CCn3c(C2)nc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N05 compound treatment 0.499 0.0637 3.04 0.484 0.0487 2.93 4.219 0.9998 3030868 ChemDiv3_010147 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N06 compound treatment 0.444 0.00871 0.42 0.437 0.00166 0.1 0.3641 0.8527 3030932 ChemDiv3_010148 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N07 compound treatment 0.526 0.0907 4.32 0.503 0.0677 4.07 5.9381 0.9996 3030934 ChemDiv3_010149 CCCCN(Cc1ccco1)C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N08 compound treatment 0.462 0.0267 1.27 0.439 0.00366 0.22 1.056 0.8172 3030937 ChemDiv3_010150 COc1ccc(cc1)N2CCN(CC2)C(C(C)NC(=O)c3ccccc3OC)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N09 compound treatment 0.433 -0.00229 -0.11 0.434 -0.00134 -0.08 -0.1344 -0.9891 3030939 ChemDiv3_010151 CC1CCCN(C1)C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4NC(=O)CCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N10 compound treatment 0.438 0.00271 0.13 0.436 6.56E-4 0.04 0.1193 0.883 3030941 ChemDiv3_010152 CCOC(=O)C(C)(C)Sc1nc(nc2n(C)c(=O)n(C)c(=O)c12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N11 compound treatment 0.469 0.0337 1.61 0.471 0.0357 2.15 2.6543 0.9898 3030943 ChemDiv3_010153 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)Nc4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N12 compound treatment 0.474 0.0387 1.85 0.476 0.0407 2.45 3.0357 0.9903 3120369 ChemDiv3_010154 CCN(CC)S(=O)(=O)c1ccc(NC2N(Cc3ccccc3)C(=O)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N13 compound treatment 0.46 0.0247 1.18 0.458 0.0227 1.36 1.7975 0.9973 3120370 ChemDiv3_010155 Clc1c2CCCCc2nc3cc(ccc13)C(=O)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N14 compound treatment 0.432 -0.00329 -0.16 0.432 -0.00334 -0.2 -0.2533 -0.9924 1681444 ChemDiv3_010156 Cc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N15 compound treatment 0.454 0.0187 0.89 0.438 0.00266 0.16 0.7437 0.8208 3120371 ChemDiv3_010157 CN(C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N16 compound treatment 0.435 -2.9E-4 -0.01 0.43 -0.00534 -0.32 -0.2373 -0.7368 1027433 ChemDiv3_010158 OC(=O)c1ccnc(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N17 compound treatment 0.442 0.00671 0.32 0.436 6.56E-4 0.04 0.2541 0.7885 3030950 ChemDiv3_010159 COC(CNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N18 compound treatment 0.406 -0.0293 -1.4 0.405 -0.0303 -1.83 -2.2792 -0.9912 3120372 ChemDiv3_010160 CC1CCN(CC1)c2cc(C)c3c(O)cccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N19 compound treatment 0.514 0.0787 3.75 0.534 0.0987 5.94 6.8534 0.9755 3031012 ChemDiv3_010161 CC(C)N(Cc1nc(no1)c2cccc(C)c2)C(=O)/C=C/c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N20 compound treatment 0.518 0.0827 3.94 0.505 0.0697 4.19 5.7535 0.9995 3031014 ChemDiv3_010162 CCOC(=O)c1ccc(NC2CCCc3c2[nH]c4ccc(C)cc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N21 compound treatment 0.429 -0.00629 -0.3 0.433 -0.00234 -0.14 -0.3118 -0.9409 3031016 ChemDiv3_010163 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N22 compound treatment 0.475 0.0397 1.89 0.484 0.0487 2.93 3.41 0.9777 3031018 ChemDiv3_010164 CCn1c(C)c(C2=CCN(CC2)S(=O)(=O)c3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N23 mock treatment 0.432 -0.00329 -0.16 0.437 0.00166 0.1 -0.0404 -0.2173 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 N24 mock treatment 0.427 -0.00829 -0.4 0.44 0.00466 0.28 -0.0812 -0.1676 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O01 compound treatment 0.441 0.00571 0.27 0.438 0.00266 0.16 0.3055 0.9679 3031020 ChemDiv3_010165 CC(CCc1ccccc1)NC(=O)COc2cc(=O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O02 compound treatment 0.457 0.0217 1.03 0.45 0.0147 0.88 1.3558 0.9969 3031023 ChemDiv3_010166 CCn1c(=O)cc(SCC(=O)NC2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O03 compound treatment 0.432 -0.00329 -0.16 0.437 0.00166 0.1 -0.0404 -0.2173 3120373 ChemDiv3_010167 CCN(CC)C(=O)COc1cc(=O)n(CC)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O04 compound treatment 0.613 0.178 8.47 0.667 0.232 13.95 15.8529 0.9714 3120374 ChemDiv3_010168 CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O05 compound treatment 0.44 0.00471 0.22 0.439 0.00366 0.22 0.3144 1.0 3031029 ChemDiv3_010169 Cn1c(=O)cc(OCCCC(=O)NCC2(CCCC2)c3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O06 compound treatment 0.451 0.0157 0.75 0.446 0.0107 0.64 0.9832 0.997 3120375 ChemDiv3_010170 Fc1ccc(cc1)c2cc(COCC(=O)NCc3cccs3)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O07 compound treatment 0.439 0.00371 0.18 0.428 -0.00734 -0.44 -0.1876 -0.394 3120376 ChemDiv3_010171 CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NC3CCCC(C)C3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O08 compound treatment 0.458 0.0227 1.08 0.463 0.0277 1.67 1.9429 0.9783 3031033 ChemDiv3_010172 Cc1ccc(cc1)c2cc3C(=O)CC(C)(C)Cc3n2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O09 compound treatment 0.443 0.00771 0.37 0.437 0.00166 0.1 0.3304 0.8676 3120377 ChemDiv3_010173 CN(Cc1ccco1)C(=O)C2CCCN2S(=O)(=O)c3cccc4nsnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O10 compound treatment 0.502 0.0667 3.18 0.487 0.0517 3.11 4.4479 0.9999 3031082 ChemDiv3_010174 COc1cccc(c1)c2cc([nH]n2)C(=O)N3CCN(CC3)c4cc(C)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O11 compound treatment 0.441 0.00571 0.27 0.443 0.00766 0.46 0.5184 0.9684 3031084 ChemDiv3_010175 O=C([C@H](Cc1ccccc1)N2Cc3ccccc3C2=O)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O12 compound treatment 0.44 0.00471 0.22 0.444 0.00866 0.52 0.5273 0.9292 3031086 ChemDiv3_010176 CCC(Sc1nnc(c2c[nH]c3ccccc23)n1C)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O13 compound treatment 0.457 0.0217 1.03 0.439 0.00366 0.22 0.8874 0.8388 3031088 ChemDiv3_010177 O=C(NCc1ccco1)[C@H](Cc2ccccc2)N3Cc4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O14 compound treatment 0.44 0.00471 0.22 0.447 0.0117 0.7 0.655 0.8889 3031089 ChemDiv3_010178 CN(C1CCCCC1)C(=O)c2cc3c(Cl)nc4ccccc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O15 compound treatment 0.441 0.00571 0.27 0.445 0.00966 0.58 0.6036 0.9402 3031092 ChemDiv3_010179 COc1ccc(NC(=O)CCc2c(C)nc3cc(nn3c2C)c4ccc(Cl)cc4)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O16 compound treatment 0.443 0.00771 0.37 0.437 0.00166 0.1 0.3304 0.8676 3120378 ChemDiv3_010180 Clc1nc2ccccc2c3sc(cc13)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O17 compound treatment 0.439 0.00371 0.18 0.436 6.56E-4 0.04 0.153 0.8443 3031095 ChemDiv3_010181 CN(C(=O)CCc1c(C)nc2ncnn2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O18 compound treatment 0.457 0.0217 1.03 0.446 0.0107 0.64 1.1855 0.9736 3120379 ChemDiv3_010182 COc1ccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O19 compound treatment 0.438 0.00271 0.13 0.434 -0.00134 -0.08 0.0341 0.2239 3031097 ChemDiv3_010183 CCOC(=O)C1=C(CNc2cccnc2)NC(=O)NC1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O20 compound treatment 0.47 0.0347 1.65 0.443 0.00766 0.46 1.4959 0.8709 3120380 ChemDiv3_010184 Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O21 compound treatment 0.459 0.0237 1.13 0.435 -3.44E-4 -0.02 0.7846 0.694 3120381 ChemDiv3_010185 CCn1c(=O)cc(SCC(=O)N(C)Cc2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O22 compound treatment 0.44 0.00471 0.22 0.443 0.00766 0.46 0.4847 0.9453 3031100 ChemDiv3_010186 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)N4CCN(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O23 mock treatment 0.453 0.0177 0.84 0.435 -3.44E-4 -0.02 0.5823 0.6896 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 O24 mock treatment 0.49 0.0547 2.61 0.449 0.0137 0.82 2.4255 0.887 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P01 compound treatment 0.425 -0.0103 -0.49 0.447 0.0117 0.7 0.1494 0.1745 3120382 ChemDiv3_010187 CCn1c(=O)c2cc(sc2c3ccccc13)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P02 compound treatment 0.46 0.0247 1.18 0.443 0.00766 0.46 1.1589 0.9162 3120383 ChemDiv3_010188 O=S(=O)(N1CCn2c(C1)nc3ccccc23)c4ccc(cc4)C5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P03 compound treatment 0.499 0.0637 3.04 0.498 0.0627 3.77 4.8151 0.9942 3031256 ChemDiv3_010189 CC(C)NC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P04 compound treatment 0.444 0.00871 0.42 0.444 0.00866 0.52 0.6621 0.9937 3031258 ChemDiv3_010190 CC1CCC(CC1)NC(=O)c2oc(=O)c3ccccc3c2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P05 compound treatment 0.454 0.0187 0.89 0.451 0.0157 0.94 1.2972 0.9996 3031260 ChemDiv3_010191 Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P06 compound treatment 0.444 0.00871 0.42 0.438 0.00266 0.16 0.4067 0.914 3031261 ChemDiv3_010192 CCC(=O)NC(C)C(N1CCOCC1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P07 compound treatment 0.444 0.00871 0.42 0.456 0.0207 1.24 1.173 0.8946 3031263 ChemDiv3_010193 CCOc1ccc(CCNC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P08 compound treatment 0.447 0.0117 0.56 0.439 0.00366 0.22 0.5504 0.9172 3031266 ChemDiv3_010194 CC(NS(=O)(=O)c1ccc(Cl)cc1)C(N2CCN(C)CC2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P09 compound treatment 0.449 0.0137 0.65 0.451 0.0157 0.94 1.1287 0.984 3120384 ChemDiv3_010195 CCc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc4NC(=O)CCc4c3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P10 compound treatment 0.432 -0.00329 -0.16 0.432 -0.00334 -0.2 -0.2533 -0.9924 3031270 ChemDiv3_010196 CC1CCN(CC1)C(=O)CSc2nc(nc3n(C)c(=O)n(C)c(=O)c23)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P11 compound treatment 0.452 0.0167 0.8 0.465 0.0297 1.79 1.8259 0.9338 3120385 ChemDiv3_010197 OC(=O)CSc1c2CCCCc2nc3cc(ccc13)C(=O)Nc4ccc(F)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P12 compound treatment 0.431 -0.00429 -0.2 0.423 -0.0123 -0.74 -0.6701 -0.8694 3031337 ChemDiv3_010198 Clc1cccc(c1)C(=O)OC2N(Cc3ccccc3)C(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P13 compound treatment 0.445 0.00971 0.46 0.445 0.00966 0.58 0.7384 0.9936 3031339 ChemDiv3_010199 CN(C1CCCCC1)C(=O)c2ccc3c(Cl)c4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P14 compound treatment 0.438 0.00271 0.13 0.445 0.00966 0.58 0.5024 0.8436 3031340 ChemDiv3_010200 OC(=O)[C@H](Cc1ccccc1)N2C(=O)c3ccncc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P15 compound treatment 0.448 0.0127 0.61 0.464 0.0287 1.73 1.6484 0.9014 3031342 ChemDiv3_010201 CC(C)CCNC(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P16 compound treatment 0.466 0.0307 1.46 0.468 0.0327 1.97 2.4255 0.9894 3031345 ChemDiv3_010202 COc1ccc(CNC(=O)OCc2nccnc2C(=O)Nc3ccc(Br)cn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P17 compound treatment 0.506 0.0707 3.37 0.51 0.0747 4.5 5.5619 0.9899 3031346 ChemDiv3_010203 Clc1c2CCCCc2nc3cc(ccc13)C(=O)N4CCC(=CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P18 compound treatment 0.425 -0.0103 -0.49 0.415 -0.0203 -1.22 -1.213 -0.9193 3031348 ChemDiv3_010204 CN(Cc1ccccc1)c2cc(C)c3ccc(O)cc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P19 compound treatment 0.465 0.0297 1.42 0.462 0.0267 1.6 2.1363 0.9981 3120386 ChemDiv3_010205 Cc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P20 compound treatment 0.447 0.0117 0.56 0.446 0.0107 0.64 0.8484 0.9976 3120387 ChemDiv3_010206 CCOC(=O)c1ccc(NC2CCCc3c2n(C)c4ccc(C)cc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P21 compound treatment 0.452 0.0167 0.8 0.434 -0.00134 -0.08 0.506 0.632 3031355 ChemDiv3_010207 CCOC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P22 compound treatment 0.474 0.0387 1.85 0.47 0.0347 2.09 2.7803 0.9981 3120388 ChemDiv3_010208 Cc1[nH]c2ccccc2c1C3=CCN(CC3)S(=O)(=O)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P23 mock treatment 0.445 0.00971 0.46 0.431 -0.00434 -0.26 0.1424 0.2678 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2029 P24 mock treatment 0.407 -0.0283 -1.35 0.43 -0.00534 -0.32 -1.1811 -0.8519 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A01 compound treatment 0.433 0.0015 0.07 0.428 -0.00741 -0.45 -0.2648 -0.5862 3031756 ChemDiv3_010209 COc1ccc(Cl)cc1NC(=O)c2cnn(c2C3CCNCC3)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A02 compound treatment 0.427 -0.0045 -0.21 0.423 -0.0124 -0.75 -0.6799 -0.8748 3120389 ChemDiv3_010210 Cc1ccc(Cl)cc1N2CCN(CCCNC(=O)c3cc4c(C)nc5ccccc5c4o3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A03 compound treatment 0.455 0.0235 1.12 0.456 0.0206 1.24 1.6689 0.9987 3031821 ChemDiv3_010211 Cc1cccc(NC(=O)c2cnn(c2C3CCN(CC3)C(=O)OC(C)(C)C)c4ccc(F)cc4)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A04 compound treatment 0.487 0.0555 2.65 0.482 0.0466 2.81 3.8545 0.9996 3120390 ChemDiv3_010212 COc1ccc(cc1)C2SC[C@@H]3N2C(=S)N(C3=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A05 compound treatment 0.435 0.0035 0.17 0.428 -0.00741 -0.45 -0.1973 -0.4145 3031824 ChemDiv3_010213 O=C(CCc1nc2cccnc2n1c3ccccc3)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A06 compound treatment 0.43 -0.0015 -0.07 0.441 0.00559 0.34 0.1876 0.5448 3120391 ChemDiv3_010214 COC(=O)c1cc(=O)n(C2CCCCC2)/c(=N/C3CCCCC3)/s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A07 compound treatment 0.423 -0.0085 -0.41 0.438 0.00259 0.16 -0.1761 -0.4055 3031828 ChemDiv3_010215 COC(CN(C)C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A08 compound treatment 0.436 0.0045 0.21 0.441 0.00559 0.34 0.3898 0.9763 3120392 ChemDiv3_010216 Fc1ccc(cc1)C2SC[C@@H]3N2C(=O)N(C3=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A09 compound treatment 0.461 0.0295 1.41 0.452 0.0166 1.0 1.7009 0.986 3120393 ChemDiv3_010217 CN(C(=O)CSc1c2CCCCc2nc3cc(Cl)ccc13)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A10 compound treatment 0.466 0.0345 1.64 0.456 0.0206 1.24 2.0397 0.9903 3031834 ChemDiv3_010218 FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A11 compound treatment 0.495 0.0635 3.03 0.477 0.0416 2.5 3.9113 0.9956 3120394 ChemDiv3_010219 Cc1ccc2oc(=O)c3cnn(CC(=O)NCC4(CCCC4)c5ccccc5)c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A12 compound treatment 0.477 0.0455 2.17 0.48 0.0446 2.68 3.4323 0.9944 3031837 ChemDiv3_010220 O=C(Nc1ccc(cc1)c2cn3cccnc3n2)/C=C\c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A13 compound treatment 0.423 -0.0085 -0.41 0.434 -0.00141 -0.08 -0.3464 -0.8368 3120565 ChemDiv3_010221 CC(C)CNc1cc(Cl)c2noc3-c4ccccc4C(=O)c1c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A14 compound treatment 0.362 -0.0695 -3.31 0.36 -0.0754 -4.54 -5.5531 -0.988 3031840 ChemDiv3_010222 C(c1ccccc1)n2cc3c(nnc3c4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A15 compound treatment 0.43 -0.0015 -0.07 0.44 0.00459 0.28 0.145 0.5076 3120566 ChemDiv3_010223 CC1(OC(=O)C[n+]2ccccc21)/C(=N/c3ccc(Cl)cc3)/C(=O)Nc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A16 compound treatment 0.528 0.0965 4.6 0.51 0.0746 4.49 6.4286 0.9999 3120567 ChemDiv3_010224 Cc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c4ccc5n(C)c(=O)oc5c4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A17 compound treatment 0.431 -5.0E-4 -0.02 0.43 -0.00541 -0.33 -0.247 -0.7569 3031907 ChemDiv3_010225 Cc1cc(on1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A18 compound treatment 0.429 -0.0025 -0.12 0.434 -0.00141 -0.08 -0.1441 -0.986 3031909 ChemDiv3_010226 COc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A19 compound treatment 0.429 -0.0025 -0.12 0.432 -0.00341 -0.21 -0.2293 -0.9666 3120568 ChemDiv3_010227 Cc1noc(C(=O)N2CCN(CC2)c3cc(Cl)ccc3C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A20 compound treatment 0.427 -0.0045 -0.21 0.434 -0.00141 -0.08 -0.2116 -0.9173 3120569 ChemDiv3_010228 COc1ccccc1C2=NOC(C2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A21 compound treatment 0.428 -0.0035 -0.17 0.421 -0.0144 -0.87 -0.7313 -0.8279 3031914 ChemDiv3_010229 CCN(C(=O)c1cc2c(C)nc3ccccc3c2o1)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A22 compound treatment 0.433 0.0015 0.07 0.425 -0.0104 -0.63 -0.3925 -0.6224 3120570 ChemDiv3_010230 CC(C)NC(=O)C1CC(=NO1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A23 mock treatment 0.429 -0.0025 -0.12 0.429 -0.00641 -0.39 -0.357 -0.8843 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 A24 mock treatment 0.421 -0.0105 -0.5 0.434 -0.00141 -0.08 -0.4138 -0.8151 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B01 compound treatment 0.451 0.0195 0.93 0.445 0.00959 0.58 1.0658 0.9738 3031918 ChemDiv3_010231 COc1cc(Br)cc2cc3c(=O)n(nc3oc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B02 compound treatment 0.449 0.0175 0.83 0.45 0.0146 0.88 1.2112 0.9997 3120571 ChemDiv3_010232 CCOC(=O)c1ccccc1NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B03 compound treatment 0.45 0.0185 0.88 0.454 0.0186 1.12 1.4152 0.993 3120572 ChemDiv3_010233 CCC(C(=O)OC)n1cnc2n(Cc3ccccc3F)nnc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B04 compound treatment 0.449 0.0175 0.83 0.456 0.0206 1.24 1.4667 0.9814 3030788 ChemDiv3_010234 C1CCN(C1)c2nc3c(nnn3c4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B05 compound treatment 0.454 0.0225 1.07 0.459 0.0236 1.42 1.7629 0.9904 3120573 ChemDiv3_010235 CCC(C(=O)OC)n1cnc2n(nnc2c1=O)c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B06 compound treatment 0.452 0.0205 0.98 0.451 0.0156 0.94 1.3549 0.9998 3120574 ChemDiv3_010236 Fc1ccc(Cn2cc(c(=O)c3cc(F)ccc23)S(=O)(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B07 compound treatment 0.463 0.0315 1.5 0.466 0.0306 1.84 2.3643 0.9949 3030792 ChemDiv3_010237 COc1ccc(CCC(=O)Nc2n[nH]c3nc4cc(OC)ccc4cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B08 compound treatment 0.449 0.0175 0.83 0.453 0.0176 1.06 1.3389 0.993 3120575 ChemDiv3_010238 Cc1nc2c3ccccc3n4c(CCCC(=O)NCCc5ccc(Cl)cc5)nnc4n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B09 compound treatment 0.444 0.0125 0.6 0.441 0.00559 0.34 0.6595 0.9635 3120576 ChemDiv3_010239 CN(CCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B10 compound treatment 0.45 0.0185 0.88 0.441 0.00559 0.34 0.8617 0.9128 3030798 ChemDiv3_010240 CCOCC(=O)Nc1c(oc2ccccc12)C(=O)Nc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B11 compound treatment 0.45 0.0185 0.88 0.451 0.0156 0.94 1.2875 0.9995 3030799 ChemDiv3_010241 Cc1ncoc1C(=O)NCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B12 compound treatment 0.437 0.0055 0.26 0.443 0.00759 0.46 0.5087 0.9652 3120577 ChemDiv3_010242 CCc1ccc(NC(=O)c2cnn3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B13 compound treatment 0.465 0.0335 1.6 0.472 0.0366 2.2 2.6872 0.9875 3120578 ChemDiv3_010243 CCCSc1nnc(Cn2c(=O)sc3ccccc23)n1CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B14 compound treatment 0.44 0.0085 0.41 0.453 0.0176 1.06 1.0356 0.9131 3030805 ChemDiv3_010244 O=C(NCCc1ccsc1)c2cnn3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B15 compound treatment 0.485 0.0535 2.55 0.488 0.0526 3.17 4.0425 0.9942 3120579 ChemDiv3_010245 COc1ccc(cc1)c2cc(N)n(n2)S(=O)(=O)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B16 compound treatment 0.449 0.0175 0.83 0.463 0.0276 1.66 1.7647 0.9492 3030869 ChemDiv3_010246 CCOC(=O)N1CCc2c(C1)sc3n(CC(=O)NC(C)CC)c(=O)n(Cc4ccccc4)c(=O)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B17 compound treatment 0.498 0.0665 3.17 0.502 0.0666 4.01 5.0768 0.9932 3120580 ChemDiv3_010247 OC(=O)CSc1c2CCCc2nc3cc(ccc13)C(=O)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B18 compound treatment 0.439 0.0075 0.36 0.444 0.00859 0.52 0.6187 0.9837 3030873 ChemDiv3_010248 CC(C)NC(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B19 compound treatment 0.482 0.0505 2.41 0.483 0.0476 2.87 3.7285 0.9962 3120581 ChemDiv3_010249 COc1ccc2[nH]c3c(=O)n(CCCCC(=O)NCc4ccccc4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B20 compound treatment 0.443 0.0115 0.55 0.442 0.00659 0.4 0.6684 0.9874 3120582 ChemDiv3_010250 CCOC(=O)N1CCC(CC1)NC(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B21 compound treatment 0.442 0.0105 0.5 0.444 0.00859 0.52 0.7198 0.9999 3030877 ChemDiv3_010251 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B22 compound treatment 0.543 0.112 5.32 0.549 0.114 6.84 8.5946 0.9922 3120583 ChemDiv3_010252 O=C(NCc1ccccc1)c2ccc3SCCN(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B23 mock treatment 0.443 0.0115 0.55 0.446 0.0106 0.64 0.8387 0.9972 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 B24 mock treatment 0.436 0.0045 0.21 0.434 -0.00141 -0.08 0.0918 0.3981 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C01 compound treatment 0.425 -0.0065 -0.31 0.425 -0.0104 -0.63 -0.6621 -0.9473 3030880 ChemDiv3_010253 Nc1cccnc1NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C02 compound treatment 0.442 0.0105 0.5 0.443 0.00759 0.46 0.6772 0.999 3120584 ChemDiv3_010254 Fc1ccc(Cn2c(=O)cc([nH]c2=O)N3CCc4ccccc4C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C03 compound treatment 0.419 -0.0125 -0.6 0.424 -0.0114 -0.69 -0.907 -0.9975 3030886 ChemDiv3_010255 CCOC(=O)N1CCC(CC1)c2nc(C)sc2C(=O)NCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C04 compound treatment 0.436 0.0045 0.21 0.444 0.00859 0.52 0.5176 0.924 3030954 ChemDiv3_010256 COC(=O)c1cc(=O)n(C)/c(=N/c2ccc(F)cc2)/s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C05 compound treatment 0.418 -0.0135 -0.64 0.427 -0.00841 -0.51 -0.8129 -0.9929 3120585 ChemDiv3_010257 O=C(CCc1nc2cccnc2n1c3ccccc3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C06 compound treatment 0.421 -0.0105 -0.5 0.424 -0.0114 -0.69 -0.8395 -0.9879 3030958 ChemDiv3_010258 C=CCN1C(CC(=O)Nc2ccccc2)C(=O)N(C1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C07 compound treatment 0.423 -0.0085 -0.41 0.423 -0.0124 -0.75 -0.8147 -0.9587 3120586 ChemDiv3_010259 CN1CC(=O)N=C1NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C08 compound treatment 0.428 -0.0035 -0.17 0.434 -0.00141 -0.08 -0.1778 -0.9506 3120587 ChemDiv3_010260 COC(=O)c1ccc(NC(=O)CC2N(C3CCCC3)C(=O)N(C2=O)c4ccc(F)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C09 compound treatment 0.479 0.0475 2.26 0.474 0.0386 2.32 3.2442 0.9999 3030965 ChemDiv3_010261 COc1ccc(CCNC(=O)CSc2c3CCCCc3nc4cc(Cl)ccc24)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C10 compound treatment 0.405 -0.0265 -1.26 0.397 -0.0384 -2.31 -2.5284 -0.9595 3120588 ChemDiv3_010262 O=C(CSCc1ccccc1)Nc2cccc(c2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C11 compound treatment 0.422 -0.0095 -0.45 0.426 -0.00941 -0.57 -0.7207 -0.9939 3120589 ChemDiv3_010263 Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCN(Cc5ccccc5)CC4)c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C12 compound treatment 0.55 0.118 5.65 0.54 0.105 6.3 8.4474 0.9985 3030968 ChemDiv3_010264 O=C(Cc1ccccc1)Nc2ccc(cc2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C13 compound treatment 0.433 0.0015 0.07 0.434 -0.00141 -0.08 -0.0093 -0.084 3120590 ChemDiv3_010265 CC(C)Nc1cc(Br)c2noc3-c4ccccc4C(=O)c1c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C14 compound treatment 0.456 0.0245 1.17 0.453 0.0176 1.06 1.5749 0.9988 3120591 ChemDiv3_010266 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)N3CCn4c3nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C15 compound treatment 0.423 -0.0085 -0.41 0.416 -0.0194 -1.17 -1.1127 -0.8998 3031039 ChemDiv3_010267 O=C(Nc1ccccc1)C2N(C(=O)C[n+]3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C16 compound treatment 0.427 -0.0045 -0.21 0.431 -0.00441 -0.27 -0.3393 -0.9944 3120755 ChemDiv3_010268 Cn1c(=O)n(C)c2ccc(cc2c1=O)S(=O)(=O)NCCC(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C17 compound treatment 0.425 -0.0065 -0.31 0.425 -0.0104 -0.63 -0.6621 -0.9473 3031045 ChemDiv3_010269 Cc1cc(on1)C(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C18 compound treatment 0.466 0.0345 1.64 0.463 0.0276 1.66 2.3377 1.0 3120756 ChemDiv3_010270 COc1ccc(cc1)C2=NOC(C2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C19 compound treatment 0.422 -0.0095 -0.45 0.416 -0.0194 -1.17 -1.1464 -0.9149 3120757 ChemDiv3_010271 CC(C)c1ccc(cc1)N(CC(=O)N2CCCC2)S(=O)(=O)c3c(C)nn(C)c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C20 compound treatment 0.421 -0.0105 -0.5 0.417 -0.0184 -1.11 -1.1376 -0.9355 3031051 ChemDiv3_010272 Fc1ccc(cc1)C2=NOC(C2)C(=O)Nc3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C21 compound treatment 0.411 -0.0205 -0.98 0.412 -0.0234 -1.41 -1.6875 -0.984 3032301 ChemDiv3_010273 CCOc1ccc(CCNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C22 compound treatment 0.419 -0.0125 -0.6 0.428 -0.00741 -0.45 -0.7367 -0.9898 3032302 ChemDiv3_010274 Fc1ccccc1C2=NOC(C2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C23 mock treatment 0.411 -0.0205 -0.98 0.413 -0.0224 -1.35 -1.6449 -0.9875 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 C24 mock treatment 0.421 -0.0105 -0.5 0.42 -0.0154 -0.93 -1.0098 -0.9581 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D01 compound treatment 0.45 0.0185 0.88 0.451 0.0156 0.94 1.2875 0.9995 3032303 ChemDiv3_010275 CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c3ccc(SC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D02 compound treatment 0.433 0.0015 0.07 0.438 0.00259 0.16 0.161 0.9373 3032304 ChemDiv3_010276 Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D03 compound treatment 0.476 0.0445 2.12 0.471 0.0356 2.14 3.0154 1.0 3032305 ChemDiv3_010277 Clc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCc5ccccc45)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D04 compound treatment 0.459 0.0275 1.31 0.445 0.00959 0.58 1.3354 0.9322 3120758 ChemDiv3_010278 NS(=O)(=O)c1ccc(CCNc2nc3c(nnn3c4ccccc24)c5ccc(Cl)cc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D05 compound treatment 0.521 0.0895 4.27 0.517 0.0816 4.91 6.4907 0.9975 3032306 ChemDiv3_010279 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D06 compound treatment 0.439 0.0075 0.36 0.439 0.00359 0.22 0.4058 0.9711 3032307 ChemDiv3_010280 CSc1nc(nc2Oc3ccccc3Cc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D07 compound treatment 0.439 0.0075 0.36 0.45 0.0146 0.88 0.8741 0.9215 3120759 ChemDiv3_010281 Clc1c2CCCc2nc3cc(ccc13)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D08 compound treatment 0.438 0.0065 0.31 0.44 0.00459 0.28 0.4147 0.9984 3120760 ChemDiv3_010282 Cc1nc2c3ccccc3n4c(CCCC(=O)NCc5ccc(C)cc5)nnc4n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D09 compound treatment 0.441 0.0095 0.45 0.442 0.00659 0.4 0.6009 0.9978 3032308 ChemDiv3_010283 CC1CCCCC1NC(=O)Cn2ncc3c(=O)oc4ccccc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D10 compound treatment 0.556 0.125 5.93 0.55 0.115 6.9 9.0754 0.9972 3120761 ChemDiv3_010284 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D11 compound treatment 0.443 0.0115 0.55 0.448 0.0126 0.76 0.9238 0.9873 3032309 ChemDiv3_010285 Cc1ncoc1C(=O)NCCC(c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D12 compound treatment 0.435 0.0035 0.17 0.439 0.00359 0.22 0.271 0.9917 3120762 ChemDiv3_010286 CCOC(=O)N1CCN(CC1)C(=O)c2cnn3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D13 compound treatment 0.432 5.0E-4 0.02 0.453 0.0176 1.06 0.7659 0.7228 3120763 ChemDiv3_010287 CSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D14 compound treatment 0.44 0.0085 0.41 0.434 -0.00141 -0.08 0.2266 0.5475 3032310 ChemDiv3_010288 O=C(NCC1CCN(C1)C2CCCC2)c3cnn4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D15 compound treatment 0.444 0.0125 0.6 0.444 0.00859 0.52 0.7872 0.9975 3120764 ChemDiv3_010289 CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D16 compound treatment 0.452 0.0205 0.98 0.46 0.0246 1.48 1.7381 0.9797 3032311 ChemDiv3_010290 Cc1nc2c3ccccc3n(CC(=O)c4ccc(Br)cc4)c(=O)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D17 compound treatment 0.444 0.0125 0.6 0.446 0.0106 0.64 0.8724 0.9994 3120765 ChemDiv3_010291 CC1CC(C)CN(CCCNC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D18 compound treatment 0.442 0.0105 0.5 0.446 0.0106 0.64 0.805 0.9928 3120766 ChemDiv3_010292 CN(C(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D19 compound treatment 0.517 0.0855 4.08 0.495 0.0596 3.59 5.4192 0.998 3032312 ChemDiv3_010293 COc1ccc2[nH]c3c(=O)n(CC(=O)NCCc4ccc(OC)c(OC)c4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D20 compound treatment 0.422 -0.0095 -0.45 0.432 -0.00341 -0.21 -0.4652 -0.9358 3120767 ChemDiv3_010294 CN(Cc1ccccc1)C(=O)C2CCCN2S(=O)(=O)c3ccc4n(C)c(=O)c(=O)n(C)c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D21 compound treatment 0.432 5.0E-4 0.02 0.43 -0.00541 -0.33 -0.2133 -0.6536 3120768 ChemDiv3_010295 Cn1cccc1Cc2nnc(SCC(=O)NC3CCCCC3)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D22 compound treatment 0.43 -0.0015 -0.07 0.432 -0.00341 -0.21 -0.1956 -0.9005 3032313 ChemDiv3_010296 O=C(NC1CC1)c2ccc3SCCN(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D23 mock treatment 0.433 0.0015 0.07 0.431 -0.00441 -0.27 -0.137 -0.4987 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 D24 mock treatment 0.43 -0.0015 -0.07 0.432 -0.00341 -0.21 -0.1956 -0.9005 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E01 compound treatment 0.444 0.0125 0.6 0.437 0.00159 0.1 0.4892 0.8105 3120769 ChemDiv3_010297 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)O)c(C)nc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E02 compound treatment 0.447 0.0155 0.74 0.443 0.00759 0.46 0.8458 0.9734 3032314 ChemDiv3_010298 CC1CN(CC(C)O1)c2cc(=O)n(c3ccc(Cl)cc3)c(=O)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E03 compound treatment 0.513 0.0815 3.89 0.516 0.0806 4.85 6.1784 0.9939 3120770 ChemDiv3_010299 CCOC(=O)c1cnn(c1C2CCN(CC2)C(=O)OC(C)(C)C)c3ccc(cc3)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E04 compound treatment 0.443 0.0115 0.55 0.441 0.00559 0.34 0.6258 0.9726 3120771 ChemDiv3_010300 COc1ccc(NC(=O)CC2N(C(C)C)C(=O)N(C2=O)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E05 compound treatment 0.446 0.0145 0.69 0.445 0.00959 0.58 0.8972 0.996 3032315 ChemDiv3_010301 O=C(CCc1nc2cccnc2n1c3ccccc3)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E06 compound treatment 0.452 0.0205 0.98 0.452 0.0166 1.0 1.3975 0.9999 3120772 ChemDiv3_010302 CCOC(=O)c1ccc(NC(=O)CC2N(Cc3cccs3)C(=O)N(C2=O)c4ccc(F)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E07 compound treatment 0.534 0.102 4.89 0.541 0.106 6.36 7.9507 0.9915 3032316 ChemDiv3_010303 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3cc4c(Cl)nc5ccc(C)cc5c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E08 compound treatment 0.556 0.125 5.93 0.57 0.135 8.1 9.9269 0.9883 3120773 ChemDiv3_010304 CCOc1ccc(cc1)c2cc(CCCC(=O)Nc3ccc(CC)cc3)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E09 compound treatment 0.447 0.0155 0.74 0.452 0.0166 1.0 1.2289 0.989 3032317 ChemDiv3_010305 CN(Cc1ccccc1)C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E10 compound treatment 0.448 0.0165 0.79 0.441 0.00559 0.34 0.7943 0.9284 3120774 ChemDiv3_010306 Cc1ccc(cc1NC(=O)CC(C)(C)C)c2cn3cccnc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E11 compound treatment 0.444 0.0125 0.6 0.437 0.00159 0.1 0.4892 0.8105 3120775 ChemDiv3_010307 Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cccnc4)c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E12 compound treatment 0.435 0.0035 0.17 0.436 5.94E-4 0.04 0.1433 0.8396 3032318 ChemDiv3_010308 Cc1c(nc2ncccn12)c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E13 compound treatment 0.495 0.0635 3.03 0.505 0.0696 4.19 5.1034 0.9873 3120776 ChemDiv3_010309 CC(C)CNc1cc(NCCO)c2C(=O)c3ccccc3-c4onc1c42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E14 compound treatment 0.439 0.0075 0.36 0.434 -0.00141 -0.08 0.1929 0.5251 3120777 ChemDiv3_010310 COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E15 compound treatment 0.436 0.0045 0.21 0.448 0.0126 0.76 0.6879 0.8729 3032319 ChemDiv3_010311 Cc1cccc(C)c1/N=C/2\Oc3ccccc3NC2(C)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E16 compound treatment 0.449 0.0175 0.83 0.443 0.00759 0.46 0.9132 0.9599 3120778 ChemDiv3_010312 CC1CCCN(C1)C(=O)CCNS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E17 compound treatment 0.446 0.0145 0.69 0.443 0.00759 0.46 0.8121 0.9799 3032320 ChemDiv3_010313 Cc1cc(on1)C(=O)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E18 compound treatment 0.44 0.0085 0.41 0.45 0.0146 0.88 0.9078 0.9382 3032321 ChemDiv3_010314 COc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E19 compound treatment 0.472 0.0405 1.93 0.465 0.0296 1.78 2.6251 0.9992 3120779 ChemDiv3_010315 O=C(Nc1ccc(Cc2ccncc2)cc1)c3cc4ccccn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E20 compound treatment 0.443 0.0115 0.55 0.435 -4.06E-4 -0.02 0.3703 0.6749 3120780 ChemDiv3_010316 Fc1ccc(cc1)C2=NOC(C2)C(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E21 compound treatment 0.493 0.0615 2.93 0.483 0.0476 2.87 4.0993 0.9999 3032322 ChemDiv3_010317 CCc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E22 compound treatment 0.43 -0.0015 -0.07 0.439 0.00359 0.22 0.1024 0.4495 3120781 ChemDiv3_010318 CN(C(=O)C1CC(=NO1)c2ccccc2F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E23 mock treatment 0.429 -0.0025 -0.12 0.431 -0.00441 -0.27 -0.2719 -0.9348 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 E24 mock treatment 0.444 0.0125 0.6 0.439 0.00359 0.22 0.5743 0.906 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F01 compound treatment 0.498 0.0665 3.17 0.491 0.0556 3.35 4.6084 0.9996 3120961 ChemDiv3_010319 CCc1ccc(NC(=O)Cn2cc(c(=O)c3ccccc23)S(=O)(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F02 compound treatment 0.446 0.0145 0.69 0.45 0.0146 0.88 1.1101 0.9929 3032323 ChemDiv3_010320 CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F03 compound treatment 0.485 0.0535 2.55 0.488 0.0526 3.17 4.0425 0.9942 3120962 ChemDiv3_010321 Clc1ccc(Cn2nnc3c(=O)n(CC(=O)NC4CCCCC4)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F04 compound treatment 0.445 0.0135 0.64 0.447 0.0116 0.7 0.9487 0.9992 3032324 ChemDiv3_010322 CC(=O)NCCNc1nc2c(nnn2c3ccccc13)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F05 compound treatment 0.472 0.0405 1.93 0.478 0.0426 2.56 3.1786 0.9902 3120963 ChemDiv3_010323 COc1cccc(c1)n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F06 compound treatment 0.447 0.0155 0.74 0.446 0.0106 0.64 0.9735 0.9973 3120964 ChemDiv3_010324 O=C(CSc1nc(nc2Oc3ccccc3Cc12)c4ccccc4)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F07 compound treatment 0.477 0.0455 2.17 0.487 0.0516 3.11 3.7303 0.9846 3032325 ChemDiv3_010325 CCN(CC)S(=O)(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F08 compound treatment 0.456 0.0245 1.17 0.459 0.0236 1.42 1.8303 0.9953 3120965 ChemDiv3_010326 OC(=O)CCCc1nnc2n3nc(nc3c4ccccc4n12)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F09 compound treatment 0.453 0.0215 1.02 0.436 5.94E-4 0.04 0.75 0.7313 3120966 ChemDiv3_010327 CC(C)N(C1CCCCC1)C(=O)Cn2ncc3c(=O)oc4ccccc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F10 compound treatment 0.52 0.0885 4.22 0.53 0.0946 5.7 7.0104 0.9891 3032326 ChemDiv3_010328 Cc1cccc(OCC(=O)Nc2c(oc3ccccc23)C(=O)Nc4cccc(F)c4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F11 compound treatment 0.444 0.0125 0.6 0.443 0.00759 0.46 0.7446 0.9914 3120967 ChemDiv3_010329 Cc1ncoc1C(=O)Nc2ccccc2F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F12 compound treatment 0.444 0.0125 0.6 0.444 0.00859 0.52 0.7872 0.9975 3032327 ChemDiv3_010330 O=C(N1CCc2ccccc12)c3cnn4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F13 compound treatment 0.454 0.0225 1.07 0.462 0.0266 1.6 1.8906 0.981 3120968 ChemDiv3_010331 Clc1cccc(c1)n2c(Cn3c(=O)sc4ccccc34)nnc2SCc5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F14 compound treatment 0.447 0.0155 0.74 0.444 0.00859 0.52 0.8883 0.9848 3120969 ChemDiv3_010332 CCOC(=O)c1cnn(CCOC(=O)c2ccccc2F)c1NC(=O)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F15 compound treatment 0.45 0.0185 0.88 0.451 0.0156 0.94 1.2875 0.9995 3032328 ChemDiv3_010333 CCC(C)NC(=O)c1ccc2c(Cl)c3CCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F16 compound treatment 0.458 0.0265 1.26 0.451 0.0156 0.94 1.5572 0.9893 3120970 ChemDiv3_010334 COc1ccccc1NC(=O)Cn2c(=O)n3nc(C)nc3c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F17 compound treatment 0.499 0.0675 3.22 0.494 0.0586 3.53 4.7699 0.9989 3032329 ChemDiv3_010335 CCN(C(=O)c1ccc2c(SCC(=O)O)c3CCCc3nc2c1)c4cc(Cl)ccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F18 compound treatment 0.456 0.0245 1.17 0.447 0.0116 0.7 1.3194 0.9697 3120971 ChemDiv3_010336 COC(CNC(=O)Cn1nc(Cc2ccncc2)c3ccccc3c1=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F19 compound treatment 0.535 0.103 4.93 0.538 0.103 6.18 7.8566 0.9938 3120972 ChemDiv3_010337 COc1ccc2[nH]c3c(=O)n(CC(=O)NC4CCCCCC4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F20 compound treatment 0.48 0.0485 2.31 0.49 0.0546 3.29 3.9591 0.9852 3032330 ChemDiv3_010338 CN(C)/C=C/c1onc(C)c1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F21 compound treatment 0.443 0.0115 0.55 0.446 0.0106 0.64 0.8387 0.9972 3120973 ChemDiv3_010339 Cn1cccc1Cc2nnc(SCC(=O)NCc3ccco3)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F22 compound treatment 0.514 0.0825 3.93 0.513 0.0776 4.67 6.0844 0.9963 3032331 ChemDiv3_010340 CC(C)CCNC(=O)c1ccc2SCCN(Cc3ccccc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F23 mock treatment 0.434 0.0025 0.12 0.456 0.0206 1.24 0.961 0.7715 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 F24 mock treatment 0.444 0.0125 0.6 0.439 0.00359 0.22 0.5743 0.906 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G01 compound treatment 0.428 -0.0035 -0.17 0.445 0.00959 0.58 0.2905 0.4831 3120974 ChemDiv3_010341 CN(Cc1ccccc1)C(=O)CCc2nc3cccnc3n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G02 compound treatment 0.438 0.0065 0.31 0.438 0.00259 0.16 0.3295 0.9497 3120975 ChemDiv3_010342 Clc1ccc(cc1)n2c(=O)cc([nH]c2=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G03 compound treatment 0.43 -0.0015 -0.07 0.428 -0.00741 -0.45 -0.3659 -0.8101 3032332 ChemDiv3_010343 NCc1ccc2cc[nH]c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G04 compound treatment 0.436 0.0045 0.21 0.44 0.00459 0.28 0.3473 0.9921 3120976 ChemDiv3_010344 CCNC(=O)CC1N(CCOC)C(=O)N(C1=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G05 compound treatment 0.442 0.0105 0.5 0.433 -0.00241 -0.14 0.2515 0.4826 3032333 ChemDiv3_010345 O=C(CCc1nc2cccnc2n1c3ccccc3)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G06 compound treatment 0.495 0.0635 3.03 0.488 0.0526 3.17 4.3796 0.9997 3120977 ChemDiv3_010346 COC(=O)c1cc(=O)n(CCc2ccccc2)/c(=N/CCc3ccccc3)/s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G07 compound treatment 0.44 0.0085 0.41 0.44 0.00459 0.28 0.4821 0.9827 3032334 ChemDiv3_010347 CN1CCN(CCNC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G08 compound treatment 0.492 0.0605 2.88 0.504 0.0686 4.13 4.9597 0.9846 3032480 ChemDiv3_010348 CCOc1ccc(cc1)c2cc(CCCC(=O)NCCc3ccccc3)no2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G09 compound treatment 0.442 0.0105 0.5 0.43 -0.00541 -0.33 0.1238 0.2073 3032481 ChemDiv3_010349 CC1CCCCN1C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G10 compound treatment 0.438 0.0065 0.31 0.447 0.0116 0.7 0.7127 0.9332 3032483 ChemDiv3_010350 CCCC(CCC)C(=O)Nc1cc(ccc1C)c2cn3cccnc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G11 compound treatment 0.432 5.0E-4 0.02 0.433 -0.00241 -0.14 -0.0856 -0.5829 3032484 ChemDiv3_010351 CCCN(CCC)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G12 compound treatment 0.444 0.0125 0.6 0.436 5.94E-4 0.04 0.4466 0.7482 3032486 ChemDiv3_010352 Clc1ccc(NC(=O)Nc2cccc(c2)c3cn4cccnc4n3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G13 compound treatment 0.443 0.0115 0.55 0.445 0.00959 0.58 0.7961 0.9997 3032542 ChemDiv3_010353 CN1C(C(=O)Nc2ccccc2)c3cccc[n+]3CC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G14 compound treatment 0.48 0.0485 2.31 0.461 0.0256 1.54 2.7245 0.9806 3032543 ChemDiv3_010354 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc3nc4ccc(Cl)cc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G15 compound treatment 0.407 -0.0245 -1.17 0.41 -0.0254 -1.53 -1.9075 -0.9911 3032545 ChemDiv3_010355 C/C(=C\C(=N\c1ccccc1O)\c2ccccn2)/c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G16 compound treatment 0.434 0.0025 0.12 0.438 0.00259 0.16 0.1947 0.9911 3032546 ChemDiv3_010356 Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G17 compound treatment 0.44 0.0085 0.41 0.445 0.00959 0.58 0.695 0.985 3032549 ChemDiv3_010357 COc1ccc(CCNC(=O)c2cc(C)no2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G18 compound treatment 0.446 0.0145 0.69 0.446 0.0106 0.64 0.9398 0.9992 3032550 ChemDiv3_010358 CCCNC(=O)C1CC(=NO1)c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G19 compound treatment 0.43 -0.0015 -0.07 0.434 -0.00141 -0.08 -0.1104 -0.9965 3032552 ChemDiv3_010359 Clc1ccccc1CNC(=O)c2cc3ccccn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G20 compound treatment 0.439 0.0075 0.36 0.426 -0.00941 -0.57 -0.1477 -0.2205 3120978 ChemDiv3_010360 CC1CCCC(C)N1C(=O)C2CC(=NO2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G21 compound treatment 0.435 0.0035 0.17 0.436 5.94E-4 0.04 0.1433 0.8396 3032553 ChemDiv3_010361 Cc1nc2ccccc2c3oc(cc13)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G22 compound treatment 0.435 0.0035 0.17 0.428 -0.00741 -0.45 -0.1973 -0.4145 3120979 ChemDiv3_010362 Fc1ccccc1C2=NOC(C2)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G23 mock treatment 0.429 -0.0025 -0.12 0.426 -0.00941 -0.57 -0.4847 -0.8376 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 G24 mock treatment 0.43 -0.0015 -0.07 0.435 -4.06E-4 -0.02 -0.0679 -0.8979 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H01 compound treatment 0.446 0.0145 0.69 0.441 0.00559 0.34 0.7269 0.9454 3120980 ChemDiv3_010363 Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H02 compound treatment 0.454 0.0225 1.07 0.456 0.0206 1.24 1.6352 0.9974 3032556 ChemDiv3_010364 CCc1nn2c(=O)cc(COc3ccc(/C=C\4/C(=N)N5C=CSC5=NC4=O)cc3OC)nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H03 compound treatment 0.439 0.0075 0.36 0.438 0.00259 0.16 0.3632 0.931 3120981 ChemDiv3_010365 COC(=O)Cn1cnc2n(Cc3ccc(Cl)cc3)nnc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H04 compound treatment 0.458 0.0265 1.26 0.46 0.0246 1.48 1.9403 0.9969 3120982 ChemDiv3_010366 CNc1nc2c(nnn2c3ccccc13)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H05 compound treatment 0.466 0.0345 1.64 0.476 0.0406 2.44 2.8912 0.9814 3032558 ChemDiv3_010367 COc1ccc(cc1)n2nnc3c(=O)n(Cc4cccc(c4)C(F)(F)F)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H06 compound treatment 0.52 0.0885 4.22 0.508 0.0726 4.37 6.0738 0.9998 3120983 ChemDiv3_010368 CCOc1cccc2Cc3c(SCC(=O)N(CC)CC)nc(nc3Oc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H07 compound treatment 0.572 0.141 6.7 0.568 0.133 7.98 10.3811 0.9962 3032561 ChemDiv3_010369 Cc1ccc2cc3c(N)nn(C(=O)c4ccccc4F)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H08 compound treatment 0.431 -5.0E-4 -0.02 0.435 -4.06E-4 -0.02 -0.0341 -0.9999 3120984 ChemDiv3_010370 O=C(NCc1ccccc1)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H09 compound treatment 0.434 0.0025 0.12 0.436 5.94E-4 0.04 0.1095 0.8805 3120985 ChemDiv3_010371 COC(CNC(=O)Cn1ncc2c(=O)oc3ccccc3c12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H10 compound treatment 0.556 0.125 5.93 0.542 0.107 6.42 8.7348 0.9992 3032563 ChemDiv3_010372 Fc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H11 compound treatment 0.438 0.0065 0.31 0.441 0.00559 0.34 0.4573 0.9991 3120986 ChemDiv3_010373 Cc1ncoc1C(=O)Nc2ccccc2C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H12 compound treatment 0.437 0.0055 0.26 0.433 -0.00241 -0.14 0.0829 0.2769 3032565 ChemDiv3_010374 O=C(N1CCCc2ccccc12)c3cnn4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H13 compound treatment 0.437 0.0055 0.26 0.449 0.0136 0.82 0.7641 0.8891 3120987 ChemDiv3_010375 CCOC(=O)C(C)Sc1nnc(Cn2c(=O)sc3ccccc23)n1c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H14 compound treatment 0.454 0.0225 1.07 0.483 0.0476 2.87 2.7847 0.9101 3120988 ChemDiv3_010376 CCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H15 compound treatment 0.449 0.0175 0.83 0.445 0.00959 0.58 0.9983 0.9839 3032567 ChemDiv3_010377 CCc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H16 compound treatment 0.435 0.0035 0.17 0.435 -4.06E-4 -0.02 0.1007 0.5971 3121170 ChemDiv3_010378 Brc1ccc(cc1)C(=O)Cn2c(=O)n3nc(nc3c4ccccc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H17 compound treatment 0.457 0.0255 1.22 0.455 0.0196 1.18 1.6937 0.9999 3032569 ChemDiv3_010379 CC(C)CCNC(=O)c1ccc2c(SCC(=O)O)c3CCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H18 compound treatment 0.514 0.0825 3.93 0.518 0.0826 4.97 6.2973 0.9932 3121171 ChemDiv3_010380 O=C(Cn1nc(Cc2cccnc2)c3ccccc3c1=O)Nc4ccc(Oc5ccccc5)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H19 compound treatment 0.536 0.105 4.98 0.528 0.0926 5.58 7.4646 0.9984 3121172 ChemDiv3_010381 COc1ccc2[nH]c3c(=O)n(CC(=O)N(C)Cc4ccccc4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H20 compound treatment 0.425 -0.0065 -0.31 0.427 -0.00841 -0.51 -0.577 -0.9723 3032571 ChemDiv3_010382 CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H21 compound treatment 0.436 0.0045 0.21 0.434 -0.00141 -0.08 0.0918 0.3981 3032607 ChemDiv3_010383 Cc1ccc(cc1)n2c(Cc3cccn3C)nnc2SCC(=O)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H22 compound treatment 0.54 0.109 5.17 0.535 0.0996 6.0 7.8975 0.9973 3032608 ChemDiv3_010384 O=C(NCCc1ccccc1)c2ccc3SCCN(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H23 mock treatment 0.443 0.0115 0.55 0.432 -0.00341 -0.21 0.2426 0.4145 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 H24 mock treatment 0.426 -0.0055 -0.26 0.437 0.00159 0.1 -0.1175 -0.421 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I01 compound treatment 0.437 0.0055 0.26 0.438 0.00259 0.16 0.2958 0.9694 3032609 ChemDiv3_010385 O=C(CCc1nc2cccnc2n1Cc3ccccc3)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I02 compound treatment 0.466 0.0345 1.64 0.459 0.0236 1.42 2.1674 0.9973 3032611 ChemDiv3_010386 Brc1ccc(cc1)n2c(=O)cc(NCc3ccco3)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I03 compound treatment 0.437 0.0055 0.26 0.437 0.00159 0.1 0.2532 0.9071 1060194 ChemDiv3_010387 Cc1cccc(c1)C(=O)NN 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I04 compound treatment 0.478 0.0465 2.22 0.483 0.0476 2.87 3.5937 0.9919 3032613 ChemDiv3_010388 COC(=O)c1ccc(/N=c/2\sc(cc(=O)n2Cc3ccccc3)C(=O)OC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I05 compound treatment 0.442 0.0105 0.5 0.438 0.00259 0.16 0.4644 0.8856 3032614 ChemDiv3_010389 CN(Cc1ccccc1)C(=O)CCc2nc3cccnc3n2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I06 compound treatment 0.447 0.0155 0.74 0.44 0.00459 0.28 0.718 0.9101 3121173 ChemDiv3_010390 Cc1ccc(cc1)N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc4ccc5OCOc5c4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I07 compound treatment 0.442 0.0105 0.5 0.429 -0.00641 -0.39 0.0812 0.1285 3032616 ChemDiv3_010391 CN(C)CCN(Cc1ccco1)C(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I08 compound treatment 0.445 0.0135 0.64 0.442 0.00659 0.4 0.7358 0.9731 3121174 ChemDiv3_010392 COc1ccc(cc1)C(=O)N2CCN(CC2)c3ccc(nn3)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I09 compound treatment 0.436 0.0045 0.21 0.449 0.0136 0.82 0.7304 0.8633 3032618 ChemDiv3_010393 CC(C)NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I10 compound treatment 0.457 0.0255 1.22 0.447 0.0116 0.7 1.3531 0.9653 3121175 ChemDiv3_010394 Cc1ccc(cc1NC(=O)c2ccccc2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I11 compound treatment 0.481 0.0495 2.36 0.448 0.0126 0.76 2.2047 0.8895 3121176 ChemDiv3_010395 Cc1cc2ccccc2n1C(=O)Cn3ncc4c(=O)oc5ccc(C)cc5c34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I12 compound treatment 0.451 0.0195 0.93 0.453 0.0176 1.06 1.4063 0.9979 3032620 ChemDiv3_010396 Cc1ccc(cc1NC(=O)Nc2ccccc2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I13 compound treatment 0.447 0.0155 0.74 0.446 0.0106 0.64 0.9735 0.9973 3121177 ChemDiv3_010397 CN1C(C(=O)Nc2c(C)cccc2C)c3cccc[n+]3CC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I14 compound treatment 0.459 0.0275 1.31 0.457 0.0216 1.3 1.8463 1.0 3032623 ChemDiv3_010398 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I15 compound treatment 0.431 -5.0E-4 -0.02 0.43 -0.00541 -0.33 -0.247 -0.7569 3121178 ChemDiv3_010399 Cc1ccccc1NC(=O)C2N(Cc3ccc4OCOc4c3)C(=O)C[n+]5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I16 compound treatment 0.462 0.0305 1.45 0.449 0.0136 0.82 1.6068 0.9631 3121179 ChemDiv3_010400 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCC(CC3)C(=O)NCCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I17 compound treatment 0.448 0.0165 0.79 0.455 0.0196 1.18 1.3904 0.9806 3032627 ChemDiv3_010401 Cc1cc(on1)C(=O)Nc2sc3CCCCc3c2C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I18 compound treatment 0.44 0.0085 0.41 0.453 0.0176 1.06 1.0356 0.9131 3121180 ChemDiv3_010402 COc1ccc(cc1)C2=NOC(C2)C(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I19 compound treatment 0.437 0.0055 0.26 0.426 -0.00941 -0.57 -0.2151 -0.3446 3032629 ChemDiv3_010403 O=C(N1CCC2(CC1)OCCO2)c3cc4ccccn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I20 compound treatment 0.463 0.0315 1.5 0.461 0.0256 1.54 2.1514 0.9999 3121181 ChemDiv3_010404 Fc1ccc(cc1)C2=NOC(C2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I21 compound treatment 0.427 -0.0045 -0.21 0.44 0.00459 0.28 0.0439 0.1254 3032631 ChemDiv3_010405 COC(CN(C)C(=O)c1cc2c(C)nc3ccccc3c2o1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I22 compound treatment 0.444 0.0125 0.6 0.441 0.00559 0.34 0.6595 0.9635 3121182 ChemDiv3_010406 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I23 mock treatment 0.428 -0.0035 -0.17 0.433 -0.00241 -0.14 -0.2204 -0.9975 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 I24 mock treatment 0.43 -0.0015 -0.07 0.442 0.00659 0.4 0.2302 0.5706 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J01 compound treatment 0.493 0.0615 2.93 0.467 0.0316 1.9 3.4181 0.9781 3032633 ChemDiv3_010407 Cc1ccc(Cn2nnc3c(=O)n(Cc4cccc(C)c4)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J02 compound treatment 0.486 0.0545 2.6 0.476 0.0406 2.44 3.5653 0.9995 3032666 ChemDiv3_010408 CC(N1C(=O)NC(=O)/C(=C/c2coc3ccccc3c2=O)/C1=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J03 compound treatment 0.437 0.0055 0.26 0.443 0.00759 0.46 0.5087 0.9652 3032667 ChemDiv3_010409 CCOC(=O)Cn1cnc2n(nnc2c1=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J04 compound treatment 0.466 0.0345 1.64 0.466 0.0306 1.84 2.4654 0.9984 3032669 ChemDiv3_010410 COc1ccccc1CNc2nc3c(nnn3c4ccccc24)c5cccc(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J05 compound treatment 0.437 0.0055 0.26 0.437 0.00159 0.1 0.2532 0.9071 3032670 ChemDiv3_010411 CNC(=S)NCCc1c(C)[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J06 compound treatment 0.444 0.0125 0.6 0.434 -0.00141 -0.08 0.3615 0.6006 3032671 ChemDiv3_010412 COC(=O)CSc1nc(nc2Oc3ccc(Br)cc3Cc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J07 compound treatment 0.527 0.0955 4.55 0.532 0.0966 5.82 7.3315 0.9927 3032673 ChemDiv3_010413 COc1ccc2nc3[nH]nc(NC(=O)Cc4ccccc4OC)c3cc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J08 compound treatment 0.437 0.0055 0.26 0.438 0.00259 0.16 0.2958 0.9694 3121183 ChemDiv3_010414 O=C(Cc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J09 compound treatment 0.437 0.0055 0.26 0.443 0.00759 0.46 0.5087 0.9652 3032676 ChemDiv3_010415 O=C(Cn1nc(Cc2ccncc2)c3ccccc3c1=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J10 compound treatment 0.521 0.0895 4.27 0.516 0.0806 4.85 6.4481 0.9979 3121184 ChemDiv3_010416 Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J11 compound treatment 0.44 0.0085 0.41 0.438 0.00259 0.16 0.3969 0.9141 3032678 ChemDiv3_010417 Cc1ncoc1C(=O)Nc2ccc(cc2)C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J12 compound treatment 0.435 0.0035 0.17 0.427 -0.00841 -0.51 -0.2399 -0.4502 3121185 ChemDiv3_010418 CSc1cccc(NC(=O)c2cnn3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J13 compound treatment 0.441 0.0095 0.45 0.441 0.00559 0.34 0.5584 0.9894 3121186 ChemDiv3_010419 OC(=O)CSc1nnc(Cn2c(=O)sc3ccccc23)n1c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J14 compound treatment 0.435 0.0035 0.17 0.431 -0.00441 -0.27 -0.0696 -0.2221 3032680 ChemDiv3_010420 CCOC(=O)c1cnn(CCOC(=O)c2cccs2)c1NC(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J15 compound treatment 0.435 0.0035 0.17 0.443 0.00759 0.46 0.4413 0.9067 3121187 ChemDiv3_010421 CN(C(=O)c1ccc2c(Cl)c3CCCc3nc2c1)c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J16 compound treatment 0.444 0.0125 0.6 0.435 -4.06E-4 -0.02 0.404 0.6775 3032682 ChemDiv3_010422 Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc5ccc(Cl)cc5)c(=O)n3n2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J17 compound treatment 0.47 0.0385 1.84 0.48 0.0446 2.68 3.1963 0.9828 3121188 ChemDiv3_010423 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NCc5cccnc5)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J18 compound treatment 0.434 0.0025 0.12 0.437 0.00159 0.1 0.1521 0.9942 3121189 ChemDiv3_010424 CN(C1CCCCC1)C(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J19 compound treatment 0.456 0.0245 1.17 0.459 0.0236 1.42 1.8303 0.9953 3032684 ChemDiv3_010425 COc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(CC4)c5ccc(F)cc5)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J20 compound treatment 0.438 0.0065 0.31 0.435 -4.06E-4 -0.02 0.2018 0.6493 3121190 ChemDiv3_010426 O=C(C1CCCN(C1)S(=O)(=O)c2cccc3cccnc23)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J21 compound treatment 0.434 0.0025 0.12 0.434 -0.00141 -0.08 0.0244 0.1669 3032686 ChemDiv3_010427 CCOC(=O)N1CCN(CC1)C(=O)CSc2nnc(Cc3cccn3C)n2c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J22 compound treatment 0.483 0.0515 2.45 0.486 0.0506 3.05 3.89 0.9943 3121191 ChemDiv3_010428 CCC(C)NC(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J23 mock treatment 0.425 -0.0065 -0.31 0.43 -0.00541 -0.33 -0.4493 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 J24 mock treatment 0.431 -5.0E-4 -0.02 0.441 0.00559 0.34 0.2213 0.6554 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K01 compound treatment 0.441 0.0095 0.45 0.439 0.00359 0.22 0.4732 0.9429 3121192 ChemDiv3_010429 COc1ccc(NC(=O)c2cnn(c2C3CCNCC3)c4ccc(C)c(C)c4)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K02 compound treatment 0.472 0.0405 1.93 0.458 0.0226 1.36 2.3271 0.9853 3032689 ChemDiv3_010430 Brc1ccc(cc1)n2c(=O)cc(Nc3ccc4OCOc4c3)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K03 compound treatment 0.438 0.0065 0.31 0.443 0.00759 0.46 0.5424 0.982 3121193 ChemDiv3_010431 CCCn1c(CCC(=O)Nc2ccccc2)nc3cccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K04 compound treatment 0.461 0.0295 1.41 0.461 0.0256 1.54 2.084 0.999 3032692 ChemDiv3_010432 CCn/1c(=O)cc(s\c1=N/c2ccc(F)c(F)c2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K05 compound treatment 0.47 0.0385 1.84 0.454 0.0186 1.12 2.0894 0.9719 3121194 ChemDiv3_010433 CCc1ccc(NC(=O)CCc2nc3cccnc3n2c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K06 compound treatment 0.448 0.0165 0.79 0.444 0.00859 0.52 0.9221 0.9794 3121195 ChemDiv3_010434 O=C(CC1N(C2CCCCC2)C(=O)N(C1=O)c3ccccc3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K07 compound treatment 0.592 0.161 7.65 0.546 0.111 6.66 10.1186 0.9976 3032694 ChemDiv3_010435 CC(CCc1ccco1)NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K08 compound treatment 0.435 0.0035 0.17 0.434 -0.00141 -0.08 0.0581 0.3106 3032733 ChemDiv3_010436 CCC(=O)Nc1cccc(c1)c2cn3cccnc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K09 compound treatment 0.442 0.0105 0.5 0.443 0.00759 0.46 0.6772 0.999 3032735 ChemDiv3_010437 Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4)c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K10 compound treatment 0.44 0.0085 0.41 0.436 5.94E-4 0.04 0.3118 0.7665 3032736 ChemDiv3_010438 COc1ccc(cc1NC(=O)C(C)C)c2cn3cccnc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K11 compound treatment 0.437 0.0055 0.26 0.448 0.0126 0.76 0.7216 0.8994 3032738 ChemDiv3_010439 COc1ccccc1Nc2c3CCCCc3nc4ccc(NC(=O)Cc5cccs5)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K12 compound treatment 0.477 0.0455 2.17 0.473 0.0376 2.26 3.1342 0.9998 3032739 ChemDiv3_010440 Clc1ccc(CSc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K13 compound treatment 0.451 0.0195 0.93 0.431 -0.00441 -0.27 0.4697 0.4859 3032741 ChemDiv3_010441 CCCN1C(C(=O)Nc2ccccc2C)c3cccc[n+]3CC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K14 compound treatment 0.511 0.0795 3.79 0.503 0.0676 4.07 5.5575 0.9994 3121196 ChemDiv3_010442 COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c4cc(OC)ccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K15 compound treatment 0.435 0.0035 0.17 0.433 -0.00241 -0.14 0.0155 0.0703 3032743 ChemDiv3_010443 Cc1cc(on1)C(=O)Nc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K16 compound treatment 0.451 0.0195 0.93 0.478 0.0426 2.56 2.4707 0.9057 3121374 ChemDiv3_010444 CCSc1nc2NC3=C(C(c4cccs4)n2n1)C(=O)CCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K17 compound treatment 0.432 5.0E-4 0.02 0.435 -4.06E-4 -0.02 -4.0E-4 -0.0129 3032744 ChemDiv3_010445 Cc1noc(C(=O)N2CCCc3ccccc23)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K18 compound treatment 0.444 0.0125 0.6 0.454 0.0186 1.12 1.213 0.9564 3121375 ChemDiv3_010446 COc1ccc(NC(=O)C2CC(=NO2)c3cccc(OC)c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K19 compound treatment 0.428 -0.0035 -0.17 0.432 -0.00341 -0.21 -0.263 -0.9948 3032746 ChemDiv3_010447 CC1CCN(CC1)C(=O)c2cc3c(C)nc4ccccc4c3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K20 compound treatment 0.438 0.0065 0.31 0.434 -0.00141 -0.08 0.1592 0.4957 3121376 ChemDiv3_010448 Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K21 compound treatment 0.43 -0.0015 -0.07 0.431 -0.00441 -0.27 -0.2382 -0.8668 3032749 ChemDiv3_010449 COC(CNC(=O)c1cc2c(C)nc3ccccc3c2o1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K22 compound treatment 0.438 0.0065 0.31 0.441 0.00559 0.34 0.4573 0.9991 3121377 ChemDiv3_010450 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)N(C)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K23 mock treatment 0.427 -0.0045 -0.21 0.434 -0.00141 -0.08 -0.2116 -0.9173 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 K24 mock treatment 0.438 0.0065 0.31 0.445 0.00959 0.58 0.6276 0.9574 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L01 compound treatment 0.509 0.0775 3.69 0.502 0.0666 4.01 5.4476 0.9992 3121378 ChemDiv3_010451 Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc(cc4)C(F)(F)F)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L02 compound treatment 0.452 0.0205 0.98 0.455 0.0196 1.18 1.5252 0.9956 3032752 ChemDiv3_010452 O=C/1NN(C(=O)\C1=C\c2coc3ccccc3c2=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L03 compound treatment 0.449 0.0175 0.83 0.444 0.00859 0.52 0.9558 0.9736 3121379 ChemDiv3_010453 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc45)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L04 compound treatment 0.454 0.0225 1.07 0.445 0.00959 0.58 1.1669 0.9578 3032754 ChemDiv3_010454 Brc1ccc(NC(=O)Cn2c(=O)c3ccccc3n4nncc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L05 compound treatment 0.509 0.0775 3.69 0.496 0.0606 3.65 5.1921 1.0 3121380 ChemDiv3_010455 COc1ccc2cc3c(NC(=O)Cc4cccc(c4)C(F)(F)F)n[nH]c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L06 compound treatment 0.469 0.0375 1.79 0.468 0.0326 1.96 2.6517 0.9989 3032757 ChemDiv3_010456 COc1ccc(cc1)c2nc(SCC(=O)N)c3Cc4ccccc4Oc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L07 compound treatment 0.449 0.0175 0.83 0.454 0.0186 1.12 1.3815 0.9895 3121381 ChemDiv3_010457 CC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L08 compound treatment 0.487 0.0555 2.65 0.486 0.0506 3.05 4.0248 0.9975 3032801 ChemDiv3_010458 COc1ccccc1NC(=O)c2oc3ccccc3c2NC(=O)CSCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L09 compound treatment 0.573 0.141 6.75 0.564 0.129 7.74 10.2445 0.9976 3032759 ChemDiv3_010459 O=C(NCc1ccccc1)c2cc3CSc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L10 compound treatment 0.441 0.0095 0.45 0.445 0.00959 0.58 0.7287 0.9927 1477644 ChemDiv3_010460 CCOC(=O)c1oc2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L11 compound treatment 0.448 0.0165 0.79 0.443 0.00759 0.46 0.8795 0.9667 3032761 ChemDiv3_010461 CCSc1nnc(Cn2c(=O)sc3ccccc23)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L12 compound treatment 0.442 0.0105 0.5 0.44 0.00459 0.28 0.5495 0.9609 3121382 ChemDiv3_010462 OC(C1CCN(CC1)C(=O)c2cnn3ccccc23)(c4ccccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L13 compound treatment 0.499 0.0675 3.22 0.502 0.0666 4.01 5.1105 0.9941 3121383 ChemDiv3_010463 COc1ccc2[nH]c3c(=O)n(CCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L14 compound treatment 0.437 0.0055 0.26 0.435 -4.06E-4 -0.02 0.1681 0.6384 3032802 ChemDiv3_010464 CCCCn1c(CN2CCN(CC)CC2)nc3n(C)c(=O)[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L15 compound treatment 0.46 0.0285 1.36 0.453 0.0176 1.06 1.7097 0.9924 3032803 ChemDiv3_010465 COc1cc(NC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L16 compound treatment 0.442 0.0105 0.5 0.44 0.00459 0.28 0.5495 0.9609 3032804 ChemDiv3_010466 CCN(C(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c4ccccc14)c5cccc(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L17 compound treatment 0.523 0.0915 4.36 0.511 0.0756 4.55 6.3026 0.9998 3032806 ChemDiv3_010467 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NC5CC5)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L18 compound treatment 0.439 0.0075 0.36 0.44 0.00459 0.28 0.4484 0.992 3032807 ChemDiv3_010468 O=C(Cn1nc(Cc2cccnc2)c3ccccc3c1=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L19 compound treatment 0.445 0.0135 0.64 0.446 0.0106 0.64 0.9061 1.0 3121384 ChemDiv3_010469 Cn1cccc1Cc2nnc(SCC(=O)N3CCCCC3)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L20 compound treatment 0.434 0.0025 0.12 0.444 0.00859 0.52 0.4501 0.8478 3121385 ChemDiv3_010470 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc3cccc(F)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L21 compound treatment 0.451 0.0195 0.93 0.444 0.00859 0.52 1.0232 0.9618 3032810 ChemDiv3_010471 Cn1cccc1Cc2nnc(SCC(=O)N3CCCc4ccccc34)n2c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L22 compound treatment 0.485 0.0535 2.55 0.483 0.0476 2.87 3.8297 0.9983 3121386 ChemDiv3_010472 Cc1ccc(CN2CCSc3ccc(cc23)C(=O)Nc4ccc(F)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L23 mock treatment 0.441 0.0095 0.45 0.435 -4.06E-4 -0.02 0.3029 0.6679 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 L24 mock treatment 0.438 0.0065 0.31 0.437 0.00159 0.1 0.287 0.8846 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M01 compound treatment 0.447 0.0155 0.74 0.433 -0.00241 -0.14 0.42 0.5578 3032813 ChemDiv3_010473 CCOC(=O)N1CCC(CC1)c2nc3ccccn3c2C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M02 compound treatment 0.441 0.0095 0.45 0.454 0.0186 1.12 1.1118 0.9207 3121387 ChemDiv3_010474 Cc1ccc(cc1)n2c(=O)cc([nH]c2=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M03 compound treatment 0.437 0.0055 0.26 0.439 0.00359 0.22 0.3384 0.9955 3121388 ChemDiv3_010475 CCCn1c(CCC(=O)N2CCc3ccccc3C2)nc4cccnc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M04 compound treatment 0.488 0.0565 2.69 0.485 0.0496 2.99 4.0159 0.9987 3032815 ChemDiv3_010476 COC(=O)c1cc(=O)n(c2ccccc2)/c(=N/c3ccccc3)/s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M05 compound treatment 0.468 0.0365 1.74 0.461 0.0256 1.54 2.32 0.9982 3121389 ChemDiv3_010477 COc1ccc(Cl)cc1NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M06 compound treatment 0.448 0.0165 0.79 0.444 0.00859 0.52 0.9221 0.9794 3032816 ChemDiv3_010478 CCNC(=O)CC1N(Cc2ccc(OC)cc2)C(=O)N(C1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M07 compound treatment 0.45 0.0185 0.88 0.449 0.0136 0.82 1.2023 0.9993 3121390 ChemDiv3_010479 Clc1ccc2c(SCC(=O)N3CCCCCC3)c4CCCCc4nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M08 compound treatment 0.454 0.0225 1.07 0.455 0.0196 1.18 1.5926 0.9989 3121391 ChemDiv3_010480 O=C(Nc1cccc(c1)c2cn3cccnc3n2)C4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M09 compound treatment 0.436 0.0045 0.21 0.434 -0.00141 -0.08 0.0918 0.3981 3032819 ChemDiv3_010481 CC1CCN(CCCNC(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M10 compound treatment 0.462 0.0305 1.45 0.466 0.0306 1.84 2.3306 0.9931 3121392 ChemDiv3_010482 O=C(CCC1CCCCC1)Nc2ccc(cc2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M11 compound treatment 0.47 0.0385 1.84 0.474 0.0386 2.32 2.9409 0.9932 3121393 ChemDiv3_010483 COc1ccc(Nc2c3CCCCc3nc4ccc(NC(=O)C5CC5)cc24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M12 compound treatment 0.587 0.156 7.41 0.589 0.154 9.25 11.7808 0.994 3032821 ChemDiv3_010484 CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)/SC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M13 compound treatment 0.44 0.0085 0.41 0.43 -0.00541 -0.33 0.0563 0.1084 3121394 ChemDiv3_010485 COc1ccc(cc1)N2C(C(=O)Nc3c(C)cccc3C)c4cccc[n+]4C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M14 compound treatment 0.442 0.0105 0.5 0.438 0.00259 0.16 0.4644 0.8856 3032823 ChemDiv3_010486 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc4n(C)c(=O)oc4c3)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M15 compound treatment 0.451 0.0195 0.93 0.454 0.0186 1.12 1.4489 0.9957 3121395 ChemDiv3_010487 CCc1ccc(NC(=O)c2cc(C)no2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M16 compound treatment 0.45 0.0185 0.88 0.445 0.00959 0.58 1.032 0.979 3121396 ChemDiv3_010488 COc1ccc(cc1)C2=NOC(C2)C(=O)Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M17 compound treatment 0.435 0.0035 0.17 0.432 -0.00341 -0.21 -0.027 -0.1023 3032826 ChemDiv3_010489 CCC(C)NC(=O)c1onc(C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M18 compound treatment 0.463 0.0315 1.5 0.442 0.00659 0.4 1.3425 0.8644 3121397 ChemDiv3_010490 COc1cccc(c1)C2=NOC(C2)C(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M19 compound treatment 0.429 -0.0025 -0.12 0.438 0.00259 0.16 0.0262 0.1332 3032828 ChemDiv3_010491 CCOC(=O)C1CCCN(C1)C(=O)c2cc3c(C)nc4ccccc4c3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M20 compound treatment 0.431 -5.0E-4 -0.02 0.436 5.94E-4 0.04 0.0084 0.1961 3032867 ChemDiv3_010492 Fc1ccc(cc1)C2=NOC(C2)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M21 compound treatment 0.429 -0.0025 -0.12 0.429 -0.00641 -0.39 -0.357 -0.8843 3032869 ChemDiv3_010493 CN1CCN(CCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M22 compound treatment 0.438 0.0065 0.31 0.45 0.0146 0.88 0.8404 0.902 3032870 ChemDiv3_010494 COc1ccc(OC)c(c1)C2=NOC(C2)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M23 mock treatment 0.427 -0.0045 -0.21 0.432 -0.00341 -0.21 -0.2967 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 M24 mock treatment 0.439 0.0075 0.36 0.441 0.00559 0.34 0.491 0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N01 compound treatment 0.451 0.0195 0.93 0.444 0.00859 0.52 1.0232 0.9618 3032871 ChemDiv3_010495 CCOC(=O)C(C)n1cnc2n(Cc3ccc(C)cc3)nnc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N02 compound treatment 0.389 -0.0425 -2.03 0.4 -0.0354 -2.13 -2.94 -0.9997 3032873 ChemDiv3_010496 N=C/1N2N=CSC2=NC(=O)\C1=C\c3coc4ccccc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N03 compound treatment 0.442 0.0105 0.5 0.446 0.0106 0.64 0.805 0.9928 3032874 ChemDiv3_010497 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)NC4CCCCC4)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N04 compound treatment 0.431 -5.0E-4 -0.02 0.431 -0.00441 -0.27 -0.2044 -0.7675 3121398 ChemDiv3_010498 COc1ccc2n(Cc3ccccc3)cc(c(=O)c2c1)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N05 compound treatment 0.499 0.0675 3.22 0.488 0.0526 3.17 4.5144 1.0 3032876 ChemDiv3_010499 Clc1c2CCCc2nc3cc(ccc13)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N06 compound treatment 0.441 0.0095 0.45 0.432 -0.00341 -0.21 0.1752 0.3524 3121399 ChemDiv3_010500 Cc1nc2c3ccccc3n4c(CCCC(=O)O)nnc4n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N07 compound treatment 0.442 0.0105 0.5 0.434 -0.00141 -0.08 0.2941 0.5793 3121400 ChemDiv3_010501 Cc1cccc(CN2CCC(CNC(=O)c3cc4c(=O)[nH]c5ccc(C)cc5c4s3)CC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N08 compound treatment 0.464 0.0325 1.55 0.459 0.0236 1.42 2.1 0.9991 3032878 ChemDiv3_010502 COc1ccccc1NC(=O)c2oc3ccccc3c2NC(=O)Cc4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N09 compound treatment 0.457 0.0255 1.22 0.467 0.0316 1.9 2.2046 0.9766 3121573 ChemDiv3_010503 COc1ccc2[nH]c3c(=O)n(CCC(=O)NCCc4ccc(OC)c(OC)c4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N10 compound treatment 0.437 0.0055 0.26 0.436 5.94E-4 0.04 0.2107 0.7962 3032880 ChemDiv3_010504 COc1ccccc1NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c4sc5ccccc5c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N11 compound treatment 0.448 0.0165 0.79 0.441 0.00559 0.34 0.7943 0.9284 3121574 ChemDiv3_010505 Cn1c(Cn2c(=O)sc3ccccc23)nnc1SCC(=O)NCc4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N12 compound treatment 0.432 5.0E-4 0.02 0.435 -4.06E-4 -0.02 -4.0E-4 -0.0129 3032882 ChemDiv3_010506 Cc1ccccc1NC(=O)c2cnn3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N13 compound treatment 0.452 0.0205 0.98 0.443 0.00759 0.46 1.0143 0.9401 3121575 ChemDiv3_010507 Nc1cc(nn1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N14 compound treatment 0.433 0.0015 0.07 0.443 0.00759 0.46 0.3739 0.8079 3121576 ChemDiv3_010508 CC(C)Cn1c(CN(Cc2ccccc2)Cc3ccccc3)nc4n(C)c(=O)[nH]c(=O)c14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N15 compound treatment 0.451 0.0195 0.93 0.453 0.0176 1.06 1.4063 0.9979 3032884 ChemDiv3_010509 CC1CCCC(NC(=O)c2ccc3c(SCC(=O)O)c4CCCc4nc3c2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N16 compound treatment 0.457 0.0255 1.22 0.459 0.0236 1.42 1.864 0.997 3121577 ChemDiv3_010510 Clc1cccc(Nc2nnc(Cc3cccnc3)c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N17 compound treatment 0.552 0.121 5.74 0.572 0.137 8.22 9.8772 0.9846 3121578 ChemDiv3_010511 COc1ccc2[nH]c3c(=O)n(Cc4ccc(cc4)C(=O)NCCc5ccc(C)cc5)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N18 compound treatment 0.445 0.0135 0.64 0.457 0.0216 1.3 1.3744 0.9474 3032885 ChemDiv3_010512 CC1CN(CCN1c2ccc(C)cc2)C(=O)Cn3nc(Cc4cccnc4)c5ccccc5c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N19 compound treatment 0.43 -0.0015 -0.07 0.435 -4.06E-4 -0.02 -0.0679 -0.8979 3121579 ChemDiv3_010513 Cn1cccc1Cc2nnc(SCC(=O)N3CCc4ccccc34)n2CCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N20 compound treatment 0.435 0.0035 0.17 0.425 -0.0104 -0.63 -0.3251 -0.5013 3032887 ChemDiv3_010514 CCn1c(=O)c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N21 compound treatment 0.435 0.0035 0.17 0.44 0.00459 0.28 0.3136 0.9707 3121580 ChemDiv3_010515 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n2c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N22 compound treatment 0.433 0.0015 0.07 0.438 0.00259 0.16 0.161 0.9373 3121581 ChemDiv3_010516 CCOc1ccc(NC(=O)c2ccc3SCCN(Cc4ccc(C)cc4)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N23 mock treatment 0.43 -0.0015 -0.07 0.428 -0.00741 -0.45 -0.3659 -0.8101 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 N24 mock treatment 0.429 -0.0025 -0.12 0.442 0.00659 0.4 0.1965 0.474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O01 compound treatment 0.437 0.0055 0.26 0.437 0.00159 0.1 0.2532 0.9071 3032891 ChemDiv3_010517 CCOC(=O)c1cn2nc(cc2nc1C3CCN(CC3)C(=O)OC(C)(C)C)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O02 compound treatment 0.401 -0.0305 -1.45 0.402 -0.0334 -2.01 -2.4503 -0.9873 3121582 ChemDiv3_010518 CCc1ccc2[nH]cc(c(=O)c2c1)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O03 compound treatment 0.437 0.0055 0.26 0.443 0.00759 0.46 0.5087 0.9652 3032894 ChemDiv3_010519 CCCn1c(CCC(=O)N2CCc3ccccc23)nc4cccnc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O04 compound treatment 0.444 0.0125 0.6 0.453 0.0176 1.06 1.1704 0.963 3121583 ChemDiv3_010520 CC/N=c/1\sc(cc(=O)n1CC)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O05 compound treatment 0.448 0.0165 0.79 0.447 0.0116 0.7 1.0498 0.9982 3032940 ChemDiv3_010521 COc1cccc(c1)N2CCN(CC2)C(=O)c3cc4c(Cl)nc5ccc(C)cc5c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O06 compound treatment 0.445 0.0135 0.64 0.442 0.00659 0.4 0.7358 0.9731 3032941 ChemDiv3_010522 CCc1ccc(NC(=O)CC2N(C3CC3)C(=O)N(C2=O)c4cccc(C)c4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O07 compound treatment 0.454 0.0225 1.07 0.446 0.0106 0.64 1.2094 0.9692 3032943 ChemDiv3_010523 Clc1ccc2c(SCC(=O)NCCCN3CCCCCC3)c4CCCCc4nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O08 compound treatment 0.446 0.0145 0.69 0.47 0.0346 2.08 1.9616 0.8938 3032944 ChemDiv3_010524 CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4cccnc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O09 compound treatment 0.443 0.0115 0.55 0.438 0.00259 0.16 0.4981 0.8738 3032946 ChemDiv3_010525 CCOC(=O)N1CCC(CC1)NC(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O10 compound treatment 0.444 0.0125 0.6 0.439 0.00359 0.22 0.5743 0.906 3032947 ChemDiv3_010526 COCC(=O)Nc1ccc(cc1)c2cn3cccnc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O11 compound treatment 0.454 0.0225 1.07 0.46 0.0246 1.48 1.8055 0.9875 3121584 ChemDiv3_010527 Brc1cc(N2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O12 compound treatment 0.612 0.18 8.6 0.627 0.192 11.54 14.2413 0.9896 3032949 ChemDiv3_010528 N=C/1N2C=CSC2=NC(=O)\C1=C/c3ccc(SCc4ccccc4)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O13 compound treatment 0.458 0.0265 1.26 0.443 0.00759 0.46 1.2166 0.9055 3121585 ChemDiv3_010529 C/C(=C\C(=N\c1ccc2OCOc2c1)\c3ccccn3)/c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O14 compound treatment 0.445 0.0135 0.64 0.447 0.0116 0.7 0.9487 0.9992 3121586 ChemDiv3_010530 CN1CC(=O)N=C1NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc4n(C)c(=O)oc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O15 compound treatment 0.435 0.0035 0.17 0.44 0.00459 0.28 0.3136 0.9707 3032951 ChemDiv3_010531 Cc1cc(on1)C(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O16 compound treatment 0.453 0.0215 1.02 0.443 0.00759 0.46 1.048 0.9338 3032952 ChemDiv3_010532 COc1ccc(cc1)C2=NOC(C2)C(=O)N(C)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O17 compound treatment 0.434 0.0025 0.12 0.434 -0.00141 -0.08 0.0244 0.1669 3121587 ChemDiv3_010533 CN(C(=O)c1onc(C)c1Cl)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O18 compound treatment 0.464 0.0325 1.55 0.453 0.0176 1.06 1.8445 0.9828 3121588 ChemDiv3_010534 COc1ccccc1C2=NOC(C2)C(=O)Nc3ccccc3C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O19 compound treatment 0.433 0.0015 0.07 0.428 -0.00741 -0.45 -0.2648 -0.5862 3032955 ChemDiv3_010535 CN(C(=O)c1cc2c(C)nc3ccccc3c2o1)c4cc(Cl)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O20 compound treatment 0.442 0.0105 0.5 0.436 5.94E-4 0.04 0.3792 0.7557 3121589 ChemDiv3_010536 CCCNC(=O)C1CC(=NO1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O21 compound treatment 0.425 -0.0065 -0.31 0.435 -4.06E-4 -0.02 -0.2364 -0.7606 3121590 ChemDiv3_010537 CN(CCNC(=O)c1cc2c(C)nc3ccccc3c2o1)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O22 compound treatment 0.446 0.0145 0.69 0.446 0.0106 0.64 0.9398 0.9992 3032958 ChemDiv3_010538 Clc1ccc(cc1)n2nc3oc4ccccc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O23 mock treatment 0.426 -0.0055 -0.26 0.431 -0.00441 -0.27 -0.373 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 O24 mock treatment 0.434 0.0025 0.12 0.451 0.0156 0.94 0.7482 0.7905 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P01 compound treatment 0.496 0.0645 3.07 0.479 0.0436 2.62 4.0301 0.9969 3032960 ChemDiv3_010539 Fc1ccc(Cn2nnc3c(=O)n(Cc4ccc(F)cc4)cnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P02 compound treatment 0.44 0.0085 0.41 0.437 0.00159 0.1 0.3544 0.851 3121591 ChemDiv3_010540 Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P03 compound treatment 0.492 0.0605 2.88 0.488 0.0526 3.17 4.2785 0.9989 3121592 ChemDiv3_010541 Clc1cccc(c1)n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P04 compound treatment 0.522 0.0905 4.31 0.503 0.0676 4.07 5.9283 0.9996 3032964 ChemDiv3_010542 Cc1ccc(cc1)S(=O)(=O)c2cn(Cc3cccc(Cl)c3)c4cc5OCOc5cc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P05 compound treatment 0.454 0.0225 1.07 0.454 0.0186 1.12 1.55 0.9998 3121593 ChemDiv3_010543 CCCC1CCC(CC1)C(=O)n2nc(N)c3cc4ccc(OC)cc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P06 compound treatment 0.442 0.0105 0.5 0.44 0.00459 0.28 0.5495 0.9609 3121594 ChemDiv3_010544 Cc1nc2c3ccccc3n4c(CCCC(=O)NC5CCCCC5)nnc4n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P07 compound treatment 0.446 0.0145 0.69 0.439 0.00359 0.22 0.6418 0.8861 3033016 ChemDiv3_010545 Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCCCN4CCN(CC4)c5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P08 compound treatment 0.45 0.0185 0.88 0.444 0.00859 0.52 0.9895 0.9677 3033019 ChemDiv3_010546 COc1cccc(OCC(=O)Nc2c(oc3ccccc23)C(=O)Nc4ccccc4OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P09 compound treatment 0.469 0.0375 1.79 0.477 0.0416 2.5 3.0349 0.9863 3033021 ChemDiv3_010547 COc1ccc2[nH]c3c(=O)n(CCC(=O)NC4CCCCCC4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P10 compound treatment 0.435 0.0035 0.17 0.432 -0.00341 -0.21 -0.027 -0.1023 3033023 ChemDiv3_010548 Clc1ccc(CNC(=O)c2cnn3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P11 compound treatment 0.443 0.0115 0.55 0.439 0.00359 0.22 0.5406 0.9173 3033025 ChemDiv3_010549 CCCSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P12 compound treatment 0.433 0.0015 0.07 0.433 -0.00241 -0.14 -0.0519 -0.3211 3033026 ChemDiv3_010550 COc1ccc(CCNC(=O)c2cnn3ccccc23)c(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P13 compound treatment 0.444 0.0125 0.6 0.445 0.00959 0.58 0.8298 0.9999 3033028 ChemDiv3_010551 CCS(=O)(=O)n1nc(cc1N)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P14 compound treatment 0.435 0.0035 0.17 0.442 0.00659 0.4 0.3987 0.9258 3121595 ChemDiv3_010552 CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc4ccc(C)cc4)CC(C)O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P15 compound treatment 0.453 0.0215 1.02 0.462 0.0266 1.6 1.8569 0.9768 3121596 ChemDiv3_010553 OC(=O)CSc1c2CCCc2nc3cc(ccc13)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P16 compound treatment 0.444 0.0125 0.6 0.44 0.00459 0.28 0.6169 0.9391 3033031 ChemDiv3_010554 C(c1ccncc1)c2nnc(N3CCC4(CC3)OCCO4)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P17 compound treatment 0.555 0.124 5.89 0.548 0.113 6.78 8.9565 0.9975 3121597 ChemDiv3_010555 COc1ccc2[nH]c3c(=O)n(CCCCC(=O)Nc4ccccc4)c(=S)[nH]c3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P18 compound treatment 0.458 0.0265 1.26 0.454 0.0186 1.12 1.6849 0.9982 3033033 ChemDiv3_010556 Clc1ccc(CCNC(=O)Cn2nc(Cc3cccnc3)c4ccccc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P19 compound treatment 0.442 0.0105 0.5 0.443 0.00759 0.46 0.6772 0.999 3121598 ChemDiv3_010557 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccc4OCCOc4c3)n2CCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P20 compound treatment 0.437 0.0055 0.26 0.434 -0.00141 -0.08 0.1255 0.4556 3033036 ChemDiv3_010558 CCn1c(=O)c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P21 compound treatment 0.447 0.0155 0.74 0.447 0.0116 0.7 1.0161 0.9996 3121599 ChemDiv3_010559 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P22 compound treatment 0.429 -0.0025 -0.12 0.432 -0.00341 -0.21 -0.2293 -0.9666 3121773 ChemDiv3_010560 CCN1CCN(CC1)C(=O)c2ccc3SCCN(Cc4ccc(C)cc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P23 mock treatment 0.434 0.0025 0.12 0.441 0.00559 0.34 0.3224 0.9025 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2030 P24 mock treatment 0.428 -0.0035 -0.17 0.436 5.94E-4 0.04 -0.0927 -0.5433 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A01 compound treatment 0.445 0.00916 0.44 0.428 -0.00419 -0.25 0.1304 0.2586 3033039 ChemDiv3_010561 CCCNC(=O)c1ccc2SCCN(Cc3ccc(F)cc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A02 compound treatment 0.432 -0.00384 -0.18 0.437 0.00481 0.29 0.0753 0.2197 3121774 ChemDiv3_010562 COC(CN(C)C(=O)c1cc2COc3ccccc3-c2s1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A03 compound treatment 0.434 -0.00184 -0.09 0.423 -0.00919 -0.55 -0.4533 -0.8093 3033041 ChemDiv3_010563 CC1CC(C)CN(C1)C(=O)CC2Oc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A04 compound treatment 0.426 -0.00984 -0.47 0.432 -1.88E-4 -0.01 -0.3398 -0.7239 3121775 ChemDiv3_010564 CC1CCCCN1CCNc2ccc3nnc(c4ccc(F)cc4)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A05 compound treatment 0.433 -0.00284 -0.14 0.435 0.00281 0.17 0.0239 0.1101 3121776 ChemDiv3_010565 CC(NC(=O)Cn1ncc2ccsc2c1=O)C3(C[C@H]4C[C@@H]5C[C@H](C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A06 compound treatment 0.476 0.0402 1.91 0.484 0.0518 3.12 3.5595 0.9725 3033043 ChemDiv3_010566 O=C1CC(Sc2ccccc2N1Cc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A07 compound treatment 0.446 0.0102 0.48 0.435 0.00281 0.17 0.4621 0.9009 3121777 ChemDiv3_010567 CCc1ccccc1NC(=O)CSc2nc3CCCc3c(=O)[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A08 compound treatment 0.44 0.00416 0.2 0.433 8.12E-4 0.05 0.1747 0.856 3033045 ChemDiv3_010568 OC(=O)C1CC(=NO1)c2ccccc2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A09 compound treatment 0.506 0.0702 3.34 0.513 0.0808 4.87 5.8054 0.9833 3121778 ChemDiv3_010569 CCOc1ccc(NC(=O)c2cc3sccc3n2Cc4ccc(C)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A10 compound treatment 0.504 0.0682 3.25 0.489 0.0568 3.42 4.7162 0.9997 3033100 ChemDiv3_010570 CCC(Sc1ncc(c(=O)[nH]1)S(=O)(=O)c2ccc(C)c(C)c2)C(=O)Nc3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A11 compound treatment 0.425 -0.0108 -0.52 0.421 -0.0112 -0.67 -0.8418 -0.9915 3033101 ChemDiv3_010571 Cn1c(cc2sccc12)C(=O)NCCN3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A12 compound treatment 0.441 0.00516 0.25 0.447 0.0148 0.89 0.8044 0.8696 3033102 ChemDiv3_010572 COc1ccccc1Nc2nc3c(nnn3c4ccccc24)S(=O)(=O)c5c(C)cc(C)cc5C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A13 compound treatment 0.444 0.00816 0.39 0.423 -0.00919 -0.55 -0.1162 -0.1719 3033104 ChemDiv3_010573 CCn1c(cc2sc(Cl)cc12)C(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A14 compound treatment 0.433 -0.00284 -0.14 0.439 0.00681 0.41 0.1942 0.4495 3033105 ChemDiv3_010574 Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A15 compound treatment 0.433 -0.00284 -0.14 0.434 0.00181 0.11 -0.0187 -0.1074 3033107 ChemDiv3_010575 ON1N(C(=O)Nc2ccccc12)c3nccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A16 compound treatment 0.482 0.0462 2.2 0.472 0.0398 2.4 3.2508 0.9991 3033108 ChemDiv3_010576 CCOC(=O)c1cc(c2ccc(C)cc2)n(CCC(=O)NC3CCCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A17 compound treatment 0.432 -0.00384 -0.18 0.43 -0.00219 -0.13 -0.2227 -0.9869 3121779 ChemDiv3_010577 COC(=O)c1ccc2O/C(=C\c3cn(nc3c4ccccc4)c5ccccc5)/C(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A18 compound treatment 0.452 0.0162 0.77 0.444 0.0118 0.71 1.0475 0.9992 3033110 ChemDiv3_010578 Cc1cccc(COn2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A19 compound treatment 0.431 -0.00484 -0.23 0.434 0.00181 0.11 -0.0861 -0.3371 3121780 ChemDiv3_010579 Cc1cc2ccccc2n1C(=O)c3cc4COc5cccc(C)c5-c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A20 compound treatment 0.468 0.0322 1.53 0.465 0.0328 1.98 2.4809 0.9921 3121781 ChemDiv3_010580 COc1ccc(Cn2c(SCc3cccc(c3)C(F)(F)F)nc4ncccc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A21 compound treatment 0.418 -0.0178 -0.85 0.422 -0.0102 -0.61 -1.0352 -0.9871 3033113 ChemDiv3_010581 O=C(NCC1CCCO1)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A22 compound treatment 0.564 0.128 6.11 0.554 0.122 7.33 9.506 0.9959 3121782 ChemDiv3_010582 Cc1ccc(cc1)C2CC(=NN2C(=O)CSc3ncnc4ccccc34)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A23 mock treatment 0.424 -0.0118 -0.56 0.425 -0.00719 -0.43 -0.7052 -0.9914 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 A24 mock treatment 0.42 -0.0158 -0.76 0.421 -0.0112 -0.67 -1.0104 -0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B01 compound treatment 0.406 -0.0298 -1.42 0.407 -0.0252 -1.52 -2.0783 -0.9995 3033116 ChemDiv3_010583 Fc1ccc(NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)NCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B02 compound treatment 0.447 0.0112 0.53 0.439 0.00681 0.41 0.6661 0.9918 3121783 ChemDiv3_010584 CC(CNC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c4ccccc4n12)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B03 compound treatment 0.538 0.102 4.87 0.529 0.0968 5.83 7.5652 0.996 3121784 ChemDiv3_010585 Cc1ccc(Cl)cc1NC(=O)Cn2c(=O)n(CCc3c[nH]c4ccccc34)c(=O)c5cccnc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B04 compound treatment 0.474 0.0382 1.82 0.465 0.0328 1.98 2.6831 0.9991 3033119 ChemDiv3_010586 Fc1cccc(c1)c2nnc3ccc(SCC(=O)NCc4ccccc4)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B05 compound treatment 0.454 0.0182 0.87 0.443 0.0108 0.65 1.0723 0.9901 3121785 ChemDiv3_010587 Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B06 compound treatment 0.462 0.0262 1.25 0.448 0.0158 0.95 1.5549 0.9911 3033121 ChemDiv3_010588 CCCCC(Sc1ccc2nnc(c3ccc(OC)c(OC)c3)n2n1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B07 compound treatment 0.444 0.00816 0.39 0.439 0.00681 0.41 0.565 0.9996 3121786 ChemDiv3_010589 CCCN(C(=O)Cn1ncc2COc3ccccc3-c21)c4ccc(Cl)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B08 compound treatment 0.45 0.0142 0.67 0.449 0.0168 1.01 1.193 0.9806 3121787 ChemDiv3_010590 Cc1ccc(NC(=O)CCc2nnc3ccc(NC4CCCC4)nn23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B09 compound treatment 0.449 0.0132 0.63 0.441 0.00881 0.53 0.8187 0.9965 3033124 ChemDiv3_010591 CC(C)CCNc1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B10 compound treatment 0.449 0.0132 0.63 0.448 0.0158 0.95 1.1167 0.9795 3121788 ChemDiv3_010592 OC(=O)c1c(CNC2CCCC2)c3ccccc3n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B11 compound treatment 0.47 0.0342 1.63 0.47 0.0378 2.28 2.7612 0.9865 3033125 ChemDiv3_010593 Cc1n[nH]c(C)c1CCc2nc3c4ccccc4nc(NCc5ccccc5)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B12 compound treatment 0.504 0.0682 3.25 0.488 0.0558 3.36 4.6736 0.9999 3121789 ChemDiv3_010594 OC(=O)c1c(CNC2CCCc3ccccc23)c4ccccc4n1Cc5ccc(F)cc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B13 compound treatment 0.445 0.00916 0.44 0.438 0.00581 0.35 0.5561 0.994 3031992 ChemDiv3_010595 Fc1cccc(NC(=O)C(Cc2ccccc2)n3cccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B14 compound treatment 0.444 0.00816 0.39 0.436 0.00381 0.23 0.4372 0.9684 3031994 ChemDiv3_010596 CCCNC(=O)CC1Oc2ccccc2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B15 compound treatment 0.47 0.0342 1.63 0.46 0.0278 1.67 2.3354 0.9999 3031996 ChemDiv3_010597 CN(C)c1ccc(CNC(=O)C(Cc2ccccc2)n3cccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B16 compound treatment 0.449 0.0132 0.63 0.443 0.0108 0.65 0.9038 0.9998 3031997 ChemDiv3_010598 O=C(NCC1CCCO1)c2csc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B17 compound treatment 0.458 0.0222 1.06 0.443 0.0108 0.65 1.2072 0.973 3031999 ChemDiv3_010599 Cc1ccc(NC(=O)Cn2cccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B18 compound treatment 0.447 0.0112 0.53 0.439 0.00681 0.41 0.6661 0.9918 3032001 ChemDiv3_010600 O=C(NCCCN1CCCC1)c2csc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B19 compound treatment 0.437 0.00116 0.06 0.435 0.00281 0.17 0.1587 0.8912 3032002 ChemDiv3_010601 Clc1ccc(CNC(=O)C2(CCCCC2)NS(=O)(=O)c3cccc4cccnc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B20 compound treatment 0.44 0.00416 0.2 0.436 0.00381 0.23 0.3024 0.9973 3121790 ChemDiv3_010602 CCOc1ccccc1C(=O)N(C2CS(=O)(=O)C=C2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B21 compound treatment 0.447 0.0112 0.53 0.449 0.0168 1.01 1.0918 0.9548 3121791 ChemDiv3_010603 CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B22 compound treatment 0.438 0.00216 0.1 0.435 0.00281 0.17 0.1924 0.9714 3032006 ChemDiv3_010604 CC(C)c1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B23 mock treatment 0.446 0.0102 0.48 0.441 0.00881 0.53 0.7175 0.999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 B24 mock treatment 0.44 0.00416 0.2 0.435 0.00281 0.17 0.2598 0.9969 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C01 compound treatment 0.413 -0.0228 -1.09 0.418 -0.0142 -0.85 -1.374 -0.9928 3032007 ChemDiv3_010605 OC(=O)CC1Oc2ccccc2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C02 compound treatment 0.426 -0.00984 -0.47 0.416 -0.0162 -0.97 -1.021 -0.9439 3121792 ChemDiv3_010606 COC(CNC(=O)c1cc2COc3ccccc3-c2s1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C03 compound treatment 0.419 -0.0168 -0.8 0.416 -0.0162 -0.97 -1.2569 -0.9954 3121793 ChemDiv3_010607 CC(C)NC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C04 compound treatment 0.425 -0.0108 -0.52 0.419 -0.0132 -0.79 -0.927 -0.9784 3032012 ChemDiv3_010608 CC(C)NC(=S)N1CCN(CC1)c2ccc3nnc(c4ccc(F)cc4)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C05 compound treatment 0.424 -0.0118 -0.56 0.422 -0.0102 -0.61 -0.833 -0.9991 3121794 ChemDiv3_010609 Cc1oc(nc1CSc2nc3CCCCc3c(=O)[nH]2)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C06 compound treatment 0.51 0.0742 3.54 0.511 0.0788 4.75 5.8551 0.9895 3032014 ChemDiv3_010610 O=C(CN1C(=O)CC(Sc2ccccc12)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C07 compound treatment 0.43 -0.00584 -0.28 0.426 -0.00619 -0.37 -0.4604 -0.9897 3121795 ChemDiv3_010611 CC(CCc1ccccc1)NC(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C08 compound treatment 0.434 -0.00184 -0.09 0.429 -0.00319 -0.19 -0.1979 -0.9373 3121796 ChemDiv3_010612 CCn1ncc(C2=NOC(C2)C(=O)O)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C09 compound treatment 0.5 0.0642 3.06 0.491 0.0588 3.54 4.6665 0.9973 3032018 ChemDiv3_010613 Clc1ccc(Cn2c(cc3sccc23)C(=O)NCCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C10 compound treatment 0.474 0.0382 1.82 0.475 0.0428 2.58 3.1089 0.9854 3121797 ChemDiv3_010614 CC(C)c1ccc(cc1)S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C11 compound treatment 0.428 -0.00784 -0.37 0.42 -0.0122 -0.73 -0.7833 -0.9511 3032076 ChemDiv3_010615 CCn1c(cc2sccc12)C(=O)N3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C12 compound treatment 0.482 0.0462 2.2 0.451 0.0188 1.13 2.3568 0.9523 3032078 ChemDiv3_010616 CC(=O)Nc1ccc(Nc2nc3c(nnn3c4ccccc24)S(=O)(=O)c5ccc(C)c(C)c5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C13 compound treatment 0.448 0.0122 0.58 0.442 0.00981 0.59 0.8275 1.0 3032080 ChemDiv3_010617 CCCNC(=O)c1cc2sc(Cl)cc2n1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C14 compound treatment 0.431 -0.00484 -0.23 0.423 -0.00919 -0.55 -0.5544 -0.9249 3032082 ChemDiv3_010618 CCc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C15 compound treatment 0.413 -0.0228 -1.09 0.415 -0.0172 -1.03 -1.5018 -0.9997 3032083 ChemDiv3_010619 Cc1cc(no1)N2N(O)c3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C16 compound treatment 0.426 -0.00984 -0.47 0.428 -0.00419 -0.25 -0.5101 -0.9576 3032085 ChemDiv3_010620 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCC2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C17 compound treatment 0.556 0.12 5.73 0.55 0.118 7.09 9.066 0.9944 3032087 ChemDiv3_010621 COc1cccc(NC(=O)c2cc3COc4cccc(C)c4-c3s2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C18 compound treatment 0.487 0.0512 2.44 0.481 0.0488 2.94 3.8025 0.9957 3121798 ChemDiv3_010622 CCOc1ccc2nc(NC(=O)c3cccn(OCc4ccccc4)c3=O)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C19 compound treatment 0.513 0.0772 3.68 0.488 0.0558 3.36 4.977 0.999 3032090 ChemDiv3_010623 Cc1cccc2OCc3cc(sc3-c12)C(=O)Nc4ccc(cc4)S(=O)(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C20 compound treatment 0.491 0.0552 2.63 0.481 0.0488 2.94 3.9374 0.9985 3121799 ChemDiv3_010624 CCC(Sc1nc2ncccc2c(=O)n1c3ccccc3)C(=O)Nc4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C21 compound treatment 0.536 0.1 4.77 0.536 0.104 6.25 7.7958 0.9912 3032091 ChemDiv3_010625 O=C(NCC1COc2ccccc2O1)c3cc4COc5ccccc5-c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C22 compound treatment 0.433 -0.00284 -0.14 0.425 -0.00719 -0.43 -0.4019 -0.8861 3121983 ChemDiv3_010626 CCc1ccc(/C=C/2\C(=N)N3N=C(SC3=NC2=O)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C23 mock treatment 0.412 -0.0238 -1.14 0.412 -0.0202 -1.22 -1.6632 -0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 C24 mock treatment 0.424 -0.0118 -0.56 0.425 -0.00719 -0.43 -0.7052 -0.9914 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D01 compound treatment 0.457 0.0212 1.01 0.463 0.0308 1.86 2.025 0.959 3121984 ChemDiv3_010627 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3ccccc3)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D02 compound treatment 0.432 -0.00384 -0.18 0.436 0.00381 0.23 0.0328 0.1115 3032094 ChemDiv3_010628 Fc1ccc(Cn2c(=O)c3ccccc3n4c(CCC(=O)NC5CCCCCC5)nnc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D03 compound treatment 0.442 0.00616 0.29 0.436 0.00381 0.23 0.3698 0.9926 3121985 ChemDiv3_010629 O=c1n(CC#N)c2ncccc2c(=O)n1C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D04 compound treatment 0.432 -0.00384 -0.18 0.448 0.0158 0.95 0.5436 0.5607 3032096 ChemDiv3_010630 CCSc1ccc2nnc(c3ccc(C)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D05 compound treatment 0.459 0.0232 1.1 0.471 0.0388 2.34 2.433 0.9414 3121986 ChemDiv3_010631 COC(CNC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D06 compound treatment 0.445 0.00916 0.44 0.446 0.0138 0.83 0.8967 0.9547 3032097 ChemDiv3_010632 Cc1ccccc1CSCc2ccc(o2)C(=O)N3CCNc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D07 compound treatment 0.445 0.00916 0.44 0.437 0.00481 0.29 0.5135 0.9802 3121987 ChemDiv3_010633 CCN(CCN(C)C)C(=O)Cn1ncc2COc3ccccc3-c21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D08 compound treatment 0.436 1.56E-4 0.01 0.44 0.00781 0.47 0.3379 0.7182 3121988 ChemDiv3_010634 Cn1c(C(=O)O)c(CNCc2cccnc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D09 compound treatment 0.436 1.56E-4 0.01 0.431 -0.00119 -0.07 -0.0453 -0.63 3032099 ChemDiv3_010635 C1CCC(C1)Nc2nc3ccccc3n4cnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D10 compound treatment 0.431 -0.00484 -0.23 0.431 -0.00119 -0.07 -0.2138 -0.8846 3121989 ChemDiv3_010636 Cc1ccc(Cn2c(C(=O)O)c(CNC3CC3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D11 compound treatment 0.433 -0.00284 -0.14 0.432 -1.88E-4 -0.01 -0.1038 -0.7634 3121990 ChemDiv3_010637 CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c3nc(nn13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D12 compound treatment 0.488 0.0522 2.49 0.489 0.0568 3.42 4.1768 0.9877 3032102 ChemDiv3_010638 CC(CCc1ccccc1)NCc2c(C(=O)O)n(Cc3ccc(F)cc3Cl)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D13 compound treatment 0.451 0.0152 0.72 0.432 -1.88E-4 -0.01 0.5029 0.696 3121991 ChemDiv3_010639 O=C(C(Cc1ccccc1)n2cccc2)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D14 compound treatment 0.478 0.0422 2.01 0.477 0.0448 2.7 3.3289 0.9895 3121992 ChemDiv3_010640 Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D15 compound treatment 0.433 -0.00284 -0.14 0.431 -0.00119 -0.07 -0.1464 -0.9553 3032104 ChemDiv3_010641 Fc1cccc(NC(=O)Cn2cccc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D16 compound treatment 0.53 0.0942 4.49 0.521 0.0888 5.35 6.955 0.9962 3032105 ChemDiv3_010642 CCc1cccc(NC(=O)c2csc3CCCCc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D17 compound treatment 0.452 0.0162 0.77 0.448 0.0158 0.95 1.2178 0.9945 3121993 ChemDiv3_010643 Clc1ccccc1NC(=O)Cn2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D18 compound treatment 0.446 0.0102 0.48 0.443 0.0108 0.65 0.8027 0.9894 3121994 ChemDiv3_010644 O=C(N1CCN(CC1)c2ccccc2)c3csc4CCCCCc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D19 compound treatment 0.438 0.00216 0.1 0.439 0.00681 0.41 0.3627 0.8578 3032158 ChemDiv3_010645 COc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c3cccc4cccnc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D20 compound treatment 0.429 -0.00684 -0.33 0.425 -0.00719 -0.43 -0.5367 -0.9903 3032160 ChemDiv3_010646 CC(C)C(=O)N(C1CS(=O)(=O)C=C1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D21 compound treatment 0.427 -0.00884 -0.42 0.436 0.00381 0.23 -0.1358 -0.2829 3032161 ChemDiv3_010647 CN(CC(=O)NCc1cccs1)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D22 compound treatment 0.433 -0.00284 -0.14 0.426 -0.00619 -0.37 -0.3593 -0.9063 3032162 ChemDiv3_010648 CC(C)c1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D23 mock treatment 0.432 -0.00384 -0.18 0.436 0.00381 0.23 0.0328 0.1115 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 D24 mock treatment 0.429 -0.00684 -0.33 0.435 0.00281 0.17 -0.1109 -0.3018 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E01 compound treatment 0.466 0.0302 1.44 0.462 0.0298 1.8 2.2858 0.9939 3032164 ChemDiv3_010649 Cc1cccc(CN2C(=O)/C(=C\c3ccc(cc3)C(=O)N4CCCC4)/Oc5ccccc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E02 compound treatment 0.517 0.0812 3.87 0.56 0.128 7.7 8.1772 0.9494 3032165 ChemDiv3_010650 NS(=O)(=O)c1ccc(CCNC(=O)c2cc3COc4ccccc4-c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E03 compound treatment 0.445 0.00916 0.44 0.435 0.00281 0.17 0.4284 0.915 3121995 ChemDiv3_010651 CC1N(Cc2ccccc2)C(=O)C(CC(=O)NCc3ccc(Cl)cc3)n4c1nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E04 compound treatment 0.521 0.0852 4.06 0.524 0.0918 5.53 6.7793 0.9885 3121996 ChemDiv3_010652 Fc1ccc(cc1)c2nnc3ccc(nn23)N4CCN(CC4)C(=S)NCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E05 compound treatment 0.461 0.0252 1.2 0.465 0.0328 1.98 2.2449 0.9714 3032167 ChemDiv3_010653 Cc1oc(nc1CS(=O)(=O)CC(=O)NCc2ccccc2)c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E06 compound treatment 0.442 0.00616 0.29 0.443 0.0108 0.65 0.6679 0.9352 3121997 ChemDiv3_010654 COc1ccc(cc1)C2CC(=O)N(C)c3ccccc3S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E07 compound treatment 0.465 0.0292 1.39 0.452 0.0198 1.19 1.8263 0.9971 3032169 ChemDiv3_010655 O=C(NCCc1ccccc1)C2=CCN(CC2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E08 compound treatment 0.45 0.0142 0.67 0.444 0.0118 0.71 0.9801 0.9997 3121998 ChemDiv3_010656 CCn1ncc(C2=NOC(C2)C(=O)NC3CCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E09 compound treatment 0.536 0.1 4.77 0.526 0.0938 5.65 7.3701 0.9965 3121999 ChemDiv3_010657 Cc1cc(F)ccc1NC(=O)c2cc3sccc3n2Cc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E10 compound treatment 0.543 0.107 5.11 0.526 0.0938 5.65 7.606 0.9987 3032171 ChemDiv3_010658 Nc1[nH]c(=S)ncc1S(=O)(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E11 compound treatment 0.434 -0.00184 -0.09 0.436 0.00381 0.23 0.1002 0.4075 3122000 ChemDiv3_010659 CCn1c(cc2sccc12)C(=O)NCc3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E12 compound treatment 0.442 0.00616 0.29 0.438 0.00581 0.35 0.455 0.9962 3032174 ChemDiv3_010660 Cc1n[nH]c(C)c1Nc2cnn(c(=O)c2Cl)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E13 compound treatment 0.441 0.00516 0.25 0.434 0.00181 0.11 0.251 0.9332 3122001 ChemDiv3_010661 CCn1c(cc2sc(Cl)cc12)C(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E14 compound treatment 0.488 0.0522 2.49 0.486 0.0538 3.24 4.0491 0.9914 3122002 ChemDiv3_010662 FC(F)(F)c1ccccc1NC(=O)c2cnc3ccccn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E15 compound treatment 0.444 0.00816 0.39 0.433 8.12E-4 0.05 0.3095 0.7898 3032177 ChemDiv3_010663 COC(=O)c1sccc1N2N(O)c3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E16 compound treatment 0.436 1.56E-4 0.01 0.442 0.00981 0.59 0.423 0.716 3122003 ChemDiv3_010664 CCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E17 compound treatment 0.555 0.119 5.68 0.55 0.118 7.09 9.0323 0.9939 3122004 ChemDiv3_010665 CC1CCCC(NC(=O)c2cc3COc4cccc(C)c4-c3s2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E18 compound treatment 0.458 0.0222 1.06 0.456 0.0238 1.43 1.7606 0.9887 3032179 ChemDiv3_010666 CCSc1nnc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E19 compound treatment 0.55 0.114 5.44 0.552 0.12 7.21 8.9489 0.9903 3122005 ChemDiv3_010667 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3cc4COc5cccc(C)c5-c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E20 compound treatment 0.433 -0.00284 -0.14 0.437 0.00481 0.29 0.109 0.3408 3032181 ChemDiv3_010668 CCC(Sc1nc2ncccc2c(=O)n1CC3CCCO3)C(=O)Nc4cccc(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E21 compound treatment 0.429 -0.00684 -0.33 0.44 0.00781 0.47 0.1019 0.1781 3122006 ChemDiv3_010669 O=C(NCCCN1CCCC1)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E22 compound treatment 0.663 0.227 10.83 0.645 0.213 12.81 16.7173 0.9965 3122007 ChemDiv3_010670 CC1CCN(CC1)C2=NN3C(=NC(=O)/C(=C/c4c[nH]c5ccccc45)/C3=N)S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E23 mock treatment 0.43 -0.00584 -0.28 0.427 -0.00519 -0.31 -0.4178 -0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 E24 mock treatment 0.438 0.00216 0.1 0.441 0.00881 0.53 0.4479 0.8287 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F01 compound treatment 0.45 0.0142 0.67 0.447 0.0148 0.89 1.1078 0.9905 3032182 ChemDiv3_010671 CCCN(CCC)C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F02 compound treatment 0.44 0.00416 0.2 0.439 0.00681 0.41 0.4301 0.9443 3122008 ChemDiv3_010672 CC1CCCCN1CCNC(=O)CCc2nnc3n(Cc4ccc(F)cc4)c(=O)c5ccccc5n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F03 compound treatment 0.453 0.0172 0.82 0.454 0.0218 1.31 1.507 0.974 3032184 ChemDiv3_010673 CN(C1CCCCC1)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F04 compound treatment 0.442 0.00616 0.29 0.452 0.0198 1.19 1.051 0.8556 3032240 ChemDiv3_010674 CCC(Sc1ccc2nnc(c3ccc(C)cc3)n2n1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F05 compound treatment 0.511 0.0752 3.58 0.502 0.0698 4.2 5.5056 0.9968 3032242 ChemDiv3_010675 Cc1ccc(CCNC(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F06 compound treatment 0.452 0.0162 0.77 0.452 0.0198 1.19 1.3881 0.9776 3032243 ChemDiv3_010676 CCCCn1c(=O)c2ccccc2n3c(=S)sc(c4ccccc4)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F07 compound treatment 0.456 0.0202 0.96 0.45 0.0178 1.07 1.4378 0.9985 3032245 ChemDiv3_010677 CCN(C(=O)Cn1ncc2COc3ccccc3-c21)c4ccccc4CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F08 compound treatment 0.451 0.0152 0.72 0.447 0.0148 0.89 1.1415 0.9945 3032247 ChemDiv3_010678 OC(=O)c1c(CNCc2cccnc2)c3ccccc3n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F09 compound treatment 0.439 0.00316 0.15 0.452 0.0198 1.19 0.9499 0.79 1511846 ChemDiv3_010679 CCN(CC)c1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F10 compound treatment 0.447 0.0112 0.53 0.439 0.00681 0.41 0.6661 0.9918 3122009 ChemDiv3_010680 CCn1c(C(=O)O)c(CNC2CCC(C)CC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F11 compound treatment 0.437 0.00116 0.06 0.442 0.00981 0.59 0.4567 0.7697 3032249 ChemDiv3_010681 COc1cc2nc(NCCCN(C)Cc3ccccc3)n4nc(nc4c2cc1OC)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F12 compound treatment 0.461 0.0252 1.2 0.459 0.0268 1.61 1.9895 0.9893 3122010 ChemDiv3_010682 CCC(Cc1ccccc1)NC(=O)c2ccc3nc(c4ccccc4NC(=O)C)c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F13 compound treatment 0.455 0.0192 0.91 0.447 0.0148 0.89 1.2764 0.9999 3122189 ChemDiv3_010683 CN(C1CCCCC1)C(=O)C(Cc2ccccc2)n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F14 compound treatment 0.447 0.0112 0.53 0.445 0.0128 0.77 0.9215 0.9835 3032252 ChemDiv3_010684 Cc1ccc2OC(CC(=O)NCCCN3CCN(CC3)c4cc(Cl)ccc4C)C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F15 compound treatment 0.451 0.0152 0.72 0.463 0.0308 1.86 1.8227 0.9155 3122190 ChemDiv3_010685 O=C(Cn1cccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F16 compound treatment 0.448 0.0122 0.58 0.453 0.0208 1.25 1.2958 0.9386 3122191 ChemDiv3_010686 CC(CNC(=O)c1csc2CCCCc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F17 compound treatment 0.453 0.0172 0.82 0.456 0.0238 1.43 1.5921 0.9646 3032254 ChemDiv3_010687 COc1ccccc1NC(=O)Cn2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F18 compound treatment 0.442 0.00616 0.29 0.456 0.0238 1.43 1.2213 0.8345 3122192 ChemDiv3_010688 CCN1CCN(CC1)C(=O)c2csc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F19 compound treatment 0.469 0.0332 1.58 0.468 0.0358 2.16 2.6423 0.9883 3122193 ChemDiv3_010689 Cc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c3cccc4cccnc34)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F20 compound treatment 0.441 0.00516 0.25 0.44 0.00781 0.47 0.5064 0.9542 3032257 ChemDiv3_010690 O=C(N(C1CS(=O)(=O)C=C1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F21 compound treatment 0.448 0.0122 0.58 0.44 0.00781 0.47 0.7424 0.9946 1387209 ChemDiv3_010691 C1CN(CCO1)c2ccc3nncn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F22 compound treatment 0.439 0.00316 0.15 0.442 0.00981 0.59 0.5242 0.8597 3122194 ChemDiv3_010692 CC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(Br)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F23 mock treatment 0.446 0.0102 0.48 0.434 0.00181 0.11 0.4195 0.8453 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 F24 mock treatment 0.437 0.00116 0.06 0.443 0.0108 0.65 0.4993 0.7642 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G01 compound treatment 0.481 0.0452 2.15 0.46 0.0278 1.67 2.7062 0.9923 3122195 ChemDiv3_010693 CNC(=O)c1ccc(/C=C\2/Oc3ccccc3N(Cc4cccc(C)c4)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G02 compound treatment 0.519 0.0832 3.96 0.527 0.0948 5.71 6.8396 0.9841 3032260 ChemDiv3_010694 CCCCN(Cc1ccco1)C(=O)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G03 compound treatment 0.423 -0.0128 -0.61 0.427 -0.00519 -0.31 -0.6538 -0.9512 3122196 ChemDiv3_010695 CC1=Nc2cc(ccc2Sc3c(C)ccc(C)c13)C(=O)NCCCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G04 compound treatment 0.487 0.0512 2.44 0.497 0.0648 3.9 4.4837 0.9744 3032262 ChemDiv3_010696 S=C(Nc1ccccc1)N2CCN(CC2)c3ccc4nnc(c5ccccc5)n4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G05 compound treatment 0.474 0.0382 1.82 0.489 0.0568 3.42 3.7049 0.9563 3122197 ChemDiv3_010697 Cc1oc(nc1CSc2nc3CCCc3c(=O)[nH]2)c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G06 compound treatment 0.438 0.00216 0.1 0.445 0.0128 0.77 0.6182 0.7943 3032265 ChemDiv3_010698 CCN1C(=O)CC(Sc2ccccc12)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G07 compound treatment 0.444 0.00816 0.39 0.44 0.00781 0.47 0.6075 0.9955 3122198 ChemDiv3_010699 O=C(N1CCCCC1)C2=CCN(CC2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G08 compound treatment 0.45 0.0142 0.67 0.44 0.00781 0.47 0.8098 0.9844 3122199 ChemDiv3_010700 CCn1ncc(C2=NOC(C2)C(=O)N3CCN(CC3)c4ccccc4)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G09 compound treatment 0.52 0.0842 4.01 0.514 0.0818 4.93 6.3199 0.9948 3031955 ChemDiv3_010701 Fc1ccc(Cn2c(cc3sccc23)C(=O)NCc4ccc(Cl)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G10 compound treatment 0.443 0.00716 0.34 0.442 0.00981 0.59 0.659 0.9659 3122200 ChemDiv3_010702 CCN(CC)c1nc2c(nnn2c3ccccc13)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G11 compound treatment 0.467 0.0312 1.49 0.465 0.0328 1.98 2.4472 0.9901 3031960 ChemDiv3_010703 CCn1c(cc2sccc12)C(=O)NC3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G12 compound treatment 0.446 0.0102 0.48 0.442 0.00981 0.59 0.7601 0.9951 3122201 ChemDiv3_010704 CC(C)Nc1cnn(c(=O)c1Cl)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G13 compound treatment 0.508 0.0722 3.44 0.506 0.0738 4.44 5.5748 0.992 3031965 ChemDiv3_010705 CCn1c(cc2sc(Cl)cc12)C(=O)Nc3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G14 compound treatment 0.425 -0.0108 -0.52 0.426 -0.00619 -0.37 -0.6289 -0.9871 3122202 ChemDiv3_010706 Clc1cccc(CNC(=O)c2cnc3ccccn3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G15 compound treatment 0.435 -8.44E-4 -0.04 0.439 0.00681 0.41 0.2616 0.6347 3122203 ChemDiv3_010707 CCN(CC)C(=O)c1sc(N2N(O)c3ccccc3NC2=O)c(C(=O)OC)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G16 compound treatment 0.469 0.0332 1.58 0.467 0.0348 2.1 2.5998 0.9903 3031970 ChemDiv3_010708 CCOC(=O)c1c(C)c(C(=O)NCc2ccc(OC)cc2)c(C)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G17 compound treatment 0.448 0.0122 0.58 0.444 0.0118 0.71 0.9127 0.9948 3032037 ChemDiv3_010709 CCN(CC)C(=O)c1cc2COc3cccc(C)c3-c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G18 compound treatment 0.522 0.0862 4.11 0.514 0.0818 4.93 6.3873 0.9959 3122204 ChemDiv3_010710 Clc1ccc(CSc2nc3ncccc3c(=O)n2Cc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G19 compound treatment 0.427 -0.00884 -0.42 0.424 -0.00819 -0.49 -0.6467 -0.997 3032040 ChemDiv3_010711 CC1CCCCN1CCNC(=O)c2cc3COc4cccc(C)c4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G20 compound treatment 0.489 0.0532 2.53 0.504 0.0718 4.32 4.8492 0.9676 3122205 ChemDiv3_010712 C(Sc1ncnc2ccccc12)/C=C/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G21 compound treatment 0.52 0.0842 4.01 0.518 0.0858 5.17 6.4902 0.9922 3122206 ChemDiv3_010713 O=C(NCc1cccs1)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G22 compound treatment 0.44 0.00416 0.2 0.435 0.00281 0.17 0.2598 0.9969 3032044 ChemDiv3_010714 CN(Cc1ccccc1)C(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G23 mock treatment 0.427 -0.00884 -0.42 0.434 0.00181 0.11 -0.2209 -0.5073 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 G24 mock treatment 0.427 -0.00884 -0.42 0.429 -0.00319 -0.19 -0.4338 -0.9365 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H01 compound treatment 0.437 0.00116 0.06 0.434 0.00181 0.11 0.1161 0.95 3122207 ChemDiv3_010715 CC(NC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CC(C)CC(C)C3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H02 compound treatment 0.43 -0.00584 -0.28 0.437 0.00481 0.29 0.0079 0.0197 3032048 ChemDiv3_010716 OC(=O)CCc1nnc2n(CCc3ccccc3)c(=O)c4ccccc4n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H03 compound treatment 0.49 0.0542 2.58 0.487 0.0548 3.3 4.1591 0.9926 3122208 ChemDiv3_010717 Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCC4COc5ccccc5O4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H04 compound treatment 0.429 -0.00684 -0.33 0.439 0.00681 0.41 0.0594 0.1132 3032050 ChemDiv3_010718 CCSc1ccc2nnc(c3ccc(OC)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H05 compound treatment 0.437 0.00116 0.06 0.439 0.00681 0.41 0.329 0.795 3122209 ChemDiv3_010719 CC(C)CN(CC(C)C)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H06 compound treatment 0.448 0.0122 0.58 0.458 0.0258 1.55 1.5087 0.9096 3032054 ChemDiv3_010720 Cn1c(=O)c2ccccc2n3c(=S)sc(c4ccccc4)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H07 compound treatment 0.443 0.00716 0.34 0.447 0.0148 0.89 0.8719 0.9131 3122210 ChemDiv3_010721 CN(C)c1nc2ccccc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H08 compound treatment 0.436 1.56E-4 0.01 0.432 -1.88E-4 -0.01 -0.0027 -0.2008 3122211 ChemDiv3_010722 OC(=O)c1[nH]c2ccccc2c1CNCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H09 compound treatment 0.437 0.00116 0.06 0.432 -1.88E-4 -0.01 0.031 0.5508 3122212 ChemDiv3_010723 Cc1ccc2nc(NCCN3CCOCC3)c4nncn4c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H10 compound treatment 0.43 -0.00584 -0.28 0.44 0.00781 0.47 0.1356 0.2481 3032125 ChemDiv3_010724 CC(CCc1ccccc1)NCc2c([nH]c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H11 compound treatment 0.454 0.0182 0.87 0.454 0.0218 1.31 1.5407 0.9795 3122213 ChemDiv3_010725 FC(F)(F)c1cccc(OCCNc2nc3ccccc3c4nc(nn24)c5cccnc5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H12 compound treatment 0.491 0.0552 2.63 0.491 0.0588 3.54 4.3631 0.9893 3122214 ChemDiv3_010726 COc1ccc(CCNC(=O)c2ccc3nc(c4ccccc4NC(=O)C)c(=O)[nH]c3c2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H13 compound treatment 0.469 0.0332 1.58 0.454 0.0218 1.31 2.0463 0.9958 3032128 ChemDiv3_010727 CC(NC(=O)C(Cc1ccccc1)n2cccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H14 compound treatment 0.43 -0.00584 -0.28 0.436 0.00381 0.23 -0.0347 -0.096 3032130 ChemDiv3_010728 O=C(NCc1ccccc1)c2csc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H15 compound treatment 0.448 0.0122 0.58 0.444 0.0118 0.71 0.9127 0.9948 3122215 ChemDiv3_010729 CCOc1ccc(NC(=O)Cn2cccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H16 compound treatment 0.425 -0.0108 -0.52 0.436 0.00381 0.23 -0.2032 -0.3593 3122216 ChemDiv3_010730 Cc1cccc(N2CCN(CCNC(=O)c3csc4CCCCc34)CC2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H17 compound treatment 0.478 0.0422 2.01 0.479 0.0468 2.82 3.414 0.9863 3032134 ChemDiv3_010731 O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H18 compound treatment 0.429 -0.00684 -0.33 0.432 -1.88E-4 -0.01 -0.2387 -0.7311 1616911 ChemDiv3_010732 Clc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H19 compound treatment 0.436 1.56E-4 0.01 0.435 0.00281 0.17 0.125 0.7375 3122402 ChemDiv3_010733 O=C(NC1CCCC1)C2CCCN2S(=O)(=O)c3cccc4cccnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H20 compound treatment 0.429 -0.00684 -0.33 0.431 -0.00119 -0.07 -0.2812 -0.8421 1240640 ChemDiv3_010734 CC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(C)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H21 compound treatment 0.433 -0.00284 -0.14 0.431 -0.00119 -0.07 -0.1464 -0.9553 3122403 ChemDiv3_010735 Cc1nnc2ccc(NCCC3=CCCCC3)nn12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H22 compound treatment 0.434 -0.00184 -0.09 0.428 -0.00419 -0.25 -0.2404 -0.9005 3122404 ChemDiv3_010736 CCOC(=O)N1CCC(CC1)NC(=O)Cn2ncc3COc4ccc(C)cc4-c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H23 mock treatment 0.432 -0.00384 -0.18 0.434 0.00181 0.11 -0.0524 -0.2457 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 H24 mock treatment 0.439 0.00316 0.15 0.427 -0.00519 -0.31 -0.1145 -0.3302 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I01 compound treatment 0.432 -0.00384 -0.18 0.436 0.00381 0.23 0.0328 0.1115 3032203 ChemDiv3_010737 Cc1ccc(/C=C\2/Sc3ccc(cc3NC2=O)C(=O)NCCN4CCOCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I02 compound treatment 0.492 0.0562 2.68 0.496 0.0638 3.84 4.6097 0.9844 3122405 ChemDiv3_010738 O=C(NCCc1ccsc1)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I03 compound treatment 0.442 0.00616 0.29 0.435 0.00281 0.17 0.3273 0.9659 3032206 ChemDiv3_010739 COC(CNC(=O)Cn1ncc2ccsc2c1=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I04 compound treatment 0.434 -0.00184 -0.09 0.434 0.00181 0.11 0.015 0.1072 3122406 ChemDiv3_010740 Fc1cccc(c1)C(=O)N2CCN(CC2)c3ccc4nncn4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I05 compound treatment 0.437 0.00116 0.06 0.441 0.00881 0.53 0.4142 0.7764 3122407 ChemDiv3_010741 O=C(CSc1nc2CCCc2c(=O)[nH]1)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I06 compound treatment 0.466 0.0302 1.44 0.462 0.0298 1.8 2.2858 0.9939 3122408 ChemDiv3_010742 COc1ccc(cc1OC)C2CC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)c4ccccc4S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I07 compound treatment 0.442 0.00616 0.29 0.453 0.0208 1.25 1.0936 0.8497 3032214 ChemDiv3_010743 CC(NC(=O)Cn1sc2nc(C)cc(C)c2c1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I08 compound treatment 0.446 0.0102 0.48 0.441 0.00881 0.53 0.7175 0.999 3032216 ChemDiv3_010744 CCn1ncc(C2=NOC(C2)C(=O)NCc3ccc(Cl)cc3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I09 compound treatment 0.515 0.0792 3.77 0.512 0.0798 4.81 6.0662 0.9928 3122409 ChemDiv3_010745 COc1ccc(NC(=O)c2cc3sccc3n2Cc4ccc(F)cc4)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I10 compound treatment 0.439 0.00316 0.15 0.446 0.0138 0.83 0.6945 0.8217 3032282 ChemDiv3_010746 Cc1ccc(cc1)S(=O)(=O)c2nnn3c2nc(N4CCCC4)c5ccccc53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I11 compound treatment 0.455 0.0192 0.91 0.447 0.0148 0.89 1.2764 0.9999 3122410 ChemDiv3_010747 CCn1c(cc2sccc12)C(=O)NC(C)CCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I12 compound treatment 0.436 1.56E-4 0.01 0.444 0.0118 0.71 0.5082 0.7145 3032287 ChemDiv3_010748 O=C(NCc1cccs1)c2cnc3ccccn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I13 compound treatment 0.441 0.00516 0.25 0.443 0.0108 0.65 0.6341 0.9113 3122411 ChemDiv3_010749 CC1CCc2nc3ccc(cc3c(C(=O)O)c2C1)S(=O)(=O)N4CCC(CC4)C(=O)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I14 compound treatment 0.442 0.00616 0.29 0.441 0.00881 0.53 0.5827 0.961 3032289 ChemDiv3_010750 CCOC(=O)c1c(C)c(c2ccccc2)n(CC(=O)N(CC)CC)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I15 compound treatment 0.439 0.00316 0.15 0.448 0.0158 0.95 0.7796 0.8088 3122412 ChemDiv3_010751 ON1N(C(=O)Nc2ccccc12)c3cc(no3)c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I16 compound treatment 0.455 0.0192 0.91 0.458 0.0258 1.55 1.7447 0.9679 3032293 ChemDiv3_010752 CCOC(=O)c1c(C)c(C(=O)Nc2ccc(cc2)C(C)C)c(C)n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I17 compound treatment 0.568 0.132 6.3 0.57 0.138 8.3 10.322 0.9908 3122413 ChemDiv3_010753 CCN(C(=O)c1cc2COc3cccc(C)c3-c2s1)c4ccccc4CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I18 compound treatment 0.451 0.0152 0.72 0.446 0.0138 0.83 1.0989 0.9975 3122414 ChemDiv3_010754 CCC(Sc1nc2ncccc2c(=O)n1Cc3ccccc3)C(=O)NCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I19 compound treatment 0.426 -0.00984 -0.47 0.428 -0.00419 -0.25 -0.5101 -0.9576 3032296 ChemDiv3_010755 CN(CCNC(=O)c1cc2COc3cccc(C)c3-c2s1)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I20 compound treatment 0.438 0.00216 0.1 0.437 0.00481 0.29 0.2776 0.9028 3122415 ChemDiv3_010756 CC1CCN(CC1)C(=O)CSc2ncnc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I21 compound treatment 0.474 0.0382 1.82 0.477 0.0448 2.7 3.194 0.9816 3032298 ChemDiv3_010757 CN(C(=O)c1cc2COc3ccccc3-c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I22 compound treatment 0.434 -0.00184 -0.09 0.439 0.00681 0.41 0.2279 0.5433 3122416 ChemDiv3_010758 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC3CCCC3)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I23 mock treatment 0.434 -0.00184 -0.09 0.433 8.12E-4 0.05 -0.0276 -0.274 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 I24 mock treatment 0.445 0.00916 0.44 0.429 -0.00319 -0.19 0.1729 0.3627 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J01 compound treatment 0.438 0.00216 0.1 0.441 0.00881 0.53 0.4479 0.8287 3122417 ChemDiv3_010759 Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N3CCCC(C3)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J02 compound treatment 0.426 -0.00984 -0.47 0.428 -0.00419 -0.25 -0.5101 -0.9576 3032386 ChemDiv3_010760 CCC(Sc1ccc2nnc(c3ccccc3)n2n1)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J03 compound treatment 0.495 0.0592 2.82 0.493 0.0608 3.66 4.5831 0.9917 3032445 ChemDiv3_010761 CN(C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J04 compound treatment 0.43 -0.00584 -0.28 0.437 0.00481 0.29 0.0079 0.0197 3122418 ChemDiv3_010762 COc1ccc(cc1)c2nnc3ccc(SCC(=O)N4CCCCC4)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J05 compound treatment 0.467 0.0312 1.49 0.471 0.0388 2.34 2.7026 0.9761 3122419 ChemDiv3_010763 COc1ccc(CCNC(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J06 compound treatment 0.435 -8.44E-4 -0.04 0.442 0.00981 0.59 0.3893 0.6574 3032453 ChemDiv3_010764 Cc1ccc(cc1)c2sc(=S)n3c2n(Cc4ccc(C#N)cc4)c(=O)c5ccccc53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J07 compound treatment 0.428 -0.00784 -0.37 0.434 0.00181 0.11 -0.1872 -0.4807 3122420 ChemDiv3_010765 CC(CNc1nc2ccccc2n3cnnc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J08 compound treatment 0.439 0.00316 0.15 0.429 -0.00319 -0.19 -0.0293 -0.1202 3032457 ChemDiv3_010766 CCn1c(C(=O)O)c(CNCCc2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J09 compound treatment 0.486 0.0502 2.39 0.488 0.0558 3.36 4.0669 0.9861 3122421 ChemDiv3_010767 Cc1ccc2nc(N3CC(=O)N(CCc4ccccc4)C(=O)C3)c5nncn5c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J10 compound treatment 0.432 -0.00384 -0.18 0.428 -0.00419 -0.25 -0.3078 -0.9877 3122422 ChemDiv3_010768 CC(CCc1ccccc1)NCc2c(C(=O)O)n(C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J11 compound treatment 0.44 0.00416 0.2 0.439 0.00681 0.41 0.4301 0.9443 3032461 ChemDiv3_010769 Clc1ccccc1CNC(=O)C(Cc2ccccc2)n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J12 compound treatment 0.432 -0.00384 -0.18 0.443 0.0108 0.65 0.3308 0.4891 3122423 ChemDiv3_010770 CC1CN(CCN1c2cccc(C)c2)C(=O)c3ccc4nc(c5ccccc5NC(=O)C)c(=O)[nH]c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J13 compound treatment 0.427 -0.00884 -0.42 0.44 0.00781 0.47 0.0345 0.0546 3122424 ChemDiv3_010771 COc1cccc(CNC(=O)C(Cc2ccccc2)n3cccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J14 compound treatment 0.429 -0.00684 -0.33 0.43 -0.00219 -0.13 -0.3238 -0.9204 3032526 ChemDiv3_010772 CCC(C)NC(=O)c1csc2CCCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J15 compound treatment 0.462 0.0262 1.25 0.449 0.0168 1.01 1.5975 0.9947 3032528 ChemDiv3_010773 Cc1ccc(C)c(NC(=O)Cn2cccc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J16 compound treatment 0.478 0.0422 2.01 0.469 0.0368 2.22 2.9883 0.9988 3122425 ChemDiv3_010774 CSc1ccc(CCNC(=O)c2csc3CCCCc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J17 compound treatment 0.442 0.00616 0.29 0.434 0.00181 0.11 0.2847 0.9092 3122426 ChemDiv3_010775 CN(C1CCCCC1)C(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J18 compound treatment 0.434 -0.00184 -0.09 0.432 -1.88E-4 -0.01 -0.0701 -0.7914 3032535 ChemDiv3_010776 CCCC(=O)N(C1CS(=O)(=O)C=C1)c2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J19 compound treatment 0.435 -8.44E-4 -0.04 0.438 0.00581 0.35 0.219 0.6217 3122427 ChemDiv3_010777 O=C(C1CCCN1S(=O)(=O)c2cccc3cccnc23)N4CCC(=CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J20 compound treatment 0.436 1.56E-4 0.01 0.431 -0.00119 -0.07 -0.0453 -0.63 3032538 ChemDiv3_010778 COCC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J21 compound treatment 0.435 -8.44E-4 -0.04 0.436 0.00381 0.23 0.1339 0.5745 3122428 ChemDiv3_010779 NC(=O)C1CCN(CC1)C(=O)CCc2nnc3n(Cc4ccccc4)c(=O)c5ccccc5n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J22 compound treatment 0.441 0.00516 0.25 0.444 0.0118 0.71 0.6767 0.8993 3032541 ChemDiv3_010780 CC1CCCCC1NC(=O)Cn2ncc3COc4ccc(C)cc4-c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J23 mock treatment 0.432 -0.00384 -0.18 0.43 -0.00219 -0.13 -0.2227 -0.9869 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 J24 mock treatment 0.439 0.00316 0.15 0.428 -0.00419 -0.25 -0.0719 -0.2449 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K01 compound treatment 0.459 0.0232 1.1 0.458 0.0258 1.55 1.8795 0.986 3122615 ChemDiv3_010781 Cc1ccc(/C=C\2/Sc3ccc(cc3NC2=O)C(=O)N4CCN(CC4)c5ccccc5F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K02 compound treatment 0.464 0.0282 1.34 0.472 0.0398 2.4 2.6441 0.9624 3122616 ChemDiv3_010782 Clc1cccc(CNc2ccc3nnc(c4ccccc4)n3n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K03 compound treatment 0.446 0.0102 0.48 0.444 0.0118 0.71 0.8453 0.9824 3033001 ChemDiv3_010783 COc1ccc(cc1OC)c2c(C)nn3c(cc(C)nc23)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K04 compound treatment 0.443 0.00716 0.34 0.445 0.0128 0.77 0.7867 0.9327 3122617 ChemDiv3_010784 NC(=O)CN1C(=O)CCSc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K05 compound treatment 0.446 0.0102 0.48 0.45 0.0178 1.07 1.1007 0.9354 3122618 ChemDiv3_010785 CCC(Sc1nc2CCCc2c(=O)[nH]1)C(=O)Nc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K06 compound treatment 0.453 0.0172 0.82 0.455 0.0228 1.37 1.5495 0.9693 3033008 ChemDiv3_010786 COc1ccc(cc1OC)C2CC(=O)N(CC(=O)Nc3ccc4OCOc4c3)c5ccccc5S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K07 compound treatment 0.44 0.00416 0.2 0.452 0.0198 1.19 0.9836 0.8134 3122619 ChemDiv3_010787 Cc1cc(C)c2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)sc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K08 compound treatment 0.447 0.0112 0.53 0.453 0.0208 1.25 1.2621 0.9272 3033015 ChemDiv3_010788 CCn1ncc(C2=NOC(C2)C(=O)NCC(C)C)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K09 compound treatment 0.432 -0.00384 -0.18 0.436 0.00381 0.23 0.0328 0.1115 3033080 ChemDiv3_010789 Cn1c(cc2sccc12)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K10 compound treatment 0.448 0.0122 0.58 0.447 0.0148 0.89 1.0404 0.9782 3122620 ChemDiv3_010790 Cc1ccc(cc1)S(=O)(=O)c2nnn3c2nc(NCC4CCCO4)c5ccccc53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K11 compound treatment 0.434 -0.00184 -0.09 0.439 0.00681 0.41 0.2279 0.5433 3122621 ChemDiv3_010791 CCn1c(cc2sccc12)C(=O)NCCCN3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K12 compound treatment 0.444 0.00816 0.39 0.446 0.0138 0.83 0.863 0.94 3033087 ChemDiv3_010792 O=C(NCCCc1ccccc1)c2cnc3ccccn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K13 compound treatment 0.431 -0.00484 -0.23 0.444 0.0118 0.71 0.3396 0.4542 3122622 ChemDiv3_010793 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3nc4CCCCc4c(C(=O)O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K14 compound treatment 0.473 0.0372 1.77 0.462 0.0298 1.8 2.5217 1.0 3033091 ChemDiv3_010794 CCOC(=O)c1cc(c2ccc(C)cc2)n(CC(=O)NC3CCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K15 compound treatment 0.693 0.257 12.26 0.653 0.221 13.3 18.0692 0.9992 3122623 ChemDiv3_010795 COC(=O)c1ccc2O/C(=C\c3ccc(O)cc3)/C(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K16 compound treatment 0.451 0.0152 0.72 0.452 0.0198 1.19 1.3544 0.9711 3033094 ChemDiv3_010796 CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K17 compound treatment 0.45 0.0142 0.67 0.449 0.0168 1.01 1.193 0.9806 3122624 ChemDiv3_010797 CCCN(C(=O)c1cc2COc3cccc(C)c3-c2s1)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K18 compound treatment 0.524 0.0882 4.2 0.541 0.109 6.55 7.6042 0.977 3122625 ChemDiv3_010798 CCC(Sc1nc2ncccc2c(=O)n1Cc3ccccc3)C(=O)Nc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K19 compound treatment 0.597 0.161 7.68 0.613 0.181 10.89 13.1302 0.9854 3122626 ChemDiv3_010799 Cc1cc(Br)ccc1NC(=O)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K20 compound treatment 0.471 0.0352 1.68 0.459 0.0268 1.61 2.3266 0.9998 3031974 ChemDiv3_010800 Fc1cccc(NC(=O)CSc2ncnc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K21 compound treatment 0.43 -0.00584 -0.28 0.43 -0.00219 -0.13 -0.2901 -0.9415 3122627 ChemDiv3_010801 CCOC(=O)N1CCC(CC1)NC(=O)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K22 compound treatment 0.459 0.0232 1.1 0.478 0.0458 2.76 2.731 0.9192 3031979 ChemDiv3_010802 Cc1ccc(NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)NC4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K23 mock treatment 0.433 -0.00284 -0.14 0.43 -0.00219 -0.13 -0.189 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 K24 mock treatment 0.449 0.0132 0.63 0.444 0.0118 0.71 0.9464 0.998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L01 compound treatment 0.463 0.0272 1.29 0.478 0.0458 2.76 2.8658 0.9405 3122628 ChemDiv3_010803 O=c1[nH]c2ncccc2c(=O)n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L02 compound treatment 0.445 0.00916 0.44 0.45 0.0178 1.07 1.067 0.9215 3122629 ChemDiv3_010804 COC(=O)c1ccc(CSc2ccc3nnc(c4ccc(Cl)cc4)n3n2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L03 compound treatment 0.444 0.00816 0.39 0.442 0.00981 0.59 0.6927 0.9794 3031984 ChemDiv3_010805 COc1ccc(C)cc1N(C)C(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L04 compound treatment 0.439 0.00316 0.15 0.44 0.00781 0.47 0.439 0.8889 3122630 ChemDiv3_010806 COc1ccc(cc1)c2nnc3ccc(SCC(=O)N)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L05 compound treatment 0.44 0.00416 0.2 0.452 0.0198 1.19 0.9836 0.8134 3122631 ChemDiv3_010807 CC1CCCCN1C(=O)Cn2ncc3COc4ccccc4-c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L06 compound treatment 0.456 0.0202 0.96 0.449 0.0168 1.01 1.3952 0.9997 3031988 ChemDiv3_010808 Cc1ccc(NC(=O)CCc2nnc3ccc(NCCCc4ccccc4)nn23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L07 compound treatment 0.457 0.0212 1.01 0.459 0.0268 1.61 1.8547 0.9743 3122632 ChemDiv3_010809 C1Cc2ccccc2N1c3nc4ccccc4n5cnnc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L08 compound treatment 0.437 0.00116 0.06 0.433 8.12E-4 0.05 0.0736 0.9982 3032059 ChemDiv3_010810 OC(=O)c1c(CNCCc2c[nH]c3ccccc23)c4ccccc4n1Cc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L09 compound treatment 0.455 0.0192 0.91 0.45 0.0178 1.07 1.4041 0.9968 3122633 ChemDiv3_010811 CCOC(=O)CNc1nc2ccc(C)cc2n3cnnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L10 compound treatment 0.432 -0.00384 -0.18 0.434 0.00181 0.11 -0.0524 -0.2457 3122634 ChemDiv3_010812 CC(NCc1c(C(=O)O)n(C)c2ccccc12)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L11 compound treatment 0.452 0.0162 0.77 0.457 0.0248 1.49 1.601 0.9525 3032067 ChemDiv3_010813 O=C(NC1CCCC1)C(Cc2ccccc2)n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L12 compound treatment 0.44 0.00416 0.2 0.446 0.0138 0.83 0.7282 0.8517 3122635 ChemDiv3_010814 CC(=O)Nc1ccccc1c2nc3ccc(cc3[nH]c2=O)C(=O)N4CCC(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L13 compound treatment 0.495 0.0592 2.82 0.506 0.0738 4.44 5.1366 0.9759 3032069 ChemDiv3_010815 O=C(C(Cc1ccccc1)n2cccc2)N(CCc3ccccc3)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L14 compound treatment 0.439 0.00316 0.15 0.451 0.0188 1.13 0.9073 0.7941 1517684 ChemDiv3_010816 O=C(NC1CCCCCC1)c2csc3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L15 compound treatment 0.442 0.00616 0.29 0.442 0.00981 0.59 0.6253 0.9478 3122636 ChemDiv3_010817 COc1ccccc1CNC(=O)Cn2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L16 compound treatment 0.444 0.00816 0.39 0.449 0.0168 1.01 0.9907 0.9136 3032074 ChemDiv3_010818 O=C(N1CCc2ccccc12)c3csc4CCCCc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L17 compound treatment 0.499 0.0632 3.01 0.498 0.0658 3.96 4.9308 0.9908 3122637 ChemDiv3_010819 CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L18 compound treatment 0.438 0.00216 0.1 0.434 0.00181 0.11 0.1498 0.9996 3122638 ChemDiv3_010820 Cc1ccc(cc1Cl)N(C2CS(=O)(=O)C=C2)C(=O)C3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L19 compound treatment 0.441 0.00516 0.25 0.443 0.0108 0.65 0.6341 0.9113 3032142 ChemDiv3_010821 CSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c3cccc4cccnc34)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L20 compound treatment 0.44 0.00416 0.2 0.438 0.00581 0.35 0.3876 0.9637 1654273 ChemDiv3_010822 CCCCC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(OC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L21 compound treatment 0.438 0.00216 0.1 0.442 0.00981 0.59 0.4904 0.8178 3032146 ChemDiv3_010823 COc1ccc(NC(=O)CCc2nnc3n(Cc4ccccc4)c(=O)c5ccccc5n23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L22 compound treatment 0.441 0.00516 0.25 0.438 0.00581 0.35 0.4213 0.9851 3122639 ChemDiv3_010824 CCCCN(Cc1ccco1)C(=O)Cn2ncc3COc4ccc(C)cc4-c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L23 mock treatment 0.449 0.0132 0.63 0.44 0.00781 0.47 0.7761 0.99 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 L24 mock treatment 0.445 0.00916 0.44 0.433 8.12E-4 0.05 0.3432 0.7815 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M01 compound treatment 0.47 0.0342 1.63 0.475 0.0428 2.58 2.9741 0.9755 3122640 ChemDiv3_010825 COc1ccc(CCNC(=O)c2ccc3S/C(=C/c4ccc(C)cc4)/C(=O)Nc3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M02 compound treatment 0.443 0.00716 0.34 0.436 0.00381 0.23 0.4035 0.9814 3032153 ChemDiv3_010826 CC1CCCC(C)N1CCCNc2ccc3nnc(c4ccccc4)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M03 compound treatment 0.436 1.56E-4 0.01 0.436 0.00381 0.23 0.1676 0.7297 1675841 ChemDiv3_010827 COc1ccc(cc1)C2SCC(N2C(=O)C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M04 compound treatment 0.446 0.0102 0.48 0.447 0.0148 0.89 0.973 0.9588 3122822 ChemDiv3_010828 CCc1ccc(NC(=O)CN2C(=O)CC(C)Sc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M05 compound treatment 0.444 0.00816 0.39 0.444 0.0118 0.71 0.7778 0.9596 3032156 ChemDiv3_010829 CN(C(=O)CSc1nc2CCCc2c(=O)[nH]1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M06 compound treatment 0.447 0.0112 0.53 0.45 0.0178 1.07 1.1344 0.9476 3122823 ChemDiv3_010830 COc1ccc(cc1OC)C2CC(=O)N(CC(=O)NC3CCCCC3)c4ccccc4S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M07 compound treatment 0.438 0.00216 0.1 0.44 0.00781 0.47 0.4053 0.8418 3032222 ChemDiv3_010831 Cc1cc(C)c2c(=O)n(CC(=O)N3CCCCCC3)sc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M08 compound treatment 0.448 0.0122 0.58 0.446 0.0138 0.83 0.9978 0.9844 3122824 ChemDiv3_010832 CCn1ncc(C2=NOC(C2)C(=O)N3CCC(CC3)C(=O)N)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M09 compound treatment 0.462 0.0262 1.25 0.456 0.0238 1.43 1.8955 0.9976 3032227 ChemDiv3_010833 Cc1cccc(NC(=O)c2cc3sccc3n2C)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M10 compound treatment 0.453 0.0172 0.82 0.448 0.0158 0.95 1.2515 0.9971 3122825 ChemDiv3_010834 CC(C)CCNc1nc2c(nnn2c3ccccc13)S(=O)(=O)c4cc(C)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M11 compound treatment 0.439 0.00316 0.15 0.438 0.00581 0.35 0.3539 0.9289 3032233 ChemDiv3_010835 CC1CC(C)CN(C1)C(=O)c2cc3sc(Cl)cc3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M12 compound treatment 0.44 0.00416 0.2 0.435 0.00281 0.17 0.2598 0.9969 3122826 ChemDiv3_010836 O=C(NCCC(c1ccccc1)c2ccccc2)c3cnc4ccccn4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M13 compound treatment 0.434 -0.00184 -0.09 0.437 0.00481 0.29 0.1427 0.4714 3122827 ChemDiv3_010837 OC(=O)c1c2CCCCCc2nc3ccc(cc13)S(=O)(=O)N4CCC(CC4)C(=O)NC5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M14 compound treatment 0.475 0.0392 1.87 0.476 0.0438 2.64 3.1852 0.9857 3033519 ChemDiv3_010838 CCOC(=O)c1cc(c2ccc(C)cc2)n(CC(=O)NCC3CCCO3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M15 compound treatment 0.443 0.00716 0.34 0.448 0.0158 0.95 0.9144 0.9042 3033520 ChemDiv3_010839 COC(=O)c1ccc2O/C(=C\c3ccc(OCC=C)cc3)/C(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M16 compound treatment 0.442 0.00616 0.29 0.44 0.00781 0.47 0.5401 0.9742 3033521 ChemDiv3_010840 CCNC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M17 compound treatment 0.471 0.0352 1.68 0.471 0.0388 2.34 2.8375 0.9867 3033522 ChemDiv3_010841 Cc1cccc2OCc3cc(sc3-c12)C(=O)N4CCN(CC4)c5ccc(Cl)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M18 compound treatment 0.484 0.0482 2.3 0.492 0.0598 3.6 4.1697 0.9764 3033523 ChemDiv3_010842 O=c1n(Cc2ccccc2)c(SCc3ccc(C#N)cc3)nc4ncccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M19 compound treatment 0.452 0.0162 0.77 0.45 0.0178 1.07 1.303 0.9868 3033524 ChemDiv3_010843 CN(Cc1ccccc1)C(=O)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M20 compound treatment 0.423 -0.0128 -0.61 0.415 -0.0172 -1.03 -1.1647 -0.9686 3033525 ChemDiv3_010844 COc1cccc(NC(=O)CSc2ncnc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M21 compound treatment 0.428 -0.00784 -0.37 0.427 -0.00519 -0.31 -0.4853 -0.996 3122828 ChemDiv3_010845 CN1CCN(CC1)c2ccccc2NC(=O)c3cc4COc5ccccc5-c4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M22 compound treatment 0.439 0.00316 0.15 0.437 0.00481 0.29 0.3113 0.9534 3122829 ChemDiv3_010846 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NC3CCCCC3)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M23 mock treatment 0.435 -8.44E-4 -0.04 0.428 -0.00419 -0.25 -0.2067 -0.8097 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 M24 mock treatment 0.443 0.00716 0.34 0.437 0.00481 0.29 0.4461 0.9967 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N01 compound treatment 0.443 0.00716 0.34 0.448 0.0158 0.95 0.9144 0.9042 3033526 ChemDiv3_010847 O=c1n(Cc2ccccc2)c(=O)c3cccnc3n1CC#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N02 compound treatment 0.433 -0.00284 -0.14 0.426 -0.00619 -0.37 -0.3593 -0.9063 3033527 ChemDiv3_010848 CSc1ccc2nnc(c3ccc(F)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N03 compound treatment 0.542 0.106 5.06 0.527 0.0948 5.71 7.6149 0.9982 3122830 ChemDiv3_010849 CCN(C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N04 compound treatment 0.433 -0.00284 -0.14 0.432 -1.88E-4 -0.01 -0.1038 -0.7634 3033528 ChemDiv3_010850 COC(=O)CSc1ccc2nnc(c3ccc(OC)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N05 compound treatment 0.454 0.0182 0.87 0.457 0.0248 1.49 1.6684 0.9663 3122831 ChemDiv3_010851 CCc1ccc(NC(=O)Cn2ncc3COc4ccccc4-c32)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N06 compound treatment 0.428 -0.00784 -0.37 0.437 0.00481 0.29 -0.0595 -0.1258 3122832 ChemDiv3_010852 Cc1ccc(NC(=O)CCc2nnc3ccc(nn23)N4CCC5(CC4)OCCO5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N07 compound treatment 0.435 -8.44E-4 -0.04 0.442 0.00981 0.59 0.3893 0.6574 3033529 ChemDiv3_010853 C(Nc1nc2ccccc2n3cnnc13)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N08 compound treatment 0.424 -0.0118 -0.56 0.434 0.00181 0.11 -0.3221 -0.5601 3122833 ChemDiv3_010854 Cn1c(C(=O)O)c(CNCCC2=CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N09 compound treatment 0.429 -0.00684 -0.33 0.424 -0.00819 -0.49 -0.5793 -0.9799 3033530 ChemDiv3_010855 CC1CCCC(C)N1CCNc2nc3ccccc3c4nc(nn24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N10 compound treatment 0.437 0.00116 0.06 0.437 0.00481 0.29 0.2439 0.8268 3122834 ChemDiv3_010856 OC(=O)c1c(CNCCc2ccc(Cl)cc2)c3ccccc3n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N11 compound treatment 0.442 0.00616 0.29 0.448 0.0158 0.95 0.8807 0.884 3122835 ChemDiv3_010857 COc1ccc(CCNC(=O)C(Cc2ccccc2)n3cccc3)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N12 compound treatment 0.462 0.0262 1.25 0.466 0.0338 2.04 2.3212 0.9723 3033531 ChemDiv3_010858 Clc1cc(Cl)cc(NC(=O)CC2Oc3ccccc3NC2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N13 compound treatment 0.52 0.0842 4.01 0.52 0.0878 5.29 6.5753 0.9907 3122836 ChemDiv3_010859 Cc1ccc2nc(NC(=O)C(Cc3ccccc3)n4cccc4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N14 compound treatment 0.432 -0.00384 -0.18 0.432 -1.88E-4 -0.01 -0.1375 -0.7493 3033532 ChemDiv3_010860 COC(CNC(=O)c1csc2CCCCc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N15 compound treatment 0.453 0.0172 0.82 0.459 0.0268 1.61 1.7198 0.9503 3122837 ChemDiv3_010861 CC(C)c1ccc(NC(=O)Cn2cccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N16 compound treatment 0.455 0.0192 0.91 0.459 0.0268 1.61 1.7872 0.9636 3033533 ChemDiv3_010862 O=C(NCCc1ccccc1)c2csc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N17 compound treatment 0.431 -0.00484 -0.23 0.431 -0.00119 -0.07 -0.2138 -0.8846 3122838 ChemDiv3_010863 Cc1ccc(CCNC(=O)C2(CCCCC2)NS(=O)(=O)c3cccc4cccnc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N18 compound treatment 0.437 0.00116 0.06 0.432 -1.88E-4 -0.01 0.031 0.5508 3122839 ChemDiv3_010864 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3cc4ccccc4oc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N19 compound treatment 0.436 1.56E-4 0.01 0.432 -1.88E-4 -0.01 -0.0027 -0.2008 3033534 ChemDiv3_010865 CN(CC(=O)Nc1cccnc1)S(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N20 compound treatment 0.431 -0.00484 -0.23 0.433 8.12E-4 0.05 -0.1287 -0.5452 3122840 ChemDiv3_010866 COc1ccc(N(C2CS(=O)(=O)C=C2)C(=O)c3cc(C)cc(C)c3)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N21 compound treatment 0.437 0.00116 0.06 0.435 0.00281 0.17 0.1587 0.8912 3033535 ChemDiv3_010867 CC(C)NC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c4ccccc4n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N22 compound treatment 0.5 0.0642 3.06 0.511 0.0788 4.75 5.518 0.9774 3122841 ChemDiv3_010868 Cc1cccc(c1)n2c(SCC(=O)NCc3ccccc3)nc4c5ccccc5oc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N23 mock treatment 0.435 -8.44E-4 -0.04 0.43 -0.00219 -0.13 -0.1216 -0.8828 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 N24 mock treatment 0.439 0.00316 0.15 0.429 -0.00319 -0.19 -0.0293 -0.1202 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O01 compound treatment 0.438 0.00216 0.1 0.435 0.00281 0.17 0.1924 0.9714 3122842 ChemDiv3_010869 CCOc1ccc(CCNC(=O)C2CC(=O)OC2c3ccc(OC)c(OC)c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O02 compound treatment 0.465 0.0292 1.39 0.461 0.0288 1.73 2.2095 0.994 3033536 ChemDiv3_010870 COc1cc(CCNc2ccc3nnc(c4ccccc4)n3n2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O03 compound treatment 0.478 0.0422 2.01 0.476 0.0438 2.64 3.2863 0.991 3122843 ChemDiv3_010871 CCc1cccc(NC(=O)CSc2nc3CCCCc3c(=O)[nH]2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O04 compound treatment 0.443 0.00716 0.34 0.446 0.0138 0.83 0.8293 0.9226 3033537 ChemDiv3_010872 NC(=O)CN1C(=O)CC(Sc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O05 compound treatment 0.443 0.00716 0.34 0.436 0.00381 0.23 0.4035 0.9814 3122844 ChemDiv3_010873 O=c1cc(CSc2nc3CCCc3c(=O)[nH]2)nc4ccccn14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O06 compound treatment 0.437 0.00116 0.06 0.449 0.0168 1.01 0.7548 0.7445 3122845 ChemDiv3_010874 COc1cc(cc(OC)c1OC)C2CC(=O)N(CC(=O)NCC3CCCO3)c4ccccc4S2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O07 compound treatment 0.498 0.0622 2.96 0.534 0.102 6.13 6.4298 0.9444 3033538 ChemDiv3_010875 Cc1ccc(Cn2c(cc3sccc23)C(=O)NCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O08 compound treatment 0.46 0.0242 1.15 0.446 0.0138 0.83 1.4023 0.9872 3122846 ChemDiv3_010876 CCc1ccc(NC(=O)C2CC(=NO2)c3cn(CC)nc3C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O09 compound treatment 0.435 -8.44E-4 -0.04 0.435 0.00281 0.17 0.0913 0.5246 3033539 ChemDiv3_010877 Cn1c(cc2sccc12)C(=O)NCCCN3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O10 compound treatment 0.437 0.00116 0.06 0.437 0.00481 0.29 0.2439 0.8268 3122847 ChemDiv3_010878 Cc1ccc(CNc2nc3c(nnn3c4ccccc24)S(=O)(=O)c5cc(C)ccc5C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O11 compound treatment 0.431 -0.00484 -0.23 0.427 -0.00519 -0.31 -0.3841 -0.9889 3033540 ChemDiv3_010879 CNC(=O)c1cc2sc(Cl)cc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O12 compound treatment 0.447 0.0112 0.53 0.443 0.0108 0.65 0.8364 0.995 3123025 ChemDiv3_010880 CCN(C(=O)c1cnc2ccccn2c1=O)c3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O13 compound treatment 0.432 -0.00384 -0.18 0.447 0.0148 0.89 0.5011 0.5503 3033541 ChemDiv3_010881 Cc1ccnc(NS(=O)(=O)c2ccc(cc2)N3N(O)c4ccccc4NC3=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O14 compound treatment 0.502 0.0662 3.15 0.506 0.0738 4.44 5.3725 0.9859 3123026 ChemDiv3_010882 CCOC(=O)c1cc(c2ccc(C)cc2)n(CC(=O)NCC3COc4ccccc4O3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O15 compound treatment 0.502 0.0662 3.15 0.494 0.0618 3.72 4.8616 0.9966 3033542 ChemDiv3_010883 COC(=O)c1ccc2O/C(=C\c3ccc(C)o3)/C(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O16 compound treatment 0.453 0.0172 0.82 0.615 0.183 11.01 8.3615 0.7576 3123027 ChemDiv3_010884 COc1ccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O17 compound treatment 0.45 0.0142 0.67 0.449 0.0168 1.01 1.193 0.9806 3123028 ChemDiv3_010885 Cc1cccc2OCc3cc(sc3-c12)C(=O)NCCN4CCN(CC4)c5cccc(Cl)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O18 compound treatment 0.447 0.0112 0.53 0.454 0.0218 1.31 1.3047 0.9208 3033543 ChemDiv3_010886 Cc1ccc(Cn2c(SCC(=O)c3ccc(Br)cc3)nc4ncccc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O19 compound treatment 0.432 -0.00384 -0.18 0.426 -0.00619 -0.37 -0.393 -0.9466 3123029 ChemDiv3_010887 O=C(N1CCCC1)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O20 compound treatment 0.437 0.00116 0.06 0.438 0.00581 0.35 0.2864 0.8085 3033544 ChemDiv3_010888 O=C(CSc1ncnc2ccccc12)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O21 compound treatment 0.438 0.00216 0.1 0.434 0.00181 0.11 0.1498 0.9996 3123030 ChemDiv3_010889 CC1CCCC(C)N1C(=O)c2cc3COc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O22 compound treatment 0.485 0.0492 2.34 0.478 0.0458 2.76 3.6074 0.9967 3123031 ChemDiv3_010890 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)NCc3ccccc3)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O23 mock treatment 0.434 -0.00184 -0.09 0.431 -0.00119 -0.07 -0.1127 -0.9948 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 O24 mock treatment 0.454 0.0182 0.87 0.439 0.00681 0.41 0.902 0.9418 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P01 compound treatment 0.451 0.0152 0.72 0.447 0.0148 0.89 1.1415 0.9945 3033545 ChemDiv3_010891 NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c3cccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P02 compound treatment 0.445 0.00916 0.44 0.438 0.00581 0.35 0.5561 0.994 3033546 ChemDiv3_010892 OC(=O)CSc1ccc2nnc(c3ccc(F)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P03 compound treatment 0.452 0.0162 0.77 0.459 0.0268 1.61 1.6861 0.9427 3123032 ChemDiv3_010893 Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCCN4CCN(CC4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P04 compound treatment 0.432 -0.00384 -0.18 0.433 8.12E-4 0.05 -0.095 -0.5008 3123033 ChemDiv3_010894 CCOc1ccc(cc1)c2nnc3ccc(SCc4ccc(o4)C(=O)OC)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P05 compound treatment 0.485 0.0492 2.34 0.485 0.0528 3.18 3.9054 0.9887 3033547 ChemDiv3_010895 O=C(Cn1ncc2COc3ccccc3-c21)NCc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P06 compound treatment 0.436 1.56E-4 0.01 0.438 0.00581 0.35 0.2527 0.722 3123034 ChemDiv3_010896 Cc1ccc(NC(=O)CCc2nnc3ccc(nn23)N4CCN(CC4)C5CCCCC5)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P07 compound treatment 0.449 0.0132 0.63 0.443 0.0108 0.65 0.9038 0.9998 3033548 ChemDiv3_010897 CC1CCCCN1c2nc3ccccc3n4cnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P08 compound treatment 0.441 0.00516 0.25 0.441 0.00881 0.53 0.549 0.9388 3123035 ChemDiv3_010898 OC(=O)c1[nH]c2ccccc2c1CNC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P09 compound treatment 0.449 0.0132 0.63 0.447 0.0148 0.89 1.0741 0.9852 3123036 ChemDiv3_010899 C(CNc1nc2ccccc2c3nc(nn13)c4cccnc4)CN5CCCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P10 compound treatment 0.432 -0.00384 -0.18 0.43 -0.00219 -0.13 -0.2227 -0.9869 3033549 ChemDiv3_010900 CC(C)CCNCc1c(C(=O)O)n(Cc2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P11 compound treatment 0.449 0.0132 0.63 0.443 0.0108 0.65 0.9038 0.9998 3123037 ChemDiv3_010901 CCc1ccc(NC(=O)C(Cc2ccccc2)n3cccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P12 compound treatment 0.449 0.0132 0.63 0.443 0.0108 0.65 0.9038 0.9998 3033550 ChemDiv3_010902 COc1ccc(CNC(=O)CC2Oc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P13 compound treatment 0.442 0.00616 0.29 0.438 0.00581 0.35 0.455 0.9962 3123038 ChemDiv3_010903 CN1CCN(CC1)c2ccccc2NC(=O)C(Cc3ccccc3)n4cccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P14 compound treatment 0.485 0.0492 2.34 0.439 0.00681 0.41 1.947 0.8184 3033551 ChemDiv3_010904 CC(C)CCNC(=O)c1csc2CCCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P15 compound treatment 0.443 0.00716 0.34 0.448 0.0158 0.95 0.9144 0.9042 3123039 ChemDiv3_010905 CCc1cccc(NC(=O)Cn2cccc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P16 compound treatment 0.435 -8.44E-4 -0.04 0.437 0.00481 0.29 0.1765 0.6032 3123040 ChemDiv3_010906 CCN1CCCC1CNC(=O)c2csc3CCCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P17 compound treatment 0.454 0.0182 0.87 0.446 0.0138 0.83 1.2001 0.9998 3033552 ChemDiv3_010907 Cc1ccc(NC(=O)C2(CCCCC2)NS(=O)(=O)c3cccc4cccnc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P18 compound treatment 0.431 -0.00484 -0.23 0.44 0.00781 0.47 0.1693 0.3232 3123041 ChemDiv3_010908 O=C(Cc1cccs1)N(C2CS(=O)(=O)C=C2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P19 compound treatment 0.437 0.00116 0.06 0.439 0.00681 0.41 0.329 0.795 3123042 ChemDiv3_010909 CN(CC(=O)N1CCc2ccccc12)S(=O)(=O)c3cccc4cccnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P20 compound treatment 0.437 0.00116 0.06 0.435 0.00281 0.17 0.1587 0.8912 3033553 ChemDiv3_010910 CCC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(OC)cc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P21 compound treatment 0.464 0.0282 1.34 0.453 0.0208 1.25 1.8352 0.9994 3123043 ChemDiv3_010911 Cc1cccc(CCNC(=O)CCc2nnc3n(Cc4ccccc4)c(=O)c5ccccc5n23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P22 compound treatment 0.539 0.103 4.92 0.538 0.106 6.37 7.9821 0.9918 3033554 ChemDiv3_010912 COc1cccc(c1)n2c(SCC(=O)Nc3ccccc3)nc4c5ccccc5oc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P23 mock treatment 0.44 0.00416 0.2 0.44 0.00781 0.47 0.4727 0.9261 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2031 P24 mock treatment 0.438 0.00216 0.1 0.43 -0.00219 -0.13 -0.0205 -0.1224 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A01 compound treatment 0.433 0.00181 0.09 0.441 0.00703 0.42 0.3604 0.8342 3123044 ChemDiv3_010913 Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc5ccc(F)cc5)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A02 compound treatment 0.438 0.00681 0.32 0.44 0.00603 0.36 0.4864 0.9984 3033555 ChemDiv3_010914 CCOC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A03 compound treatment 0.412 -0.0192 -0.91 0.418 -0.016 -0.96 -1.3266 -0.9997 3033768 ChemDiv3_010915 CCc1ccc(cc1)C(=O)c2cnc3cc4OCOc4cc3c2N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A04 compound treatment 0.486 0.0548 2.61 0.493 0.059 3.55 4.3608 0.9886 3033769 ChemDiv3_010916 O=C(N1CCC(Cc2ccccc2)CC1)c3ccc4Sc5ccccc5C(=O)Nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A05 compound treatment 0.44 0.00881 0.42 0.438 0.00403 0.24 0.4687 0.966 3033771 ChemDiv3_010917 COc1ccc(cc1)S(=O)(=O)c2c(cnc3cc(OC)c(OC)cc23)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A06 compound treatment 0.491 0.0598 2.85 0.474 0.04 2.41 3.7205 0.9965 3033773 ChemDiv3_010918 Cc1cc2n(Cc3ccc(Cl)cc3)c(cc2o1)C(=O)NCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A07 compound treatment 0.43 -0.00119 -0.06 0.435 0.00103 0.06 0.0039 0.0461 3033775 ChemDiv3_010919 COC(=O)c1cc2oc(C)cc2n1CC(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A08 compound treatment 0.431 -1.88E-4 -0.01 0.435 0.00103 0.06 0.0376 0.5991 3033776 ChemDiv3_010920 O=C(Cn1ncc2ccccc12)NCc3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A09 compound treatment 0.465 0.0338 1.61 0.453 0.019 1.15 1.95 0.986 3123045 ChemDiv3_010921 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A10 compound treatment 0.451 0.0198 0.94 0.454 0.02 1.21 1.5207 0.9927 3033778 ChemDiv3_010922 CC(CCc1ccco1)NC(=O)Cn2ncc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A11 compound treatment 0.435 0.00381 0.18 0.435 0.00103 0.06 0.1724 0.8977 3123046 ChemDiv3_010923 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NC(C)c4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A12 compound treatment 0.438 0.00681 0.32 0.443 0.00903 0.54 0.6141 0.9696 3033780 ChemDiv3_010924 COC(=O)c1cc2sccc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A13 compound treatment 0.429 -0.00219 -0.1 0.443 0.00903 0.54 0.3108 0.5613 3123047 ChemDiv3_010925 CC(C)CCNC(=O)C1CCN(CC1)C(=O)c2cc3sccc3n2Cc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A14 compound treatment 0.47 0.0388 1.85 0.461 0.027 1.63 2.4591 0.998 3033782 ChemDiv3_010926 CCc1ccc(NC(=O)Cn2c(cc3oc4ccccc4c23)C(=O)OC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A15 compound treatment 0.428 -0.00319 -0.15 0.423 -0.011 -0.66 -0.5744 -0.8476 3123048 ChemDiv3_010927 CCCNC(=O)c1ccc(CSc2nc3cnccc3[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A16 compound treatment 0.449 0.0178 0.85 0.451 0.017 1.03 1.3255 0.9956 3123049 ChemDiv3_010928 CCC(C(=O)NCc1cc(Br)ccc1OC)n2nc(C)n3c4ccoc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A17 compound treatment 0.424 -0.00719 -0.34 0.433 -9.69E-4 -0.06 -0.2835 -0.8157 3033784 ChemDiv3_010929 O=C(NCc1cccnc1)C2=CCN(CC2)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A18 compound treatment 0.466 0.0348 1.66 0.459 0.025 1.51 2.2391 0.9988 3123050 ChemDiv3_010930 CN(Cc1ccccc1)c2nnc(NC(=O)c3cc(on3)c4ccc(Br)cc4)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A19 compound treatment 0.422 -0.00919 -0.44 0.426 -0.00797 -0.48 -0.649 -0.999 3033786 ChemDiv3_010931 CCc1nn(CC(=O)N2CCC(CC2)C(=O)N)c(=O)c3cc4sccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A20 compound treatment 0.432 8.12E-4 0.04 0.431 -0.00297 -0.18 -0.099 -0.5413 3123051 ChemDiv3_010932 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A21 compound treatment 0.432 8.12E-4 0.04 0.426 -0.00797 -0.48 -0.3119 -0.6479 3033788 ChemDiv3_010933 CCCNC(=O)Cn1ncn2c3cc(CC)sc3cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A22 compound treatment 0.433 0.00181 0.09 0.427 -0.00697 -0.42 -0.2356 -0.55 3123230 ChemDiv3_010934 COc1ccc(CNC(=O)C2CSC(=O)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A23 mock treatment 0.422 -0.00919 -0.44 0.425 -0.00897 -0.54 -0.6915 -0.9946 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 A24 mock treatment 0.424 -0.00719 -0.34 0.413 -0.021 -1.26 -1.135 -0.8676 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B01 compound treatment 0.451 0.0198 0.94 0.448 0.014 0.84 1.2652 0.9985 3123231 ChemDiv3_010935 O=C(Cn1c(cc2ccccc12)c3cccs3)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B02 compound treatment 0.496 0.0648 3.09 0.502 0.068 4.1 5.0811 0.9903 3033790 ChemDiv3_010936 CCc1ccc(NC(=O)Cn2cnc3n(ncc3c2=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B03 compound treatment 0.446 0.0148 0.71 0.453 0.019 1.15 1.3095 0.9729 1116319 ChemDiv3_010937 OC(=O)C1CSC(N1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B04 compound treatment 0.438 0.00681 0.32 0.454 0.02 1.21 1.0825 0.8666 3123232 ChemDiv3_010938 COc1ccccc1NC(=O)Cn2cnc3n(ncc3c2=O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B05 compound treatment 0.496 0.0648 3.09 0.511 0.077 4.64 5.4643 0.9805 3123233 ChemDiv3_010939 CCOc1cc2sc(nc2cc1Br)N3CCC(CC3)C(=O)N(C)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B06 compound treatment 0.442 0.0108 0.52 0.447 0.013 0.78 0.9193 0.9792 3033793 ChemDiv3_010940 O=C(Nc1ccc2nc3CCCCn3c(=O)c2c1)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B07 compound treatment 0.449 0.0178 0.85 0.453 0.019 1.15 1.4107 0.9891 3123234 ChemDiv3_010941 CCOC(=O)N1CCC(CC1)NC(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B08 compound treatment 0.458 0.0268 1.28 0.451 0.017 1.03 1.6289 0.994 3033795 ChemDiv3_010942 Clc1ccc(OCC(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B09 compound treatment 0.45 0.0188 0.9 0.457 0.023 1.39 1.6147 0.9777 3033829 ChemDiv3_010943 N/C(=N/O)/c1ccccc1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B10 compound treatment 0.446 0.0148 0.71 0.448 0.014 0.84 1.0967 0.996 3033831 ChemDiv3_010944 CCNc1sc(nc1S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B11 compound treatment 0.446 0.0148 0.71 0.445 0.011 0.66 0.9689 0.9995 3033833 ChemDiv3_010945 FC(F)(F)c1cccc(NC(=O)NC2CN(Cc3ccccc3)C(=O)C2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B12 compound treatment 0.443 0.0118 0.56 0.45 0.016 0.97 1.0807 0.9671 3033834 ChemDiv3_010946 O=C(NC1CCCCCC1)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B13 compound treatment 0.478 0.0468 2.23 0.476 0.042 2.53 3.3674 0.998 3033835 ChemDiv3_010947 CCc1cccc(NC(=O)CCCN2C(=O)COc3ccc(C)cc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B14 compound treatment 0.56 0.129 6.14 0.571 0.137 8.25 10.176 0.9894 3033837 ChemDiv3_010948 O=C(NCCC1=CCCCC1)c2cc3CSc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B15 compound treatment 0.476 0.0448 2.14 0.479 0.045 2.71 3.4277 0.993 3033838 ChemDiv3_010949 COC(=O)c1ccc(c2ccco2)n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B16 compound treatment 0.483 0.0518 2.47 0.48 0.046 2.77 3.7062 0.9983 3123235 ChemDiv3_010950 CN(CC(=O)Nc1ccc(NC(=O)C)cc1)S(=O)(=O)c2ccc3nc(C)sc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B17 compound treatment 0.502 0.0708 3.38 0.507 0.073 4.4 5.4962 0.9915 3033841 ChemDiv3_010951 COC(CNC(=O)Cn1nc(c2ccccc2)c3cc(Cl)ccc13)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B18 compound treatment 0.461 0.0298 1.42 0.46 0.026 1.57 2.1132 0.9988 3123236 ChemDiv3_010952 COc1ccc(OC)c(CCNC(=O)Cn2cccc2C(=O)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B19 compound treatment 0.451 0.0198 0.94 0.448 0.014 0.84 1.2652 0.9985 3033842 ChemDiv3_010953 O=C(N1CCOc2ccccc12)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B20 compound treatment 0.444 0.0128 0.61 0.447 0.013 0.78 0.9867 0.9923 3123237 ChemDiv3_010954 CCCNC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B21 compound treatment 0.445 0.0138 0.66 0.442 0.00803 0.48 0.8075 0.9885 3033845 ChemDiv3_010955 OC(=O)C1CCN(CC1)C(=O)N2CCOc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B22 compound treatment 0.45 0.0188 0.9 0.446 0.012 0.72 1.1464 0.9944 3123238 ChemDiv3_010956 CCc1cccc(NC(=O)c2sc(nc2C)n3cccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B23 mock treatment 0.442 0.0108 0.52 0.444 0.01 0.6 0.7915 0.9969 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 B24 mock treatment 0.434 0.00281 0.13 0.432 -0.00197 -0.12 0.011 0.0614 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C01 compound treatment 0.433 0.00181 0.09 0.432 -0.00197 -0.12 -0.0227 -0.1549 3123239 ChemDiv3_010957 COc1ccccc1NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C02 compound treatment 0.422 -0.00919 -0.44 0.432 -0.00197 -0.12 -0.3935 -0.8673 1358704 ChemDiv3_010958 CCOC(=O)Cc1csc(NC(=O)Nc2cccs2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C03 compound treatment 0.437 0.00581 0.28 0.441 0.00703 0.42 0.4953 0.9789 3123240 ChemDiv3_010959 CC1CCN(CC1)c2c(cnc3ccccc23)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C04 compound treatment 0.432 8.12E-4 0.04 0.444 0.01 0.6 0.4545 0.7509 3033848 ChemDiv3_010960 CNC(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C05 compound treatment 0.418 -0.0132 -0.63 0.425 -0.00897 -0.54 -0.8264 -0.9971 3123241 ChemDiv3_010961 O=C(NCc1ccccc1)c2cc3CS(=O)(=O)Cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C06 compound treatment 0.431 -1.88E-4 -0.01 0.439 0.00503 0.3 0.2079 0.6859 3033851 ChemDiv3_010962 CC(CCc1ccccc1)NC(=O)c2c(C)c(C)sc2n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C07 compound treatment 0.422 -0.00919 -0.44 0.427 -0.00697 -0.42 -0.6064 -0.9998 3123242 ChemDiv3_010963 COC(=O)c1cc2oc(C)cc2n1CC(=O)Cc3ccc(OC)cc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C08 compound treatment 0.456 0.0248 1.18 0.455 0.021 1.27 1.7318 0.9994 3123243 ChemDiv3_010964 O=C(Cn1ncc2ccccc12)NC3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C09 compound treatment 0.427 -0.00419 -0.2 0.437 0.00303 0.18 -0.0121 -0.0447 3033852 ChemDiv3_010965 CCC(C(=O)NC1CCCCC1)n2c(cc3sc(Cl)cc23)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C10 compound treatment 0.483 0.0518 2.47 0.479 0.045 2.71 3.6637 0.9989 3123244 ChemDiv3_010966 COc1ccc(Br)cc1CNC(=O)c2cc(c3ccccc3)n(C)c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C11 compound treatment 0.462 0.0308 1.47 0.457 0.023 1.39 2.0192 0.9996 3123245 ChemDiv3_010967 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)N4CCN(CC4)c5cccc(C)c5C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C12 compound treatment 0.469 0.0378 1.8 0.482 0.048 2.89 3.3195 0.9741 3033882 ChemDiv3_010968 COC(=O)c1cc2sc(Cl)cc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C13 compound treatment 0.461 0.0298 1.42 0.458 0.024 1.45 2.028 1.0 3033883 ChemDiv3_010969 CC1CCCCC1NC(=O)C2CCN(CC2)C(=O)c3cc4sccc4n3Cc5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C14 compound treatment 0.456 0.0248 1.18 0.454 0.02 1.21 1.6892 1.0 3033884 ChemDiv3_010970 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C15 compound treatment 0.408 -0.0232 -1.11 0.405 -0.029 -1.74 -2.0149 -0.9758 3033886 ChemDiv3_010971 CC1CCN(CC1)C(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C16 compound treatment 0.428 -0.00319 -0.15 0.425 -0.00897 -0.54 -0.4893 -0.8722 3033887 ChemDiv3_010972 CCc1nn(CC(=O)OC)c(=O)c2cc3sc(C)cc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C17 compound treatment 0.434 0.00281 0.13 0.43 -0.00397 -0.24 -0.0742 -0.2707 3033889 ChemDiv3_010973 Cc1ccc(C)c(NC(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C18 compound treatment 0.43 -0.00119 -0.06 0.434 3.12E-5 0.0 -0.0387 -0.6832 3123246 ChemDiv3_010974 Fc1cccc2sc3c(ncnc3c12)N4CCC(CC4)C(=O)N5CCCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C19 compound treatment 0.418 -0.0132 -0.63 0.42 -0.014 -0.84 -1.0392 -0.9897 3033890 ChemDiv3_010975 CN(Cc1ccccc1)C(=O)CCCn2nc(C)n3c4ccsc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C20 compound treatment 0.485 0.0538 2.57 0.478 0.044 2.65 3.6885 0.9999 3123247 ChemDiv3_010976 O=C(NCc1ccccc1)c2ccc(cc2)N3C(=O)Cn4c(cc5sccc45)C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C21 compound treatment 0.419 -0.0122 -0.58 0.413 -0.021 -1.26 -1.3036 -0.938 3033892 ChemDiv3_010977 CCc1cc2c(cc3c(=O)n(CC(=O)N4CC(C)CC(C)C4)nc(CC)n23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C22 compound treatment 0.536 0.105 5.0 0.554 0.12 7.23 8.6433 0.9838 3123248 ChemDiv3_010978 CCc1ccc(NCc2cn(nc2c3cccs3)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C23 mock treatment 0.406 -0.0252 -1.2 0.415 -0.019 -1.14 -1.6566 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 C24 mock treatment 0.418 -0.0132 -0.63 0.419 -0.015 -0.9 -1.0818 -0.9845 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D01 compound treatment 0.443 0.0118 0.56 0.439 0.00503 0.3 0.6124 0.9577 3123249 ChemDiv3_010979 CC1CC(C)CN(CCCNC(=O)Cn2ncn3c(C)c(C(=O)NC4CCCCC4)c(C)c3c2=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D02 compound treatment 0.438 0.00681 0.32 0.437 0.00303 0.18 0.3587 0.9629 3033894 ChemDiv3_010980 O=c1n(CC#N)cnc2n(ncc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D03 compound treatment 0.458 0.0268 1.28 0.453 0.019 1.15 1.714 0.9985 3033896 ChemDiv3_010981 COC(=O)Cn1ncn2nc(cc2c1=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D04 compound treatment 0.439 0.00781 0.37 0.431 -0.00297 -0.18 0.1369 0.3315 3123250 ChemDiv3_010982 CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D05 compound treatment 0.445 0.0138 0.66 0.437 0.00303 0.18 0.5946 0.8703 3033898 ChemDiv3_010983 C/C(=N\O)/c1ccc(O)cc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D06 compound treatment 0.433 0.00181 0.09 0.431 -0.00297 -0.18 -0.0653 -0.3289 3123251 ChemDiv3_010984 COc1ccc(CC(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D07 compound treatment 0.428 -0.00319 -0.15 0.434 3.12E-5 0.0 -0.1061 -0.6983 3123252 ChemDiv3_010985 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D08 compound treatment 0.437 0.00581 0.28 0.441 0.00703 0.42 0.4953 0.9789 3033901 ChemDiv3_010986 CN(CC(=O)N1CCC(=CC1)c2ccccc2)S(=O)(=O)c3c[nH]cn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D09 compound treatment 0.433 0.00181 0.09 0.439 0.00503 0.3 0.2753 0.8739 3033902 ChemDiv3_010987 OC(=O)c1csc2CCCCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D10 compound treatment 0.511 0.0798 3.8 0.494 0.06 3.61 5.2461 0.9997 3123253 ChemDiv3_010988 CCN(Cc1ccccc1)c2sc(nc2S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D11 compound treatment 0.434 0.00281 0.13 0.446 0.012 0.72 0.607 0.824 3033904 ChemDiv3_010989 Fc1ccc(NC(=O)NC2CN(Cc3ccccc3)C(=O)C2)c(F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D12 compound treatment 0.433 0.00181 0.09 0.43 -0.00397 -0.24 -0.1079 -0.4245 3123254 ChemDiv3_010990 CCN1CCCC1CNC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D13 compound treatment 0.436 0.00481 0.23 0.443 0.00903 0.54 0.5467 0.9264 3033905 ChemDiv3_010991 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D14 compound treatment 0.526 0.0948 4.52 0.505 0.071 4.28 6.22 0.9996 3123255 ChemDiv3_010992 CN(C(=O)c1cc2CSc3ccccc3-c2s1)c4cc(C)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D15 compound treatment 0.431 -1.88E-4 -0.01 0.427 -0.00697 -0.42 -0.303 -0.722 3033907 ChemDiv3_010993 COC(=O)c1cnn(c1N)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D16 compound treatment 0.443 0.0118 0.56 0.437 0.00303 0.18 0.5272 0.8907 3123256 ChemDiv3_010994 COC(=O)c1ccc2N3CCCC3C(=O)N(Cc4nc(oc4C)c5cccc(Cl)c5)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D17 compound treatment 0.468 0.0368 1.75 0.463 0.029 1.75 2.4769 1.0 3033909 ChemDiv3_010995 Cc1ccc(Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D18 compound treatment 0.441 0.00981 0.47 0.434 3.12E-5 0.0 0.3321 0.7099 3123257 ChemDiv3_010996 O=C(Cn1cccc1C(=O)c2ccccc2)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D19 compound treatment 0.449 0.0178 0.85 0.458 0.024 1.45 1.6235 0.9677 3033942 ChemDiv3_010997 COC(=O)Cn1ncc2c3ccccc3n(Cc4cc(C)ccc4C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D20 compound treatment 0.425 -0.00619 -0.29 0.429 -0.00497 -0.3 -0.4201 -1.0 3033944 ChemDiv3_010998 CCNC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D21 compound treatment 0.43 -0.00119 -0.06 0.428 -0.00597 -0.36 -0.2941 -0.8085 3033945 ChemDiv3_010999 COC(=O)Cn1c(=O)c2cccn2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D22 compound treatment 0.49 0.0588 2.8 0.479 0.045 2.71 3.8996 0.9999 3033947 ChemDiv3_011000 Fc1cccc(NC(=O)C2CCN(CC2)c3ncnc4c3sc5cccc(F)c54)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D23 mock treatment 0.433 0.00181 0.09 0.434 3.12E-5 0.0 0.0624 0.7223 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 D24 mock treatment 0.428 -0.00319 -0.15 0.425 -0.00897 -0.54 -0.4893 -0.8722 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E01 compound treatment 0.437 0.00581 0.28 0.433 -9.69E-4 -0.06 0.1547 0.5463 3033948 ChemDiv3_011001 CC(C)n1c(SCC(=O)N)nc2c3ccccc3oc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E02 compound treatment 0.434 0.00281 0.13 0.44 0.00603 0.36 0.3516 0.9082 3033950 ChemDiv3_011002 CC1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E03 compound treatment 0.441 0.00981 0.47 0.445 0.011 0.66 0.8004 0.9853 3033951 ChemDiv3_011003 O=S(=O)(c1ccccc1)c2cnc3ccccc3c2N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E04 compound treatment 0.537 0.106 5.04 0.534 0.1 6.02 7.8255 0.9961 3120200 ChemDiv3_011004 CCC(Cc1ccccc1)NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E05 compound treatment 0.446 0.0148 0.71 0.437 0.00303 0.18 0.6283 0.8616 3033953 ChemDiv3_011005 O=C(NC1CCCC1)c2cc3CS(=O)(=O)Cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E06 compound treatment 0.508 0.0768 3.66 0.497 0.063 3.8 5.2727 0.9998 3120201 ChemDiv3_011006 COc1ccc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E07 compound treatment 0.458 0.0268 1.28 0.465 0.031 1.87 2.2249 0.9829 3033955 ChemDiv3_011007 COC(=O)c1cc2sccc2n1CC(=O)Nc3ccc(cc3)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E08 compound treatment 0.445 0.0138 0.66 0.455 0.021 1.27 1.361 0.9536 3120202 ChemDiv3_011008 CC(CNC(=O)Cn1ncc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E09 compound treatment 0.441 0.00981 0.47 0.44 0.00603 0.36 0.5875 0.9922 3120203 ChemDiv3_011009 COC(=O)c1cc2ccsc2n1CC(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E10 compound treatment 0.629 0.198 9.43 0.605 0.171 10.3 13.9494 0.999 3033957 ChemDiv3_011010 Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cccc5ccccc45)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E11 compound treatment 0.442 0.0108 0.52 0.427 -0.00697 -0.42 0.0678 0.102 3120204 ChemDiv3_011011 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E12 compound treatment 0.445 0.0138 0.66 0.444 0.01 0.6 0.8927 0.9991 3033959 ChemDiv3_011012 Cn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E13 compound treatment 0.479 0.0478 2.28 0.481 0.047 2.83 3.614 0.9942 3120205 ChemDiv3_011013 Fc1ccc(Cn2c(cc3sccc23)C(=O)N4CCC(CC4)C(=O)NCCC5=CCCCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E14 compound treatment 0.459 0.0278 1.33 0.453 0.019 1.15 1.7477 0.9974 3120206 ChemDiv3_011014 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E15 compound treatment 0.419 -0.0122 -0.58 0.427 -0.00697 -0.42 -0.7075 -0.9872 3033962 ChemDiv3_011015 CC1CC(C)CN(C1)C(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E16 compound treatment 0.452 0.0208 0.99 0.443 0.00903 0.54 1.086 0.9599 3120207 ChemDiv3_011016 CCc1cc2c(cc3c(=O)[nH]ncn23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E17 compound treatment 0.455 0.0238 1.14 0.447 0.013 0.78 1.3575 0.9837 3120208 ChemDiv3_011017 CCc1nnc(NC(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E18 compound treatment 0.507 0.0758 3.61 0.495 0.061 3.67 5.1539 1.0 3033965 ChemDiv3_011018 CCc1ccc(NC(=O)c2sccc2n3cccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E19 compound treatment 0.435 0.00381 0.18 0.432 -0.00197 -0.12 0.0447 0.206 3120209 ChemDiv3_011019 CC(C)NC(=O)CCCn1nc(C)n2c3ccsc3cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E20 compound treatment 0.437 0.00581 0.28 0.43 -0.00397 -0.24 0.027 0.0737 3033967 ChemDiv3_011020 Cc1cc(=O)nc2c3ccccc3n(CC(=O)N4CCCC4)n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E21 compound treatment 0.441 0.00981 0.47 0.438 0.00403 0.24 0.5024 0.9533 3034002 ChemDiv3_011021 CCOC(=O)N1CCC(CC1)NC(=O)Cn2nc(CC)n3c4cc(CC)sc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E22 compound treatment 0.506 0.0748 3.57 0.504 0.07 4.22 5.5033 0.9965 3034004 ChemDiv3_011022 Fc1ccc(NCc2cn(nc2c3cccs3)c4ccccc4)c(F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E23 mock treatment 0.427 -0.00419 -0.2 0.428 -0.00597 -0.36 -0.3953 -0.9615 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 E24 mock treatment 0.442 0.0108 0.52 0.435 0.00103 0.06 0.4084 0.7866 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F01 compound treatment 0.452 0.0208 0.99 0.444 0.01 0.6 1.1286 0.9717 3034005 ChemDiv3_011023 Clc1ccccc1CNC(=O)C2=CSCCO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F02 compound treatment 0.449 0.0178 0.85 0.45 0.016 0.97 1.2829 0.998 3034007 ChemDiv3_011024 Clc1ccc(Cn2cnc3n(ncc3c2=O)c4ccc(Cl)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F03 compound treatment 0.458 0.0268 1.28 0.456 0.022 1.33 1.8418 0.9998 3034009 ChemDiv3_011025 CCc1ccc(CNC(=O)CN2C(=O)CSc3ncccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F04 compound treatment 0.45 0.0188 0.9 0.45 0.016 0.97 1.3167 0.9993 3034010 ChemDiv3_011026 CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F05 compound treatment 0.464 0.0328 1.56 0.463 0.029 1.75 2.342 0.9985 3034012 ChemDiv3_011027 OC(=O)c1ccc2nc(sc2c1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F06 compound treatment 0.456 0.0248 1.18 0.453 0.019 1.15 1.6466 0.9999 3120210 ChemDiv3_011028 COc1ccc(/C=C/C(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F07 compound treatment 0.454 0.0228 1.09 0.459 0.025 1.51 1.8347 0.9872 3034013 ChemDiv3_011029 CCOC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(C)cc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F08 compound treatment 0.446 0.0148 0.71 0.452 0.018 1.09 1.267 0.9783 3120211 ChemDiv3_011030 CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F09 compound treatment 0.455 0.0238 1.14 0.442 0.00803 0.48 1.1446 0.9277 3034015 ChemDiv3_011031 Cc1c(oc2CCCC(=O)c12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F10 compound treatment 0.443 0.0118 0.56 0.449 0.015 0.91 1.0381 0.9739 3120212 ChemDiv3_011032 CCNc1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F11 compound treatment 0.417 -0.0142 -0.68 0.416 -0.018 -1.08 -1.2432 -0.9744 3034018 ChemDiv3_011033 CC1(CC(=O)c2cc(O)ccc2O1)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F12 compound treatment 0.447 0.0158 0.75 0.446 0.012 0.72 1.0452 0.9998 3120213 ChemDiv3_011034 CCc1ccc(NC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F13 compound treatment 0.454 0.0228 1.09 0.458 0.024 1.45 1.7921 0.9901 3034020 ChemDiv3_011035 COC(=O)c1ccc([nH]1)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F14 compound treatment 0.546 0.115 5.47 0.531 0.097 5.84 8.0011 0.9995 3120214 ChemDiv3_011036 CCN(C(=O)c1cc2CSc3ccccc3-c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F15 compound treatment 0.45 0.0188 0.9 0.444 0.01 0.6 1.0612 0.9815 3034022 ChemDiv3_011037 CNC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3n(C4CCCC4)c(C)nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F16 compound treatment 0.455 0.0238 1.14 0.448 0.014 0.84 1.4 0.9894 3120215 ChemDiv3_011038 O=C(Cn1cccc1C(=O)c2ccccc2)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F17 compound treatment 0.517 0.0858 4.09 0.499 0.065 3.92 5.6612 0.9998 3120216 ChemDiv3_011039 COC(=O)Cn1ncc2c3ccccc3n(Cc4cccc(Cl)c4)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F18 compound treatment 0.458 0.0268 1.28 0.449 0.015 0.91 1.5437 0.9857 3034024 ChemDiv3_011040 CNC(=O)Cn1cccc1C(=O)c2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F19 compound treatment 0.472 0.0408 1.95 0.475 0.041 2.47 3.1226 0.993 3120217 ChemDiv3_011041 OC(=O)CCCn1c2ccccc2c3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F20 compound treatment 0.441 0.00981 0.47 0.441 0.00703 0.42 0.6301 0.9988 3034027 ChemDiv3_011042 O=C(NCCCN1CCCCC1)c2ccc3nc(sc3c2)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F21 compound treatment 0.447 0.0158 0.75 0.441 0.00703 0.42 0.8324 0.9628 3120218 ChemDiv3_011043 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)N3CCOc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F22 compound treatment 0.44 0.00881 0.42 0.437 0.00303 0.18 0.4261 0.9303 3034029 ChemDiv3_011044 Fc1cccc2sc3c(ncnc3c12)N4CCC(CC4)C(=O)NCc5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F23 mock treatment 0.439 0.00781 0.37 0.447 0.013 0.78 0.8181 0.942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 F24 mock treatment 0.443 0.0118 0.56 0.437 0.00303 0.18 0.5272 0.8907 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G01 compound treatment 0.424 -0.00719 -0.34 0.434 3.12E-5 0.0 -0.2409 -0.7032 3120219 ChemDiv3_011045 CCOc1ccccc1NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2CCOC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G02 compound treatment 0.448 0.0168 0.8 0.439 0.00503 0.3 0.7809 0.9114 3034063 ChemDiv3_011046 Cc1ccc2n(ncc2c1)C(=O)CCCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G03 compound treatment 0.429 -0.00219 -0.1 0.424 -0.00997 -0.6 -0.4982 -0.8177 3034065 ChemDiv3_011047 CCc1ccc2ncc(c(N3CCCC3)c2c1)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G04 compound treatment 0.446 0.0148 0.71 0.448 0.014 0.84 1.0967 0.996 3034066 ChemDiv3_011048 O=C(N1CCN(CC1)c2ccccc2)c3ccc4Sc5ccccc5C(=O)Nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G05 compound treatment 0.439 0.00781 0.37 0.433 -9.69E-4 -0.06 0.2221 0.5892 3034067 ChemDiv3_011049 CCCNC(=O)c1cc2CS(=O)(=O)Cc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G06 compound treatment 0.514 0.0828 3.95 0.512 0.078 4.7 6.1136 0.9963 3034069 ChemDiv3_011050 Cc1cc(C)cc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G07 compound treatment 0.445 0.0138 0.66 0.437 0.00303 0.18 0.5946 0.8703 3034070 ChemDiv3_011051 COC(=O)c1cc2sccc2n1Cc3cc(=O)n4ccccc4n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G08 compound treatment 0.449 0.0178 0.85 0.447 0.013 0.78 1.1552 0.9992 3034072 ChemDiv3_011052 CCOC(=O)N1CCN(CC1)C(=O)Cn2ncc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G09 compound treatment 0.491 0.0598 2.85 0.469 0.035 2.11 3.5076 0.989 3120220 ChemDiv3_011053 CCc1cccc(NC(=O)Cn2c(cc3ccsc23)C(=O)OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G10 compound treatment 0.462 0.0308 1.47 0.454 0.02 1.21 1.8914 0.9952 3034073 ChemDiv3_011054 CCOC(=O)c1sc(N(Cc2nc(oc2C)c3cccc(C)c3)C(=O)C)c(C#N)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G11 compound treatment 0.43 -0.00119 -0.06 0.435 0.00103 0.06 0.0039 0.0461 3120221 ChemDiv3_011055 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G12 compound treatment 0.463 0.0318 1.52 0.452 0.018 1.09 1.84 0.9866 3034076 ChemDiv3_011056 CCn1c(cc2oc(C)cc12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G13 compound treatment 0.434 0.00281 0.13 0.444 0.01 0.6 0.5219 0.8435 3120222 ChemDiv3_011057 CCn1c(cc2occc12)C(=O)N3CCC(CC3)C(=O)NCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G14 compound treatment 0.447 0.0158 0.75 0.444 0.01 0.6 0.9601 0.994 3034078 ChemDiv3_011058 COC(=O)c1cc2oc3ccccc3c2n1CC(=O)N(C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G15 compound treatment 0.492 0.0608 2.9 0.487 0.053 3.19 4.3076 0.9988 3120223 ChemDiv3_011059 CCOc1ccc2nc(sc2c1)N3CCCC(C3)C(=O)Nc4ccc(C)cc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G16 compound treatment 0.454 0.0228 1.09 0.459 0.025 1.51 1.8347 0.9872 3034080 ChemDiv3_011060 COC(=O)c1cc2oc(C)cc2n1CC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G17 compound treatment 0.443 0.0118 0.56 0.44 0.00603 0.36 0.655 0.9775 3120224 ChemDiv3_011061 CC(C)N(Cc1ccccc1)C(=O)C2=CCN(CC2)S(=O)(=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G18 compound treatment 0.451 0.0198 0.94 0.441 0.00703 0.42 0.9672 0.9345 3034082 ChemDiv3_011062 Cc1c(oc2CCCC(=O)c12)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G19 compound treatment 0.428 -0.00319 -0.15 0.434 3.12E-5 0.0 -0.1061 -0.6983 3120225 ChemDiv3_011063 CCCN(CCC)C(=O)Cn1nc(CC)n2c3cc(C)sc3cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G20 compound treatment 0.447 0.0158 0.75 0.428 -0.00597 -0.36 0.2789 0.334 3120226 ChemDiv3_011064 CCCNC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G21 compound treatment 0.472 0.0408 1.95 0.46 0.026 1.57 2.484 0.9943 3034084 ChemDiv3_011065 CCc1cc2c(cc3c(=O)n(CC(=O)NC(C)c4ccc5OCCOc5c4)nc(CC)n23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G22 compound treatment 0.433 0.00181 0.09 0.431 -0.00297 -0.18 -0.0653 -0.3289 3120227 ChemDiv3_011066 O=C(CCCn1ncn2c3ccoc3cc2c1=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G23 mock treatment 0.426 -0.00519 -0.25 0.425 -0.00897 -0.54 -0.5567 -0.9373 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 G24 mock treatment 0.432 8.12E-4 0.04 0.428 -0.00597 -0.36 -0.2267 -0.6273 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H01 compound treatment 0.494 0.0628 2.99 0.483 0.049 2.95 4.2048 1.0 3120395 ChemDiv3_011067 O=C(Cn1c(cc2ccccc12)c3cccs3)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H02 compound treatment 0.433 0.00181 0.09 0.429 -0.00497 -0.3 -0.1504 -0.4831 3034086 ChemDiv3_011068 Cn1cnc2n(ncc2c1=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H03 compound treatment 0.436 0.00481 0.23 0.434 3.12E-5 0.0 0.1635 0.7129 3034088 ChemDiv3_011069 COC(=O)c1cc(n[nH]1)C2CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H04 compound treatment 0.429 -0.00219 -0.1 0.425 -0.00897 -0.54 -0.4556 -0.8283 3120396 ChemDiv3_011070 CC(C)(C)n1ncc2c(=O)n(Cc3cccc(c3)C(F)(F)F)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H05 compound treatment 0.477 0.0458 2.18 0.469 0.035 2.11 3.0357 0.9998 3120397 ChemDiv3_011071 COC(=O)c1cc2c(nn(c3ccccc3)c2n1Cc4cccc(C)c4)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H06 compound treatment 0.461 0.0298 1.42 0.45 0.016 0.97 1.6874 0.9822 3034134 ChemDiv3_011072 O=C(Nc1ccc2nc3CCCCn3c(=O)c2c1)/C=C/c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H07 compound treatment 0.492 0.0608 2.9 0.482 0.048 2.89 4.0948 1.0 3034135 ChemDiv3_011073 Cc1ccc(c2cn3c(n2)sc4cc(ccc43)C(=O)O)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H08 compound treatment 0.437 0.00581 0.28 0.434 3.12E-5 0.0 0.1973 0.7119 3034136 ChemDiv3_011074 CCCCN(C)c1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H09 compound treatment 0.432 8.12E-4 0.04 0.433 -9.69E-4 -0.06 -0.0139 -0.1979 3034138 ChemDiv3_011075 OC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H10 compound treatment 0.437 0.00581 0.28 0.432 -0.00197 -0.12 0.1121 0.372 3034139 ChemDiv3_011076 CCS(=O)(=O)c1nc(c(s1)N2CCCC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H11 compound treatment 0.534 0.103 4.9 0.524 0.09 5.42 7.2986 0.9987 3034141 ChemDiv3_011077 O=C(NCc1ccccc1)c2ccc(cc2)n3c(cc4CCCCc43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H12 compound treatment 0.439 0.00781 0.37 0.427 -0.00697 -0.42 -0.0334 -0.0594 3034143 ChemDiv3_011078 CCN(C(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)c4cc(Cl)ccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H13 compound treatment 0.51 0.0788 3.76 0.504 0.07 4.22 5.6381 0.9983 3120398 ChemDiv3_011079 O=C(NCCc1ccccc1)Nc2ccc3Sc4ccccc4C(=O)N(Cc5ccccc5)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H14 compound treatment 0.621 0.19 9.05 0.557 0.123 7.41 11.6362 0.9951 3034145 ChemDiv3_011080 COc1ccc(NC(=O)c2cc3CSc4ccccc4-c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H15 compound treatment 0.44 0.00881 0.42 0.436 0.00203 0.12 0.3835 0.8766 3120399 ChemDiv3_011081 CC(CCc1ccccc1)NC(=O)c2n[nH]c3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H16 compound treatment 0.432 8.12E-4 0.04 0.432 -0.00197 -0.12 -0.0564 -0.4525 3120400 ChemDiv3_011082 CCCNC(=O)Cn1cccc1C(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H17 compound treatment 0.489 0.0578 2.76 0.493 0.059 3.55 4.462 0.9921 3034147 ChemDiv3_011083 OC(=O)Cn1ncc2c3ccccc3n(Cc4cccc(Cl)c4)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H18 compound treatment 0.437 0.00581 0.28 0.429 -0.00497 -0.3 -0.0156 -0.0383 3120401 ChemDiv3_011084 CC(NC(=O)Cn1cccc1C(=O)c2ccccc2C)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H19 compound treatment 0.461 0.0298 1.42 0.463 0.029 1.75 2.2409 0.9947 3034149 ChemDiv3_011085 CCC(C(=O)O)n1c2ccccc2c3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H20 compound treatment 0.428 -0.00319 -0.15 0.433 -9.69E-4 -0.06 -0.1487 -0.9135 3120402 ChemDiv3_011086 NC(=O)C1CCN(CC1)C(=O)c2ccc3nc(sc3c2)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H21 compound treatment 0.43 -0.00119 -0.06 0.425 -0.00897 -0.54 -0.4219 -0.777 3034151 ChemDiv3_011087 COC(=O)CCn1c(=O)c2cccn2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H22 compound treatment 0.425 -0.00619 -0.29 0.423 -0.011 -0.66 -0.6756 -0.934 3120403 ChemDiv3_011088 CC1CCCC(C)N1CCCNC(=O)C2CCN(CC2)c3ncnc4c3sc5cccc(F)c54 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H23 mock treatment 0.438 0.00681 0.32 0.431 -0.00297 -0.18 0.1032 0.2785 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 H24 mock treatment 0.426 -0.00519 -0.25 0.431 -0.00297 -0.18 -0.3013 -0.9873 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I01 compound treatment 0.43 -0.00119 -0.06 0.435 0.00103 0.06 0.0039 0.0461 3120404 ChemDiv3_011089 COc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I02 compound treatment 0.442 0.0108 0.52 0.44 0.00603 0.36 0.6212 0.9853 3034154 ChemDiv3_011090 CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N3C(=O)CCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I03 compound treatment 0.474 0.0428 2.04 0.492 0.058 3.49 3.9138 0.9672 3120405 ChemDiv3_011091 CCc1ccc2ncc(c(N3CCCCC3)c2c1)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I04 compound treatment 0.435 0.00381 0.18 0.435 0.00103 0.06 0.1724 0.8977 3034156 ChemDiv3_011092 O=C(NCCCN1CCCCC1)c2ccc3Sc4ccccc4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I05 compound treatment 0.442 0.0108 0.52 0.437 0.00303 0.18 0.4935 0.9026 3120406 ChemDiv3_011093 Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I06 compound treatment 0.45 0.0188 0.9 0.446 0.012 0.72 1.1464 0.9944 3120407 ChemDiv3_011094 CN1C(=O)CSc2ccc(NC(=O)N3CCN(CC3)c4ccccc4)cc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I07 compound treatment 0.514 0.0828 3.95 0.49 0.056 3.37 5.1769 0.9969 3034159 ChemDiv3_011095 COC(=O)c1cc2sccc2n1CC(=O)Nc3cc(OC)cc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I08 compound treatment 0.445 0.0138 0.66 0.45 0.016 0.97 1.1481 0.9826 3034213 ChemDiv3_011096 O=C(Cn1ncc2ccccc12)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I09 compound treatment 0.442 0.0108 0.52 0.446 0.012 0.72 0.8767 0.9861 3034214 ChemDiv3_011097 COC(=O)c1cc2occc2n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I10 compound treatment 0.446 0.0148 0.71 0.445 0.011 0.66 0.9689 0.9995 3034215 ChemDiv3_011098 Cc1cc(c2ccco2)n(CC(=O)O)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I11 compound treatment 0.44 0.00881 0.42 0.437 0.00303 0.18 0.4261 0.9303 3034217 ChemDiv3_011099 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I12 compound treatment 0.448 0.0168 0.8 0.442 0.00803 0.48 0.9086 0.9707 3034218 ChemDiv3_011100 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I13 compound treatment 0.459 0.0278 1.33 0.447 0.013 0.78 1.4923 0.9687 3034219 ChemDiv3_011101 O=C(NCc1ccco1)c2ccc3N4CCCC4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I14 compound treatment 0.444 0.0128 0.61 0.443 0.00903 0.54 0.8164 0.9983 3034220 ChemDiv3_011102 COC(=O)c1cc2occc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I15 compound treatment 0.441 0.00981 0.47 0.432 -0.00197 -0.12 0.2469 0.5117 3034223 ChemDiv3_011103 CCOc1ccc2nc(sc2c1)N3CCCC(C3)C(=O)NC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I16 compound treatment 0.547 0.116 5.52 0.53 0.096 5.78 7.9923 0.9997 3120408 ChemDiv3_011104 CCc1n[nH]c(=S)c2cc3sccc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I17 compound treatment 0.442 0.0108 0.52 0.446 0.012 0.72 0.8767 0.9861 3120409 ChemDiv3_011105 CCC(C(=O)NC1CCCC1)n2nc(CC)n3c4cc(C)oc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I18 compound treatment 0.444 0.0128 0.61 0.448 0.014 0.84 1.0293 0.9873 3034225 ChemDiv3_011106 O=C(NC1CCCC1)C2CCN(CC2)C(=O)c3sccc3n4cccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I19 compound treatment 0.445 0.0138 0.66 0.429 -0.00497 -0.3 0.254 0.3513 3120410 ChemDiv3_011107 CCc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3cc4sc(C)cc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I20 compound treatment 0.442 0.0108 0.52 0.439 0.00503 0.3 0.5787 0.9679 3120411 ChemDiv3_011108 CCCNC(=O)C1CCN(CC1)C(=O)c2sccc2n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I21 compound treatment 0.436 0.00481 0.23 0.436 0.00203 0.12 0.2487 0.9566 3034229 ChemDiv3_011109 CCOC(=O)N1CCC(CC1)NC(=O)CSc2cc(C)nc3c(c(C)nn23)c4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I22 compound treatment 0.437 0.00581 0.28 0.433 -9.69E-4 -0.06 0.1547 0.5463 3120412 ChemDiv3_011110 CCC(C(=O)N1CCCCC1)n2ncn3c4ccoc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I23 mock treatment 0.433 0.00181 0.09 0.434 3.12E-5 0.0 0.0624 0.7223 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 I24 mock treatment 0.429 -0.00219 -0.1 0.443 0.00903 0.54 0.3108 0.5613 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J01 compound treatment 0.434 0.00281 0.13 0.437 0.00303 0.18 0.2239 0.9885 3034232 ChemDiv3_011111 O=C(CCC(=O)N1CCSc2ccccc12)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J02 compound treatment 0.432 8.12E-4 0.04 0.423 -0.011 -0.66 -0.4396 -0.6645 3120413 ChemDiv3_011112 CCCCn1cnc2n(ncc2c1=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J03 compound treatment 0.438 0.00681 0.32 0.44 0.00603 0.36 0.4864 0.9984 3034234 ChemDiv3_011113 COC(=O)CN(C)c1nnc(N)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J04 compound treatment 0.466 0.0348 1.66 0.464 0.03 1.81 2.452 0.9991 3120414 ChemDiv3_011114 CC(C)(C)n1ncc2c(=O)n(Cc3cccc4ccccc34)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J05 compound treatment 0.402 -0.0292 -1.39 0.401 -0.033 -1.99 -2.3875 -0.9849 3120415 ChemDiv3_011115 COc1ccc(Cn2c(SCc3cccc(c3)C(F)(F)F)nc4ccncc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J06 compound treatment 0.444 0.0128 0.61 0.433 -9.69E-4 -0.06 0.3906 0.6367 3034237 ChemDiv3_011116 Fc1cccc(Cl)c1CC(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J07 compound treatment 0.443 0.0118 0.56 0.442 0.00803 0.48 0.7401 0.9971 3120416 ChemDiv3_011117 OC(=O)C1CCCN(C1)S(=O)(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J08 compound treatment 0.434 0.00281 0.13 0.438 0.00403 0.24 0.2664 0.9609 3034239 ChemDiv3_011118 Cc1ccc(cc1)S(=O)(=O)c2nc(sc2N3CCCC3)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J09 compound treatment 0.432 8.12E-4 0.04 0.434 3.12E-5 0.0 0.0287 0.7406 3120417 ChemDiv3_011119 CC1CCc2c(csc2C1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J10 compound treatment 0.43 -0.00119 -0.06 0.426 -0.00797 -0.48 -0.3793 -0.7851 3120418 ChemDiv3_011120 CCS(=O)(=O)c1nc(c(NCCN2CCOCC2)s1)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J11 compound treatment 0.438 0.00681 0.32 0.441 0.00703 0.42 0.529 0.9914 3034241 ChemDiv3_011121 Cc1c(C(=O)NC2CCCCC2)c(C)n3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J12 compound treatment 0.438 0.00681 0.32 0.431 -0.00297 -0.18 0.1032 0.2785 3034304 ChemDiv3_011122 COc1cc(OC)c(cc1Cl)N(C)C(=O)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J13 compound treatment 0.439 0.00781 0.37 0.427 -0.00697 -0.42 -0.0334 -0.0594 3034306 ChemDiv3_011123 Cc1n(Cc2ccc(C)cc2)c(C)c3c(=O)[nH]ncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J14 compound treatment 0.5 0.0688 3.28 0.494 0.06 3.61 4.8753 0.9988 3034307 ChemDiv3_011124 O=C(Nc1ccccc1C#N)c2cc3CSc4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J15 compound treatment 0.443 0.0118 0.56 0.442 0.00803 0.48 0.7401 0.9971 3034308 ChemDiv3_011125 COC(=O)Cn1c(ccc1c2ccco2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J16 compound treatment 0.439 0.00781 0.37 0.427 -0.00697 -0.42 -0.0334 -0.0594 3034310 ChemDiv3_011126 O=C(Cn1cccc1C(=O)c2ccccc2)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J17 compound treatment 0.468 0.0368 1.75 0.478 0.044 2.65 3.1155 0.9799 3034312 ChemDiv3_011127 Fc1ccc(Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J18 compound treatment 0.43 -0.00119 -0.06 0.434 3.12E-5 0.0 -0.0387 -0.6832 3034313 ChemDiv3_011128 CC(C(=O)NCc1ccc(Cl)cc1)n2cccc2C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J19 compound treatment 0.436 0.00481 0.23 0.442 0.00803 0.48 0.5041 0.9419 3034315 ChemDiv3_011129 COC(=O)c1cccc2[nH]ncc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J20 compound treatment 0.435 0.00381 0.18 0.436 0.00203 0.12 0.215 0.9814 3120419 ChemDiv3_011130 O=C(N1CCC2(CC1)OCCO2)c3ccc4nc(sc4c3)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J21 compound treatment 0.491 0.0598 2.85 0.492 0.058 3.49 4.4868 0.9949 3034316 ChemDiv3_011131 Cc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J22 compound treatment 0.436 0.00481 0.23 0.428 -0.00597 -0.36 -0.0919 -0.2155 3120420 ChemDiv3_011132 CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)c3ncnc4c3sc5cccc(F)c54 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J23 mock treatment 0.425 -0.00619 -0.29 0.429 -0.00497 -0.3 -0.4201 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 J24 mock treatment 0.429 -0.00219 -0.1 0.439 0.00503 0.3 0.1405 0.4384 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K01 compound treatment 0.451 0.0198 0.94 0.447 0.013 0.78 1.2226 0.9958 3034318 ChemDiv3_011133 S=c1[nH]c(nc2Oc3ccccc3Cc21)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K02 compound treatment 0.481 0.0498 2.37 0.484 0.05 3.01 3.8091 0.9931 3120421 ChemDiv3_011134 COc1cc2c(N3C(=O)CCC3=O)c4c(=O)oc(C)cn4c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K03 compound treatment 0.443 0.0118 0.56 0.44 0.00603 0.36 0.655 0.9775 3120422 ChemDiv3_011135 COc1ccc2ncc(c(N3CCC(CC3)C(=O)N)c2c1)S(=O)(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K04 compound treatment 0.446 0.0148 0.71 0.441 0.00703 0.42 0.7986 0.9701 3034321 ChemDiv3_011136 COC(CN(C)C(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K05 compound treatment 0.446 0.0148 0.71 0.439 0.00503 0.3 0.7135 0.9286 3120592 ChemDiv3_011137 CC1(C)CC(=O)N(CC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)c4ccccc4S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K06 compound treatment 0.451 0.0198 0.94 0.447 0.013 0.78 1.2226 0.9958 3034323 ChemDiv3_011138 COc1ccc(CNC(=O)Cc2cccs2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K07 compound treatment 0.453 0.0218 1.04 0.434 3.12E-5 0.0 0.7366 0.7084 3120593 ChemDiv3_011139 COC(=O)c1cc2sccc2n1CC(=O)N(C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K08 compound treatment 0.455 0.0238 1.14 0.448 0.014 0.84 1.4 0.9894 3034326 ChemDiv3_011140 O=C(Cn1ncc2ccccc12)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K09 compound treatment 0.442 0.0108 0.52 0.438 0.00403 0.24 0.5361 0.941 3120594 ChemDiv3_011141 CCC(C(=O)N1CCCC1)n2c(cc3sccc23)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K10 compound treatment 0.446 0.0148 0.71 0.444 0.01 0.6 0.9264 0.997 1337626 ChemDiv3_011142 OC(=O)C1CCC2(C1)NC(=O)NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K11 compound treatment 0.441 0.00981 0.47 0.439 0.00503 0.3 0.545 0.9779 3120595 ChemDiv3_011143 Cn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K12 compound treatment 0.453 0.0218 1.04 0.442 0.00803 0.48 1.0772 0.9393 3034329 ChemDiv3_011144 CCn1c(cc2sccc12)C(=O)N3CCC(CC3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K13 compound treatment 0.511 0.0798 3.8 0.48 0.046 2.77 4.6501 0.9879 3120596 ChemDiv3_011145 O=C(NCCc1ccccc1)c2ccc3N4CCCC4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K14 compound treatment 0.471 0.0398 1.9 0.455 0.021 1.27 2.2374 0.9807 3120597 ChemDiv3_011146 CC(C)Oc1ccc(CNC(=O)Cn2nc(C)n3c4ccoc4cc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K15 compound treatment 0.438 0.00681 0.32 0.438 0.00403 0.24 0.4013 0.9897 3034331 ChemDiv3_011147 CC1CC(C)CN(C1)C(=O)C2CCN(CC2)c3nc4c(C)cc(C)cc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K16 compound treatment 0.46 0.0288 1.37 0.454 0.02 1.21 1.824 0.9979 3120598 ChemDiv3_011148 Cc1sc(c(C#N)c1C)n2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K17 compound treatment 0.459 0.0278 1.33 0.457 0.023 1.39 1.918 0.9997 3120599 ChemDiv3_011149 CC1CCC(CC1)NC(=O)Cn2ncn3c4ccsc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K18 compound treatment 0.453 0.0218 1.04 0.452 0.018 1.09 1.5029 0.9998 3034333 ChemDiv3_011150 CCc1ccc(NC(=O)Nc2cccs2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K19 compound treatment 0.428 -0.00319 -0.15 0.432 -0.00197 -0.12 -0.1913 -0.9925 3033201 ChemDiv3_011151 CCC(C)NC(=O)Cn1ncn2c3cc(C)sc3cc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K20 compound treatment 0.515 0.0838 4.0 0.51 0.076 4.58 6.0621 0.9977 3033202 ChemDiv3_011152 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NCc4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K21 compound treatment 0.441 0.00981 0.47 0.443 0.00903 0.54 0.7153 0.9972 3033204 ChemDiv3_011153 COc1ccccc1c2c(C)nn3c(SCC(=O)NCc4ccc5OCOc5c4)cc(C)nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K22 compound treatment 0.451 0.0198 0.94 0.444 0.01 0.6 1.0949 0.9767 3033206 ChemDiv3_011154 COc1cccc(CNC(=O)Cn2ncn3cccc3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K23 mock treatment 0.43 -0.00119 -0.06 0.433 -9.69E-4 -0.06 -0.0813 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 K24 mock treatment 0.44 0.00881 0.42 0.444 0.01 0.6 0.7241 0.9843 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L01 compound treatment 0.45 0.0188 0.9 0.447 0.013 0.78 1.1889 0.9978 3033207 ChemDiv3_011155 COC(=O)CN1C(=O)CSc2ncccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L02 compound treatment 0.441 0.00981 0.47 0.436 0.00203 0.12 0.4172 0.863 3033209 ChemDiv3_011156 Fc1ccc(cc1)n2ncc3c(=O)n(CC=C)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L03 compound treatment 0.443 0.0118 0.56 0.444 0.01 0.6 0.8252 0.9994 3033211 ChemDiv3_011157 CC1CCC(CC1)NC(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L04 compound treatment 0.443 0.0118 0.56 0.436 0.00203 0.12 0.4847 0.8411 3120600 ChemDiv3_011158 CC(C)(C)n1ncc2c(=O)n(CC(=O)OCc3ccccc3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L05 compound treatment 0.454 0.0228 1.09 0.456 0.022 1.33 1.7069 0.9951 3033213 ChemDiv3_011159 COC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L06 compound treatment 0.452 0.0208 0.99 0.44 0.00603 0.36 0.9583 0.9071 3120601 ChemDiv3_011160 O=C(CC1CCCCC1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L07 compound treatment 0.475 0.0438 2.09 0.473 0.039 2.35 3.1386 0.9983 3120602 ChemDiv3_011161 COc1ccc(cc1)C(=O)Cn2ccnc2C(=O)NCCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L08 compound treatment 0.442 0.0108 0.52 0.441 0.00703 0.42 0.6638 0.9952 3033215 ChemDiv3_011162 CNc1sc(nc1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L09 compound treatment 0.454 0.0228 1.09 0.455 0.021 1.27 1.6644 0.9971 3033217 ChemDiv3_011163 Clc1ccccc1C2SCC3Nc4ccccc4CN23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L10 compound treatment 0.518 0.0868 4.14 0.496 0.062 3.73 5.5672 0.9987 3120603 ChemDiv3_011164 CCS(=O)(=O)c1nc(c(NCc2ccc(OC)cc2)s1)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L11 compound treatment 0.455 0.0238 1.14 0.446 0.012 0.72 1.3149 0.9765 3033219 ChemDiv3_011165 CCn1cc(CCCC(=O)O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L12 compound treatment 0.449 0.0178 0.85 0.445 0.011 0.66 1.0701 0.9926 3120604 ChemDiv3_011166 CN(C(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L13 compound treatment 0.464 0.0328 1.56 0.448 0.014 0.84 1.7034 0.9582 3033220 ChemDiv3_011167 CCOC(=O)c1cc(C)n(c1C)S(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L14 compound treatment 0.449 0.0178 0.85 0.44 0.00603 0.36 0.8572 0.9282 3120605 ChemDiv3_011168 OC(=O)C1C2CC3CC(C2)CC1(C3)n4ncc(N5CCOCC5)c(Cl)c4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L15 compound treatment 0.442 0.0108 0.52 0.443 0.00903 0.54 0.749 0.9996 3120606 ChemDiv3_011169 COC(=O)c1c(C)nn(c1n2c(C)ccc2C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L16 compound treatment 0.455 0.0238 1.14 0.439 0.00503 0.3 1.0169 0.8655 3033223 ChemDiv3_011170 CC(NC(=O)Cn1cccc1C(=O)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L17 compound treatment 0.462 0.0308 1.47 0.457 0.023 1.39 2.0192 0.9996 3120607 ChemDiv3_011171 Cn1c2ccccc2c3cnn(CC(=O)O)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L18 compound treatment 0.438 0.00681 0.32 0.435 0.00103 0.06 0.2735 0.8273 3120608 ChemDiv3_011172 CC(C)NC(=O)C(C)n1cccc1C(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L19 compound treatment 0.503 0.0718 3.42 0.509 0.075 4.52 5.6151 0.9906 3033225 ChemDiv3_011173 OC(=O)CCn1c2ccccc2c3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L20 compound treatment 0.45 0.0188 0.9 0.447 0.013 0.78 1.1889 0.9978 3120609 ChemDiv3_011174 CCc1ccccc1NC(=O)c2ccc3nc(sc3c2)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L21 compound treatment 0.438 0.00681 0.32 0.435 0.00103 0.06 0.2735 0.8273 3033226 ChemDiv3_011175 CCOC(=O)CCCn1c(=O)c2cccn2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L22 compound treatment 0.44 0.00881 0.42 0.441 0.00703 0.42 0.5964 1.0 3120610 ChemDiv3_011176 Fc1cccc2sc3c(ncnc3c12)N4CCCC(C4)C(=O)NCCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L23 mock treatment 0.44 0.00881 0.42 0.44 0.00603 0.36 0.5538 0.9974 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 L24 mock treatment 0.436 0.00481 0.23 0.441 0.00703 0.42 0.4616 0.9586 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M01 compound treatment 0.448 0.0168 0.8 0.441 0.00703 0.42 0.8661 0.9555 3033228 ChemDiv3_011177 CC1(C)CC(=O)c2sc3nc(cn3c2C1)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M02 compound treatment 0.503 0.0718 3.42 0.491 0.057 3.43 4.8487 1.0 3120611 ChemDiv3_011178 Cc1cc(NC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)ccc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M03 compound treatment 0.456 0.0248 1.18 0.458 0.024 1.45 1.8595 0.995 3033287 ChemDiv3_011179 CCN(CC)c1c(cnc2ccccc12)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M04 compound treatment 0.449 0.0178 0.85 0.447 0.013 0.78 1.1552 0.9992 3033289 ChemDiv3_011180 CC(C)CN(CC(C)C)c1nnc(NC(=O)c2csc3CCCCc23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M05 compound treatment 0.442 0.0108 0.52 0.443 0.00903 0.54 0.749 0.9996 3033290 ChemDiv3_011181 Fc1cccc(Cn2c(nc3ccccc23)N4CCC(CC4)C(=O)NCc5ccco5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M06 compound treatment 0.487 0.0558 2.66 0.475 0.041 2.47 3.6282 0.9993 3033292 ChemDiv3_011182 Cc1ccccc1CNC(=O)Cn2ncc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M07 compound treatment 0.436 0.00481 0.23 0.434 3.12E-5 0.0 0.1635 0.7129 3033293 ChemDiv3_011183 CCC1CCCCN1C(=O)Cn2c(cc3sc(Cl)cc23)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M08 compound treatment 0.475 0.0438 2.09 0.479 0.045 2.71 3.394 0.9917 3033294 ChemDiv3_011184 CCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M09 compound treatment 0.441 0.00981 0.47 0.437 0.00303 0.18 0.4598 0.9158 3120612 ChemDiv3_011185 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M10 compound treatment 0.472 0.0408 1.95 0.474 0.04 2.41 3.08 0.9944 3033296 ChemDiv3_011186 OC(=O)c1ccc(cc1)n2c(cc3CCCCc32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M11 compound treatment 0.463 0.0318 1.52 0.471 0.037 2.23 2.6489 0.9824 3120613 ChemDiv3_011187 Cc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3cc4sccc4n3Cc5ccc(F)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M12 compound treatment 0.444 0.0128 0.61 0.444 0.01 0.6 0.859 1.0 3033299 ChemDiv3_011188 CCn1c(cc2sc(Cl)cc12)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M13 compound treatment 0.449 0.0178 0.85 0.438 0.00403 0.24 0.772 0.8742 3120614 ChemDiv3_011189 CC1CCCCC1NC(=O)c2ccc3N4CCCC4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M14 compound treatment 0.444 0.0128 0.61 0.449 0.015 0.91 1.0718 0.9817 3033301 ChemDiv3_011190 CCc1n[nH]c(=O)c2cc3oc(C)cc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M15 compound treatment 0.453 0.0218 1.04 0.455 0.021 1.27 1.6306 0.9952 3120615 ChemDiv3_011191 CCCNC(=O)C1CCCN(C1)c2nc3c(C)cc(C)cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M16 compound treatment 0.48 0.0488 2.33 0.488 0.054 3.25 3.9457 0.9865 3033303 ChemDiv3_011192 Clc1ccc(CNC(=O)Cn2ncn3c(cc4ccccc43)c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M17 compound treatment 0.483 0.0518 2.47 0.48 0.046 2.77 3.7062 0.9983 3120616 ChemDiv3_011193 CCC(C(=O)NC1CCCc2ccccc12)n3nc(C)n4c5ccsc5cc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M18 compound treatment 0.464 0.0328 1.56 0.45 0.016 0.97 1.7886 0.9731 3033305 ChemDiv3_011194 CC1CCCC(NC(=O)Nc2cccs2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M19 compound treatment 0.435 0.00381 0.18 0.436 0.00203 0.12 0.215 0.9814 3120617 ChemDiv3_011195 Cc1cc2c(cc3c(=O)n(CC(=O)NCCN4CCOCC4)ncn23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M20 compound treatment 0.497 0.0658 3.14 0.48 0.046 2.77 4.1782 0.9981 3120618 ChemDiv3_011196 Cc1cc(C)cc(NC(=O)CSCc2cnn(c2n3cccc3)c4ccccc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M21 compound treatment 0.432 8.12E-4 0.04 0.427 -0.00697 -0.42 -0.2693 -0.6391 3033306 ChemDiv3_011197 COC(=O)c1c(sc2CCCCc12)N3C(=O)CCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M22 compound treatment 0.444 0.0128 0.61 0.442 0.00803 0.48 0.7738 0.9933 3033307 ChemDiv3_011198 O=C(Cn1ncn2cccc2c1=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M23 mock treatment 0.431 -1.88E-4 -0.01 0.432 -0.00197 -0.12 -0.0901 -0.7583 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 M24 mock treatment 0.43 -0.00119 -0.06 0.444 0.01 0.6 0.387 0.638 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N01 compound treatment 0.465 0.0338 1.61 0.467 0.033 1.99 2.546 0.9946 3120619 ChemDiv3_011199 COc1ccc(cc1)C2=NN(CC(=O)Nc3cc(C)ccc3C)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N02 compound treatment 0.434 0.00281 0.13 0.433 -9.69E-4 -0.06 0.0536 0.3663 3033310 ChemDiv3_011200 CCOC(=O)C(C)n1cnc2n(ncc2c1=O)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N03 compound treatment 0.443 0.0118 0.56 0.449 0.015 0.91 1.0381 0.9739 1722020 ChemDiv3_011201 CCOC(=O)C1CCCN(C1)C(=S)Nc2ccc(OCC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N04 compound treatment 0.434 0.00281 0.13 0.431 -0.00297 -0.18 -0.0316 -0.1414 3120782 ChemDiv3_011202 CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccccc3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N05 compound treatment 0.502 0.0708 3.38 0.503 0.069 4.16 5.3259 0.9947 3033313 ChemDiv3_011203 COc1cccc(CNC(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N06 compound treatment 0.431 -1.88E-4 -0.01 0.426 -0.00797 -0.48 -0.3456 -0.7202 3120783 ChemDiv3_011204 O=C(CCC1CCCC1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N07 compound treatment 0.444 0.0128 0.61 0.433 -9.69E-4 -0.06 0.3906 0.6367 3033315 ChemDiv3_011205 CN(C1CCCCC1)S(=O)(=O)N2CCCC(C2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N08 compound treatment 0.496 0.0648 3.09 0.477 0.043 2.59 4.0167 0.9962 3120784 ChemDiv3_011206 CN(Cc1ccccc1)c2sc(nc2S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N09 compound treatment 0.445 0.0138 0.66 0.432 -0.00197 -0.12 0.3818 0.5706 3033368 ChemDiv3_011207 CCOC(=O)C(C)n1ncn2cccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N10 compound treatment 0.441 0.00981 0.47 0.434 3.12E-5 0.0 0.3321 0.7099 3033370 ChemDiv3_011208 COc1ccc(cc1)c2noc(n2)N(C)CC(=O)Nc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N11 compound treatment 0.437 0.00581 0.28 0.436 0.00203 0.12 0.2824 0.9324 3033372 ChemDiv3_011209 COc1cc(N)c(C#N)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N12 compound treatment 0.434 0.00281 0.13 0.437 0.00303 0.18 0.2239 0.9885 3033374 ChemDiv3_011210 CC(C)CCNC(=O)c1ccc2c(=O)n3CCCCCc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N13 compound treatment 0.449 0.0178 0.85 0.446 0.012 0.72 1.1126 0.9969 3033375 ChemDiv3_011211 Cc1cc(C(=O)O)c(C)n1S(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N14 compound treatment 0.446 0.0148 0.71 0.446 0.012 0.72 1.0115 0.9999 3033377 ChemDiv3_011212 C1CC1Nc2nc3ccccc3n4nnnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N15 compound treatment 0.451 0.0198 0.94 0.442 0.00803 0.48 1.0098 0.9517 3033378 ChemDiv3_011213 Cc1nn(CCCC(=O)O)c(=O)c2c3ccccc3sc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N16 compound treatment 0.44 0.00881 0.42 0.435 0.00103 0.06 0.341 0.8029 3033380 ChemDiv3_011214 CC1CCCCN1CCCNC(=O)Cn2cccc2C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N17 compound treatment 0.452 0.0208 0.99 0.456 0.022 1.33 1.6395 0.9898 3120785 ChemDiv3_011215 CCN1CCC(=CC1)c2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N18 compound treatment 0.432 8.12E-4 0.04 0.432 -0.00197 -0.12 -0.0564 -0.4525 3120786 ChemDiv3_011216 COc1ccccc1CNC(=O)C(C)n2cccc2C(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N19 compound treatment 0.444 0.0128 0.61 0.443 0.00903 0.54 0.8164 0.9983 3033383 ChemDiv3_011217 CC(C(=O)O)n1c2ccccc2c3cnn(C)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N20 compound treatment 0.446 0.0148 0.71 0.443 0.00903 0.54 0.8838 0.9917 3120787 ChemDiv3_011218 CC1CCN(CC1)c2nc3ccc(cc3s2)C(=O)Nc4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N21 compound treatment 0.457 0.0258 1.23 0.471 0.037 2.23 2.4467 0.9607 3033385 ChemDiv3_011219 O=c1n(C/C=C/c2ccccc2)cnc3n(ncc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N22 compound treatment 0.427 -0.00419 -0.2 0.424 -0.00997 -0.6 -0.5656 -0.8941 3120788 ChemDiv3_011220 CC(NCc1ccc(s1)C(=O)O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N23 mock treatment 0.433 0.00181 0.09 0.439 0.00503 0.3 0.2753 0.8739 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 N24 mock treatment 0.427 -0.00419 -0.2 0.437 0.00303 0.18 -0.0121 -0.0447 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O01 compound treatment 0.426 -0.00519 -0.25 0.448 0.014 0.84 0.4225 0.48 3120789 ChemDiv3_011221 Cc1ccc(cc1)C(=O)c2cnc3ccccc3c2N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O02 compound treatment 0.454 0.0228 1.09 0.452 0.018 1.09 1.5366 1.0 3033387 ChemDiv3_011222 CCOC(=O)C1CCCN(C1)C(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O03 compound treatment 0.522 0.0908 4.33 0.512 0.078 4.7 6.3832 0.9992 3120790 ChemDiv3_011223 COc1ccc(cc1)N2CCN(CC2)c3c(cnc4ccc(Cl)cc34)S(=O)(=O)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O04 compound treatment 0.487 0.0558 2.66 0.482 0.048 2.89 3.9262 0.9991 3120791 ChemDiv3_011224 CCOc1ccc(CCNC(=O)c2c(C)c(C)sc2n3cccc3)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O05 compound treatment 0.437 0.00581 0.28 0.439 0.00503 0.3 0.4101 0.999 3033389 ChemDiv3_011225 COC(=O)c1cc2occc2n1CC(=O)N(C)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O06 compound treatment 0.45 0.0188 0.9 0.44 0.00603 0.36 0.8909 0.9208 3120792 ChemDiv3_011226 O=C(Cn1ncc2ccccc12)N3CCC(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O07 compound treatment 0.439 0.00781 0.37 0.433 -9.69E-4 -0.06 0.2221 0.5892 3033391 ChemDiv3_011227 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O08 compound treatment 0.449 0.0178 0.85 0.452 0.018 1.09 1.3681 0.9926 3120793 ChemDiv3_011228 Brc1ccc(NC(=O)Cn2ncc3ccccc23)nc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O09 compound treatment 0.456 0.0248 1.18 0.433 -9.69E-4 -0.06 0.7951 0.6714 3120794 ChemDiv3_011229 CCn1c(cc2sccc12)C(=O)N3CCCC(C3)C(=O)NCCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O10 compound treatment 0.458 0.0268 1.28 0.451 0.017 1.03 1.6289 0.994 3033393 ChemDiv3_011230 O=C1Nc2ncccc2OC1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O11 compound treatment 0.484 0.0528 2.52 0.486 0.052 3.13 3.9954 0.9941 3120795 ChemDiv3_011231 CC(NC(=O)C1CCN(CC1)C(=O)c2cc3sccc3n2Cc4ccc(F)cc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O12 compound treatment 0.44 0.00881 0.42 0.447 0.013 0.78 0.8519 0.9571 3033395 ChemDiv3_011232 COC(=O)c1cc2oc3ccccc3c2n1Cc4nc(oc4C)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O13 compound treatment 0.419 -0.0122 -0.58 0.402 -0.032 -1.92 -1.7719 -0.8813 3120796 ChemDiv3_011233 Clc1ccc(CNC(=O)c2ccc(CSc3nc4cnccc4[nH]3)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O14 compound treatment 0.45 0.0188 0.9 0.443 0.00903 0.54 1.0186 0.9713 3033397 ChemDiv3_011234 CCc1cc2[nH]c(cc2s1)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O15 compound treatment 0.454 0.0228 1.09 0.45 0.016 0.97 1.4515 0.9982 3120797 ChemDiv3_011235 Cc1cc(C)c2nc(sc2c1)N3CCCC(C3)C(=O)NC4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O16 compound treatment 0.451 0.0198 0.94 0.431 -0.00297 -0.18 0.5414 0.5633 3033453 ChemDiv3_011236 CC1CCN(CC1)c2nnc(NC(=O)c3cc(on3)c4ccc(Br)cc4)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O17 compound treatment 0.441 0.00981 0.47 0.443 0.00903 0.54 0.7153 0.9972 3033454 ChemDiv3_011237 CCC(C(=O)NC1CCCC(C)C1C)n2nc(C)n3c4ccsc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O18 compound treatment 0.474 0.0428 2.04 0.48 0.046 2.77 3.4029 0.9887 3033456 ChemDiv3_011238 Cc1ccc(NC(=O)Nc2cccs2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O19 compound treatment 0.429 -0.00219 -0.1 0.431 -0.00297 -0.18 -0.2001 -0.9671 3033458 ChemDiv3_011239 CC1CC(C)CN(CCCNC(=O)Cn2ncn3c4cc(C)sc4cc3c2=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O20 compound treatment 0.535 0.104 4.95 0.523 0.089 5.36 7.2898 0.9992 3033460 ChemDiv3_011240 COc1cccc(NCc2cn(nc2c3cccs3)c4ccccc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O21 compound treatment 0.431 -1.88E-4 -0.01 0.439 0.00503 0.3 0.2079 0.6859 3033461 ChemDiv3_011241 COC(=O)c1c(C)c(C)sc1n2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O22 compound treatment 0.438 0.00681 0.32 0.434 3.12E-5 0.0 0.231 0.7112 3120798 ChemDiv3_011242 Cc1ccccc1CNC(=O)c2c(C)nc3ccccn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O23 mock treatment 0.43 -0.00119 -0.06 0.438 0.00403 0.24 0.1316 0.528 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 O24 mock treatment 0.441 0.00981 0.47 0.447 0.013 0.78 0.8856 0.9695 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P01 compound treatment 0.442 0.0108 0.52 0.455 0.021 1.27 1.2599 0.9215 3033463 ChemDiv3_011243 FC(F)(F)c1cccc(NC(=O)CCN2N=C(CCC2=O)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P02 compound treatment 0.48 0.0488 2.33 0.476 0.042 2.53 3.4348 0.9991 3120799 ChemDiv3_011244 Cc1ccc(cc1C)n2ncc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P03 compound treatment 0.437 0.00581 0.28 0.433 -9.69E-4 -0.06 0.1547 0.5463 3033465 ChemDiv3_011245 COC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P04 compound treatment 0.441 0.00981 0.47 0.435 0.00103 0.06 0.3747 0.794 3120800 ChemDiv3_011246 COc1ccc(Cl)cc1C(=O)Nc2ccc3nc4CCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P05 compound treatment 0.455 0.0238 1.14 0.453 0.019 1.15 1.6129 1.0 3120801 ChemDiv3_011247 Cn1c(SCc2ccc(F)cc2)nc3ccc(cc13)C(=O)NCCc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P06 compound treatment 0.431 -1.88E-4 -0.01 0.441 0.00703 0.42 0.293 0.692 3033468 ChemDiv3_011248 C/C(=C/c1ccccc1)/C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P07 compound treatment 0.475 0.0438 2.09 0.461 0.027 1.63 2.6277 0.9924 3120802 ChemDiv3_011249 Cc1cc(c2ccco2)n(CC(=O)NCc3ccccc3Cl)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P08 compound treatment 0.442 0.0108 0.52 0.438 0.00403 0.24 0.5361 0.941 3033470 ChemDiv3_011250 CCN1CCN(CC1)c2sc(nc2S(=O)(=O)c3ccc(Cl)cc3)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P09 compound treatment 0.444 0.0128 0.61 0.457 0.023 1.39 1.4124 0.9321 3120803 ChemDiv3_011251 CCOC(=O)c1oc2CC(C)(C)CC(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P10 compound treatment 0.434 0.00281 0.13 0.437 0.00303 0.18 0.2239 0.9885 3120804 ChemDiv3_011252 O=C(N1CCCC1)c2ccc3c(=O)n4CCCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P11 compound treatment 0.439 0.00781 0.37 0.44 0.00603 0.36 0.5201 0.9999 3033472 ChemDiv3_011253 Cc1ccc2OCC(=O)N(CCCC(=O)N3CCCCC3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P12 compound treatment 0.448 0.0168 0.8 0.438 0.00403 0.24 0.7383 0.8817 3120805 ChemDiv3_011254 CCOc1ccc(CCNC(=O)c2ccc3c(=O)n4CCCCCc4nc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P13 compound treatment 0.442 0.0108 0.52 0.454 0.02 1.21 1.2173 0.9281 3033474 ChemDiv3_011255 Cc1n(Cc2ccccc2F)c(C)c3c(=O)n(CC(=O)O)ncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P14 compound treatment 0.438 0.00681 0.32 0.437 0.00303 0.18 0.3587 0.9629 3120806 ChemDiv3_011256 Cc1nc2ccc(cc2s1)S(=O)(=O)NC(C(=O)Nc3ccccc3C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P15 compound treatment 0.451 0.0198 0.94 0.444 0.01 0.6 1.0949 0.9767 3120807 ChemDiv3_011257 CCN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)c3ccc4n(C5CCCC5)c(C)nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P16 compound treatment 0.436 0.00481 0.23 0.436 0.00203 0.12 0.2487 0.9566 3033476 ChemDiv3_011258 CN1CCN(CCNC(=O)Cn2cccc2C(=O)c3ccccc3)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P17 compound treatment 0.452 0.0208 0.99 0.457 0.023 1.39 1.6821 0.9865 1041646 ChemDiv3_011259 Cn1c(cc2ccccc12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P18 compound treatment 0.444 0.0128 0.61 0.43 -0.00397 -0.24 0.2629 0.4009 3120808 ChemDiv3_011260 O=C(NCc1ccccn1)c2ccc3nc(sc3c2)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P19 compound treatment 0.46 0.0288 1.37 0.465 0.031 1.87 2.2923 0.9885 3033479 ChemDiv3_011261 CC1CN(C(=O)n2ccnc2)c3cc(C)ccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P20 compound treatment 0.439 0.00781 0.37 0.437 0.00303 0.18 0.3924 0.9461 3120989 ChemDiv3_011262 Cc1cccc(N2CCN(CCNC(=O)c3ccc4nc(sc4c3)N5CCOCC5)CC2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P21 compound treatment 0.442 0.0108 0.52 0.445 0.011 0.66 0.8341 0.9921 3120990 ChemDiv3_011263 CC1CCN(CC1)C(=O)Cn2cnc3n(ncc3c2=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P22 compound treatment 0.434 0.00281 0.13 0.43 -0.00397 -0.24 -0.0742 -0.2707 3033490 ChemDiv3_011264 OC(=O)c1ccc(CNCCc2ccccc2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P23 mock treatment 0.439 0.00781 0.37 0.441 0.00703 0.42 0.5627 0.998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2032 P24 mock treatment 0.425 -0.00619 -0.29 0.437 0.00303 0.18 -0.0795 -0.2292 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A01 compound treatment 0.426 -0.00556 -0.27 0.438 -0.00381 -0.23 -0.3496 -0.9974 3033492 ChemDiv3_011265 CC(CCc1ccccc1)NCc2ccc(s2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A02 compound treatment 0.445 0.0134 0.64 0.453 0.0112 0.67 0.9295 0.9997 3033494 ChemDiv3_011266 CC(C)NC(=O)C(C)n1c2ccccc2c3cnn(C)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A03 compound treatment 0.419 -0.0126 -0.6 0.451 0.00919 0.55 -0.032 -0.0393 1135416 ChemDiv3_011267 CN1C(=O)CC(c2ccccc2)S(=O)(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A04 compound treatment 0.417 -0.0146 -0.69 0.439 -0.00281 -0.17 -0.6104 -0.8543 3033498 ChemDiv3_011268 CCc1cccc(NC(=O)C2CCN(CC2)c3nn4c(=O)cc(C)nc4s3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A05 compound treatment 0.421 -0.0106 -0.5 0.41 -0.0318 -1.92 -1.7102 -0.8637 3034261 ChemDiv3_011269 Cc1cccc(CSc2nc3ccncc3n2CC(=O)N4CCCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A06 compound treatment 0.426 -0.00556 -0.27 0.439 -0.00281 -0.17 -0.307 -0.9763 3120991 ChemDiv3_011270 CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c3cccc(C)c3C)c(=O)c4cc5occc5n14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A07 compound treatment 0.417 -0.0146 -0.69 0.432 -0.00981 -0.59 -0.9084 -0.9968 3034263 ChemDiv3_011271 Cc1ccc(Cn2c(SCc3cccc(c3)C(F)(F)F)nc4ccncc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A08 compound treatment 0.435 0.00344 0.16 0.442 1.94E-4 0.01 0.1241 0.7555 3120992 ChemDiv3_011272 CCc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c3cc4cc(C)ccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A09 compound treatment 0.42 -0.0116 -0.55 0.423 -0.0188 -1.13 -1.1904 -0.9453 3120993 ChemDiv3_011273 COc1cccc(Cn2c(SCc3ccc(cc3)C(=O)NC4CCCC4)nc5ccncc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A10 compound treatment 0.481 0.0494 2.36 0.478 0.0362 2.18 3.2074 0.9992 3034269 ChemDiv3_011274 CCn1c(cc2oc3ccccc3c12)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A11 compound treatment 0.433 0.00144 0.07 0.438 -0.00381 -0.23 -0.1136 -0.4749 3120994 ChemDiv3_011275 Cn1c2ccccc2c3cnn(CC(=O)NCc4ccc5OCOc5c4)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A12 compound treatment 0.442 0.0104 0.5 0.452 0.0102 0.61 0.7858 0.9946 3120995 ChemDiv3_011276 CC(NC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O)c4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A13 compound treatment 0.475 0.0434 2.07 0.478 0.0362 2.18 3.0051 0.9997 3034274 ChemDiv3_011277 CNC(=O)Cn1ncc2c3ccccc3n(Cc4cc(C)ccc4C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A14 compound treatment 0.436 0.00444 0.21 0.44 -0.00181 -0.11 0.0727 0.3055 3034277 ChemDiv3_011278 Nc1nc(CNC(=O)c2ccccc2)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A15 compound treatment 0.431 -5.63E-4 -0.03 0.443 0.00119 0.07 0.0319 0.4153 3120996 ChemDiv3_011279 CC1CCc2nn(CC(=O)N3CCCC3)cc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A16 compound treatment 0.444 0.0124 0.59 0.45 0.00819 0.49 0.7681 0.9958 3033160 ChemDiv3_011280 c1csc(c1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A17 compound treatment 0.43 -0.00156 -0.07 0.44 -0.00181 -0.11 -0.1296 -0.9829 3120997 ChemDiv3_011281 O=C(N1CCC2(CC1)OCCO2)c3cnn(c3n4cccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A18 compound treatment 0.433 0.00144 0.07 0.437 -0.00481 -0.29 -0.1562 -0.5252 3033163 ChemDiv3_011282 CN(CCC#N)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A19 compound treatment 0.439 0.00744 0.35 0.437 -0.00481 -0.29 0.0461 0.1007 3120998 ChemDiv3_011283 Cc1nn(c(c1C(=O)N2CCCC2)n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A20 compound treatment 0.441 0.00944 0.45 0.47 0.0282 1.7 1.5184 0.8647 3120999 ChemDiv3_011284 CCN(CC)C(=O)CSc1ncnc2n(Cc3ccc(F)cc3)nnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A21 compound treatment 0.466 0.0344 1.64 0.46 0.0182 1.1 1.9354 0.9807 3033170 ChemDiv3_011285 Clc1ccc(CCNC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A22 compound treatment 0.444 0.0124 0.59 0.442 1.94E-4 0.01 0.4275 0.7209 3121000 ChemDiv3_011286 COc1ccc(cc1)n2nnc3c(SCC(=O)Nc4cccc(c4)C(F)(F)F)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A23 mock treatment 0.427 -0.00456 -0.22 0.434 -0.00781 -0.47 -0.4861 -0.9387 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 A24 mock treatment 0.423 -0.00856 -0.41 0.415 -0.0268 -1.61 -1.4299 -0.8589 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B01 compound treatment 0.453 0.0214 1.02 0.45 0.00819 0.49 1.0714 0.9442 3033174 ChemDiv3_011287 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)NC4CCCC4)c(C)nc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B02 compound treatment 0.441 0.00944 0.45 0.457 0.0152 0.91 0.965 0.9466 3121001 ChemDiv3_011288 CN(CCCn1cnc2c3ccccc3[nH]c2c1=O)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B03 compound treatment 0.448 0.0164 0.78 0.457 0.0152 0.91 1.2009 0.997 3121002 ChemDiv3_011289 CCC(C)NC(=O)CC(c1ccc(OC)cc1)n2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B04 compound treatment 0.443 0.0114 0.55 0.46 0.0182 1.1 1.1601 0.9481 3033180 ChemDiv3_011290 CCn1cc(/C=C(\NC(=O)c2ccccc2)/C(=O)N3CCCC3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B05 compound treatment 0.487 0.0554 2.64 0.5 0.0582 3.5 4.3462 0.9903 3121003 ChemDiv3_011291 CCc1ccc(cc1)c2nc(C(=O)N)c3[nH]c(=O)n(c4ccccc4)c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B06 compound treatment 0.438 0.00644 0.31 0.455 0.0132 0.79 0.7787 0.9144 3121004 ChemDiv3_011292 Cc1ccc2n(CC(=O)OCc3ccccc3)c4nc5ccccc5nc4c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B07 compound treatment 0.441 0.00944 0.45 0.451 0.00919 0.55 0.7095 0.9947 3033248 ChemDiv3_011293 CCS(=O)(=O)NCCc1csc(C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B08 compound treatment 0.458 0.0264 1.26 0.457 0.0152 0.91 1.538 0.9876 3121005 ChemDiv3_011294 CCCCn1c(CCNC(=O)C(C)C)nc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B09 compound treatment 0.457 0.0254 1.21 0.458 0.0162 0.98 1.5469 0.9942 3121006 ChemDiv3_011295 OC(=O)C1CC=CCC1C(=O)NCCc2csc(n2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B10 compound treatment 0.476 0.0444 2.12 0.46 0.0182 1.1 2.2725 0.9529 3033253 ChemDiv3_011296 C(Cn1c(nc2ccccc12)c3ccco3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B11 compound treatment 0.434 0.00244 0.12 0.451 0.00919 0.55 0.4736 0.8373 3121007 ChemDiv3_011297 O=C(CC1CCCCC1)NCc2cn3ccsc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B12 compound treatment 0.446 0.0144 0.69 0.452 0.0102 0.61 0.9206 0.9984 3033257 ChemDiv3_011298 Cc1cccc(c1)c2nc3ccccc3n2CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B13 compound treatment 0.443 0.0114 0.55 0.457 0.0152 0.91 1.0324 0.9694 3121008 ChemDiv3_011299 Cc1csc2nc(CNS(=O)(=O)c3ccccc3)cn12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B14 compound treatment 0.438 0.00644 0.31 0.454 0.0122 0.73 0.7361 0.9251 3033260 ChemDiv3_011300 Clc1ccc(OCCn2cnc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B15 compound treatment 0.462 0.0304 1.45 0.464 0.0222 1.34 1.9709 0.9992 3121009 ChemDiv3_011301 Cc1ccc(C)c(CN(C2=NC3CS(=O)(=O)CC3S2)c4cccc(Cl)c4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B16 compound treatment 0.476 0.0444 2.12 0.478 0.0362 2.18 3.0388 0.9999 3121010 ChemDiv3_011302 Cc1cccc(OCCn2c(nc3ccccc23)c4cccc(C)c4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B17 compound treatment 0.448 0.0164 0.78 0.463 0.0212 1.28 1.4564 0.9726 3033265 ChemDiv3_011303 CCn1c(C)c(CCC(=O)NCCCc2ccccc2)c(=O)n3nc(cc13)c4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B18 compound treatment 0.444 0.0124 0.59 0.447 0.00519 0.31 0.6404 0.9553 3121011 ChemDiv3_011304 CC(C)c1ccc(Cn2c(CCNC(=O)C)nc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B19 compound treatment 0.441 0.00944 0.45 0.445 0.00319 0.19 0.4541 0.9281 3033337 ChemDiv3_011305 CNC(=O)Nc1ccc2snnc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B20 compound treatment 0.436 0.00444 0.21 0.445 0.00319 0.19 0.2855 0.9989 1332733 ChemDiv3_011306 OC(=O)Cn1nnc(n1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B21 compound treatment 0.446 0.0144 0.69 0.451 0.00919 0.55 0.8781 0.9942 3121012 ChemDiv3_011307 O=C(NC1=NCCS1)Nc2ccc3snnc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B22 compound treatment 0.436 0.00444 0.21 0.445 0.00319 0.19 0.2855 0.9989 1020992 ChemDiv3_011308 CN1CCN(CC1)C(=O)c2ccc(N)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B23 mock treatment 0.44 0.00844 0.4 0.445 0.00319 0.19 0.4204 0.9429 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 B24 mock treatment 0.432 4.37E-4 0.02 0.447 0.00519 0.31 0.2359 0.7526 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C01 compound treatment 0.423 -0.00856 -0.41 0.427 -0.0148 -0.89 -0.919 -0.9373 3121013 ChemDiv3_011309 O=C(CC(=O)Nc1ccccn1)Nc2ccc3nc4CCCCCn4c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C02 compound treatment 0.424 -0.00756 -0.36 0.435 -0.00681 -0.41 -0.5447 -0.998 3121014 ChemDiv3_011310 CCCNC(=O)C(C)n1c2ccccc2c3cnn(C)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C03 compound treatment 0.473 0.0414 1.98 0.472 0.0302 1.82 2.6822 0.9991 3033345 ChemDiv3_011311 COc1ccc(Cl)cc1NC(=O)CN2C(=O)CC(c3ccccc3)S(=O)(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C04 compound treatment 0.419 -0.0126 -0.6 0.437 -0.00481 -0.29 -0.6281 -0.9443 3121015 ChemDiv3_011312 CN(CC(=O)N1CCCCC1)c2nn3c(=O)cc(C)nc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C05 compound treatment 0.406 -0.0256 -1.22 0.417 -0.0248 -1.49 -1.9178 -0.9949 3121016 ChemDiv3_011313 CCC(C(=O)NC1CCCC1)n2c(SCc3ccc(C)cc3)nc4ccncc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C06 compound treatment 0.421 -0.0106 -0.5 0.423 -0.0188 -1.13 -1.1567 -0.9334 3033350 ChemDiv3_011314 CCc1nn(CCCC(=O)N(C)Cc2ccccc2)c(=O)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C07 compound treatment 0.464 0.0324 1.55 0.476 0.0342 2.06 2.5492 0.99 3121197 ChemDiv3_011315 FC(F)(F)c1cccc(CSc2nc3ccncc3n2CC(=O)NCCC4=CCCCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C08 compound treatment 0.432 4.37E-4 0.02 0.441 -8.06E-4 -0.05 -0.0196 -0.3707 3121198 ChemDiv3_011316 CCc1nn(Cc2ccccc2)c(=O)c3cc4cc(C)ccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C09 compound treatment 0.42 -0.0116 -0.55 0.431 -0.0108 -0.65 -0.8498 -0.9966 3121199 ChemDiv3_011317 Cc1c(CNCc2ccc(C)cc2)c(C(=O)O)c(C)n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C10 compound treatment 0.429 -0.00256 -0.12 0.43 -0.0118 -0.71 -0.589 -0.8166 3033421 ChemDiv3_011318 CC(C)NC(=O)Cn1c(C)c2cnn(c3ccccc3)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C11 compound treatment 0.421 -0.0106 -0.5 0.437 -0.00481 -0.29 -0.5607 -0.9654 3121200 ChemDiv3_011319 CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C12 compound treatment 0.429 -0.00256 -0.12 0.439 -0.00281 -0.17 -0.2059 -0.9873 3033423 ChemDiv3_011320 CCN(CC)C(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C13 compound treatment 0.431 -5.63E-4 -0.03 0.445 0.00319 0.19 0.117 0.6027 3121201 ChemDiv3_011321 CCN(Cc1ccccc1)C(=O)Cn2ncc3c4ccccc4n(Cc5c(C)cc(C)cc5C)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C14 compound treatment 0.466 0.0344 1.64 0.47 0.0282 1.7 2.3611 0.9999 3121202 ChemDiv3_011322 CCOc1ccc(cc1)c2cc(NC(=O)Nc3ccc(F)cc3)c(s2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C15 compound treatment 0.421 -0.0106 -0.5 0.421 -0.0208 -1.25 -1.2419 -0.9198 3033427 ChemDiv3_011323 CNC(=O)Cn1cc2CC(C)CCc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C16 compound treatment 0.429 -0.00256 -0.12 0.431 -0.0108 -0.65 -0.5465 -0.8254 3121203 ChemDiv3_011324 O=C(NCCN1CCC(Cc2ccccc2)CC1)c3ccc(s3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C17 compound treatment 0.434 0.00244 0.12 0.437 -0.00481 -0.29 -0.1225 -0.3927 3033430 ChemDiv3_011325 O=C(N1CCCCC1)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C18 compound treatment 0.529 0.0974 4.64 0.528 0.0862 5.19 6.9541 0.9985 3121204 ChemDiv3_011326 CSc1ccc(CCNC(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C19 compound treatment 0.419 -0.0126 -0.6 0.426 -0.0158 -0.95 -1.0964 -0.9751 3033431 ChemDiv3_011327 CCOC(=O)N1CCC(CC1)NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C20 compound treatment 0.487 0.0554 2.64 0.5 0.0582 3.5 4.3462 0.9903 3121205 ChemDiv3_011328 Fc1ccc(Cn2nnc3c(SCC(=O)OCc4ccccc4)ncnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C21 compound treatment 0.42 -0.0116 -0.55 0.433 -0.00881 -0.53 -0.7647 -0.9998 3121206 ChemDiv3_011329 CC(C)NC(=O)Cn1c2ccccc2c3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C22 compound treatment 0.443 0.0114 0.55 0.45 0.00819 0.49 0.7344 0.9988 3033502 ChemDiv3_011330 CCOC(=O)C(C)Sc1ncnc2n(nnc12)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C23 mock treatment 0.41 -0.0216 -1.03 0.429 -0.0128 -0.77 -1.2721 -0.99 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 C24 mock treatment 0.419 -0.0126 -0.6 0.426 -0.0158 -0.95 -1.0964 -0.9751 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D01 compound treatment 0.436 0.00444 0.21 0.453 0.0112 0.67 0.6261 0.8864 3121207 ChemDiv3_011331 CC(C)NC(=O)CCc1c(C)nc2c3c(C)cc(C)nc3nn2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D02 compound treatment 0.435 0.00344 0.16 0.442 1.94E-4 0.01 0.1241 0.7555 3033506 ChemDiv3_011332 CC1CCCCN1CCn2cnc3c4cc(C)ccc4[nH]c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D03 compound treatment 0.437 0.00544 0.26 0.44 -0.00181 -0.11 0.1064 0.3784 3121208 ChemDiv3_011333 COc1ccc(cc1)C(CC(=O)Nc2cc(OC)cc(OC)c2)n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D04 compound treatment 0.556 0.124 5.93 0.533 0.0912 5.49 8.077 0.9993 3121209 ChemDiv3_011334 CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)/C(=O)N3CCc4ccccc34)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D05 compound treatment 0.438 0.00644 0.31 0.44 -0.00181 -0.11 0.1401 0.4303 3033508 ChemDiv3_011335 Cc1nc(CNS(=O)(=O)c2cccs2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D06 compound treatment 0.428 -0.00356 -0.17 0.434 -0.00781 -0.47 -0.4524 -0.9053 3033510 ChemDiv3_011336 COc1ccc(OCCn2c(=O)oc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D07 compound treatment 0.436 0.00444 0.21 0.451 0.00919 0.55 0.541 0.9129 3121210 ChemDiv3_011337 Cc1nc(CCNS(=O)(=O)c2cccs2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D08 compound treatment 0.44 0.00844 0.4 0.446 0.00419 0.25 0.4629 0.9748 3033513 ChemDiv3_011338 Cc1ccc(C)c(CSCc2nc3ccccc3[nH]2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D09 compound treatment 0.442 0.0104 0.5 0.448 0.00619 0.37 0.6155 0.9899 3121211 ChemDiv3_011339 Cc1nn(c2ccc(C)cc2)c3nc(C)c(CCC(=O)NCc4cccs4)c(C)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D10 compound treatment 0.429 -0.00256 -0.12 0.429 -0.0128 -0.77 -0.6316 -0.809 3033516 ChemDiv3_011340 CCn1c(nc2ccccc12)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D11 compound treatment 0.435 0.00344 0.16 0.45 0.00819 0.49 0.4647 0.894 3121212 ChemDiv3_011341 CCCC(=O)NCc1cn2ccsc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D12 compound treatment 0.432 4.37E-4 0.02 0.442 1.94E-4 0.01 0.023 0.9622 3121213 ChemDiv3_011342 O=C(NCCc1nc2ccccc2n1Cc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D13 compound treatment 0.434 0.00244 0.12 0.454 0.0122 0.73 0.6013 0.8089 3033594 ChemDiv3_011343 CCCS(=O)(=O)NCc1cn2c(C)csc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D14 compound treatment 0.436 0.00444 0.21 0.44 -0.00181 -0.11 0.0727 0.3055 3121214 ChemDiv3_011344 CC(=C)Cn1c(nc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D15 compound treatment 0.434 0.00244 0.12 0.442 1.94E-4 0.01 0.0904 0.7741 3121215 ChemDiv3_011345 CCCN(C1=NC2CS(=O)(=O)CC2S1)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D16 compound treatment 0.443 0.0114 0.55 0.441 -8.06E-4 -0.05 0.3512 0.6416 3033600 ChemDiv3_011346 CC(=O)NCc1nc2ccccc2n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D17 compound treatment 0.448 0.0164 0.78 0.447 0.00519 0.31 0.7752 0.9188 3121216 ChemDiv3_011347 CCn1c(C)c(CCC(=O)N2CCCC2)c(=O)n3nc(cc13)c4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D18 compound treatment 0.439 0.00744 0.35 0.44 -0.00181 -0.11 0.1738 0.4686 3033603 ChemDiv3_011348 CC(=O)NCCc1nc2ccccc2n1CCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D19 compound treatment 0.431 -5.63E-4 -0.03 0.442 1.94E-4 0.01 -0.0107 -0.3667 3033605 ChemDiv3_011349 CNC(=O)c1ccc2snnc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D20 compound treatment 0.429 -0.00256 -0.12 0.442 1.94E-4 0.01 -0.0781 -0.6368 3121217 ChemDiv3_011350 Nc1ccc(cc1)n2cnnn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D21 compound treatment 0.434 0.00244 0.12 0.426 -0.0158 -0.95 -0.5908 -0.6162 3121218 ChemDiv3_011351 CC1CN(C(=O)Nc2ccc3snnc3c2)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D22 compound treatment 0.445 0.0134 0.64 0.456 0.0142 0.85 1.0572 0.9899 3033610 ChemDiv3_011352 FC(F)(F)c1ccc(nc1)N2CCN(CC2)C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D23 mock treatment 0.44 0.00844 0.4 0.444 0.00219 0.13 0.3778 0.8924 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 D24 mock treatment 0.431 -5.63E-4 -0.03 0.433 -0.00881 -0.53 -0.3939 -0.7419 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E01 compound treatment 0.577 0.145 6.93 0.56 0.118 7.12 9.9344 0.9999 3121219 ChemDiv3_011353 COc1ccc(cc1)N2C(c3c(C2=O)n(C)c4ccccc34)c5cccc(OC)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E02 compound treatment 0.443 0.0114 0.55 0.458 0.0162 0.98 1.075 0.9623 3121220 ChemDiv3_011354 CNC(=O)C(C)n1c2ccccc2c3cn[nH]c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E03 compound treatment 0.439 0.00744 0.35 0.453 0.0112 0.67 0.7273 0.955 3033674 ChemDiv3_011355 FC(F)(F)c1ccccc1NC(=O)CN2C(=O)CC(c3ccccc3)S(=O)(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E04 compound treatment 0.437 0.00544 0.26 0.448 0.00619 0.37 0.447 0.9842 3121221 ChemDiv3_011356 Cc1nn(CC(=O)NCC2CCCO2)c(=O)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E05 compound treatment 0.423 -0.00856 -0.41 0.422 -0.0198 -1.19 -1.1319 -0.898 3033676 ChemDiv3_011357 Cc1cc(C)c(Cn2c(SCc3cccc(F)c3)nc4ccncc24)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E06 compound treatment 0.44 0.00844 0.4 0.449 0.00719 0.43 0.5907 0.9993 3121222 ChemDiv3_011358 CCOc1ccc(NC(=O)CCCn2nc(CC)n3c4ccoc4cc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E07 compound treatment 0.418 -0.0136 -0.65 0.435 -0.00681 -0.41 -0.7469 -0.9758 3121223 ChemDiv3_011359 CC(C)CCNC(=O)Cn1c(SCc2c(F)cccc2Cl)nc3ccncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E08 compound treatment 0.451 0.0194 0.93 0.472 0.0302 1.82 1.9407 0.9511 3121224 ChemDiv3_011360 Cn1c(cc2oc3ccccc3c12)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E09 compound treatment 0.438 0.00644 0.31 0.448 0.00619 0.37 0.4807 0.9953 3121225 ChemDiv3_011361 CC(NCc1c(C)n(Cc2ccccc2)c(C)c1C(=O)O)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E10 compound treatment 0.446 0.0144 0.69 0.452 0.0102 0.61 0.9206 0.9984 3033681 ChemDiv3_011362 CCC(C(=O)Nc1ccc(OC)c(OC)c1)n2c(C)c3cnn(c4ccccc4)c(=O)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E11 compound treatment 0.435 0.00344 0.16 0.438 -0.00381 -0.23 -0.0462 -0.1639 3121401 ChemDiv3_011363 O=C(Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E12 compound treatment 0.441 0.00944 0.45 0.456 0.0142 0.85 0.9224 0.9551 3033685 ChemDiv3_011364 Cc1n(Cc2ccccc2F)c(C)c3c(=O)n(CC(=O)N4CCC5(CC4)OCCO5)ncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E13 compound treatment 0.433 0.00144 0.07 0.449 0.00719 0.43 0.3547 0.8089 3121402 ChemDiv3_011365 NC(=O)C1CCN(CC1)C(=O)Cn2ncc3c4ccccc4n(Cc5ccc(F)cc5)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E14 compound treatment 0.441 0.00944 0.45 0.438 -0.00381 -0.23 0.1561 0.3091 3033687 ChemDiv3_011366 O=c1[nH]cnc2cc(sc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E15 compound treatment 0.441 0.00944 0.45 0.45 0.00819 0.49 0.667 0.9989 3121403 ChemDiv3_011367 CCCCN(C)C(=O)Cn1cc2CCCCCc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E16 compound treatment 0.476 0.0444 2.12 0.484 0.0422 2.54 3.2943 0.9959 3033689 ChemDiv3_011368 CCOC(=O)c1cccc(NC(=O)c2ccc(s2)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E17 compound treatment 0.45 0.0184 0.88 0.45 0.00819 0.49 0.9703 0.9627 3121404 ChemDiv3_011369 O=C(NCc1ccccc1)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E18 compound treatment 0.517 0.0854 4.07 0.523 0.0812 4.89 6.3367 0.9959 3121405 ChemDiv3_011370 COc1ccccc1NC(=O)CSc2ncnc3n(Cc4ccccc4)nnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E19 compound treatment 0.438 0.00644 0.31 0.439 -0.00281 -0.17 0.0975 0.2783 3121406 ChemDiv3_011371 COc1cc(OC)c(NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E20 compound treatment 0.523 0.0914 4.36 0.515 0.0732 4.41 6.1983 1.0 3033749 ChemDiv3_011372 Fc1ccc(Cn2nnc3c(SCC(=O)c4ccccc4)ncnc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E21 compound treatment 0.455 0.0234 1.12 0.458 0.0162 0.98 1.4795 0.9977 3121407 ChemDiv3_011373 CC1CCC(CC1)NC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E22 compound treatment 0.431 -5.63E-4 -0.03 0.446 0.00419 0.25 0.1596 0.6285 3033752 ChemDiv3_011374 OC(=O)CCc1nc2ncccc2c(=O)n1Cc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E23 mock treatment 0.426 -0.00556 -0.27 0.436 -0.00581 -0.35 -0.4347 -0.9907 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 E24 mock treatment 0.436 0.00444 0.21 0.439 -0.00281 -0.17 0.0301 0.1112 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F01 compound treatment 0.453 0.0214 1.02 0.457 0.0152 0.91 1.3695 0.9985 3121408 ChemDiv3_011375 Cc1cc(C)c2c(nn3c(C)c(CCC(=O)NCCc4ccccc4)c(C)nc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F02 compound treatment 0.445 0.0134 0.64 0.453 0.0112 0.67 0.9295 0.9997 3033756 ChemDiv3_011376 CCC1CCCN1Cn2cnc3c4cc(C)ccc4[nH]c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F03 compound treatment 0.448 0.0164 0.78 0.451 0.00919 0.55 0.9455 0.9855 3121409 ChemDiv3_011377 COc1ccc(NC(=O)C(C)n2cccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F04 compound treatment 0.444 0.0124 0.59 0.448 0.00619 0.37 0.6829 0.975 3121410 ChemDiv3_011378 CCn1c(CCNC(=O)C2CCCCC2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F05 compound treatment 0.45 0.0184 0.88 0.46 0.0182 1.1 1.3961 0.994 3033761 ChemDiv3_011379 Cc1ccc(c(C)c1)S(=O)(=O)NCc2csc(n2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F06 compound treatment 0.446 0.0144 0.69 0.449 0.00719 0.43 0.7929 0.9751 3121411 ChemDiv3_011380 CC(C)Oc1ccccc1Cn2c(=O)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F07 compound treatment 0.453 0.0214 1.02 0.465 0.0232 1.4 1.7101 0.9882 3033762 ChemDiv3_011381 Cc1nc(CCNS(=O)(=O)c2ccc(C)cc2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F08 compound treatment 0.445 0.0134 0.64 0.454 0.0122 0.73 0.9721 0.9977 1240157 ChemDiv3_011382 CC(SCc1nc2ccccc2[nH]1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F09 compound treatment 0.441 0.00944 0.45 0.434 -0.00781 -0.47 -0.0142 -0.0219 3121412 ChemDiv3_011383 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)Nc4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F10 compound treatment 0.447 0.0154 0.74 0.452 0.0102 0.61 0.9543 0.9959 3033767 ChemDiv3_011384 CC(C)Cc1ccc(cc1)C(C)c2nc3ccccc3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F11 compound treatment 0.452 0.0204 0.97 0.45 0.00819 0.49 1.0377 0.9503 3121413 ChemDiv3_011385 CC(C)(C)CC(=O)NCc1cn2ccsc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F12 compound treatment 0.444 0.0124 0.59 0.452 0.0102 0.61 0.8532 0.9999 3034195 ChemDiv3_011386 Cn1c(CCCO)nc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F13 compound treatment 0.448 0.0164 0.78 0.465 0.0232 1.4 1.5415 0.9627 3121414 ChemDiv3_011387 Cc1ccc(cc1)c2nc3ncccn3c2NC(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F14 compound treatment 0.451 0.0194 0.93 0.455 0.0132 0.79 1.2169 0.9971 3034197 ChemDiv3_011388 C(c1ccccc1)n2c(nc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F15 compound treatment 0.475 0.0434 2.07 0.474 0.0322 1.94 2.8348 0.9995 3121415 ChemDiv3_011389 Cc1nn2c(C)c(CC(=O)Nc3cc(C)ccc3C)c(C)nc2c1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F16 compound treatment 0.456 0.0244 1.16 0.451 0.00919 0.55 1.2151 0.9421 3034200 ChemDiv3_011390 CCCC(=O)NCc1nc2ccccc2n1C(C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F17 compound treatment 0.458 0.0264 1.26 0.463 0.0212 1.28 1.7935 1.0 3121416 ChemDiv3_011391 CC1CCN(CC1)C(=O)CCc2c(C)nc3n(C)nc(C)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F18 compound treatment 0.456 0.0244 1.16 0.455 0.0132 0.79 1.3854 0.9826 3034205 ChemDiv3_011392 CC(=O)NCCc1nc2ccccc2n1CCOc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F19 compound treatment 0.461 0.0294 1.4 0.469 0.0272 1.64 2.15 0.9971 3121417 ChemDiv3_011393 CCc1ccccc1NC(=O)c2ccc3snnc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F20 compound treatment 0.438 0.00644 0.31 0.447 0.00519 0.31 0.4381 1.0 3034210 ChemDiv3_011394 Cc1cc(C)n(CCC(=O)O)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F21 compound treatment 0.445 0.0134 0.64 0.449 0.00719 0.43 0.7592 0.9818 3121418 ChemDiv3_011395 CC1(CC2CC(C)(C)C1)CN2C(=O)Nc3ccc4snnc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F22 compound treatment 0.439 0.00744 0.35 0.438 -0.00381 -0.23 0.0886 0.21 3121419 ChemDiv3_011396 CCOc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F23 mock treatment 0.435 0.00344 0.16 0.455 0.0132 0.79 0.6776 0.8354 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 F24 mock treatment 0.44 0.00844 0.4 0.44 -0.00181 -0.11 0.2075 0.498 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G01 compound treatment 0.428 -0.00356 -0.17 0.433 -0.00881 -0.53 -0.495 -0.8891 3034280 ChemDiv3_011397 CCN1C(=O)CCS(=O)(=O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G02 compound treatment 0.447 0.0154 0.74 0.462 0.0202 1.22 1.3801 0.9711 3121420 ChemDiv3_011398 CCC(C(=O)NCc1ccccc1)n2c3ccccc3c4cn[nH]c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G03 compound treatment 0.43 -0.00156 -0.07 0.434 -0.00781 -0.47 -0.385 -0.8091 3121421 ChemDiv3_011399 O=C(CN1C(=O)CC(c2ccccc2)S(=O)(=O)c3ccccc13)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G04 compound treatment 0.438 0.00644 0.31 0.459 0.0172 1.04 0.949 0.8789 3034289 ChemDiv3_011400 CCc1nn(CC(=O)NC2CC2)c(=O)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G05 compound treatment 0.424 -0.00756 -0.36 0.428 -0.0138 -0.83 -0.8427 -0.9301 3121422 ChemDiv3_011401 CCC(C(=O)Nc1ccccc1F)n2c(SCc3ccc(F)cc3)nc4ccncc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G06 compound treatment 0.449 0.0174 0.83 0.449 0.00719 0.43 0.894 0.9538 3034293 ChemDiv3_011402 O=C(CCCn1ncn2c3ccoc3cc2c1=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G07 compound treatment 0.531 0.0994 4.74 0.52 0.0782 4.71 6.6809 1.0 3034296 ChemDiv3_011403 Cc1ccccc1NC(=O)Nc2cc3sccc3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G08 compound treatment 0.462 0.0304 1.45 0.474 0.0322 1.94 2.3966 0.9898 3121423 ChemDiv3_011404 Cn1c(cc2oc3ccccc3c12)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G09 compound treatment 0.434 0.00244 0.12 0.432 -0.00981 -0.59 -0.3353 -0.5573 3121424 ChemDiv3_011405 CC(CCc1ccccc1)NCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G10 compound treatment 0.441 0.00944 0.45 0.447 0.00519 0.31 0.5392 0.9842 3034299 ChemDiv3_011406 CN(Cc1ccccc1)C(=O)CCCn2c(C)c3cnn(c4ccccc4)c(=O)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G11 compound treatment 0.485 0.0534 2.55 0.5 0.0582 3.5 4.2788 0.9877 3121425 ChemDiv3_011407 COc1cccc(NC(=O)Cn2ncc3c4ccccc4n(Cc5ccccc5)c3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G12 compound treatment 0.474 0.0424 2.02 0.465 0.0232 1.4 2.4179 0.9836 3121426 ChemDiv3_011408 COC(=O)c1ccc(c2ccco2)n1Cc3nc(oc3C)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G13 compound treatment 0.479 0.0474 2.26 0.489 0.0472 2.84 3.6083 0.9936 3034302 ChemDiv3_011409 CNC(=O)Cn1ncc2c3ccccc3n(Cc4ccccc4F)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G14 compound treatment 0.494 0.0624 2.98 0.497 0.0552 3.32 4.4545 0.9985 3121427 ChemDiv3_011410 CCOc1ccc(cc1)c2cc3[nH]c(=O)n(c4ccccc4C(F)(F)F)c(=O)c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G15 compound treatment 0.432 4.37E-4 0.02 0.445 0.00319 0.19 0.1507 0.7792 3033183 ChemDiv3_011411 O=C(Cn1cc2CCCCCc2n1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G16 compound treatment 0.448 0.0164 0.78 0.453 0.0112 0.67 1.0306 0.9972 3121428 ChemDiv3_011412 CN(Cc1ccccc1)C(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G17 compound treatment 0.44 0.00844 0.4 0.45 0.00819 0.49 0.6332 0.9949 3033185 ChemDiv3_011413 CCCNC(=O)c1cnn(c1n2cccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G18 compound treatment 0.457 0.0254 1.21 0.463 0.0212 1.28 1.7597 0.9997 3121600 ChemDiv3_011414 O=C(CSc1ncnc2n(Cc3ccccc3)nnc12)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G19 compound treatment 0.434 0.00244 0.12 0.44 -0.00181 -0.11 0.0053 0.033 3121601 ChemDiv3_011415 COC(=O)c1ccccc1NC(=O)c2c(C)nn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G20 compound treatment 0.436 0.00444 0.21 0.436 -0.00581 -0.35 -0.0976 -0.2389 3033190 ChemDiv3_011416 Cc1ccc(cc1)n2nnc3c(SCC(=O)N4CCCC4)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G21 compound treatment 0.45 0.0184 0.88 0.455 0.0132 0.79 1.1832 0.9987 3121602 ChemDiv3_011417 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G22 compound treatment 0.44 0.00844 0.4 0.442 1.94E-4 0.01 0.2926 0.7273 3033194 ChemDiv3_011418 COc1ccc(Cn2c(CCC(=O)NCCC3=CCCCC3)nc4ncccc4c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G23 mock treatment 0.429 -0.00256 -0.12 0.438 -0.00381 -0.23 -0.2484 -0.9566 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 G24 mock treatment 0.428 -0.00356 -0.17 0.439 -0.00281 -0.17 -0.2396 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H01 compound treatment 0.443 0.0114 0.55 0.44 -0.00181 -0.11 0.3086 0.5551 3121603 ChemDiv3_011419 Cc1ccc(NC(=O)CCc2c(C)nc3c4c(C)cc(C)nc4nn3c2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H02 compound treatment 0.459 0.0274 1.31 0.464 0.0222 1.34 1.8697 0.9999 3121604 ChemDiv3_011420 COc1ccc2[nH]c3c(=O)n(CCc4ccc(Cl)cc4)cnc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H03 compound treatment 0.442 0.0104 0.5 0.441 -8.06E-4 -0.05 0.3175 0.6351 3033200 ChemDiv3_011421 CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H04 compound treatment 0.437 0.00544 0.26 0.44 -0.00181 -0.11 0.1064 0.3784 3033269 ChemDiv3_011422 Cc1ccccc1OCCn2c(CCCNC(=O)C3CCCCC3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H05 compound treatment 0.44 0.00844 0.4 0.441 -8.06E-4 -0.05 0.2501 0.6173 3121605 ChemDiv3_011423 COc1ccc(cc1OC)S(=O)(=O)NCc2csc(n2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H06 compound treatment 0.552 0.12 5.74 0.524 0.0822 4.95 7.559 0.9973 3033273 ChemDiv3_011424 C=Cn1c2ccccc2c3nc4ccccc4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H07 compound treatment 0.45 0.0184 0.88 0.447 0.00519 0.31 0.8426 0.9032 3121606 ChemDiv3_011425 CCS(=O)(=O)NCCc1csc(n1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H08 compound treatment 0.428 -0.00356 -0.17 0.425 -0.0168 -1.01 -0.8356 -0.8144 3033278 ChemDiv3_011426 C(CC1CCCCC1)SCc2nc3ccccc3[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H09 compound treatment 0.434 0.00244 0.12 0.44 -0.00181 -0.11 0.0053 0.033 3121607 ChemDiv3_011427 CCN(C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H10 compound treatment 0.432 4.37E-4 0.02 0.436 -0.00581 -0.35 -0.2325 -0.6637 3033281 ChemDiv3_011428 Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H11 compound treatment 0.435 0.00344 0.16 0.438 -0.00381 -0.23 -0.0462 -0.1639 3121608 ChemDiv3_011429 O=C(NCc1cn2ccsc2n1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H12 compound treatment 0.442 0.0104 0.5 0.435 -0.00681 -0.41 0.062 0.0962 1110029 ChemDiv3_011430 Cn1c(CO)nc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H13 compound treatment 0.452 0.0204 0.97 0.457 0.0152 0.91 1.3358 0.9995 3121609 ChemDiv3_011431 Cc1ccc(cc1)c2nc3ncccn3c2NC(=O)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H14 compound treatment 0.436 0.00444 0.21 0.433 -0.00881 -0.53 -0.2254 -0.3948 1582718 ChemDiv3_011432 COc1ccc(cc1OC)c2nc3ccccc3n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H15 compound treatment 0.449 0.0174 0.83 0.452 0.0102 0.61 1.0218 0.9889 3033354 ChemDiv3_011433 COC(=O)C(NC(=O)Cc1c(C)nc2c(c(C)nn2c1C)c3ccccc3)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H16 compound treatment 0.465 0.0334 1.59 0.46 0.0182 1.1 1.9017 0.9832 3121610 ChemDiv3_011434 Clc1ccc(Cn2c(CNC(=O)COc3ccccc3)nc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H17 compound treatment 0.449 0.0174 0.83 0.456 0.0142 0.85 1.1921 0.9999 3033358 ChemDiv3_011435 COc1cccc(NC(=O)CCn2nc(c3ccccc3OC)c4c(C)cc(C)nc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H18 compound treatment 0.427 -0.00456 -0.22 0.434 -0.00781 -0.47 -0.4861 -0.9387 3121611 ChemDiv3_011436 Cc1ccc2[nH]c(Sc3cccc(Cl)c3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H19 compound treatment 0.483 0.0514 2.45 0.493 0.0512 3.08 3.9134 0.9936 3121612 ChemDiv3_011437 CSc1ccc(CCNC(=O)c2ccc3snnc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H20 compound treatment 0.425 -0.00656 -0.31 0.435 -0.00681 -0.41 -0.511 -0.9911 1228192 ChemDiv3_011438 CC(C(=O)O)n1nnc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H21 compound treatment 0.446 0.0144 0.69 0.447 0.00519 0.31 0.7078 0.9363 3121613 ChemDiv3_011439 OC(=O)CC1(Cc2nc(no2)c3ccc(Cl)cc3)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H22 compound treatment 0.394 -0.0376 -1.79 0.396 -0.0458 -2.76 -3.2163 -0.9781 3121614 ChemDiv3_011440 Cc1nc2cc(C)c(C)cc2n1CCCNC(=O)NC3(C[C@H]4C[C@@H]5C[C@H](C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H23 mock treatment 0.443 0.0114 0.55 0.438 -0.00381 -0.23 0.2235 0.3778 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 H24 mock treatment 0.428 -0.00356 -0.17 0.435 -0.00681 -0.41 -0.4099 -0.9239 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I01 compound treatment 0.435 0.00344 0.16 0.443 0.00119 0.07 0.1667 0.9316 3121615 ChemDiv3_011441 O=C1CCS(=O)(=O)c2ccccc2N1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I02 compound treatment 0.456 0.0244 1.16 0.46 0.0182 1.1 1.5983 0.9995 3121616 ChemDiv3_011442 CCC(C(=O)NC1CCC(C)CC1)n2c3ccccc3c4cn[nH]c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I03 compound treatment 0.494 0.0624 2.98 0.505 0.0632 3.8 4.7951 0.9926 3033437 ChemDiv3_011443 CCCC(=O)N1CCC(CC1)(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I04 compound treatment 0.465 0.0334 1.59 0.484 0.0422 2.54 2.9235 0.9748 3121617 ChemDiv3_011444 CCc1nn(CC(=O)NCCc2ccc(cc2)S(=O)(=O)N)c(=O)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I05 compound treatment 0.471 0.0394 1.88 0.475 0.0332 2.0 2.7426 0.9995 3033442 ChemDiv3_011445 COc1ccc(cc1)c2nc(Cn3c(SCc4cc(C)ccc4C)nc5ccncc35)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I06 compound treatment 0.442 0.0104 0.5 0.451 0.00919 0.55 0.7432 0.9986 3121618 ChemDiv3_011446 CC1CCCCC1NC(=O)CCCn2ncn3c4ccoc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I07 compound treatment 0.438 0.00644 0.31 0.434 -0.00781 -0.47 -0.1154 -0.2055 3121619 ChemDiv3_011447 Cc1cccc(Cn2c(SCc3ccc(cc3)C(=O)N4CCCCC4)nc5ccncc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I08 compound treatment 0.45 0.0184 0.88 0.463 0.0212 1.28 1.5238 0.9834 3033446 ChemDiv3_011448 CCCNC(=O)c1cc2oc3ccccc3c2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I09 compound treatment 0.43 -0.00156 -0.07 0.453 0.0112 0.67 0.4239 0.6252 3121620 ChemDiv3_011449 Cn1c2ccccc2c3cnn(CC(=O)N4CCCC4)c(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I10 compound treatment 0.445 0.0134 0.64 0.456 0.0142 0.85 1.0572 0.9899 3033449 ChemDiv3_011450 Cc1n(CCCC(=O)NC2CCCCCC2)c(C)c3c(=O)n(ncc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I11 compound treatment 0.471 0.0394 1.88 0.48 0.0382 2.3 2.9554 0.995 3121621 ChemDiv3_011451 CCCNC(=O)Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I12 compound treatment 0.446 0.0144 0.69 0.457 0.0152 0.91 1.1335 0.9902 3121622 ChemDiv3_011452 COC(=O)c1ccc(c2ccco2)n1CC(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I13 compound treatment 0.444 0.0124 0.59 0.443 0.00119 0.07 0.4701 0.7871 3033452 ChemDiv3_011453 O=C(Cn1cc2CCCCc2n1)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I14 compound treatment 0.441 0.00944 0.45 0.452 0.0102 0.61 0.7521 0.9883 3034692 ChemDiv3_011454 CC(C)(C)OC(=O)NCc1nc(N)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I15 compound treatment 0.434 0.00244 0.12 0.433 -0.00881 -0.53 -0.2928 -0.5394 3034693 ChemDiv3_011455 CCCNC(=O)Cn1cc2CCCCCc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I16 compound treatment 0.442 0.0104 0.5 0.436 -0.00581 -0.35 0.1046 0.172 3034694 ChemDiv3_011456 O=C(N1CCCC1)c2cc3CS(=O)(=O)c4ccccc4-c3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I17 compound treatment 0.441 0.00944 0.45 0.451 0.00919 0.55 0.7095 0.9947 3034695 ChemDiv3_011457 O=C(NCCc1ccccc1)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I18 compound treatment 0.444 0.0124 0.59 0.453 0.0112 0.67 0.8958 0.998 3034696 ChemDiv3_011458 COc1ccc(CCNC(=O)CSc2ncnc3n(Cc4ccccc4)nnc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I19 compound treatment 0.441 0.00944 0.45 0.446 0.00419 0.25 0.4967 0.9627 3034697 ChemDiv3_011459 Cc1ccc(C)c(NC(=O)C2CCCN(C2)C(=O)c3cnn(c3n4cccc4)c5ccccc5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I20 compound treatment 0.485 0.0534 2.55 0.516 0.0742 4.47 4.96 0.9645 3034698 ChemDiv3_011460 Cc1ccc(cc1)n2nnc3c(SCC(=O)NCc4ccccc4Cl)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I21 compound treatment 0.428 -0.00356 -0.17 0.446 0.00419 0.25 0.0585 0.1921 3121623 ChemDiv3_011461 CC1CC(C)CN(CCCNC(=O)Cn2c3ccccc3c4cn[nH]c(=O)c24)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I22 compound treatment 0.447 0.0154 0.74 0.449 0.00719 0.43 0.8266 0.9681 3121624 ChemDiv3_011462 Clc1ccccc1Cn2c(CCC(=O)N3CCN(CC3)c4ccccc4)nc5ncccc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I23 mock treatment 0.429 -0.00256 -0.12 0.441 -8.06E-4 -0.05 -0.1207 -0.9183 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 I24 mock treatment 0.431 -5.63E-4 -0.03 0.449 0.00719 0.43 0.2873 0.6621 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J01 compound treatment 0.443 0.0114 0.55 0.441 -8.06E-4 -0.05 0.3512 0.6416 3034699 ChemDiv3_011463 CCc1ccc(NC(=O)CCn2cccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J02 compound treatment 0.437 0.00544 0.26 0.43 -0.0118 -0.71 -0.3194 -0.4221 3121625 ChemDiv3_011464 COc1ccc2[nH]c3c(=O)n(CCN4CCC(Cc5ccccc5)CC4)cnc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J03 compound treatment 0.429 -0.00256 -0.12 0.439 -0.00281 -0.17 -0.2059 -0.9873 3034700 ChemDiv3_011465 Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J04 compound treatment 0.432 4.37E-4 0.02 0.438 -0.00381 -0.23 -0.1473 -0.6401 3121626 ChemDiv3_011466 CCOc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J05 compound treatment 0.446 0.0144 0.69 0.455 0.0132 0.79 1.0484 0.9974 3034701 ChemDiv3_011467 O=S(=O)(NCc1csc(n1)c2cccnc2)c3ccc4CCCCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J06 compound treatment 0.439 0.00744 0.35 0.439 -0.00281 -0.17 0.1312 0.3341 3121800 ChemDiv3_011468 CCc1nc2ccccc2n1CCC(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J07 compound treatment 0.45 0.0184 0.88 0.448 0.00619 0.37 0.8852 0.9271 3034702 ChemDiv3_011469 O=S(=O)(NCCc1csc(n1)c2cccnc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J08 compound treatment 0.436 0.00444 0.21 0.454 0.0122 0.73 0.6687 0.8752 3121801 ChemDiv3_011470 CCCCn1c(CCCNC(=O)C(C)C)nc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J09 compound treatment 0.43 -0.00156 -0.07 0.445 0.00319 0.19 0.0833 0.4039 3121802 ChemDiv3_011471 O=C(Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J10 compound treatment 0.448 0.0164 0.78 0.445 0.00319 0.19 0.69 0.8553 3034703 ChemDiv3_011472 Cc1cc2ncn(CCC3CCCCC3)c2cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J11 compound treatment 0.433 0.00144 0.07 0.441 -8.06E-4 -0.05 0.0141 0.1681 3121803 ChemDiv3_011473 FC(F)(F)c1ccccc1C(=O)NCc2cn3ccsc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J12 compound treatment 0.451 0.0194 0.93 0.443 0.00119 0.07 0.706 0.7597 1279671 ChemDiv3_011474 Cc1ccccc1Cn2c(Cc3ccccc3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J13 compound treatment 0.445 0.0134 0.64 0.443 0.00119 0.07 0.5038 0.7815 3121804 ChemDiv3_011475 CCCCN(C1=NC2CS(=O)(=O)CC2S1)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J14 compound treatment 0.432 4.37E-4 0.02 0.429 -0.0128 -0.77 -0.5305 -0.6877 3034704 ChemDiv3_011476 Cc1ccc(OCCn2c(CC(C)(C)C)nc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J15 compound treatment 0.448 0.0164 0.78 0.459 0.0172 1.04 1.2861 0.9906 3121805 ChemDiv3_011477 Cc1nc2cc(nn2c(C)c1CC(=O)NCc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J16 compound treatment 0.434 0.00244 0.12 0.433 -0.00881 -0.53 -0.2928 -0.5394 3034705 ChemDiv3_011478 CC(NC(=O)C)c1nc2ccccc2n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J17 compound treatment 0.452 0.0204 0.97 0.457 0.0152 0.91 1.3358 0.9995 3121806 ChemDiv3_011479 COc1ccccc1c2nn(CCC(=O)NCCc3ccc(Cl)cc3)c4nc(C)cc(C)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J18 compound treatment 0.422 -0.00956 -0.46 0.436 -0.00581 -0.35 -0.5695 -0.9914 1593064 ChemDiv3_011480 OC(c1nc2ccccc2n1Cc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J19 compound treatment 0.467 0.0354 1.69 0.472 0.0302 1.82 2.48 0.9993 3034706 ChemDiv3_011481 CC(C)c1ccc(NC(=O)c2ccc3snnc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J20 compound treatment 0.43 -0.00156 -0.07 0.442 1.94E-4 0.01 -0.0444 -0.5893 3121807 ChemDiv3_011482 C(N1CCCCC1)c2ccc(cc2)c3nn[nH]n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J21 compound treatment 0.439 0.00744 0.35 0.443 0.00119 0.07 0.3015 0.8335 3034707 ChemDiv3_011483 COc1ccc(cc1)C2CCCN2C(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J22 compound treatment 0.438 0.00644 0.31 0.441 -8.06E-4 -0.05 0.1827 0.5879 3121808 ChemDiv3_011484 CC1CC(C)CN(C1)c2ccc3nc4ccc(C)cc4c(=O)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J23 mock treatment 0.428 -0.00356 -0.17 0.434 -0.00781 -0.47 -0.4524 -0.9053 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 J24 mock treatment 0.435 0.00344 0.16 0.446 0.00419 0.25 0.2944 0.9781 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K01 compound treatment 0.442 0.0104 0.5 0.448 0.00619 0.37 0.6155 0.9899 3034708 ChemDiv3_011485 CC1CC(=O)N(CC(=O)N)c2ccccc2S1(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K02 compound treatment 0.467 0.0354 1.69 0.475 0.0332 2.0 2.6077 0.9965 3121809 ChemDiv3_011486 O=C(CCCn1c2ccccc2c3cn[nH]c(=O)c13)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K03 compound treatment 0.453 0.0214 1.02 0.453 0.0112 0.67 1.1992 0.9796 3121810 ChemDiv3_011487 CC(C)Cn1c(=O)c2sccc2n3c(=S)sc(c4ccccc4)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K04 compound treatment 0.449 0.0174 0.83 0.453 0.0112 0.67 1.0643 0.9946 3034709 ChemDiv3_011488 CC(C(=O)NC1CCCCCC1)n2nc(C)n3c4ccoc4cc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K05 compound treatment 0.471 0.0394 1.88 0.476 0.0342 2.06 2.7851 0.999 3121811 ChemDiv3_011489 Cc1oc(nc1Cn2c(SCc3cccc(Cl)c3)nc4ccncc24)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K06 compound treatment 0.438 0.00644 0.31 0.449 0.00719 0.43 0.5233 0.9858 3034710 ChemDiv3_011490 Cc1ccc2c(cc3c(=O)n(CC(=O)N4CCCC4)nc(C)n32)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K07 compound treatment 0.436 0.00444 0.21 0.427 -0.0148 -0.89 -0.4808 -0.5248 3121812 ChemDiv3_011491 Cc1cccc(Cn2c(SCc3ccc(cc3)C(=O)NCCN4CCCC4)nc5ccncc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K08 compound treatment 0.465 0.0334 1.59 0.461 0.0192 1.16 1.9443 0.9875 3121813 ChemDiv3_011492 CC(CNC(=O)c1cc2oc3ccccc3c2n1C)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K09 compound treatment 0.452 0.0204 0.97 0.465 0.0232 1.4 1.6764 0.9845 3034711 ChemDiv3_011493 CCCCN(C)C(=O)Cn1ncc2c3ccccc3n(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K10 compound treatment 0.459 0.0274 1.31 0.465 0.0232 1.4 1.9123 0.9995 3121814 ChemDiv3_011494 Cc1n(CCCC(=O)NCCc2ccccc2)c(C)c3c(=O)n(ncc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K11 compound treatment 0.444 0.0124 0.59 0.454 0.0122 0.73 0.9384 0.9944 3034712 ChemDiv3_011495 O=C(Cn1ncc2c3ccccc3n(Cc4ccccc4)c2c1=O)NC5CC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K12 compound treatment 0.452 0.0204 0.97 0.46 0.0182 1.1 1.4635 0.9983 3121815 ChemDiv3_011496 CCCNC(=O)Cn1c(ccc1c2ccco2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K13 compound treatment 0.454 0.0224 1.07 0.439 -0.00281 -0.17 0.6368 0.5881 3034713 ChemDiv3_011497 CCc1ccc(NC(=O)Cn2cc3CCCCc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K14 compound treatment 0.443 0.0114 0.55 0.471 0.0292 1.76 1.6284 0.8849 3121816 ChemDiv3_011498 Cc1cc(C)n2nc(CNS(=O)(=O)c3cccc4nsnc34)nc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K15 compound treatment 0.442 0.0104 0.5 0.447 0.00519 0.31 0.5729 0.9749 3121817 ChemDiv3_011499 CN(Cc1ccccc1)C(=O)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K16 compound treatment 0.453 0.0214 1.02 0.459 0.0172 1.04 1.4546 1.0 3034714 ChemDiv3_011500 CN(C)CCNC(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K17 compound treatment 0.478 0.0464 2.21 0.479 0.0372 2.24 3.1488 1.0 3121818 ChemDiv3_011501 O=C(NC1CCCc2ccccc12)c3cnn(c3n4cccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K18 compound treatment 0.55 0.118 5.65 0.54 0.0982 5.91 8.1728 0.9997 3034715 ChemDiv3_011502 C(Sc1ncnc2n(Cc3ccccc3)nnc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K19 compound treatment 0.428 -0.00356 -0.17 0.436 -0.00581 -0.35 -0.3673 -0.945 3121819 ChemDiv3_011503 O=C(Nc1nccs1)C2CCCN(C2)C(=O)c3cnn(c3n4cccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K20 compound treatment 0.477 0.0454 2.17 0.461 0.0192 1.16 2.3488 0.9567 3121820 ChemDiv3_011504 Fc1ccc(cc1)n2nnc3c(SCC(=O)N4CCCc5ccccc45)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K21 compound treatment 0.426 -0.00556 -0.27 0.438 -0.00381 -0.23 -0.3496 -0.9974 3034716 ChemDiv3_011505 CC(C(=O)N1CCCCC1)n2c3ccccc3c4cnn(C)c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K22 compound treatment 0.416 -0.0156 -0.74 0.428 -0.0138 -0.83 -1.1124 -0.9984 3121821 ChemDiv3_011506 CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K23 mock treatment 0.43 -0.00156 -0.07 0.439 -0.00281 -0.17 -0.1722 -0.9322 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 K24 mock treatment 0.447 0.0154 0.74 0.457 0.0152 0.91 1.1672 0.9942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L01 compound treatment 0.458 0.0264 1.26 0.448 0.00619 0.37 1.1548 0.8787 3034717 ChemDiv3_011507 O=C(CCn1cccc1)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L02 compound treatment 0.443 0.0114 0.55 0.449 0.00719 0.43 0.6918 0.9935 3121822 ChemDiv3_011508 CCCN(CCC)CCCn1cnc2c3cc(F)ccc3[nH]c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L03 compound treatment 0.449 0.0174 0.83 0.451 0.00919 0.55 0.9792 0.9805 3034718 ChemDiv3_011509 CC1(C)N=C(C(=O)N1CC(=O)Nc2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L04 compound treatment 0.436 0.00444 0.21 0.442 1.94E-4 0.01 0.1578 0.7449 3121823 ChemDiv3_011510 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2nc3cc(C)ccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L05 compound treatment 0.448 0.0164 0.78 0.456 0.0142 0.85 1.1584 0.9991 3034719 ChemDiv3_011511 COc1ccc(cc1)c2nc(CNS(=O)(=O)c3ccc(NC(=O)C)cc3)cs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L06 compound treatment 0.566 0.134 6.41 0.557 0.115 6.94 9.4359 0.9992 3121824 ChemDiv3_011512 Cc1ccc2[nH]c(SCc3c(C)c(C)cc(C)c3C)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L07 compound treatment 0.443 0.0114 0.55 0.448 0.00619 0.37 0.6492 0.9828 3121825 ChemDiv3_011513 Cc1nc(CCNC(=O)c2ccccc2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L08 compound treatment 0.431 -5.63E-4 -0.03 0.442 1.94E-4 0.01 -0.0107 -0.3667 1512226 ChemDiv3_011514 Clc1ccc(CSCc2nc3ccccc3[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L09 compound treatment 0.45 0.0184 0.88 0.458 0.0162 0.98 1.3109 0.9987 3121826 ChemDiv3_011515 CCCNC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L10 compound treatment 0.499 0.0674 3.21 0.515 0.0732 4.41 5.3894 0.988 3034720 ChemDiv3_011516 Cc1ccccc1Cn2cnc3cc(C)c(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L11 compound treatment 0.448 0.0164 0.78 0.451 0.00919 0.55 0.9455 0.9855 3121827 ChemDiv3_011517 CC(C)(C)C(=O)NCc1cn2ccsc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L12 compound treatment 0.448 0.0164 0.78 0.45 0.00819 0.49 0.9029 0.9751 1125474 ChemDiv3_011518 OCc1nc2ccccc2n1Cc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L13 compound treatment 0.45 0.0184 0.88 0.459 0.0172 1.04 1.3535 0.9967 3122011 ChemDiv3_011519 Fc1ccc(cc1)N(CC(=O)Nc2ccccc2C(F)(F)F)C3=NC4CS(=O)(=O)CC4S3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L14 compound treatment 0.439 0.00744 0.35 0.444 0.00219 0.13 0.3441 0.9095 3034721 ChemDiv3_011520 Clc1ccccc1c2nc3ccccc3n2CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L15 compound treatment 0.444 0.0124 0.59 0.464 0.0222 1.34 1.3641 0.9331 3122012 ChemDiv3_011521 Cc1nc2cc(nn2c(C)c1CC(=O)NC3CCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L16 compound treatment 0.451 0.0194 0.93 0.455 0.0132 0.79 1.2169 0.9971 3034722 ChemDiv3_011522 O=C(COc1ccccc1)NCCc2nc3ccccc3n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L17 compound treatment 0.457 0.0254 1.21 0.469 0.0272 1.64 2.0152 0.9891 3122013 ChemDiv3_011523 COc1ccccc1c2nn(CCC(=O)NC3CCCC3)c4nc(C)cc(C)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L18 compound treatment 0.486 0.0544 2.6 0.478 0.0362 2.18 3.3759 0.9962 3122014 ChemDiv3_011524 Cc1ccc(OCCn2c(nc3ccccc23)C(O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L19 compound treatment 0.463 0.0314 1.5 0.476 0.0342 2.06 2.5155 0.9878 3034723 ChemDiv3_011525 CC1CCC(CC1)NC(=O)c2ccc3snnc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L20 compound treatment 0.449 0.0174 0.83 0.448 0.00619 0.37 0.8515 0.9346 1066698 ChemDiv3_011526 OC(=O)CC1NC(=O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L21 compound treatment 0.453 0.0214 1.02 0.464 0.0222 1.34 1.6675 0.9912 3122015 ChemDiv3_011527 COc1ccc(cc1OC)C2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L22 compound treatment 0.433 0.00144 0.07 0.442 1.94E-4 0.01 0.0567 0.8156 3034724 ChemDiv3_011528 Clc1ccc(nn1)N2CCCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L23 mock treatment 0.445 0.0134 0.64 0.458 0.0162 0.98 1.1424 0.9792 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 L24 mock treatment 0.433 0.00144 0.07 0.439 -0.00281 -0.17 -0.071 -0.3895 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M01 compound treatment 0.442 0.0104 0.5 0.448 0.00619 0.37 0.6155 0.9899 3034725 ChemDiv3_011529 CC1CC(=O)N(CC(=O)Nc2cccc(C)c2)c3ccccc3S1(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M02 compound treatment 0.461 0.0294 1.4 0.465 0.0232 1.4 1.9797 1.0 3122016 ChemDiv3_011530 CC1CCCC(NC(=O)CCCn2c3ccccc3c4cn[nH]c(=O)c24)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M03 compound treatment 0.443 0.0114 0.55 0.445 0.00319 0.19 0.5215 0.902 3122017 ChemDiv3_011531 CC(C)n1c(=O)c2sccc2n3c(=S)sc(c4ccccc4)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M04 compound treatment 0.448 0.0164 0.78 0.453 0.0112 0.67 1.0306 0.9972 3034886 ChemDiv3_011532 CCc1nn(C(C)C(=O)N(C)Cc2ccccc2)c(=O)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M05 compound treatment 0.491 0.0594 2.83 0.5 0.0582 3.5 4.4811 0.9945 3034888 ChemDiv3_011533 CCCN(CCC)C(=O)Cn1c(SCc2cccc(Cl)c2)nc3ccncc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M06 compound treatment 0.446 0.0144 0.69 0.448 0.00619 0.37 0.7503 0.9586 3034889 ChemDiv3_011534 CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M07 compound treatment 0.422 -0.00956 -0.46 0.424 -0.0178 -1.07 -1.0804 -0.9274 3034890 ChemDiv3_011535 CC1CC(C)CN(C1)C(=O)c2ccc(CSc3nc4ccncc4n3Cc5ccc(F)cc5)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M08 compound treatment 0.45 0.0184 0.88 0.465 0.0232 1.4 1.6089 0.9751 3034892 ChemDiv3_011536 CCn1c(cc2oc3ccccc3c12)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M09 compound treatment 0.442 0.0104 0.5 0.468 0.0262 1.58 1.467 0.8871 3122018 ChemDiv3_011537 CCOC(=O)N1CCC(CC1)NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M10 compound treatment 0.441 0.00944 0.45 0.446 0.00419 0.25 0.4967 0.9627 3034894 ChemDiv3_011538 CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M11 compound treatment 0.469 0.0374 1.78 0.474 0.0322 1.94 2.6326 0.9991 3122019 ChemDiv3_011539 CC1CCC(CC1)NC(=O)Cn2ncc3c4ccccc4n(Cc5ccccc5)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M12 compound treatment 0.432 4.37E-4 0.02 0.434 -0.00781 -0.47 -0.3176 -0.6751 3034896 ChemDiv3_011540 Cc1c(oc2ccc3OC(C)(CC(=O)c3c12)c4ccc(Cl)cc4)C(=O)NCCCN5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M13 compound treatment 0.439 0.00744 0.35 0.436 -0.00581 -0.35 0.0035 0.007 3122020 ChemDiv3_011541 CC(C)NC(=O)Cn1cc2CCCCc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M14 compound treatment 0.447 0.0154 0.74 0.449 0.00719 0.43 0.8266 0.9681 3122021 ChemDiv3_011542 COc1ccccc1NC(=O)NCc2nc(N)n(n2)C(=O)Nc3ccccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M15 compound treatment 0.44 0.00844 0.4 0.451 0.00919 0.55 0.6758 0.9877 3034897 ChemDiv3_011543 O=C(N1CCc2ccccc12)c3cnn(c3n4cccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M16 compound treatment 0.512 0.0804 3.83 0.528 0.0862 5.19 6.381 0.9889 3122022 ChemDiv3_011544 CCc1ccc(NC(=O)c2cc3CS(=O)(=O)c4ccccc4-c3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M17 compound treatment 0.438 0.00644 0.31 0.443 0.00119 0.07 0.2678 0.8497 3034958 ChemDiv3_011545 O=C(NCCCN1CCCC1)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M18 compound treatment 0.447 0.0154 0.74 0.45 0.00819 0.49 0.8692 0.9811 3034960 ChemDiv3_011546 CCOC(=O)N1CCN(CC1)C(=O)CSc2ncnc3n(Cc4ccc(F)cc4)nnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M19 compound treatment 0.429 -0.00256 -0.12 0.442 1.94E-4 0.01 -0.0781 -0.6368 3034961 ChemDiv3_011547 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M20 compound treatment 0.438 0.00644 0.31 0.451 0.00919 0.55 0.6084 0.9613 3034963 ChemDiv3_011548 Fc1ccc(cc1)n2nnc3c(SCc4ccc(cc4)C(F)(F)F)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M21 compound treatment 0.434 0.00244 0.12 0.438 -0.00381 -0.23 -0.0799 -0.3109 3034964 ChemDiv3_011549 CC(C(=O)NC1CCCC1)n2c3ccccc3c4cnn(C)c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M22 compound treatment 0.539 0.107 5.12 0.534 0.0922 5.55 7.5466 0.9992 3034966 ChemDiv3_011550 CN(C(=O)c1cc2CSc3cc(Cl)ccc3-c2s1)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M23 mock treatment 0.429 -0.00256 -0.12 0.44 -0.00181 -0.11 -0.1633 -0.9983 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 M24 mock treatment 0.442 0.0104 0.5 0.45 0.00819 0.49 0.7007 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N01 compound treatment 0.46 0.0284 1.36 0.446 0.00419 0.25 1.1371 0.8246 3122023 ChemDiv3_011551 COC(=O)c1ccccc1NC(=O)CCn2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N02 compound treatment 0.442 0.0104 0.5 0.444 0.00219 0.13 0.4452 0.8649 3034968 ChemDiv3_011552 COc1ccc2n(C)c3c(=O)n(CCc4ccc(Cl)cc4)cnc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N03 compound treatment 0.442 0.0104 0.5 0.452 0.0102 0.61 0.7858 0.9946 3122024 ChemDiv3_011553 O=C(CN1C(=O)C(=NC21CCCC2)c3ccccc3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N04 compound treatment 0.433 0.00144 0.07 0.439 -0.00281 -0.17 -0.071 -0.3895 3122025 ChemDiv3_011554 CCc1cccc(O[C@@H]2O[C@@H]3COC(O[C@H]3[C@H](O)[C@H]2NC(=O)C)c4ccccc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N05 compound treatment 0.456 0.0244 1.16 0.442 1.94E-4 0.01 0.832 0.7141 3034970 ChemDiv3_011555 COc1ccc(cc1)c2nc(CNS(=O)(=O)c3ccccc3F)cs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N06 compound treatment 0.521 0.0894 4.26 0.515 0.0732 4.41 6.1309 0.9999 3034972 ChemDiv3_011556 Cc1cc(C)c(C)c(Cn2cnc3ccccc23)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N07 compound treatment 0.444 0.0124 0.59 0.443 0.00119 0.07 0.4701 0.7871 3122026 ChemDiv3_011557 Cc1nc(CCNC(=O)Cc2ccccc2)cs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N08 compound treatment 0.463 0.0314 1.5 0.463 0.0212 1.28 1.962 0.9968 3122027 ChemDiv3_011558 COc1ccc2cc(ccc2c1)C(C)c3nc4ccccc4[nH]3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N09 compound treatment 0.434 0.00244 0.12 0.438 -0.00381 -0.23 -0.0799 -0.3109 3034973 ChemDiv3_011559 CC(C)CN(CC(C)C)C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N10 compound treatment 0.451 0.0194 0.93 0.451 0.00919 0.55 1.0466 0.9697 3122028 ChemDiv3_011560 CC(c1ccccc1)n2cnc3cc(C)c(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N11 compound treatment 0.439 0.00744 0.35 0.444 0.00219 0.13 0.3441 0.9095 3122029 ChemDiv3_011561 COc1ccc(cc1OC)C(=O)NCc2cn3ccsc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N12 compound treatment 0.432 4.37E-4 0.02 0.435 -0.00681 -0.41 -0.275 -0.6703 3034975 ChemDiv3_011562 CC(C)Cc1nc2ccccc2n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N13 compound treatment 0.442 0.0104 0.5 0.446 0.00419 0.25 0.5304 0.9506 3122030 ChemDiv3_011563 Cc1cccc(c1)N(Cc2cc(=O)n3ccccc3n2)C4=NC5CS(=O)(=O)CC5S4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N14 compound treatment 0.434 0.00244 0.12 0.441 -8.06E-4 -0.05 0.0478 0.3798 3034977 ChemDiv3_011564 CCCCn1c(nc2ccccc12)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N15 compound treatment 0.446 0.0144 0.69 0.442 1.94E-4 0.01 0.4949 0.719 3122031 ChemDiv3_011565 CCCNC(=O)Cc1c(C)nc2cc(nn2c1C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N16 compound treatment 0.42 -0.0116 -0.55 0.416 -0.0258 -1.55 -1.4884 -0.9028 3034979 ChemDiv3_011566 Cc1nc2ccccc2n1Cc3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N17 compound treatment 0.438 0.00644 0.31 0.45 0.00819 0.49 0.5658 0.9739 3122032 ChemDiv3_011567 CC1(Cc2ccccc2C(=O)O1)C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N18 compound treatment 0.433 0.00144 0.07 0.439 -0.00281 -0.17 -0.071 -0.3895 1773751 ChemDiv3_011568 OC(=O)C1CCN(CC1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N19 compound treatment 0.433 0.00144 0.07 0.445 0.00319 0.19 0.1844 0.9034 3122033 ChemDiv3_011569 O=C(NC1CCCC1)Nc2ccc3snnc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N20 compound treatment 0.438 0.00644 0.31 0.448 0.00619 0.37 0.4807 0.9953 3034982 ChemDiv3_011570 OC(=O)c1ccc(cc1)S(=O)(=O)N2CCCC3CCCCC32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N21 compound treatment 0.449 0.0174 0.83 0.456 0.0142 0.85 1.1921 0.9999 3122034 ChemDiv3_011571 CCOC(=O)CN1CSC2=C(C#N)C(CC(=O)N2C1)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N22 compound treatment 0.428 -0.00356 -0.17 0.438 -0.00381 -0.23 -0.2821 -0.9891 3122035 ChemDiv3_011572 Cc1ccc2nc3ccc(nn3c(=O)c2c1)N4CCC(Cc5ccccc5)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N23 mock treatment 0.432 4.37E-4 0.02 0.449 0.00719 0.43 0.321 0.7403 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 N24 mock treatment 0.421 -0.0106 -0.5 0.441 -8.06E-4 -0.05 -0.3904 -0.7717 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O01 compound treatment 0.437 0.00544 0.26 0.437 -0.00481 -0.29 -0.0213 -0.0549 3034983 ChemDiv3_011573 CC1CC(=O)N(Cc2ccc(F)cc2)c3ccccc3S1(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O02 compound treatment 0.448 0.0164 0.78 0.45 0.00819 0.49 0.9029 0.9751 3122036 ChemDiv3_011574 CCCNC(=O)C1CCN(CC1)c2nn3c(=O)cc(C)nc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O03 compound treatment 0.434 0.00244 0.12 0.442 1.94E-4 0.01 0.0904 0.7741 3034985 ChemDiv3_011575 CCC(Sc1nc2ccncc2[nH]1)C(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O04 compound treatment 0.445 0.0134 0.64 0.449 0.00719 0.43 0.7592 0.9818 3035023 ChemDiv3_011576 CCc1nn(C(C)C(=O)NC)c(=O)c2cc3occc3n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O05 compound treatment 0.433 0.00144 0.07 0.432 -0.00981 -0.59 -0.3691 -0.6209 3035025 ChemDiv3_011577 Clc1cccc(CSc2nc3ccncc3n2CC(=O)NCC4CCCO4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O06 compound treatment 0.471 0.0394 1.88 0.494 0.0522 3.14 3.5515 0.9698 3035026 ChemDiv3_011578 CCC(C(=O)Nc1ccccc1CC)n2nc(C)n3c(cc4cc(C)ccc43)c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O07 compound treatment 0.429 -0.00256 -0.12 0.424 -0.0178 -1.07 -0.8445 -0.7826 3035028 ChemDiv3_011579 Fc1ccc(Cn2c(SCc3ccc(cc3)C(=O)N4CCCCC4)nc5ccncc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O08 compound treatment 0.529 0.0974 4.64 0.554 0.112 6.76 8.061 0.9833 3035029 ChemDiv3_011580 CCn1c(cc2oc3ccccc3c12)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O09 compound treatment 0.481 0.0494 2.36 0.488 0.0462 2.78 3.6331 0.9966 3035031 ChemDiv3_011581 COc1cccc(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O10 compound treatment 0.513 0.0814 3.88 0.511 0.0692 4.17 5.691 0.9994 3122037 ChemDiv3_011582 CCOC(=O)c1cccc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O11 compound treatment 0.434 0.00244 0.12 0.442 1.94E-4 0.01 0.0904 0.7741 3122217 ChemDiv3_011583 Cc1ccccc1Cn2c3ccccc3c4cnn(CC(=O)N5CCCC5)c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O12 compound treatment 0.48 0.0484 2.31 0.489 0.0472 2.84 3.642 0.9947 3035034 ChemDiv3_011584 Fc1ccc(cc1)c2nc(CC(=O)Nc3ccccc3)co2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O13 compound treatment 0.435 0.00344 0.16 0.441 -8.06E-4 -0.05 0.0815 0.4771 3122218 ChemDiv3_011585 O=C(Cn1cc2CCCCc2n1)NCCCN3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O14 compound treatment 0.443 0.0114 0.55 0.455 0.0132 0.79 0.9472 0.9831 3035036 ChemDiv3_011586 Nc1nc(CNS(=O)(=O)c2ccccc2)nn1S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O15 compound treatment 0.43 -0.00156 -0.07 0.442 1.94E-4 0.01 -0.0444 -0.5893 3122219 ChemDiv3_011587 NC(=O)C1CCN(CC1)C(=O)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O16 compound treatment 0.455 0.0234 1.12 0.45 0.00819 0.49 1.1389 0.9325 3035038 ChemDiv3_011588 CN(C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O17 compound treatment 0.434 0.00244 0.12 0.433 -0.00881 -0.53 -0.2928 -0.5394 3122220 ChemDiv3_011589 CN1CCN(CCNC(=O)c2cnn(c2n3cccc3)c4ccccc4)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O18 compound treatment 0.465 0.0334 1.59 0.467 0.0252 1.52 2.1997 0.9997 3122221 ChemDiv3_011590 NC(=O)CSc1ncnc2n(Cc3ccc(F)cc3)nnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O19 compound treatment 0.423 -0.00856 -0.41 0.43 -0.0118 -0.71 -0.7913 -0.9653 3035040 ChemDiv3_011591 O=C(Cn1c2ccccc2c3cn[nH]c(=O)c13)NCc4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O20 compound treatment 0.435 0.00344 0.16 0.452 0.0102 0.61 0.5499 0.8656 3122222 ChemDiv3_011592 COc1ccc(cc1)n2nnc3c(SCC(=O)N4CCc5ccccc45)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O21 compound treatment 0.442 0.0104 0.5 0.446 0.00419 0.25 0.5304 0.9506 3122223 ChemDiv3_011593 CC(C(=O)NCc1ccco1)n2c3ccccc3c4cnn(C)c(=O)c24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O22 compound treatment 0.445 0.0134 0.64 0.441 -8.06E-4 -0.05 0.4186 0.6516 3035044 ChemDiv3_011594 COCCn1c(CCC(=O)NCc2ccc(OC)cc2)nc3cccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O23 mock treatment 0.421 -0.0106 -0.5 0.436 -0.00581 -0.35 -0.6032 -0.9841 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 O24 mock treatment 0.431 -5.63E-4 -0.03 0.451 0.00919 0.55 0.3725 0.6721 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P01 compound treatment 0.443 0.0114 0.55 0.437 -0.00481 -0.29 0.1809 0.2931 3122224 ChemDiv3_011595 O=C(CCn1cccc1)NCC2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P02 compound treatment 0.491 0.0594 2.83 0.495 0.0532 3.2 4.2682 0.9981 3122225 ChemDiv3_011596 CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)/C(=O)NCc3ccco3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P03 compound treatment 0.432 4.37E-4 0.02 0.431 -0.0108 -0.65 -0.4453 -0.6841 3035046 ChemDiv3_011597 COc1ccc(cc1)C2=NC(NC(C2)c3cc(Cl)ccc3O)c4sccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P04 compound treatment 0.436 0.00444 0.21 0.442 1.94E-4 0.01 0.1578 0.7449 3035047 ChemDiv3_011598 CC(C)OC(=O)Cn1c2ccccc2c3nc4ccccc4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P05 compound treatment 0.456 0.0244 1.16 0.456 0.0142 0.85 1.428 0.9884 3122226 ChemDiv3_011599 COc1ccc(cc1)c2nc(CNS(=O)(=O)N(C)C)cs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P06 compound treatment 0.459 0.0274 1.31 0.436 -0.00581 -0.35 0.6776 0.5005 1557138 ChemDiv3_011600 CC(C)(C)c1ccc(CSCc2nc3ccccc3[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P07 compound treatment 0.446 0.0144 0.69 0.458 0.0162 0.98 1.1761 0.9855 3035050 ChemDiv3_011601 CC(=O)NCCc1csc(n1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P08 compound treatment 0.435 0.00344 0.16 0.442 1.94E-4 0.01 0.1241 0.7555 3122227 ChemDiv3_011602 COc1ccc2cc(ccc2c1)C(C)c3nc4ccccc4n3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P09 compound treatment 0.445 0.0134 0.64 0.45 0.00819 0.49 0.8018 0.9917 3035080 ChemDiv3_011603 CN(C(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC3)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P10 compound treatment 0.43 -0.00156 -0.07 0.442 1.94E-4 0.01 -0.0444 -0.5893 3035081 ChemDiv3_011604 CCn1c(nc2ccccc12)c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P11 compound treatment 0.436 0.00444 0.21 0.449 0.00719 0.43 0.4558 0.9457 3035082 ChemDiv3_011605 Cc1csc2nc(CNC(=O)C3CCCCC3)cn12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P12 compound treatment 0.431 -5.63E-4 -0.03 0.435 -0.00681 -0.41 -0.3087 -0.7518 3035083 ChemDiv3_011606 CC(C)c1nc2ccccc2n1Cc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P13 compound treatment 0.447 0.0154 0.74 0.451 0.00919 0.55 0.9118 0.9901 3035085 ChemDiv3_011607 CCN(C1=NC2CS(=O)(=O)CC2S1)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P14 compound treatment 0.431 -5.63E-4 -0.03 0.44 -0.00181 -0.11 -0.0959 -0.8558 3035086 ChemDiv3_011608 CC(C)CCn1c(nc2ccccc12)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P15 compound treatment 0.448 0.0164 0.78 0.451 0.00919 0.55 0.9455 0.9855 3035088 ChemDiv3_011609 Cc1nn(c2nc(C)c(CCC(=O)NCCCc3ccccc3)c(C)c12)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P16 compound treatment 0.442 0.0104 0.5 0.442 1.94E-4 0.01 0.3601 0.7235 3122228 ChemDiv3_011610 Cc1cccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P17 compound treatment 0.434 0.00244 0.12 0.447 0.00519 0.31 0.3033 0.9091 3035090 ChemDiv3_011611 CSc1cccc(NC(=O)c2ccc3snnc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P18 compound treatment 0.44 0.00844 0.4 0.438 -0.00381 -0.23 0.1223 0.2643 1296436 ChemDiv3_011612 Cc1[nH]c2ccc(cc2c1C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P19 compound treatment 0.466 0.0344 1.64 0.478 0.0362 2.18 2.7017 0.9902 3122229 ChemDiv3_011613 CCOc1ccc(CCNC(=O)Nc2ccc3snnc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P20 compound treatment 0.436 0.00444 0.21 0.435 -0.00681 -0.41 -0.1402 -0.304 1243733 ChemDiv3_011614 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P21 compound treatment 0.469 0.0374 1.78 0.476 0.0342 2.06 2.7177 0.9975 3122230 ChemDiv3_011615 Cc1ccsc1CCN2CSC3=C(C#N)C(CC(=O)N3C2)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P22 compound treatment 0.432 4.37E-4 0.02 0.442 1.94E-4 0.01 0.023 0.9622 3035093 ChemDiv3_011616 CC(C)c1ccc(NCCNC2CCCCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P23 mock treatment 0.441 0.00944 0.45 0.444 0.00219 0.13 0.4115 0.8777 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2033 P24 mock treatment 0.428 -0.00356 -0.17 0.444 0.00219 0.13 -0.0267 -0.1241 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A01 compound treatment 0.452 0.0149 0.71 0.441 0.00471 0.28 0.7019 0.9191 3122231 ChemDiv3_011617 Cc1ccc2nc3ccc(NCc4ccccc4)nn3c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A02 compound treatment 0.447 0.00988 0.47 0.441 0.00471 0.28 0.5334 0.9706 3035094 ChemDiv3_011618 O=S(=O)(N1CCNCC1)c2ccc(cc2)n3cnnn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A03 compound treatment 0.441 0.00388 0.18 0.436 -2.9E-4 -0.02 0.1183 0.6373 3122232 ChemDiv3_011619 O=C(Nc1ccccc1)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A04 compound treatment 0.435 -0.00212 -0.1 0.434 -0.00229 -0.14 -0.1691 -0.9885 3035097 ChemDiv3_011620 Cc1cc(NC(=O)COCC(=O)O)ccc1n2cnnn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A05 compound treatment 0.444 0.00688 0.33 0.44 0.00371 0.22 0.3897 0.9825 3122233 ChemDiv3_011621 CCN/C(=N/c1cc(n[nH]1)c2ccccc2)/SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A06 compound treatment 0.444 0.00688 0.33 0.438 0.00171 0.1 0.3045 0.8865 3122234 ChemDiv3_011622 COc1ccc(Cc2nc3c4cnn(c5c(F)c(F)cc(F)c5F)c4ncn3n2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A07 compound treatment 0.444 0.00688 0.33 0.449 0.0127 0.77 0.7729 0.9284 3035099 ChemDiv3_011623 O=c1c(C#N)cc2c(=O)n3ccccc3nc2n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A08 compound treatment 0.567 0.13 6.19 0.541 0.105 6.3 8.8358 1.0 3122235 ChemDiv3_011624 CSc1ncc(Cl)c(n1)C(=O)Nc2nnc(SCc3ccc(F)cc3)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A09 compound treatment 0.43 -0.00712 -0.34 0.43 -0.00629 -0.38 -0.508 -0.9985 3122236 ChemDiv3_011625 COc1ccc(cc1)C(O)(CCc2ccccc2)C(CN3CCCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A10 compound treatment 0.439 0.00188 0.09 0.433 -0.00329 -0.2 -0.0769 -0.3537 3035102 ChemDiv3_011626 OCCCN1C(=O)c2oc3ccccc3c(=O)c2C14C(=O)N(CC=C)c5ccccc54 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A11 compound treatment 0.445 0.00788 0.38 0.436 -2.9E-4 -0.02 0.2531 0.6735 3122237 ChemDiv3_011627 O=S(=O)(NCC(Nc1ccccc1)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A12 compound treatment 0.446 0.00888 0.42 0.45 0.0137 0.83 0.8828 0.9518 3035104 ChemDiv3_011628 Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)c3ccccn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A13 compound treatment 0.437 -1.25E-4 -0.01 0.434 -0.00229 -0.14 -0.1017 -0.737 1127418 ChemDiv3_011629 Clc1ccc(cc1)S(=O)(=O)NC2CCCCC2N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A14 compound treatment 0.44 0.00288 0.14 0.425 -0.0113 -0.68 -0.3838 -0.5534 3035105 ChemDiv3_011630 CCCCn1c(CCNC(=O)c2ccco2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A15 compound treatment 0.501 0.0639 3.04 0.475 0.0387 2.33 3.8011 0.9913 3122238 ChemDiv3_011631 O=C(COc1ccccc1)Oc2cc(c3ccccc3)c4oc(=O)sc4c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A16 compound treatment 0.476 0.0389 1.85 0.472 0.0357 2.15 2.8307 0.9973 3122239 ChemDiv3_011632 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C#N)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A17 compound treatment 0.439 0.00188 0.09 0.442 0.00571 0.34 0.3063 0.8623 1868441 ChemDiv3_011633 COc1ccccc1NC(=O)Cc2coc3c(C)c(C)ccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A18 compound treatment 0.439 0.00188 0.09 0.447 0.0107 0.64 0.5192 0.7975 3035136 ChemDiv3_011634 CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(OC(F)(F)F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A19 compound treatment 0.448 0.0109 0.52 0.439 0.00271 0.16 0.4819 0.8868 3035138 ChemDiv3_011635 CC(=O)N1C(Sc2nc(C)cc(n2)c3ccccc3)C(=O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A20 compound treatment 0.435 -0.00212 -0.1 0.435 -0.00129 -0.08 -0.1266 -0.9914 3035140 ChemDiv3_011636 Cc1cc(C)c(C(=O)C/C(=N/O)/C(F)(F)F)c(=O)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A21 compound treatment 0.425 -0.0121 -0.58 0.422 -0.0143 -0.86 -1.0171 -0.9813 3035141 ChemDiv3_011637 CCOc1cc(cc(OCC)c1OCC)c2nc(no2)c3cc4cc(C)ccc4nc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A22 compound treatment 0.5 0.0629 3.0 0.51 0.0737 4.44 5.2575 0.9817 3035143 ChemDiv3_011638 CC(C)Oc1ccc(CNC(=O)c2oc3ccc4OC(C)(C)C=Cc4c3c2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A23 mock treatment 0.431 -0.00612 -0.29 0.44 0.00371 0.22 -0.0485 -0.132 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 A24 mock treatment 0.424 -0.0131 -0.63 0.431 -0.00529 -0.32 -0.6676 -0.951 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B01 compound treatment 0.543 0.106 5.05 0.517 0.0807 4.86 7.005 0.9998 3035144 ChemDiv3_011639 CCc1ccc(NC(=O)NC(C)c2c(sc3CCCCc23)n4cccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B02 compound treatment 0.446 0.00888 0.42 0.448 0.0117 0.71 0.7977 0.9702 3122240 ChemDiv3_011640 O=C(CCCn1sc2ccccc2c1=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B03 compound treatment 0.46 0.0229 1.09 0.461 0.0247 1.49 1.8231 0.9883 3122241 ChemDiv3_011641 CCCNC(=O)Cn1c2ccccc2c3nc(=O)cc(C)n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B04 compound treatment 0.446 0.00888 0.42 0.451 0.0147 0.89 0.9254 0.9428 3035146 ChemDiv3_011642 CCOC(=O)N1CCC(CC1)NC(=O)CCc2nc(no2)C3=CCN(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B05 compound treatment 0.534 0.0969 4.62 0.517 0.0807 4.86 6.7016 0.9997 3122242 ChemDiv3_011643 CCN1C(=O)c2ccccc2Sc3ccc(NC(=O)N4CCc5ccccc45)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B06 compound treatment 0.462 0.0249 1.19 0.453 0.0167 1.01 1.5499 0.9967 3122429 ChemDiv3_011644 CN1C(=CC(=NS1(=O)=O)c2cccs2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B07 compound treatment 0.452 0.0149 0.71 0.452 0.0157 0.95 1.1702 0.9899 3122430 ChemDiv3_011645 CC1CCCCC1NC(=O)C2CCN(Cc3cnn(c3n4cccc4)c5ccccc5)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B08 compound treatment 0.457 0.0199 0.95 0.448 0.0117 0.71 1.1685 0.9894 3035149 ChemDiv3_011646 CCOC(=O)c1cc(cn1C)S(=O)(=O)NC(C)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B09 compound treatment 0.451 0.0139 0.66 0.451 0.0147 0.89 1.094 0.9897 3035151 ChemDiv3_011647 CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NC3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B10 compound treatment 0.452 0.0149 0.71 0.447 0.0107 0.64 0.9574 0.9989 3122431 ChemDiv3_011648 CC(C)CCNS(=O)(=O)c1cc(Br)cnc1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B11 compound treatment 0.439 0.00188 0.09 0.449 0.0127 0.77 0.6043 0.7844 3122432 ChemDiv3_011649 CC1CN(C(=O)CCC(=O)N2CCC3(CC2)OCCO3)c4cc(C)ccc4O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B12 compound treatment 0.45 0.0129 0.61 0.441 0.00471 0.28 0.6345 0.9385 3035153 ChemDiv3_011650 COc1ccc(cc1)c2nnc3n(Cc4ccccc4)c(=O)c5ccccc5n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B13 compound treatment 0.497 0.0599 2.85 0.49 0.0537 3.23 4.3049 0.9981 3122433 ChemDiv3_011651 CCCNC(=O)c1[nH]c2ccccc2c1Sc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B14 compound treatment 0.449 0.0119 0.57 0.444 0.00771 0.46 0.7285 0.9951 3035156 ChemDiv3_011652 CCCCN(C)C(=O)c1noc-2c1COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B15 compound treatment 0.515 0.0779 3.71 0.506 0.0697 4.2 5.5929 0.9981 3122434 ChemDiv3_011653 COc1ccc2c(Sc3ccccc3)c([nH]c2c1)C(=O)N4CCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B16 compound treatment 0.461 0.0239 1.14 0.456 0.0197 1.19 1.6439 0.9998 3035158 ChemDiv3_011654 COc1ccc(NC(=O)c2nn(C)c-3c2COc4ccccc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B17 compound treatment 0.462 0.0249 1.19 0.469 0.0327 1.97 2.2311 0.9705 3122435 ChemDiv3_011655 CCN1CCN(CC1)C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B18 compound treatment 0.451 0.0139 0.66 0.446 0.00971 0.58 0.8811 0.9981 3035161 ChemDiv3_011656 Cc1ccn2cc(CNC(=O)c3ccccc3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B19 compound treatment 0.441 0.00388 0.18 0.44 0.00371 0.22 0.2886 0.9955 3122436 ChemDiv3_011657 CNC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B20 compound treatment 0.439 0.00188 0.09 0.439 0.00271 0.16 0.1786 0.9599 3122437 ChemDiv3_011658 O=C(CCCc1ccccc1)NCCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B21 compound treatment 0.449 0.0119 0.57 0.459 0.0227 1.37 1.3671 0.9238 3035163 ChemDiv3_011659 CCC(C)NC(=O)C(C)n1sc2ccccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B22 compound treatment 0.437 -1.25E-4 -0.01 0.437 7.1E-4 0.04 0.026 0.6027 3035198 ChemDiv3_011660 COc1ccc(OC)c(c1)S(=O)(=O)NCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B23 mock treatment 0.449 0.0119 0.57 0.444 0.00771 0.46 0.7285 0.9951 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 B24 mock treatment 0.441 0.00388 0.18 0.435 -0.00129 -0.08 0.0757 0.3777 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C01 compound treatment 0.382 -0.0551 -2.63 0.385 -0.0513 -3.09 -4.0418 -0.9968 3035199 ChemDiv3_011661 Cc1nc2cc(C)c(C)cc2n1CCCNC(=O)Nc3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C02 compound treatment 0.427 -0.0101 -0.48 0.429 -0.00729 -0.44 -0.6517 -0.9989 3035200 ChemDiv3_011662 Cc1c(oc2ccccc12)C(=O)N3CCNCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C03 compound treatment 0.42 -0.0171 -0.82 0.419 -0.0173 -1.04 -1.3134 -0.9928 1140174 ChemDiv3_011663 CC1CCc2cc(F)ccc2N1C(=O)Nc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C04 compound treatment 0.434 -0.00312 -0.15 0.434 -0.00229 -0.14 -0.2028 -0.9993 3035202 ChemDiv3_011664 CC1=C(C)CC(C(C1)C(=O)O)C(=O)Nc2ccc(c(C)c2)n3cnnn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C05 compound treatment 0.434 -0.00312 -0.15 0.488 0.0517 3.11 2.0962 0.6725 3035204 ChemDiv3_011665 CS/C(=N\c1cc(n[nH]1)c2ccccc2)/Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C06 compound treatment 0.426 -0.0111 -0.53 0.421 -0.0153 -0.92 -1.026 -0.9657 3035205 ChemDiv3_011666 O=C(Nc1noc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C07 compound treatment 0.5 0.0629 3.0 0.485 0.0487 2.93 4.1932 0.9999 3122438 ChemDiv3_011667 Cc1ccc(cc1)n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C08 compound treatment 0.496 0.0589 2.81 0.491 0.0547 3.29 4.3138 0.9968 3035207 ChemDiv3_011668 CCSc1ncc(Cl)c(n1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CC(C)OC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C09 compound treatment 0.426 -0.0111 -0.53 0.427 -0.00929 -0.56 -0.7705 -0.9996 3122439 ChemDiv3_011669 CCCCC(O)(C(CN1CCOCC1)c2ccccc2)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C10 compound treatment 0.426 -0.0111 -0.53 0.423 -0.0133 -0.8 -0.9408 -0.98 3122440 ChemDiv3_011670 CCN1C(=O)C2(N(CCO)C(=O)c3oc4ccccc4c(=O)c32)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C11 compound treatment 0.423 -0.0141 -0.67 0.422 -0.0143 -0.86 -1.0845 -0.9926 3035209 ChemDiv3_011671 CN(C)C(CNS(=O)(=O)c1ccc(C)cc1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C12 compound treatment 0.432 -0.00512 -0.24 0.434 -0.00229 -0.14 -0.2703 -0.9634 3122441 ChemDiv3_011672 O=C(/C=C/c1ccco1)N(Cc2ccccc2)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C13 compound treatment 0.444 0.00688 0.33 0.44 0.00371 0.22 0.3897 0.9825 3035211 ChemDiv3_011673 Cn1c2ccccc2c3nnc(SCCCC(=O)c4ccc(F)cc4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C14 compound treatment 0.426 -0.0111 -0.53 0.428 -0.00829 -0.5 -0.728 -0.9995 3122442 ChemDiv3_011674 O=C(NCCCc1nc2ccccc2[nH]1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C15 compound treatment 0.523 0.0859 4.09 0.509 0.0727 4.38 5.9902 0.9994 3122443 ChemDiv3_011675 CCCCC(=O)Oc1cc(c2ccccc2)c3oc(=O)sc3c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C16 compound treatment 0.423 -0.0141 -0.67 0.423 -0.0133 -0.8 -1.042 -0.9963 3035213 ChemDiv3_011676 Oc1nc(Cc2ccc(F)cc2)nc3n(CSCC(=O)Nc4ccc(F)cc4)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C17 compound treatment 0.431 -0.00612 -0.29 0.426 -0.0103 -0.62 -0.6446 -0.9411 3122444 ChemDiv3_011677 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C18 compound treatment 0.429 -0.00812 -0.39 0.429 -0.00729 -0.44 -0.5843 -0.9981 3035215 ChemDiv3_011678 FC(F)(F)Oc1ccc(NC2CCNCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C19 compound treatment 0.461 0.0239 1.14 0.461 0.0247 1.49 1.8568 0.9913 1461568 ChemDiv3_011679 COc1ccc(cc1)c2nc(NCCc3c[nH]c4cc(OC)ccc34)sc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C20 compound treatment 0.42 -0.0171 -0.82 0.42 -0.0163 -0.98 -1.2708 -0.9958 3122445 ChemDiv3_011680 CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(OC)cc23)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C21 compound treatment 0.424 -0.0131 -0.63 0.418 -0.0183 -1.1 -1.2211 -0.9641 3035217 ChemDiv3_011681 CS(=O)(=O)N(Cc1cc2ccccc2nc1O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C22 compound treatment 0.418 -0.0191 -0.91 0.419 -0.0173 -1.04 -1.3808 -0.9978 3122446 ChemDiv3_011682 COC(CNC(=O)c1oc2ccc3OC(C)(C)C=Cc3c2c1C)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C23 mock treatment 0.415 -0.0221 -1.05 0.418 -0.0183 -1.1 -1.5245 -0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 C24 mock treatment 0.426 -0.0111 -0.53 0.411 -0.0253 -1.52 -1.4517 -0.9003 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D01 compound treatment 0.495 0.0579 2.76 0.49 0.0537 3.23 4.2375 0.9969 3035219 ChemDiv3_011683 CC1CCCC(Nc2c([nH]c3c(C#N)cnn23)c4ccc(Cl)cc4)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D02 compound treatment 0.452 0.0149 0.71 0.448 0.0117 0.71 0.9999 1.0 3122447 ChemDiv3_011684 O=C(CCCn1sc2ccccc2c1=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D03 compound treatment 0.443 0.00588 0.28 0.445 0.00871 0.52 0.5688 0.9568 3122448 ChemDiv3_011685 CC(C(=O)N(C)Cc1ccccc1)n2c3ccccc3c4nc(=O)cc(C)n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D04 compound treatment 0.453 0.0159 0.76 0.452 0.0157 0.95 1.2039 0.9939 3035221 ChemDiv3_011686 Clc1cccc(c1)c2nc(nc-3c2COc4ccccc43)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D05 compound treatment 0.49 0.0529 2.52 0.483 0.0467 2.81 3.7709 0.9985 3122449 ChemDiv3_011687 Fc1ccc(cc1)N2CCN(CC2)C(=O)CSCc3cnn(c3n4cccc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D06 compound treatment 0.455 0.0179 0.85 0.449 0.0127 0.77 1.1436 0.9986 3035223 ChemDiv3_011688 Cc1cccc(NC(=O)CCC2=NS(=O)(=O)c3cc(Br)cnc3N2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D07 compound treatment 0.454 0.0169 0.8 0.454 0.0177 1.07 1.3228 0.9903 3122450 ChemDiv3_011689 CCOC(=O)N1CCC(CC1)NC(=O)c2oc3CCc4cn[nH]c4-c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D08 compound treatment 0.444 0.00688 0.33 0.44 0.00371 0.22 0.3897 0.9825 3035257 ChemDiv3_011690 CCOC(=O)c1cc(cn1C)S(=O)(=O)Nc2cccc(c2)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D09 compound treatment 0.506 0.0689 3.28 0.482 0.0457 2.75 4.2677 0.9962 3035258 ChemDiv3_011691 CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1Nc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D10 compound treatment 0.442 0.00488 0.23 0.445 0.00871 0.52 0.5351 0.933 3035260 ChemDiv3_011692 Nc1ncc(Br)cc1S(=O)(=O)NCCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D11 compound treatment 0.441 0.00388 0.18 0.441 0.00471 0.28 0.3311 0.9784 3035261 ChemDiv3_011693 CC1CN(C(=O)CCC(=O)N2CCC(CC2)C(=O)N)c3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D12 compound treatment 0.439 0.00188 0.09 0.442 0.00571 0.34 0.3063 0.8623 3035262 ChemDiv3_011694 O=c1n(Cc2ccccc2)c3nnc(c4ccsc4)n3c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D13 compound treatment 0.486 0.0489 2.33 0.483 0.0467 2.81 3.6361 0.9956 3035264 ChemDiv3_011695 Clc1ccc(Sc2c([nH]c3ccccc23)C(=O)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D14 compound treatment 0.506 0.0689 3.28 0.476 0.0397 2.39 4.0122 0.9879 3035265 ChemDiv3_011696 O=C(N1CCC2(CC1)OCCO2)c3noc-4c3COc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D15 compound treatment 0.451 0.0139 0.66 0.446 0.00971 0.58 0.8811 0.9981 3122451 ChemDiv3_011697 COc1ccc2c(Sc3ccccc3)c([nH]c2c1)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D16 compound treatment 0.44 0.00288 0.14 0.44 0.00371 0.22 0.2548 0.9725 3035267 ChemDiv3_011698 CN(CCC#N)C(=O)c1nn(C)c-2c1COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D17 compound treatment 0.456 0.0189 0.9 0.454 0.0177 1.07 1.3902 0.9964 3122452 ChemDiv3_011699 Cc1nn(CC(=O)NCc2ccc3OCOc3c2)c(=O)c4c5ccccc5sc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D18 compound treatment 0.446 0.00888 0.42 0.444 0.00771 0.46 0.6274 0.9989 3122453 ChemDiv3_011700 CCOc1ccc(CC(=O)NCc2cn3ccc(C)cc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D19 compound treatment 0.49 0.0529 2.52 0.495 0.0587 3.53 4.2818 0.9863 3035269 ChemDiv3_011701 CCc1ccc(NC(=O)Cn2ncn3cccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D20 compound treatment 0.437 -1.25E-4 -0.01 0.435 -0.00129 -0.08 -0.0591 -0.7591 3122454 ChemDiv3_011702 Cc1ccn2cc(CCNC(=O)CC(C)(C)C)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D21 compound treatment 0.429 -0.00812 -0.39 0.43 -0.00629 -0.38 -0.5417 -0.9999 3035272 ChemDiv3_011703 CC(C(=O)NC1CCCC1)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D22 compound treatment 0.431 -0.00612 -0.29 0.433 -0.00329 -0.2 -0.3465 -0.9821 3122455 ChemDiv3_011704 Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D23 mock treatment 0.436 -0.00112 -0.05 0.431 -0.00529 -0.32 -0.2632 -0.8147 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 D24 mock treatment 0.428 -0.00912 -0.43 0.429 -0.00729 -0.44 -0.618 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E01 compound treatment 0.447 0.00988 0.47 0.442 0.00571 0.34 0.576 0.9881 3122456 ChemDiv3_011705 CC1CCCN(C1)c2ccc3nc4ccccc4c(=O)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E02 compound treatment 0.443 0.00588 0.28 0.447 0.0107 0.64 0.654 0.9303 3035274 ChemDiv3_011706 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCNCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E03 compound treatment 0.445 0.00788 0.38 0.449 0.0127 0.77 0.8066 0.9463 3122641 ChemDiv3_011707 CC1CN(CCN1c2cccc(C)c2)C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E04 compound treatment 0.442 0.00488 0.23 0.449 0.0127 0.77 0.7054 0.8821 3035276 ChemDiv3_011708 CC(C)c1ccc(NC(=O)NN2CCOCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E05 compound treatment 0.435 -0.00212 -0.1 0.434 -0.00229 -0.14 -0.1691 -0.9885 3122642 ChemDiv3_011709 CS/C(=N\c1cc(n[nH]1)c2ccccc2)/NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E06 compound treatment 0.44 0.00288 0.14 0.442 0.00571 0.34 0.34 0.9187 3035278 ChemDiv3_011710 CC(C)(C)C(=O)Nc1noc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E07 compound treatment 0.494 0.0569 2.71 0.488 0.0517 3.11 4.1186 0.9976 3122643 ChemDiv3_011711 COCCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E08 compound treatment 0.449 0.0119 0.57 0.447 0.0107 0.64 0.8562 0.9979 3122644 ChemDiv3_011712 COc1ccc(cc1)C2C3C4CCC(C4)C3Sc5[nH]c(=S)sc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E09 compound treatment 0.441 0.00388 0.18 0.444 0.00771 0.46 0.4589 0.9184 3035280 ChemDiv3_011713 CCc1ccc(cc1)C(O)(C(CN2CCOCC2)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E10 compound treatment 0.447 0.00988 0.47 0.451 0.0147 0.89 0.9591 0.9563 3122645 ChemDiv3_011714 CC1(C)CC(=O)C(CO1)C2(O)C(=O)N(CN3CCOCC3)c4ccccc42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E11 compound treatment 0.432 -0.00512 -0.24 0.43 -0.00629 -0.38 -0.4406 -0.9775 1251385 ChemDiv3_011715 CN(C)C1CCCCC1NS(=O)(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E12 compound treatment 0.446 0.00888 0.42 0.444 0.00771 0.46 0.6274 0.9989 3122646 ChemDiv3_011716 COC(=O)C1CN(C(=O)COc2ccccc2)c3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E13 compound treatment 0.488 0.0509 2.43 0.511 0.0747 4.5 4.8956 0.958 3122647 ChemDiv3_011717 Fc1ccc(cc1)C(=O)CCCSc2nnc3c4ccccc4n(CC=C)c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E14 compound treatment 0.433 -0.00412 -0.2 0.437 7.1E-4 0.04 -0.1088 -0.5408 3035283 ChemDiv3_011718 O=C(NCCCc1nc2ccccc2n1CCCOc3ccccc3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E15 compound treatment 0.451 0.0139 0.66 0.45 0.0137 0.83 1.0514 0.994 3122648 ChemDiv3_011719 COc1ccc(cc1)c2cc(OC(=O)c3ccccc3)cc4sc(=O)oc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E16 compound treatment 0.444 0.00688 0.33 0.44 0.00371 0.22 0.3897 0.9825 3035324 ChemDiv3_011720 CS(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E17 compound treatment 0.49 0.0529 2.52 0.487 0.0507 3.05 3.9412 0.9955 3035326 ChemDiv3_011721 CCC(Sc1nnc2c3ccccc3n(CC=C)c2n1)C(=O)Nc4nnc(s4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E18 compound treatment 0.463 0.0259 1.23 0.464 0.0277 1.67 2.0519 0.989 3035327 ChemDiv3_011722 Cn1nnc2c(NCC(=O)C(C)(C)C)nc(Cc3ccc(Cl)cc3Cl)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E19 compound treatment 0.463 0.0259 1.23 0.478 0.0417 2.51 2.648 0.9464 3035329 ChemDiv3_011723 COc1cccc(c1)c2noc(n2)c3ccc(Br)o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E20 compound treatment 0.441 0.00388 0.18 0.436 -2.9E-4 -0.02 0.1183 0.6373 3035330 ChemDiv3_011724 CC(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)\n2cncn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E21 compound treatment 0.437 -1.25E-4 -0.01 0.431 -0.00529 -0.32 -0.2294 -0.7202 3035332 ChemDiv3_011725 CN(Cc1cc2ccccc2nc1O)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E22 compound treatment 0.465 0.0279 1.33 0.479 0.0427 2.57 2.758 0.9528 3035333 ChemDiv3_011726 CCN(c1nnc(NC(=O)Nc2ccc(CC)cc2)s1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E23 mock treatment 0.428 -0.00912 -0.43 0.435 -0.00129 -0.08 -0.3625 -0.8204 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 E24 mock treatment 0.436 -0.00112 -0.05 0.439 0.00271 0.16 0.0774 0.4509 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F01 compound treatment 0.459 0.0219 1.04 0.455 0.0187 1.13 1.5339 0.9993 3122649 ChemDiv3_011727 CCC1N(CCn2c(C)ccc12)C(=O)NC3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F02 compound treatment 0.478 0.0409 1.95 0.478 0.0417 2.51 3.1536 0.9921 3035336 ChemDiv3_011728 CCc1ccccc1NC(=O)CCCn2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F03 compound treatment 0.448 0.0109 0.52 0.447 0.0107 0.64 0.8225 0.9941 3122650 ChemDiv3_011729 CNC(=O)C(C)n1c2ccccc2c3nc(=O)cc(C)n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F04 compound treatment 0.507 0.0699 3.33 0.487 0.0507 3.05 4.5143 0.9991 3122651 ChemDiv3_011730 NC(=O)C1CCN(CC1)c2nc(c3cccc(Cl)c3)c4COc5ccccc5-c4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F05 compound treatment 0.517 0.0799 3.81 0.513 0.0767 4.62 5.9583 0.9954 3035338 ChemDiv3_011731 Brc1ccccc1NC(=O)CSCc2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F06 compound treatment 0.448 0.0109 0.52 0.447 0.0107 0.64 0.8225 0.9941 3035340 ChemDiv3_011732 COC(=O)c1cc(cn1C)S(=O)(=O)N(C)C2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F07 compound treatment 0.488 0.0509 2.43 0.475 0.0387 2.33 3.3629 0.9998 3122652 ChemDiv3_011733 Cc1c(oc2CCc3cn[nH]c3-c12)C(=O)Nc4cc(C)cc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F08 compound treatment 0.45 0.0129 0.61 0.454 0.0177 1.07 1.188 0.9656 3122653 ChemDiv3_011734 CCOC(=O)c1cc(cn1C)S(=O)(=O)N(CC)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F09 compound treatment 0.461 0.0239 1.14 0.463 0.0267 1.61 1.9419 0.9857 3035342 ChemDiv3_011735 CC(NC1=NS(=O)(=O)C(=C1C)c2ccc(C)cc2)C3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F10 compound treatment 0.514 0.0769 3.66 0.503 0.0667 4.02 5.4314 0.999 3122654 ChemDiv3_011736 CC1Cc2ccccc2N1S(=O)(=O)c3cc(Br)cnc3N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F11 compound treatment 0.445 0.00788 0.38 0.444 0.00771 0.46 0.5937 0.9945 3122655 ChemDiv3_011737 CC1CN(C(=O)CCC(=O)NCc2ccco2)c3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F12 compound treatment 0.45 0.0129 0.61 0.45 0.0137 0.83 1.0177 0.9894 3035346 ChemDiv3_011738 CC(=O)Nc1ccc(cc1)c2nnc3n(Cc4ccccc4Cl)c(=O)c5ccccc5n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F13 compound treatment 0.5 0.0629 3.0 0.5 0.0637 3.84 4.8318 0.9926 3122656 ChemDiv3_011739 CCCCN(C)C(=O)c1[nH]c2ccccc2c1Sc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F14 compound treatment 0.484 0.0469 2.23 0.48 0.0437 2.63 3.441 0.9967 3122657 ChemDiv3_011740 CN(C(=O)c1noc-2c1COc3ccccc23)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F15 compound treatment 0.464 0.0269 1.28 0.46 0.0237 1.43 1.9153 0.9985 3035348 ChemDiv3_011741 COc1ccc2c(Sc3ccccc3)c([nH]c2c1)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F16 compound treatment 0.455 0.0179 0.85 0.452 0.0157 0.95 1.2714 0.9986 3122658 ChemDiv3_011742 Cn1nc(C(=O)N2CCCN(Cc3ccccc3Cl)C2)c4COc5ccccc5-c41 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F17 compound treatment 0.484 0.0469 2.23 0.48 0.0437 2.63 3.441 0.9967 3035350 ChemDiv3_011743 CCCNC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F18 compound treatment 0.455 0.0179 0.85 0.44 0.00371 0.22 0.7605 0.8633 3122659 ChemDiv3_011744 COc1ccc(CCC(=O)NCc2cn3ccc(C)cc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F19 compound treatment 0.454 0.0169 0.8 0.45 0.0137 0.83 1.1525 0.9999 3035352 ChemDiv3_011745 CC(C(=O)NCc1cccs1)n2ncn3cccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F20 compound treatment 0.447 0.00988 0.47 0.443 0.00671 0.4 0.6185 0.9971 3035393 ChemDiv3_011746 Cc1ccn2cc(CCNC(=O)C3CCCCC3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F21 compound treatment 0.48 0.0429 2.04 0.475 0.0387 2.33 3.0933 0.9979 3035395 ChemDiv3_011747 CC(C(=O)Nc1cc(C)ccc1C)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F22 compound treatment 0.447 0.00988 0.47 0.444 0.00771 0.46 0.6611 1.0 3035397 ChemDiv3_011748 CN(C)S(=O)(=O)NCc1cn2ccc(C)cc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F23 mock treatment 0.446 0.00888 0.42 0.441 0.00471 0.28 0.4997 0.9811 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 F24 mock treatment 0.439 0.00188 0.09 0.436 -2.9E-4 -0.02 0.0508 0.5582 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G01 compound treatment 0.437 -1.25E-4 -0.01 0.428 -0.00829 -0.5 -0.3572 -0.7155 3035398 ChemDiv3_011749 O=C(NC1CCCCC1)N2CCCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G02 compound treatment 0.443 0.00588 0.28 0.441 0.00471 0.28 0.3985 1.0 3035399 ChemDiv3_011750 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)n3cnnn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G03 compound treatment 0.498 0.0609 2.9 0.489 0.0527 3.17 4.2961 0.999 3035401 ChemDiv3_011751 Cc1[nH]c2c(c(nn2c(=O)c1Cc3ccccc3)C(F)(F)F)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G04 compound treatment 0.441 0.00388 0.18 0.447 0.0107 0.64 0.5866 0.8745 3035402 ChemDiv3_011752 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Nc2ccc(cc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G05 compound treatment 0.471 0.0339 1.61 0.466 0.0297 1.79 2.4067 0.9987 3035404 ChemDiv3_011753 Cc1ccc(CSc2nnc(s2)n3c(=O)c(C#N)cc4c(=O)n5ccccc5nc34)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G06 compound treatment 0.497 0.0599 2.85 0.484 0.0477 2.87 4.0495 1.0 3122660 ChemDiv3_011754 CCCCC1CCC(CC1)C(=O)N(Cc2sccc2C)C3CCS(=O)(=O)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G07 compound treatment 0.464 0.0269 1.28 0.459 0.0227 1.37 1.8728 0.9995 3035406 ChemDiv3_011755 CC(C)Cn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G08 compound treatment 0.454 0.0169 0.8 0.449 0.0127 0.77 1.1099 0.9997 3122661 ChemDiv3_011756 CCC(Sc1nc2ccccc2o1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G09 compound treatment 0.513 0.0759 3.62 0.505 0.0687 4.14 5.4829 0.9978 3122662 ChemDiv3_011757 Cc1ccc(cc1)C2=NN=C(NC(=O)CSc3ccccc3)SC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G10 compound treatment 0.477 0.0399 1.9 0.46 0.0237 1.43 2.3535 0.99 3035409 ChemDiv3_011758 O=C(CCc1nc(no1)c2ccccc2)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G11 compound treatment 0.439 0.00188 0.09 0.433 -0.00329 -0.2 -0.0769 -0.3537 1594495 ChemDiv3_011759 Cc1ccc(NC2CCCCC2NS(=O)(=O)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G12 compound treatment 0.447 0.00988 0.47 0.449 0.0127 0.77 0.874 0.9728 3035411 ChemDiv3_011760 COC(=O)C1CN(C(=O)/C=C/c2ccccc2)c3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G13 compound treatment 0.486 0.0489 2.33 0.482 0.0457 2.75 3.5935 0.9966 3122663 ChemDiv3_011761 CC(C)n1c2ccccc2c3nnc(SCCCC(=O)c4ccc(F)cc4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G14 compound treatment 0.437 -1.25E-4 -0.01 0.426 -0.0103 -0.62 -0.4423 -0.7139 3122664 ChemDiv3_011762 Cc1ccc(Nc2nc(SCc3ccccc3)nnc2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G15 compound treatment 0.476 0.0389 1.85 0.471 0.0347 2.09 2.7881 0.9982 3035413 ChemDiv3_011763 Cc1cc(C)c2c(CC(=O)Oc3ccc(Cl)cc3)coc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G16 compound treatment 0.442 0.00488 0.23 0.438 0.00171 0.1 0.2371 0.9329 3122665 ChemDiv3_011764 CC(C)c1ccc(NC(=O)NCCS(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G17 compound treatment 0.496 0.0589 2.81 0.499 0.0627 3.78 4.6544 0.9893 1302345 ChemDiv3_011765 O=C(CSC(=S)N1CCOCC1)c2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G18 compound treatment 0.452 0.0149 0.71 0.444 0.00771 0.46 0.8296 0.9789 3122666 ChemDiv3_011766 O=C1CC(=Nc2ncccc2N1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G19 compound treatment 0.473 0.0359 1.71 0.472 0.0357 2.15 2.7296 0.9936 3035417 ChemDiv3_011767 FC(F)(F)c1ccc(cc1)c2noc(n2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G20 compound treatment 0.441 0.00388 0.18 0.439 0.00271 0.16 0.246 0.9981 3122667 ChemDiv3_011768 O=C(Nc1cccs1)Nc2ccccc2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G21 compound treatment 0.433 -0.00412 -0.2 0.424 -0.0123 -0.74 -0.6623 -0.865 3035418 ChemDiv3_011769 Cc1[nH]c2nc(nn2c(=O)c1C)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G22 compound treatment 0.467 0.0299 1.42 0.472 0.0357 2.15 2.5273 0.98 3122668 ChemDiv3_011770 CCc1ccc(cc1)c2[nH]c3c(C#N)cnn3c2NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G23 mock treatment 0.423 -0.0141 -0.67 0.428 -0.00829 -0.5 -0.8291 -0.9891 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 G24 mock treatment 0.428 -0.00912 -0.43 0.43 -0.00629 -0.38 -0.5754 -0.9976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H01 compound treatment 0.453 0.0159 0.76 0.459 0.0227 1.37 1.502 0.9611 3122669 ChemDiv3_011771 Cc1cccc2n(ncc12)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H02 compound treatment 0.49 0.0529 2.52 0.472 0.0357 2.15 3.3026 0.9969 3035467 ChemDiv3_011772 Cc1ccccc1NC(=O)CCCn2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H03 compound treatment 0.457 0.0199 0.95 0.452 0.0157 0.95 1.3388 1.0 3035469 ChemDiv3_011773 CC(C(=O)Nc1c(F)c(F)cc(F)c1F)n2c3ccccc3c4nc(=O)cc(C)n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H04 compound treatment 0.43 -0.00712 -0.34 0.439 0.00271 0.16 -0.1248 -0.3312 3035471 ChemDiv3_011774 COc1ccc(OC)c(Nc2nc(c3cccc(Cl)c3)c4COc5ccccc5-c4n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H05 compound treatment 0.445 0.00788 0.38 0.434 -0.00229 -0.14 0.1679 0.4199 3035472 ChemDiv3_011775 CC(C)NC(=O)CSCc1cnn(c1n2cccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H06 compound treatment 0.438 8.75E-4 0.04 0.435 -0.00129 -0.08 -0.0254 -0.2885 3035473 ChemDiv3_011776 COC(=O)c1cc(cn1C)S(=O)(=O)NCCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H07 compound treatment 0.499 0.0619 2.95 0.497 0.0607 3.66 4.6704 0.9943 3035475 ChemDiv3_011777 COc1ccc(cc1)C2SCC(N2C(=O)Nc3ccc(C)c(C)c3)C(=O)NC4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H08 compound treatment 0.434 -0.00312 -0.15 0.439 0.00271 0.16 0.01 0.0454 3122848 ChemDiv3_011778 CCOC(=O)c1cc(cn1C)S(=O)(=O)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H09 compound treatment 0.452 0.0149 0.71 0.446 0.00971 0.58 0.9148 0.9954 3122849 ChemDiv3_011779 COc1ccc(OC)c(CCNC2=NS(=O)(=O)C(=C2C)c3ccc(C)cc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H10 compound treatment 0.428 -0.00912 -0.43 0.432 -0.00429 -0.26 -0.4902 -0.969 3035477 ChemDiv3_011780 Cc1cc(F)ccc1NS(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H11 compound treatment 0.436 -0.00112 -0.05 0.439 0.00271 0.16 0.0774 0.4509 3122850 ChemDiv3_011781 CCc1cccc(C)c1NC(=O)CCC(=O)N2CCOc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H12 compound treatment 0.428 -0.00912 -0.43 0.429 -0.00729 -0.44 -0.618 -1.0 3035479 ChemDiv3_011782 O=c1n(CCc2ccccc2)c3nnc(c4ccccc4)n3c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H13 compound treatment 0.514 0.0769 3.66 0.511 0.0747 4.5 5.772 0.9948 3122851 ChemDiv3_011783 CCCNC(=O)c1[nH]c2ccccc2c1Sc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H14 compound treatment 0.492 0.0549 2.62 0.487 0.0507 3.05 4.0087 0.997 3035482 ChemDiv3_011784 CN(C(=O)c1noc-2c1CSc3ccccc23)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H15 compound treatment 0.503 0.0659 3.14 0.496 0.0597 3.6 4.7626 0.9977 3122852 ChemDiv3_011785 CCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H16 compound treatment 0.443 0.00588 0.28 0.447 0.0107 0.64 0.654 0.9303 3122853 ChemDiv3_011786 Cn1nc(C(=O)NCCN(Cc2ccco2)C3CCCC3)c4COc5ccccc5-c41 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H17 compound treatment 0.458 0.0209 1.0 0.448 0.0117 0.71 1.2022 0.9858 3035484 ChemDiv3_011787 CC(C(=O)N(C)Cc1ccccc1)n2nc(C)c3sc4ccccc4c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H18 compound treatment 0.434 -0.00312 -0.15 0.429 -0.00729 -0.44 -0.4157 -0.8968 3122854 ChemDiv3_011788 Cc1cccn2cc(CNC(=O)c3ccccc3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H19 compound treatment 0.439 0.00188 0.09 0.44 0.00371 0.22 0.2211 0.9192 3035486 ChemDiv3_011789 O=C(Cn1sc2ccccc2c1=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H20 compound treatment 0.44 0.00288 0.14 0.426 -0.0103 -0.62 -0.3412 -0.5377 3122855 ChemDiv3_011790 Cc1ccn2cc(CCNC(=O)c3ccc(cc3)C(F)(F)F)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H21 compound treatment 0.482 0.0449 2.14 0.484 0.0477 2.87 3.5439 0.9895 3122856 ChemDiv3_011791 CC(C(=O)Nc1ccc(Br)c(C)c1)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H22 compound treatment 0.426 -0.0111 -0.53 0.429 -0.00729 -0.44 -0.6854 -0.9956 3035489 ChemDiv3_011792 Cc1cccn2cc(CNS(=O)(=O)c3cccc(F)c3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H23 mock treatment 0.438 8.75E-4 0.04 0.432 -0.00429 -0.26 -0.1532 -0.5853 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 H24 mock treatment 0.436 -0.00112 -0.05 0.428 -0.00829 -0.5 -0.3909 -0.7786 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I01 compound treatment 0.444 0.00688 0.33 0.44 0.00371 0.22 0.3897 0.9825 3122857 ChemDiv3_011793 Cc1cccc(C)c1NC(=O)NC2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I02 compound treatment 0.445 0.00788 0.38 0.442 0.00571 0.34 0.5085 0.999 3035491 ChemDiv3_011794 COc1cc(ccc1n2cnnn2)S(=O)(=O)N3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I03 compound treatment 0.503 0.0659 3.14 0.493 0.0567 3.41 4.6349 0.9991 3122858 ChemDiv3_011795 COc1ccc(cc1)c2c(C)nn3c(=O)c(Cc4ccccc4)c(C)[nH]c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I04 compound treatment 0.44 0.00288 0.14 0.439 0.00271 0.16 0.2123 0.9962 3035493 ChemDiv3_011796 Cn1ncc2c3nc(nn3cnc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I05 compound treatment 0.667 0.23 10.96 0.609 0.173 10.4 15.1016 0.9997 3122859 ChemDiv3_011797 FC(F)(F)c1cccc(c1)n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I06 compound treatment 0.441 0.00388 0.18 0.441 0.00471 0.28 0.3311 0.9784 3034374 ChemDiv3_011798 Cc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)COc3c(F)c(F)c(F)c(F)c3F)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I07 compound treatment 0.512 0.0749 3.57 0.499 0.0627 3.78 5.1937 0.9996 3034376 ChemDiv3_011799 CCCCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I08 compound treatment 0.452 0.0149 0.71 0.452 0.0157 0.95 1.1702 0.9899 3034377 ChemDiv3_011800 CC(C)Cc1nc2ccccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I09 compound treatment 0.527 0.0899 4.28 0.519 0.0827 4.98 6.5508 0.9972 3034379 ChemDiv3_011801 Cc1ccc(cc1)C2=NN=C(NC(=O)C(F)(F)F)SC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I10 compound treatment 0.444 0.00688 0.33 0.451 0.0147 0.89 0.858 0.9086 3034380 ChemDiv3_011802 CC(=O)N1C2=C(CCCC2)C(=O)NC31CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I11 compound treatment 0.443 0.00588 0.28 0.445 0.00871 0.52 0.5688 0.9568 3034381 ChemDiv3_011803 COc1ccccc1NC2CCCCC2NS(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I12 compound treatment 0.447 0.00988 0.47 0.446 0.00971 0.58 0.7462 0.9942 3034383 ChemDiv3_011804 COc1cccc(CN(C2CCS(=O)(=O)C2)C(=O)/C=C/c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I13 compound treatment 0.441 0.00388 0.18 0.445 0.00871 0.52 0.5014 0.9019 3122860 ChemDiv3_011805 Cn1c2ccccc2c3nnc(SCCCC(=O)c4ccc5OCCOc5c4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I14 compound treatment 0.45 0.0129 0.61 0.445 0.00871 0.52 0.8048 0.9969 1510276 ChemDiv3_011806 OC(=O)CC(NC(=O)C(c1ccccc1)c2ccccc2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I15 compound treatment 0.441 0.00388 0.18 0.44 0.00371 0.22 0.2886 0.9955 3034385 ChemDiv3_011807 CCc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I16 compound treatment 0.438 8.75E-4 0.04 0.434 -0.00229 -0.14 -0.068 -0.4721 3122861 ChemDiv3_011808 Fc1ccc(NC(=O)N2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I17 compound treatment 0.587 0.15 7.14 0.591 0.155 9.32 11.6387 0.9914 1374294 ChemDiv3_011809 O=C(c1c[nH]c2ccccc12)c3sc(nc3c4ccccc4)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I18 compound treatment 0.455 0.0179 0.85 0.456 0.0197 1.19 1.4417 0.9868 3122862 ChemDiv3_011810 O=C(COc1nsnc1N2CCOCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I19 compound treatment 0.498 0.0609 2.9 0.501 0.0647 3.9 4.807 0.9895 3122863 ChemDiv3_011811 CCCCN(Cc1cc2cccc(C)c2nc1O)S(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I20 compound treatment 0.442 0.00488 0.23 0.44 0.00371 0.22 0.3223 0.9998 3034389 ChemDiv3_011812 Cc1cc(NC(=O)Nc2cccs2)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I21 compound treatment 0.446 0.00888 0.42 0.447 0.0107 0.64 0.7551 0.9791 3034391 ChemDiv3_011813 Cc1[nH]c2nc(Cc3ccccc3)nn2c(=O)c1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I22 compound treatment 0.468 0.0309 1.47 0.466 0.0297 1.79 2.3056 0.9953 3122864 ChemDiv3_011814 CC1CCC(CC1)Nc2c([nH]c3c(C#N)cnn23)c4cccc(Br)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I23 mock treatment 0.434 -0.00312 -0.15 0.44 0.00371 0.22 0.0526 0.1959 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 I24 mock treatment 0.441 0.00388 0.18 0.441 0.00471 0.28 0.3311 0.9784 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J01 compound treatment 0.426 -0.0111 -0.53 0.417 -0.0193 -1.16 -1.1963 -0.9369 3122865 ChemDiv3_011815 CNC(=O)c1oc2ccc3OC4(CCCCC4)CC(=O)c3c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J02 compound treatment 0.455 0.0179 0.85 0.445 0.00871 0.52 0.9733 0.9728 3034393 ChemDiv3_011816 O=C(CCCn1sc2ccccc2c1=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J03 compound treatment 0.434 -0.00312 -0.15 0.437 7.1E-4 0.04 -0.0751 -0.4847 3122866 ChemDiv3_011817 CCC(C(=O)NC1CCCC1)n2c3ccccc3c4nc(=O)cc(C)n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J04 compound treatment 0.431 -0.00612 -0.29 0.435 -0.00129 -0.08 -0.2614 -0.8652 3034395 ChemDiv3_011818 CCN1CCN(CC1)c2nc(c3cccc(Cl)c3)c4COc5ccccc5-c4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J05 compound treatment 0.482 0.0449 2.14 0.477 0.0407 2.45 3.2458 0.9977 3122867 ChemDiv3_011819 CC1CCCC(NC(=O)CSCc2cnn(c2n3cccc3)c4ccccc4)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J06 compound treatment 0.469 0.0319 1.52 0.472 0.0357 2.15 2.5948 0.9856 3122868 ChemDiv3_011820 COC(=O)c1cc(cn1C)S(=O)(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J07 compound treatment 0.495 0.0579 2.76 0.493 0.0567 3.41 4.3652 0.9944 3034397 ChemDiv3_011821 COc1ccc(cc1)C2SCC(N2C(=O)Nc3ccc(C)c(C)c3)C(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J08 compound treatment 0.437 -1.25E-4 -0.01 0.439 0.00271 0.16 0.1112 0.6808 3122869 ChemDiv3_011822 CCOC(=O)c1cc(cn1C)S(=O)(=O)NCC2CCCO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J09 compound treatment 0.448 0.0109 0.52 0.455 0.0187 1.13 1.1631 0.938 3122870 ChemDiv3_011823 CN(Cc1ccccc1)C(=O)c2sc3nc(C)cc(C)c3c2n4cccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J10 compound treatment 0.428 -0.00912 -0.43 0.432 -0.00429 -0.26 -0.4902 -0.969 3034400 ChemDiv3_011824 CN(c1ccc(C)cc1)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J11 compound treatment 0.463 0.0259 1.23 0.456 0.0197 1.19 1.7113 0.9998 3122871 ChemDiv3_011825 CCOc1ccc(CCNC(=O)Cn2ncn3nc(cc3c2=O)c4cccs4)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J12 compound treatment 0.432 -0.00512 -0.24 0.431 -0.00529 -0.32 -0.398 -0.9914 3034456 ChemDiv3_011826 CN(CC(=O)NCc1ccccn1)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J13 compound treatment 0.437 -1.25E-4 -0.01 0.436 -2.9E-4 -0.02 -0.0166 -0.8974 3034458 ChemDiv3_011827 Cc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J14 compound treatment 0.43 -0.00712 -0.34 0.43 -0.00629 -0.38 -0.508 -0.9985 3034460 ChemDiv3_011828 CCC(C)NC(=O)c1nn(C)c-2c1COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J15 compound treatment 0.449 0.0119 0.57 0.446 0.00971 0.58 0.8137 0.9999 3034461 ChemDiv3_011829 COc1ccc2c(Sc3ccc(C)cc3)c([nH]c2c1)C(=O)NCCc4ccc(OC)c(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J16 compound treatment 0.498 0.0609 2.9 0.494 0.0577 3.47 4.5089 0.996 3034463 ChemDiv3_011830 Cc1c(sc2nc3SCC(=Nn3c(=O)c12)c4cc(O)ccc4O)C(=O)Nc5ccccc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J17 compound treatment 0.447 0.00988 0.47 0.442 0.00571 0.34 0.576 0.9881 3034465 ChemDiv3_011831 CNC(=O)C(C)n1nc(C)c2sc3ccccc3c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J18 compound treatment 0.434 -0.00312 -0.15 0.437 7.1E-4 0.04 -0.0751 -0.4847 3122872 ChemDiv3_011832 Cc1cccn2cc(CNC(=O)C(C)(C)C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J19 compound treatment 0.446 0.00888 0.42 0.446 0.00971 0.58 0.7125 0.9874 3034466 ChemDiv3_011833 O=C(Cn1sc2ccccc2c1=O)N3CCN(CC3)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J20 compound treatment 0.44 0.00288 0.14 0.435 -0.00129 -0.08 0.042 0.2664 3122873 ChemDiv3_011834 CCOc1ccccc1C(=O)NCCc2cn3ccc(C)cc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J21 compound treatment 0.44 0.00288 0.14 0.437 7.1E-4 0.04 0.1271 0.8855 3034468 ChemDiv3_011835 CNC(=O)C(C)n1sc2ccccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J22 compound treatment 0.43 -0.00712 -0.34 0.427 -0.00929 -0.56 -0.6357 -0.9714 3122874 ChemDiv3_011836 CCc1ccc(s1)S(=O)(=O)NCCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J23 mock treatment 0.432 -0.00512 -0.24 0.43 -0.00629 -0.38 -0.4406 -0.9775 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 J24 mock treatment 0.437 -1.25E-4 -0.01 0.44 0.00371 0.22 0.1537 0.688 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K01 compound treatment 0.441 0.00388 0.18 0.446 0.00971 0.58 0.544 0.8873 3122875 ChemDiv3_011837 CC1CCCC(C)N1NC(=O)Nc2c(C)cccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K02 compound treatment 0.463 0.0259 1.23 0.465 0.0287 1.73 2.0945 0.9863 3034471 ChemDiv3_011838 CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K03 compound treatment 0.523 0.0859 4.09 0.524 0.0877 5.28 6.6289 0.9921 3123052 ChemDiv3_011839 COc1ccc(cc1)c2c(C)nn3c(N)c(cnc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K04 compound treatment 0.447 0.00988 0.47 0.441 0.00471 0.28 0.5334 0.9706 3034473 ChemDiv3_011840 Cn1ncc2c3nc(Cc4ccccc4)nn3cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K05 compound treatment 0.494 0.0569 2.71 0.49 0.0537 3.23 4.2038 0.9962 3123053 ChemDiv3_011841 COc1ccc(cc1Cl)n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K06 compound treatment 0.453 0.0159 0.76 0.451 0.0147 0.89 1.1614 0.9969 3034475 ChemDiv3_011842 O=C(N(Cc1ccco1)C2CCS(=O)(=O)C2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K07 compound treatment 0.442 0.00488 0.23 0.449 0.0127 0.77 0.7054 0.8821 3123054 ChemDiv3_011843 COc1ccc(Cn2nnc3c(O)nc(nc23)C4CCCN(C4)S(=O)(=O)c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K08 compound treatment 0.484 0.0469 2.23 0.494 0.0577 3.47 4.037 0.9772 1708292 ChemDiv3_011844 CC(C)OC(=O)C(C)Oc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K09 compound treatment 0.439 0.00188 0.09 0.433 -0.00329 -0.2 -0.0769 -0.3537 3034478 ChemDiv3_011845 NC(=O)C(Cc1ccccc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K10 compound treatment 0.452 0.0149 0.71 0.452 0.0157 0.95 1.1702 0.9899 3123055 ChemDiv3_011846 O=C(N1C2=C(CCCC2)C(=O)NC31CCCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K11 compound treatment 0.44 0.00288 0.14 0.434 -0.00229 -0.14 -6.0E-4 -0.0031 3123056 ChemDiv3_011847 Brc1ccccc1NC2CCCCC2NS(=O)(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K12 compound treatment 0.453 0.0159 0.76 0.452 0.0157 0.95 1.2039 0.9939 3034480 ChemDiv3_011848 COc1ccc(cc1)c2n(cc3n(C)c(=O)n(C)c(=O)c23)c4cccc(NC(=O)C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K13 compound treatment 0.426 -0.0111 -0.53 0.426 -0.0103 -0.62 -0.8131 -0.997 3123057 ChemDiv3_011849 CCCn1c2ccccc2c3nnc(SCCCC(=O)c4ccc5OCCOc5c4)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K14 compound treatment 0.457 0.0199 0.95 0.501 0.0647 3.9 3.4249 0.8542 3034482 ChemDiv3_011850 OC(=O)CC(NC(=O)C(c1ccccc1)c2ccccc2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K15 compound treatment 0.476 0.0389 1.85 0.466 0.0297 1.79 2.5753 0.9998 3123058 ChemDiv3_011851 CCc1ccc2occ(CC(=O)Nc3sc4CCCCc4c3C(=O)OC)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K16 compound treatment 0.454 0.0169 0.8 0.451 0.0147 0.89 1.1951 0.9988 3034538 ChemDiv3_011852 CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K17 compound treatment 0.514 0.0769 3.66 0.511 0.0747 4.5 5.772 0.9948 1478592 ChemDiv3_011853 O=C(CSC(=S)N1CCOCC1)Nc2nc(cs2)c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K18 compound treatment 0.438 8.75E-4 0.04 0.441 0.00471 0.28 0.23 0.8025 3034540 ChemDiv3_011854 Oc1nsnc1N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K19 compound treatment 0.57 0.133 6.33 0.568 0.132 7.93 10.0864 0.9938 3034541 ChemDiv3_011855 CCCCn1nc(NS(=O)(=O)c2ccc(C)cc2)c3cc4cccc(C)c4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K20 compound treatment 0.443 0.00588 0.28 0.431 -0.00529 -0.32 -0.0272 -0.0641 3034543 ChemDiv3_011856 Cc1nn(CC(=O)NC2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K21 compound treatment 0.434 -0.00312 -0.15 0.432 -0.00429 -0.26 -0.288 -0.9658 3034544 ChemDiv3_011857 CCCc1cc(=O)n2ncnc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K22 compound treatment 0.427 -0.0101 -0.48 0.439 0.00271 0.16 -0.2259 -0.4434 3034546 ChemDiv3_011858 N#Cc1cnn2c(NC3CCCC3)c([nH]c12)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K23 mock treatment 0.432 -0.00512 -0.24 0.429 -0.00729 -0.44 -0.4831 -0.9617 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 K24 mock treatment 0.45 0.0129 0.61 0.453 0.0167 1.01 1.1454 0.9719 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L01 compound treatment 0.447 0.00988 0.47 0.447 0.0107 0.64 0.7888 0.988 3123059 ChemDiv3_011859 COc1cc(OC)c(NC(=O)c2oc3ccc4OC5(CCCC5)CC(=O)c4c3c2C)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L02 compound treatment 0.483 0.0459 2.19 0.481 0.0447 2.69 3.4498 0.9947 3034548 ChemDiv3_011860 O=C(CCCn1sc2ccccc2c1=O)NC3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L03 compound treatment 0.457 0.0199 0.95 0.454 0.0177 1.07 1.4239 0.9983 3123060 ChemDiv3_011861 CCC(C(=O)Nc1ccccc1CC)n2c3ccccc3c4nc(=O)cc(C)n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L04 compound treatment 0.476 0.0389 1.85 0.468 0.0317 1.91 2.6604 0.9999 3034550 ChemDiv3_011862 Clc1cccc(c1)c2nc(NCCCN3CCCC3=O)nc-4c2COc5ccccc54 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L05 compound treatment 0.445 0.00788 0.38 0.457 0.0207 1.25 1.1472 0.8809 3123061 ChemDiv3_011863 CNC(=O)CSCc1cnn(c1n2cccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L06 compound treatment 0.449 0.0119 0.57 0.448 0.0117 0.71 0.8988 0.9941 3123062 ChemDiv3_011864 COC(=O)c1cc(cn1C)S(=O)(=O)N2C(C)Cc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L07 compound treatment 0.505 0.0679 3.24 0.518 0.0817 4.92 5.7667 0.9793 3123063 ChemDiv3_011865 COc1ccccc1NC(=O)N2C(CSC2c3ccccc3C)C(=O)NCc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L08 compound treatment 0.442 0.00488 0.23 0.451 0.0147 0.89 0.7906 0.8634 3034553 ChemDiv3_011866 COc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L09 compound treatment 0.446 0.00888 0.42 0.455 0.0187 1.13 1.0957 0.9106 3034555 ChemDiv3_011867 CC1CCN(CC1)C(=O)c2sc3nc(C)cc(C)c3c2n4cccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L10 compound treatment 0.447 0.00988 0.47 0.453 0.0167 1.01 1.0443 0.9401 3123064 ChemDiv3_011868 CCN(CC)S(=O)(=O)c1cc(Br)cnc1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L11 compound treatment 0.474 0.0369 1.76 0.511 0.0747 4.5 4.4237 0.916 3123065 ChemDiv3_011869 O=C(Cn1ncn2nc(cc2c1=O)c3ccco3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L12 compound treatment 0.444 0.00688 0.33 0.444 0.00771 0.46 0.56 0.9855 3034558 ChemDiv3_011870 CN(CC(=O)NC1CCCC1)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L13 compound treatment 0.447 0.00988 0.47 0.454 0.0177 1.07 1.0868 0.9325 3123066 ChemDiv3_011871 Cc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)NCCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L14 compound treatment 0.475 0.0379 1.81 0.479 0.0427 2.57 3.095 0.985 3034559 ChemDiv3_011872 COc1ccccc1CNC(=O)c2nn(C)c-3c2COc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L15 compound treatment 0.501 0.0639 3.04 0.501 0.0647 3.9 4.9081 0.9926 3123067 ChemDiv3_011873 COc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)N(C)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L16 compound treatment 0.442 0.00488 0.23 0.438 0.00171 0.1 0.2371 0.9329 3034561 ChemDiv3_011874 O=C(NCc1cn2ccccc2n1)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L17 compound treatment 0.454 0.0169 0.8 0.462 0.0257 1.55 1.6634 0.9535 3123068 ChemDiv3_011875 CCC(C(=O)N1CCCC1)n2nc(C)c3sc4ccccc4c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L18 compound treatment 0.444 0.00688 0.33 0.439 0.00271 0.16 0.3471 0.9481 3123069 ChemDiv3_011876 Cc1cccn2cc(CNC(=O)CC3CCCC3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L19 compound treatment 0.473 0.0359 1.71 0.476 0.0397 2.39 2.8999 0.9865 3034563 ChemDiv3_011877 O=C(Cn1sc2ccccc2c1=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L20 compound treatment 0.449 0.0119 0.57 0.447 0.0107 0.64 0.8562 0.9979 3123070 ChemDiv3_011878 Cc1cccn2cc(CCNC(=O)CC3CCCCC3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L21 compound treatment 0.473 0.0359 1.71 0.462 0.0257 1.55 2.3038 0.9988 3034564 ChemDiv3_011879 CCC(C(=O)N1CCN(CC1)c2cc(C)ccc2C)n3sc4ccccc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L22 compound treatment 0.44 0.00288 0.14 0.435 -0.00129 -0.08 0.042 0.2664 3034624 ChemDiv3_011880 O=S(=O)(NCCc1cn2ccccc2n1)c3ccc4CCCCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L23 mock treatment 0.444 0.00688 0.33 0.445 0.00871 0.52 0.6026 0.9744 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 L24 mock treatment 0.448 0.0109 0.52 0.437 7.1E-4 0.04 0.3968 0.7628 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M01 compound treatment 0.436 -0.00112 -0.05 0.433 -0.00329 -0.2 -0.178 -0.8673 3034626 ChemDiv3_011881 CCOc1ccc(NC(=O)NN2C(C)CCCC2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M02 compound treatment 0.447 0.00988 0.47 0.451 0.0147 0.89 0.9591 0.9563 3034627 ChemDiv3_011882 COc1cc(ccc1n2cnnn2)S(=O)(=O)NCCc3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M03 compound treatment 0.437 -1.25E-4 -0.01 0.431 -0.00529 -0.32 -0.2294 -0.7202 3034628 ChemDiv3_011883 COc1cccc2c1oc(=O)c3c(NC(=O)C)nc4CCCCCc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M04 compound treatment 0.457 0.0199 0.95 0.449 0.0127 0.77 1.2111 0.9944 3034630 ChemDiv3_011884 Cc1cccc(C)c1OCc2nc3c4cnn(C)c4ncn3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M05 compound treatment 0.461 0.0239 1.14 0.462 0.0257 1.55 1.8994 0.9886 3034631 ChemDiv3_011885 O=c1c(C#N)cc2c(=O)n3ccccc3nc2n1CCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M06 compound treatment 0.471 0.0339 1.61 0.468 0.0317 1.91 2.4919 0.9965 1320773 ChemDiv3_011886 Cn1c(=O)[nH]c2nnc(nc2c1=O)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M07 compound treatment 0.439 0.00188 0.09 0.44 0.00371 0.22 0.2211 0.9192 3123071 ChemDiv3_011887 CCN(CC)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)c3ncccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M08 compound treatment 0.515 0.0779 3.71 0.516 0.0797 4.8 6.0186 0.9919 3034634 ChemDiv3_011888 Cc1cc(OCC(=O)N(Cc2ccco2)Cc3ccc(Cl)cc3)cc(C)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M09 compound treatment 0.44 0.00288 0.14 0.437 7.1E-4 0.04 0.1271 0.8855 3123072 ChemDiv3_011889 CN(C)C(=O)C(Cc1ccccc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M10 compound treatment 0.442 0.00488 0.23 0.447 0.0107 0.64 0.6203 0.905 3034636 ChemDiv3_011890 Clc1ccc(cc1)c2nn3c(nnc3c4ccccc24)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M11 compound treatment 0.436 -0.00112 -0.05 0.438 0.00171 0.1 0.0349 0.3004 3123073 ChemDiv3_011891 CC(C)(C)NC1CCCCC1NS(=O)(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M12 compound treatment 0.453 0.0159 0.76 0.454 0.0177 1.07 1.2891 0.9859 3034638 ChemDiv3_011892 Cn1c(=O)n(C)c2cn(c(c3ccc(cc3)C(C)(C)C)c2c1=O)c4cc(N)c(Cl)cc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M13 compound treatment 0.437 -1.25E-4 -0.01 0.439 0.00271 0.16 0.1112 0.6808 3123074 ChemDiv3_011893 Cc1nnc(SCCCC(=O)c2ccc(cc2)C(C)(C)C)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M14 compound treatment 0.442 0.00488 0.23 0.449 0.0127 0.77 0.7054 0.8821 3123075 ChemDiv3_011894 OC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M15 compound treatment 0.444 0.00688 0.33 0.447 0.0107 0.64 0.6877 0.9507 3034641 ChemDiv3_011895 Cc1cc(C)c2c(CC(=O)Nc3c(oc4ccccc34)C(=O)c5ccccc5)coc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M16 compound treatment 0.505 0.0679 3.24 0.503 0.0667 4.02 5.1281 0.9943 3123076 ChemDiv3_011896 COc1ccc(cc1)c2ccc(Nc3ccc(OC(F)(F)F)cc3)nn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M17 compound treatment 0.439 0.00188 0.09 0.437 7.1E-4 0.04 0.0934 0.9429 3123077 ChemDiv3_011897 Oc1cc(nc(SCC(=O)c2c[nH]c3ccccc23)n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M18 compound treatment 0.445 0.00788 0.38 0.456 0.0197 1.19 1.1046 0.8874 3034643 ChemDiv3_011898 Nc1nnc(CC(=O)N2CCCCC2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M19 compound treatment 0.518 0.0809 3.86 0.525 0.0887 5.34 6.5029 0.9872 3123078 ChemDiv3_011899 Cc1ccc2nc(O)c(CN(C3CCCCC3)S(=O)(=O)c4ccccc4)cc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M20 compound treatment 0.456 0.0189 0.9 0.445 0.00871 0.52 1.007 0.967 3034645 ChemDiv3_011900 CC1CCCCN1c2nnc(NC(=O)Nc3cccc(C)c3C)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M21 compound treatment 0.433 -0.00412 -0.2 0.428 -0.00829 -0.5 -0.492 -0.9171 3123258 ChemDiv3_011901 CC1(O)Cc2[nH]nc(O)c2C(C1C(=O)OCC=C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M22 compound treatment 0.451 0.0139 0.66 0.449 0.0127 0.77 1.0088 0.9974 3034647 ChemDiv3_011902 CC1CCCC(NC(=O)CCCC(=O)n2ncc3cc(C)ccc23)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M23 mock treatment 0.433 -0.00412 -0.2 0.435 -0.00129 -0.08 -0.194 -0.9175 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 M24 mock treatment 0.449 0.0119 0.57 0.446 0.00971 0.58 0.8137 0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N01 compound treatment 0.446 0.00888 0.42 0.446 0.00971 0.58 0.7125 0.9874 3123259 ChemDiv3_011903 COc1cccc(NC(=O)Cn2c3ccccc3c4nc(=O)cc(C)n24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N02 compound treatment 0.446 0.00888 0.42 0.453 0.0167 1.01 1.0106 0.9259 3123260 ChemDiv3_011904 O=C(CCCn1sc2ccccc2c1=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N03 compound treatment 0.444 0.00688 0.33 0.449 0.0127 0.77 0.7729 0.9284 3034649 ChemDiv3_011905 CCC(C(=O)NC(C)C)n1c2ccccc2c3nc(=O)cc(C)n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N04 compound treatment 0.587 0.15 7.14 0.575 0.139 8.35 10.9575 0.997 3123261 ChemDiv3_011906 CN1C(=CC(=NS1(=O)=O)c2ccc(C)cc2)C(=O)Nc3sc4CCCCc4c3C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N05 compound treatment 0.446 0.00888 0.42 0.442 0.00571 0.34 0.5422 0.9947 3034570 ChemDiv3_011907 O=C(NCc1ccccc1)C2CCN(Cc3cnn(c3n4cccc4)c5ccccc5)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N06 compound treatment 0.43 -0.00712 -0.34 0.432 -0.00429 -0.26 -0.4228 -0.9909 3034572 ChemDiv3_011908 COC(=O)c1cc(cn1C)S(=O)(=O)N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N07 compound treatment 0.443 0.00588 0.28 0.439 0.00271 0.16 0.3134 0.9669 3034573 ChemDiv3_011909 CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N08 compound treatment 0.448 0.0109 0.52 0.45 0.0137 0.83 0.9503 0.9749 3034576 ChemDiv3_011910 CN(Cc1ccccc1)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N09 compound treatment 0.436 -0.00112 -0.05 0.444 0.00771 0.46 0.2903 0.6213 3034577 ChemDiv3_011911 CNC(=O)c1sc2nc(C)cc(C)c2c1n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N10 compound treatment 0.45 0.0129 0.61 0.453 0.0167 1.01 1.1454 0.9719 3034579 ChemDiv3_011912 CCCN(c1ccccc1OC)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N11 compound treatment 0.443 0.00588 0.28 0.44 0.00371 0.22 0.356 0.9937 3034581 ChemDiv3_011913 CCNC(=O)C1CCCN(C1)c2nnc(s2)N3CCCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N12 compound treatment 0.48 0.0429 2.04 0.472 0.0357 2.15 2.9655 0.9997 3123262 ChemDiv3_011914 CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N13 compound treatment 0.45 0.0129 0.61 0.455 0.0187 1.13 1.2305 0.9592 3123263 ChemDiv3_011915 CC(NC(=O)c1[nH]c2cc(C)ccc2c1Sc3ccc(Cl)cc3)c4ccc5OCCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N14 compound treatment 0.437 -1.25E-4 -0.01 0.434 -0.00229 -0.14 -0.1017 -0.737 3034586 ChemDiv3_011916 COc1ccc(C)cc1N(C)C(=O)c2nn(C)c-3c2COc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N15 compound treatment 0.44 0.00288 0.14 0.436 -2.9E-4 -0.02 0.0845 0.612 3123264 ChemDiv3_011917 CCN1CCCC1CNC(=O)c2[nH]c3cc(OC)ccc3c2Sc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N16 compound treatment 0.438 8.75E-4 0.04 0.436 -2.9E-4 -0.02 0.0171 0.3788 3034588 ChemDiv3_011918 FC(F)(F)c1cccc(c1)C(=O)NCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N17 compound treatment 0.452 0.0149 0.71 0.447 0.0107 0.64 0.9574 0.9989 3034652 ChemDiv3_011919 CCC(C(=O)Nc1cccc(C)c1C)n2nc(C)c3sc4ccccc4c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N18 compound treatment 0.437 -1.25E-4 -0.01 0.438 0.00171 0.1 0.0686 0.6651 3034655 ChemDiv3_011920 FC(F)(F)c1cccc(c1)C(=O)NCCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N19 compound treatment 0.436 -0.00112 -0.05 0.437 7.1E-4 0.04 -0.0077 -0.1124 3034656 ChemDiv3_011921 CC(C(=O)N1CCCCCC1)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N20 compound treatment 0.434 -0.00312 -0.15 0.432 -0.00429 -0.26 -0.288 -0.9658 3034659 ChemDiv3_011922 COc1ccc(cc1F)S(=O)(=O)NCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N21 compound treatment 0.456 0.0189 0.9 0.467 0.0307 1.85 1.9437 0.9452 3034662 ChemDiv3_011923 CCC(C(=O)NCc1cccc(OC)c1OC)n2sc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N22 compound treatment 0.425 -0.0121 -0.58 0.426 -0.0103 -0.62 -0.8468 -0.9994 3034664 ChemDiv3_011924 Cc1ccn2cc(CCNS(=O)(=O)c3ccc(Cl)s3)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N23 mock treatment 0.442 0.00488 0.23 0.44 0.00371 0.22 0.3223 0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 N24 mock treatment 0.449 0.0119 0.57 0.432 -0.00429 -0.26 0.2176 0.3497 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O01 compound treatment 0.428 -0.00912 -0.43 0.431 -0.00529 -0.32 -0.5328 -0.9883 1616600 ChemDiv3_011925 O=C(NCCc1c[nH]c2ccccc12)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O02 compound treatment 0.466 0.0289 1.38 0.467 0.0307 1.85 2.2808 0.9894 3123265 ChemDiv3_011926 OC(=O)COCC(=O)Nc1ccc2c(c1)oc3ccccc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O03 compound treatment 0.431 -0.00612 -0.29 0.435 -0.00129 -0.08 -0.2614 -0.8652 3123266 ChemDiv3_011927 CS/C(=N\c1cc(n[nH]1)c2ccccc2)/NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O04 compound treatment 0.46 0.0229 1.09 0.451 0.0147 0.89 1.3973 0.9947 3034668 ChemDiv3_011928 Cc1ccc(cc1)n2ncc3c4nc(Cc5ccccc5)nn4cnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O05 compound treatment 0.444 0.00688 0.33 0.443 0.00671 0.4 0.5174 0.9946 3123267 ChemDiv3_011929 O=c1c(C#N)cc2c(=O)n3ccccc3nc2n1CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O06 compound treatment 0.444 0.00688 0.33 0.45 0.0137 0.83 0.8154 0.9181 3123268 ChemDiv3_011930 CSc1ncc(Cl)c(n1)C(=O)Nc2c(oc3ccccc23)C(=O)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O07 compound treatment 0.435 -0.00212 -0.1 0.43 -0.00629 -0.38 -0.3394 -0.8658 3034673 ChemDiv3_011931 OC(CCN1CCOCC1)(C2CCCCC2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O08 compound treatment 0.449 0.0119 0.57 0.455 0.0187 1.13 1.1968 0.9493 3123269 ChemDiv3_011932 CCCN1C(=O)C2(N(CCOC)C(=O)c3oc4ccccc4c(=O)c32)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O09 compound treatment 0.436 -0.00112 -0.05 0.439 0.00271 0.16 0.0774 0.4509 3034851 ChemDiv3_011933 O=C(Nc1ccccc1)C(Cc2ccccc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O10 compound treatment 0.365 -0.0721 -3.44 0.366 -0.0703 -4.23 -5.4238 -0.9947 3034852 ChemDiv3_011934 Oc1ccccc1c2n[nH]c3C(=O)N(Cc4ccco4)C(c23)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O11 compound treatment 0.433 -0.00412 -0.2 0.428 -0.00829 -0.5 -0.492 -0.9171 3034917 ChemDiv3_011935 O=S(=O)(NC1CCCCC1NC2CCCCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O12 compound treatment 0.442 0.00488 0.23 0.434 -0.00229 -0.14 0.0668 0.2473 3034919 ChemDiv3_011936 CC(=C)n1c(=O)n(Cc2ccc(C)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O13 compound treatment 0.424 -0.0131 -0.63 0.431 -0.00529 -0.32 -0.6676 -0.951 3034920 ChemDiv3_011937 Cc1cc2nsnc2c(c1C)S(=O)(=O)N3CCN=C3Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O14 compound treatment 0.444 0.00688 0.33 0.447 0.0107 0.64 0.6877 0.9507 3034923 ChemDiv3_011938 CC(NC(=O)C(O)(c1ccccc1)c2ccccc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O15 compound treatment 0.529 0.0919 4.38 0.524 0.0877 5.28 6.8311 0.9957 3034925 ChemDiv3_011939 CCc1ccc(NC(=O)Cc2coc3ccc(cc23)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O16 compound treatment 0.442 0.00488 0.23 0.445 0.00871 0.52 0.5351 0.933 3034926 ChemDiv3_011940 O=C(N1CCN(CC1)c2ncnc3[nH]cnc23)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O17 compound treatment 0.439 0.00188 0.09 0.435 -0.00129 -0.08 0.0083 0.0698 3034927 ChemDiv3_011941 CC1=C(SC2=NCCN12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O18 compound treatment 0.485 0.0479 2.28 0.487 0.0507 3.05 3.7727 0.9897 3034928 ChemDiv3_011942 CC1CCCCC1NS(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4ncccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O19 compound treatment 0.46 0.0229 1.09 0.462 0.0257 1.55 1.8656 0.9853 3123270 ChemDiv3_011943 CCCn1nc(NC(=O)c2cccc(Cl)c2)c3cc4cc(C)ccc4nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O20 compound treatment 0.435 -0.00212 -0.1 0.44 0.00371 0.22 0.0863 0.3519 3123271 ChemDiv3_011944 CC1CCCC(C)N1c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O21 compound treatment 0.441 0.00388 0.18 0.435 -0.00129 -0.08 0.0757 0.3777 1359944 ChemDiv3_011945 COc1ccc(cc1OC)S(=O)(=O)N2CCNCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O22 compound treatment 0.454 0.0169 0.8 0.465 0.0287 1.73 1.7911 0.9394 3123272 ChemDiv3_011946 CCc1ccc(cc1)c2[nH]c3c(C#N)cnn3c2NCCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O23 mock treatment 0.438 8.75E-4 0.04 0.435 -0.00129 -0.08 -0.0254 -0.2885 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 O24 mock treatment 0.45 0.0129 0.61 0.442 0.00571 0.34 0.6771 0.9625 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P01 compound treatment 0.453 0.0159 0.76 0.45 0.0137 0.83 1.1188 0.9991 3034934 ChemDiv3_011947 COc1ccc(CNC(=O)Cn2c3ccccc3c4nc(=O)cc(C)n24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P02 compound treatment 0.434 -0.00312 -0.15 0.441 0.00471 0.28 0.0952 0.2971 3123273 ChemDiv3_011948 CN1CCC(=CC1)c2noc(CCC(=O)Nc3ccc(F)cc3F)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P03 compound treatment 0.454 0.0169 0.8 0.455 0.0187 1.13 1.3654 0.9864 3123274 ChemDiv3_011949 COc1cc2n(CC(=O)NC3CCCC(C)C3C)n4c(C)cc(=O)nc4c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P04 compound treatment 0.449 0.0119 0.57 0.448 0.0117 0.71 0.8988 0.9941 3034938 ChemDiv3_011950 CN1C(=CC(=NS1(=O)=O)c2cccs2)C(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P05 compound treatment 0.451 0.0139 0.66 0.453 0.0167 1.01 1.1791 0.9793 3123275 ChemDiv3_011951 CCc1cccc(NC(=O)C2CCN(Cc3cnn(c3n4cccc4)c5ccccc5)CC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P06 compound treatment 0.439 0.00188 0.09 0.438 0.00171 0.1 0.136 0.9975 3123276 ChemDiv3_011952 CCOC(=O)c1cc(cn1C)S(=O)(=O)N(C)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P07 compound treatment 0.445 0.00788 0.38 0.444 0.00771 0.46 0.5937 0.9945 3035307 ChemDiv3_011953 CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P08 compound treatment 0.452 0.0149 0.71 0.453 0.0167 1.01 1.2128 0.9853 3123277 ChemDiv3_011954 CC1CCN(CC1)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P09 compound treatment 0.453 0.0159 0.76 0.448 0.0117 0.71 1.0336 0.9994 3123278 ChemDiv3_011955 Cc1cc(C)c2c(c(sc2n1)C(=O)NCCCN3CCN(CC3)c4ccc(F)cc4)n5cccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P10 compound treatment 0.438 8.75E-4 0.04 0.438 0.00171 0.1 0.1023 0.9209 3035310 ChemDiv3_011956 COc1ccc(OC)c(c1)N(C)S(=O)(=O)c2cc(Br)cnc2N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P11 compound treatment 0.473 0.0359 1.71 0.466 0.0297 1.79 2.4741 0.9997 3123279 ChemDiv3_011957 Cc1ccc(Sc2c([nH]c3ccccc23)C(=O)NCc4ccco4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P12 compound treatment 0.436 -0.00112 -0.05 0.441 0.00471 0.28 0.1626 0.5634 3035313 ChemDiv3_011958 CN(Cc1ccccc1)C(=O)c2noc-3c2COc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P13 compound treatment 0.477 0.0399 1.9 0.484 0.0477 2.87 3.3753 0.9799 3123280 ChemDiv3_011959 COc1cccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc4ccc(Cl)cc4)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P14 compound treatment 0.438 8.75E-4 0.04 0.439 0.00271 0.16 0.1449 0.8602 3035317 ChemDiv3_011960 Cn1nc(C(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)c4COc5ccccc5-c41 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P15 compound treatment 0.436 -0.00112 -0.05 0.439 0.00271 0.16 0.0774 0.4509 3123281 ChemDiv3_011961 COc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(=O)NCCCN4CCN(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P16 compound treatment 0.437 -1.25E-4 -0.01 0.441 0.00471 0.28 0.1963 0.6921 3035318 ChemDiv3_011962 CCOc1ccccc1C(=O)NCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P17 compound treatment 0.448 0.0109 0.52 0.449 0.0127 0.77 0.9077 0.982 3123282 ChemDiv3_011963 Cc1nn(CCCC(=O)N2CCCC2)c(=O)c3c4ccccc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P18 compound treatment 0.429 -0.00812 -0.39 0.426 -0.0103 -0.62 -0.712 -0.9744 3123283 ChemDiv3_011964 COc1ccc(CCC(=O)NCCc2cn3ccccc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P19 compound treatment 0.447 0.00988 0.47 0.454 0.0177 1.07 1.0868 0.9325 3123284 ChemDiv3_011965 COc1ccc(NC(=O)C(C)n2sc3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P20 compound treatment 0.433 -0.00412 -0.2 0.432 -0.00429 -0.26 -0.3217 -0.9909 3120228 ChemDiv3_011966 CCc1ccc(s1)S(=O)(=O)NCc2cn3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P21 compound treatment 0.448 0.0109 0.52 0.44 0.00371 0.22 0.5245 0.9292 3035373 ChemDiv3_011967 O=C(CCCn1sc2ccccc2c1=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P22 compound treatment 0.433 -0.00412 -0.2 0.434 -0.00229 -0.14 -0.2366 -0.9849 3120229 ChemDiv3_011968 Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P23 mock treatment 0.44 0.00288 0.14 0.439 0.00271 0.16 0.2123 0.9962 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2034 P24 mock treatment 0.445 0.00788 0.38 0.444 0.00771 0.46 0.5937 0.9945 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A01 compound treatment 0.403 -0.0286 -1.36 0.396 -0.00677 -0.41 -1.2512 -0.8803 3035375 ChemDiv3_011969 CCn1c(=O)cc([nH]c1=O)N2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A02 compound treatment 0.437 0.00544 0.26 0.395 -0.00777 -0.47 -0.1477 -0.276 3120230 ChemDiv3_011970 COc1ccc(cc1)N2CCN(CCNC(=O)c3nnc(o3)c4ccc5OCOc5c4)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A03 compound treatment 0.451 0.0194 0.93 0.41 0.00723 0.44 0.9628 0.9406 3035380 ChemDiv3_011971 O=C(Nc1ccc(cc1)c2nc3cccnc3s2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A04 compound treatment 0.434 0.00244 0.12 0.395 -0.00777 -0.47 -0.2488 -0.5159 3120231 ChemDiv3_011972 CCOC(=O)N1CCC(CC1)NC(=O)c2sc3nc4CCCCn4c(=O)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A05 compound treatment 0.454 0.0224 1.07 0.408 0.00523 0.31 0.9788 0.8779 3120232 ChemDiv3_011973 O=C(NCC(N1CCN(CC1)c2ccccc2)c3cccnc3)OCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A06 compound treatment 0.435 0.00344 0.16 0.388 -0.0148 -0.89 -0.5131 -0.5673 3035384 ChemDiv3_011974 COC(=O)c1ccc(NC(=O)N2CCOc3ccc(C)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A07 compound treatment 0.426 -0.00556 -0.27 0.393 -0.00977 -0.59 -0.6036 -0.9352 3120233 ChemDiv3_011975 CCOc1ccc(NC(=O)c2cc([nH]c2C)c3ccc(F)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A08 compound treatment 0.422 -0.00956 -0.46 0.376 -0.0268 -1.61 -1.4622 -0.8728 3035387 ChemDiv3_011976 CCN1CCCC1CNC(=O)c2ccc(cc2)n3c(cc4CCCCc43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A09 compound treatment 0.461 0.0294 1.4 0.414 0.0112 0.68 1.4702 0.9439 3120234 ChemDiv3_011977 Cc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc4ccccc4)[nH]n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A10 compound treatment 0.432 4.37E-4 0.02 0.408 0.00523 0.31 0.2372 0.7523 3120235 ChemDiv3_011978 Cc1ccc(CSc2nc3ccc(cc3n2C)C(=O)NCCN4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A11 compound treatment 0.44 0.00844 0.4 0.404 0.00123 0.07 0.3366 0.8231 3035440 ChemDiv3_011979 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A12 compound treatment 0.462 0.0304 1.45 0.436 0.0332 2.0 2.4406 0.9876 3120236 ChemDiv3_011980 O=C(Cn1c(=O)c2cccn2c3ccccc13)NC4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A13 compound treatment 0.434 0.00244 0.12 0.402 -7.74E-4 -0.05 0.0492 0.393 3035442 ChemDiv3_011981 CN(C)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A14 compound treatment 0.437 0.00544 0.26 0.403 2.26E-4 0.01 0.1929 0.7432 3120237 ChemDiv3_011982 O=C(NC1CCCC1)C2CCN(CC2)c3nc4ccccc4n5cccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A15 compound treatment 0.431 -5.63E-4 -0.03 0.406 0.00323 0.19 0.1184 0.6038 3120238 ChemDiv3_011983 CCN(C(=O)c1cc(cn1C)S(=O)(=O)N2CCc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A16 compound treatment 0.442 0.0104 0.5 0.398 -0.00477 -0.29 0.1486 0.2585 3035447 ChemDiv3_011984 CCn1cc2CCc3oc(C(=O)N4CCc5ccccc5C4)c(C)c3-c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A17 compound treatment 0.486 0.0544 2.6 0.46 0.0572 3.45 4.2713 0.9902 3120239 ChemDiv3_011985 Cc1ccc(cc1)c2nsc(SCC(=O)NCc3ccc4OCOc4c3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A18 compound treatment 0.418 -0.0136 -0.65 0.373 -0.0298 -1.79 -1.7248 -0.9051 3035450 ChemDiv3_011986 O=C(N1CCCC1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A19 compound treatment 0.436 0.00444 0.21 0.396 -0.00677 -0.41 -0.1388 -0.3022 3120240 ChemDiv3_011987 COc1ccc(cc1)c2nsc(SCC(=O)N3CCCC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A20 compound treatment 0.407 -0.0246 -1.17 0.364 -0.0388 -2.33 -2.4787 -0.9491 3120241 ChemDiv3_011988 CCNC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A21 compound treatment 0.429 -0.00256 -0.12 0.391 -0.0118 -0.71 -0.5877 -0.8169 3035513 ChemDiv3_011989 O=C(Cc1noc2ccccc12)NCCOC3(CC4CC5CC(C4)C3)C5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A22 compound treatment 0.467 0.0354 1.69 0.426 0.0232 1.4 2.1833 0.9956 3120242 ChemDiv3_011990 Fc1ccc(cc1)c2cc(on2)C(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A23 mock treatment 0.426 -0.00556 -0.27 0.396 -0.00677 -0.41 -0.4759 -0.9783 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 A24 mock treatment 0.435 0.00344 0.16 0.392 -0.0108 -0.65 -0.3428 -0.5124 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B01 compound treatment 0.441 0.00944 0.45 0.419 0.0162 0.98 1.0089 0.938 3120243 ChemDiv3_011991 Fc1ccc(cc1)c2cc(on2)C(=O)N3CCN(CC3)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B02 compound treatment 0.448 0.0164 0.78 0.403 2.26E-4 0.01 0.5637 0.7193 3035520 ChemDiv3_011992 CCC(Sc1nnc(CC)n2c3ccsc3cc12)C(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B03 compound treatment 0.446 0.0144 0.69 0.415 0.0122 0.74 1.0072 0.9994 3120244 ChemDiv3_011993 O=C(Cn1cnc2c3ccccc3oc2c1=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B04 compound treatment 0.486 0.0544 2.6 0.457 0.0542 3.26 4.1436 0.9935 3035525 ChemDiv3_011994 Cc1cc2c(cc3c(SCC(=O)NCc4ccco4)nncn23)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B05 compound treatment 0.44 0.00844 0.4 0.409 0.00623 0.37 0.5495 0.9994 3120245 ChemDiv3_011995 CC1CCN(CC1)S(=O)(=O)c2ccc3NC(=O)COc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B06 compound treatment 0.463 0.0314 1.5 0.419 0.0162 0.98 1.7505 0.9785 3120246 ChemDiv3_011996 CCc1nnc(SCC(=O)N(CC=C)c2ccccc2)c3cc4oc(C)cc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B07 compound treatment 0.449 0.0174 0.83 0.405 0.00223 0.13 0.6825 0.8106 3035530 ChemDiv3_011997 Cc1cc2NC(=O)COc2cc1S(=O)(=O)NCCN3CCN(CC3)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B08 compound treatment 0.46 0.0284 1.36 0.413 0.0102 0.62 1.3939 0.9362 3120247 ChemDiv3_011998 Cc1ccc(CS(=O)Cc2ccc(o2)C(=O)NCc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B09 compound treatment 0.456 0.0244 1.16 0.412 0.00923 0.56 1.2165 0.9426 3120248 ChemDiv3_011999 O=C(CN1C(=O)CCc2ccccc12)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B10 compound treatment 0.421 -0.0106 -0.5 0.395 -0.00777 -0.47 -0.687 -0.9993 3034335 ChemDiv3_012000 C(Sc1ccc2nnc(c3ccccn3)n2n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B11 compound treatment 0.446 0.0144 0.69 0.404 0.00123 0.07 0.5388 0.7785 3120249 ChemDiv3_012001 CCCCN(C1CCN(CC1)C(=O)C)C(=O)c2cn(c3ccc(OC)cc3)c(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B12 compound treatment 0.472 0.0404 1.93 0.427 0.0242 1.46 2.3945 0.9905 3034339 ChemDiv3_012002 CCc1ccc(NC(=O)CSc2ccc(nn2)c3ccco3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B13 compound treatment 0.445 0.0134 0.64 0.41 0.00723 0.44 0.7606 0.9822 3120250 ChemDiv3_012003 CN(Cc1ccccc1)S(=O)(=O)c2ccc3NC(=O)CSc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B14 compound treatment 0.463 0.0314 1.5 0.431 0.0282 1.7 2.2614 0.998 3120251 ChemDiv3_012004 C(Sc1ccc(nn1)c2ccncc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B15 compound treatment 0.437 0.00544 0.26 0.399 -0.00377 -0.23 0.0226 0.0656 3034343 ChemDiv3_012005 CC1Sc2cc(ccc2NC1=O)S(=O)(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B16 compound treatment 0.456 0.0244 1.16 0.413 0.0102 0.62 1.2591 0.9556 3120252 ChemDiv3_012006 CCSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B17 compound treatment 0.458 0.0264 1.26 0.424 0.0212 1.28 1.7948 1.0 3120253 ChemDiv3_012007 CCCN(C(=O)c1ccc2c(=O)n3CCCCc3nc2c1)c4ccc(Cl)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B18 compound treatment 0.48 0.0484 2.31 0.434 0.0312 1.88 2.9621 0.9948 3034348 ChemDiv3_012008 COc1ccc(cc1OC)c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)s3)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B19 compound treatment 0.508 0.0764 3.64 0.488 0.0852 5.13 6.205 0.9859 3120254 ChemDiv3_012009 CN(CC(=O)N1CCc2ccccc12)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B20 compound treatment 0.438 0.00644 0.31 0.418 0.0152 0.92 0.8652 0.895 3034351 ChemDiv3_012010 COc1ccc(cc1)c2noc(CC(=O)N(C)CCC#N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B21 compound treatment 0.454 0.0224 1.07 0.422 0.0192 1.16 1.5748 0.9992 3120255 ChemDiv3_012011 CN(C(=O)CSc1nncn2c3ccsc3cc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B22 compound treatment 0.429 -0.00256 -0.12 0.406 0.00323 0.19 0.051 0.2221 3034420 ChemDiv3_012012 CC1CN(Cc2ccccc2)c3nc4n(C)c(=O)n(CC=C)c(=O)c4n3C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B23 mock treatment 0.438 0.00644 0.31 0.404 0.00123 0.07 0.2692 0.8529 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 B24 mock treatment 0.423 -0.00856 -0.41 0.398 -0.00477 -0.29 -0.4919 -0.9853 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C01 compound treatment 0.41 -0.0216 -1.03 0.387 -0.0158 -0.95 -1.3984 -0.9992 3120256 ChemDiv3_012013 CCn1c(=O)cc([nH]c1=O)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C02 compound treatment 0.453 0.0214 1.02 0.418 0.0152 0.92 1.3708 0.9985 3120423 ChemDiv3_012014 Cc1ccc(NC(=O)Cn2ccn(CCc3ccc(cc3)S(=O)(=O)N)c(=O)c2=O)cc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C03 compound treatment 0.427 -0.00456 -0.22 0.39 -0.0128 -0.77 -0.6976 -0.8728 3034424 ChemDiv3_012015 O=C(COc1ccccc1)Nc2cccc(c2)c3nc4cccnc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C04 compound treatment 0.426 -0.00556 -0.27 0.395 -0.00777 -0.47 -0.5185 -0.9638 3034426 ChemDiv3_012016 CCN(C(=O)c1cccc2C(=O)CCSc12)c3cc(Cl)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C05 compound treatment 0.429 -0.00256 -0.12 0.395 -0.00777 -0.47 -0.4174 -0.8627 3120424 ChemDiv3_012017 COc1ccc(cc1)N2CCN(CC2)C(CNC(=O)Oc3ccccc3)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C06 compound treatment 0.414 -0.0176 -0.84 0.383 -0.0198 -1.19 -1.4339 -0.9852 3120425 ChemDiv3_012018 CC1CN(C(=O)Nc2ccc(Cl)cc2)c3ccccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C07 compound treatment 0.413 -0.0186 -0.88 0.39 -0.0128 -0.77 -1.1696 -0.9976 3034431 ChemDiv3_012019 Cc1[nH]c(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C08 compound treatment 0.428 -0.00356 -0.17 0.394 -0.00877 -0.53 -0.4936 -0.8896 3120426 ChemDiv3_012020 O=C(NCCCN1CCCCC1)c2ccc(cc2)n3c(cc4CCCCc43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C09 compound treatment 0.418 -0.0136 -0.65 0.394 -0.00877 -0.53 -0.8307 -0.995 3034433 ChemDiv3_012021 Clc1ccccc1Cn2c(SCC#N)nc3nccnc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C10 compound treatment 0.426 -0.00556 -0.27 0.398 -0.00477 -0.29 -0.3908 -0.9992 3120427 ChemDiv3_012022 O=C(Cn1c(=O)c2cccn2c3ccccc13)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C11 compound treatment 0.417 -0.0146 -0.69 0.394 -0.00877 -0.53 -0.8644 -0.9909 3120428 ChemDiv3_012023 CCOC(=O)N1CCC(CC1)NS(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C12 compound treatment 0.421 -0.0106 -0.5 0.394 -0.00877 -0.53 -0.7296 -0.9997 3034437 ChemDiv3_012024 CCN1CCCC1CNC(=O)Cn2c(=O)c3cccn3c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C13 compound treatment 0.423 -0.00856 -0.41 0.391 -0.0118 -0.71 -0.7899 -0.9656 3034503 ChemDiv3_012025 Cn1c(cc2c(=O)n3ccccc3nc12)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C14 compound treatment 0.422 -0.00956 -0.46 0.389 -0.0138 -0.83 -0.9088 -0.9603 3120429 ChemDiv3_012026 CNC(=O)C1CCN(CC1)c2nc3ccccc3n4cccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C15 compound treatment 0.419 -0.0126 -0.6 0.39 -0.0128 -0.77 -0.9673 -0.9923 3120430 ChemDiv3_012027 CCCNC(=O)c1cc(cn1C)S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C16 compound treatment 0.429 -0.00256 -0.12 0.408 0.00523 0.31 0.1361 0.4033 3034507 ChemDiv3_012028 CCn1cc2CCc3oc(C(=O)NCc4cccnc4)c(C)c3-c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C17 compound treatment 0.432 4.37E-4 0.02 0.402 -7.74E-4 -0.05 -0.0182 -0.3567 3120431 ChemDiv3_012029 CCOC(=O)CSc1nc(ns1)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C18 compound treatment 0.422 -0.00956 -0.46 0.403 2.26E-4 0.01 -0.3127 -0.6857 3034510 ChemDiv3_012030 O=C(N1CCCCC1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C19 compound treatment 0.424 -0.00756 -0.36 0.399 -0.00377 -0.23 -0.4156 -0.9752 3120432 ChemDiv3_012031 COc1ccc(cc1)c2nsc(SCC(=O)N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C20 compound treatment 0.402 -0.0296 -1.41 0.376 -0.0268 -1.61 -2.1364 -0.9978 3120433 ChemDiv3_012032 O=C(NCCCN1CCCCC1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C21 compound treatment 0.442 0.0104 0.5 0.416 0.0132 0.8 0.9149 0.9744 3034513 ChemDiv3_012033 CCCN(C(=O)Cc1noc2ccc(C)cc12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C22 compound treatment 0.425 -0.00656 -0.31 0.398 -0.00477 -0.29 -0.4245 -0.9991 3120434 ChemDiv3_012034 CC1CCCCN1C(=O)c2cc(no2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C23 mock treatment 0.409 -0.0226 -1.08 0.387 -0.0158 -0.95 -1.4321 -0.9981 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 C24 mock treatment 0.42 -0.0116 -0.55 0.379 -0.0238 -1.43 -1.4019 -0.914 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D01 compound treatment 0.447 0.0154 0.74 0.43 0.0272 1.64 1.6795 0.9347 3034517 ChemDiv3_012035 CC(C)(CO)NC(=O)c1cc(no1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D02 compound treatment 0.505 0.0734 3.5 0.481 0.0782 4.71 5.8058 0.9893 3120435 ChemDiv3_012036 Cc1oc(nc1CSc2nncn3c4ccoc4cc23)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D03 compound treatment 0.447 0.0154 0.74 0.42 0.0172 1.04 1.2537 0.9859 3120436 ChemDiv3_012037 O=C(Cn1cnc2c3ccccc3oc2c1=O)N4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D04 compound treatment 0.512 0.0804 3.83 0.479 0.0762 4.59 5.9567 0.996 3034589 ChemDiv3_012038 Cc1cc2c(cc3c(SCc4ccccc4)nncn23)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D05 compound treatment 0.446 0.0144 0.69 0.414 0.0112 0.68 0.9646 1.0 3120437 ChemDiv3_012039 CCCNS(=O)(=O)c1ccc2NC(=O)COc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D06 compound treatment 0.427 -0.00456 -0.22 0.416 0.0132 0.8 0.4093 0.4958 3120438 ChemDiv3_012040 O=C(Cn1c(=O)c2cccn2c3cccnc13)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D07 compound treatment 0.51 0.0784 3.74 0.488 0.0852 5.13 6.2724 0.9879 3034593 ChemDiv3_012041 CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D08 compound treatment 0.54 0.108 5.17 0.503 0.1 6.03 7.9223 0.997 3120439 ChemDiv3_012042 CCOC(=O)C1=Cc2sc3CCCCc3c2CS1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D09 compound treatment 0.44 0.00844 0.4 0.416 0.0132 0.8 0.8475 0.95 3120440 ChemDiv3_012043 CCc1ccc(NC(=O)CN2C(=O)CCc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D10 compound treatment 0.405 -0.0266 -1.27 0.377 -0.0258 -1.55 -1.9927 -0.9949 3034598 ChemDiv3_012044 O=C(CSc1ccc2nnc(c3ccccn3)n2n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D11 compound treatment 0.44 0.00844 0.4 0.417 0.0142 0.86 0.8901 0.9406 3120441 ChemDiv3_012045 COc1ccc(cc1)n2cc(C(=O)N3CCCN(Cc4ccccc4F)C3)c5ccccc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D12 compound treatment 0.434 0.00244 0.12 0.404 0.00123 0.07 0.1344 0.976 3034601 ChemDiv3_012046 CCOc1ccccc1NC(=O)CSc2ccc(nn2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D13 compound treatment 0.446 0.0144 0.69 0.435 0.0322 1.94 1.8587 0.9028 3120442 ChemDiv3_012047 CCc1ccc(NS(=O)(=O)c2ccc3NC(=O)CSc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D14 compound treatment 0.44 0.00844 0.4 0.423 0.0202 1.22 1.1455 0.8932 3034604 ChemDiv3_012048 NC(=O)CSc1ccc(nn1)c2ccncc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D15 compound treatment 0.438 0.00644 0.31 0.427 0.0242 1.46 1.2484 0.8375 3120443 ChemDiv3_012049 CC1Sc2cc(ccc2NC1=O)S(=O)(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D16 compound treatment 0.439 0.00744 0.35 0.431 0.0282 1.7 1.4524 0.8366 3034677 ChemDiv3_012050 Cc1ccc(cc1)C(=O)NCCc2nnc3ccc(SCC(=O)NC4CCCCC4)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D17 compound treatment 0.443 0.0114 0.55 0.431 0.0282 1.7 1.5872 0.8893 3120444 ChemDiv3_012051 O=C(N(CCC#N)c1ccccc1)c2ccc3c(=O)n4CCCCc4nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D18 compound treatment 0.442 0.0104 0.5 0.42 0.0172 1.04 1.0852 0.9434 3120445 ChemDiv3_012052 COc1ccc(OC)c(c1)S(=O)(=O)NCCc2sc(nc2C)c3ccc(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D19 compound treatment 0.49 0.0584 2.79 0.475 0.0722 4.35 5.0448 0.9768 3034682 ChemDiv3_012053 Cc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D20 compound treatment 0.428 -0.00356 -0.17 0.405 0.00223 0.13 -0.0253 -0.117 3120446 ChemDiv3_012054 CN(C1CCCCC1)S(=O)(=O)c2csc(c2)C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D21 compound treatment 0.562 0.13 6.22 0.512 0.109 6.58 9.047 0.9996 3034685 ChemDiv3_012055 C(Sc1nncn2c3ccsc3cc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D22 compound treatment 0.433 0.00144 0.07 0.397 -0.00577 -0.35 -0.1974 -0.557 3120447 ChemDiv3_012056 CC1CN(CCc2ccccc2)c3nc4n(C)c(=O)n(CC(=O)N)c(=O)c4n3C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D23 mock treatment 0.433 0.00144 0.07 0.404 0.00123 0.07 0.1006 0.9993 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 D24 mock treatment 0.434 0.00244 0.12 0.4 -0.00277 -0.17 -0.0359 -0.1767 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E01 compound treatment 0.436 0.00444 0.21 0.409 0.00623 0.37 0.4146 0.9633 3034687 ChemDiv3_012057 O=c1cc([nH]c(=O)n1C2CCCCC2)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E02 compound treatment 0.441 0.00944 0.45 0.405 0.00223 0.13 0.4129 0.8796 3120448 ChemDiv3_012058 CC1CCc2c(C1)sc3nc([nH]c(=O)c23)c4cc5ccccc5oc4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E03 compound treatment 0.43 -0.00156 -0.07 0.401 -0.00177 -0.11 -0.1282 -0.9845 3120449 ChemDiv3_012059 O=C(Nc1cccc(c1)c2nc3cccnc3s2)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E04 compound treatment 0.441 0.00944 0.45 0.411 0.00823 0.5 0.6683 0.9988 3034691 ChemDiv3_012060 CCc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E05 compound treatment 0.442 0.0104 0.5 0.465 0.0622 3.75 3.0011 0.794 3034770 ChemDiv3_012061 CS(=O)(=O)NCC(N1CCN(Cc2ccccc2)CC1)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E06 compound treatment 0.444 0.0124 0.59 0.423 0.0202 1.22 1.2803 0.9453 3120450 ChemDiv3_012062 CC1CN(C(=O)NCc2ccccc2)c3cc(C)ccc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E07 compound treatment 0.444 0.0124 0.59 0.424 0.0212 1.28 1.3229 0.939 3034773 ChemDiv3_012063 COc1ccc(cc1)c2noc(=O)n2Cc3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E08 compound treatment 0.418 -0.0136 -0.65 0.42 0.0172 1.04 0.2762 0.226 3120451 ChemDiv3_012064 CC1CCc2c(C1)cc(c3ccccc3)n2c4ccc(cc4)C(=O)NCCN5CCN(C)CC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E09 compound treatment 0.433 0.00144 0.07 0.44 0.0372 2.24 1.6333 0.7284 3034777 ChemDiv3_012065 O=c1n(CCc2ccccc2)c(SCC#N)nc3nccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E10 compound treatment 0.477 0.0454 2.17 0.471 0.0682 4.11 4.4363 0.9553 3120620 ChemDiv3_012066 COc1cccc(NC(=O)Cn2c(=O)c3cccn3c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E11 compound treatment 0.438 0.00644 0.31 0.472 0.0692 4.17 3.1643 0.7571 3120621 ChemDiv3_012067 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)NCCN3CCN(CC3)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E12 compound treatment 0.443 0.0114 0.55 0.478 0.0752 4.53 3.5882 0.7865 3034781 ChemDiv3_012068 O=C(Cn1c(=O)c2cccn2c3ccccc13)NCCCN4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E13 compound treatment 0.442 0.0104 0.5 0.475 0.0722 4.35 3.4268 0.7829 3120622 ChemDiv3_012069 Cn1c(cc2c(=O)n3ccccc3nc12)C(=O)N4COCC4(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E14 compound treatment 0.553 0.121 5.79 0.602 0.199 12.0 12.5754 0.9442 3034785 ChemDiv3_012070 CCn1cc(CCCC(=O)N2CCc3ccccc23)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E15 compound treatment 0.468 0.0364 1.74 0.527 0.124 7.48 6.5171 0.8487 3120623 ChemDiv3_012071 CCc1nnc(NC(=O)c2cc(cn2C)S(=O)(=O)N3CCc4ccccc34)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E16 compound treatment 0.446 0.0144 0.69 0.483 0.0802 4.83 3.9022 0.7998 3120624 ChemDiv3_012072 CCn1cc2CCc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c3-c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E17 compound treatment 0.484 0.0524 2.5 0.544 0.141 8.5 7.7802 0.8778 3034854 ChemDiv3_012073 Cc1ccc(cc1)c2nsc(SCC(=O)c3ccc(Cl)cc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E18 compound treatment 0.551 0.119 5.69 0.605 0.202 12.18 12.6357 0.9401 3120625 ChemDiv3_012074 O=C(NCc1ccccc1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E19 compound treatment 0.538 0.106 5.07 0.531 0.128 7.72 9.0469 0.9793 3034857 ChemDiv3_012075 COC(=O)c1ccc(CSc2nc(ns2)c3ccc(OC)cc3)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E20 compound treatment 0.514 0.0824 3.93 0.477 0.0742 4.47 5.9389 0.9979 3120626 ChemDiv3_012076 CCOc1ccc(cc1)c2cn3c(n2)sc4cc(ccc43)C(=O)N(C)Cc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E21 compound treatment 0.445 0.0134 0.64 0.427 0.0242 1.46 1.4844 0.9317 3034861 ChemDiv3_012077 COC(=O)c1sccc1NC(=O)Cc2noc3ccc(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E22 compound treatment 0.469 0.0374 1.78 0.44 0.0372 2.24 2.8468 0.9936 3120627 ChemDiv3_012078 Fc1ccc(cc1)c2cc(on2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E23 mock treatment 0.431 -5.63E-4 -0.03 0.397 -0.00577 -0.35 -0.2648 -0.7594 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 E24 mock treatment 0.436 0.00444 0.21 0.401 -0.00177 -0.11 0.074 0.3124 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F01 compound treatment 0.467 0.0354 1.69 0.438 0.0352 2.12 2.6942 0.9936 3034864 ChemDiv3_012079 Cc1cc(NC(=O)c2cc(no2)c3ccc(F)cc3)nn1CC(=O)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F02 compound treatment 0.499 0.0674 3.21 0.47 0.0672 4.05 5.1353 0.9935 3120628 ChemDiv3_012080 CCc1ccc(NC(=O)CSc2nncn3c4ccoc4cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F03 compound treatment 0.471 0.0394 1.88 0.441 0.0382 2.3 2.9568 0.995 3120629 ChemDiv3_012081 Cc1cccc(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F04 compound treatment 0.442 0.0104 0.5 0.417 0.0142 0.86 0.9575 0.9666 3034869 ChemDiv3_012082 Cc1cc2c(cc3c(SCC(=O)Nc4ccccc4F)nncn23)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F05 compound treatment 0.451 0.0194 0.93 0.481 0.0782 4.71 3.9856 0.8303 3120630 ChemDiv3_012083 CN(c1cccc(C)c1)S(=O)(=O)c2ccc3NC(=O)COc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F06 compound treatment 0.449 0.0174 0.83 0.526 0.123 7.42 5.8341 0.7814 3120631 ChemDiv3_012084 CC(C)NC(=O)Cn1c(=O)c2cccn2c3cccnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F07 compound treatment 0.482 0.0504 2.4 0.543 0.14 8.44 7.6702 0.8737 3034943 ChemDiv3_012085 COc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F08 compound treatment 0.45 0.0184 0.88 0.5 0.0972 5.85 4.7608 0.8043 3120632 ChemDiv3_012086 CCOC(=O)c1cn2CC(CC)Oc3ccc(C)c(c1=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F09 compound treatment 0.45 0.0184 0.88 0.499 0.0962 5.79 4.7183 0.8052 3034946 ChemDiv3_012087 O=C(CN1C(=O)CCc2ccccc12)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F10 compound treatment 0.441 0.00944 0.45 0.487 0.0842 5.07 3.904 0.7668 3120633 ChemDiv3_012088 N#CCSc1ccc2nnc(c3ccncc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F11 compound treatment 0.453 0.0214 1.02 0.491 0.0882 5.31 4.4788 0.828 3120634 ChemDiv3_012089 COc1cccc(c1)n2cc(C(=O)N(CC(C)C)CC(C)C)c3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F12 compound treatment 0.449 0.0174 0.83 0.502 0.0992 5.97 4.8123 0.7978 3034949 ChemDiv3_012090 O=C(CSc1ccc(nn1)c2cccs2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F13 compound treatment 0.487 0.0554 2.64 0.545 0.142 8.56 7.9239 0.8842 3120635 ChemDiv3_012091 O=C1CSc2cc(ccc2N1)S(=O)(=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F14 compound treatment 0.435 0.00344 0.16 0.492 0.0892 5.37 3.9146 0.7283 3034952 ChemDiv3_012092 O=C(CSc1ccc(nn1)c2ccncc2)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F15 compound treatment 0.455 0.0234 1.12 0.517 0.114 6.88 5.6532 0.8113 3120636 ChemDiv3_012093 CC1CN(C(=O)C)c2ccc(cc2S1)S(=O)(=O)Nc3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F16 compound treatment 0.451 0.0194 0.93 0.527 0.124 7.48 5.9441 0.7887 3120637 ChemDiv3_012094 COc1ccc(cc1)C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)cc4C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F17 compound treatment 0.546 0.114 5.46 0.574 0.171 10.31 11.1473 0.9557 3034956 ChemDiv3_012095 CC(C)CN(CC(C)C)C(=O)c1noc-2c1COc3ccc(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F18 compound treatment 0.471 0.0394 1.88 0.542 0.139 8.38 7.2568 0.8447 3120638 ChemDiv3_012096 COc1ccc(cc1OC)c2nc(C)c(CCNS(=O)(=O)c3ccc4OCCOc4c3)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F19 compound treatment 0.521 0.0894 4.26 0.579 0.176 10.61 10.5175 0.9198 3035461 ChemDiv3_012097 CN(CC(=O)N1CCC(=CC1)c2ccccc2)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F20 compound treatment 0.439 0.00744 0.35 0.498 0.0952 5.73 4.3049 0.7494 3120639 ChemDiv3_012098 CCN(CC)CCNc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F21 compound treatment 0.452 0.0204 0.97 0.431 0.0282 1.7 1.8906 0.9651 3035465 ChemDiv3_012099 CCC(Sc1nncn2c3ccsc3cc12)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F22 compound treatment 0.448 0.0164 0.78 0.431 0.0282 1.7 1.7558 0.9382 3120640 ChemDiv3_012100 FC(F)(F)c1cccc(NC(=O)Cc2nc(no2)c3cccs3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F23 mock treatment 0.436 0.00444 0.21 0.409 0.00623 0.37 0.4146 0.9633 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 F24 mock treatment 0.443 0.0114 0.55 0.419 0.0162 0.98 1.0763 0.9621 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G01 compound treatment 0.429 -0.00256 -0.12 0.406 0.00323 0.19 0.051 0.2221 3034356 ChemDiv3_012101 CCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G02 compound treatment 0.464 0.0324 1.55 0.42 0.0172 1.04 1.8268 0.9811 3120641 ChemDiv3_012102 COc1cccc2cc(c3nc4sc(C(=O)Nc5cccc(F)c5)c(C)c4c(=O)[nH]3)c(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G03 compound treatment 0.449 0.0174 0.83 0.413 0.0102 0.62 1.0231 0.9891 3034363 ChemDiv3_012103 CCC(=O)Nc1cc(ccc1C)c2nc3cccnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G04 compound treatment 0.441 0.00944 0.45 0.422 0.0192 1.16 1.1366 0.9152 3120642 ChemDiv3_012104 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G05 compound treatment 0.442 0.0104 0.5 0.468 0.0652 3.93 3.1288 0.7904 3120643 ChemDiv3_012105 O=S(=O)(NCC(N1CCN(Cc2ccccc2)CC1)c3cccnc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G06 compound treatment 0.447 0.0154 0.74 0.487 0.0842 5.07 4.1063 0.8013 3034368 ChemDiv3_012106 CC1CN(C(=O)NC2(CC3CC4CC(C3)C2)C4)c5cc(Cl)ccc5O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G07 compound treatment 0.441 0.00944 0.45 0.501 0.0982 5.91 4.5001 0.7587 3120644 ChemDiv3_012107 COc1ccc(cc1)c2noc(=O)n2CC(=O)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G08 compound treatment 0.446 0.0144 0.69 0.483 0.0802 4.83 3.9022 0.7998 3034371 ChemDiv3_012108 COC(=O)c1ccc(c2ccco2)n1CC(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G09 compound treatment 0.463 0.0314 1.5 0.495 0.0922 5.55 4.9862 0.8669 3120645 ChemDiv3_012109 CCC(Sc1nc2nccnc2c(=O)n1CCc3ccccc3)C(=O)Nc4ccc(CC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G10 compound treatment 0.457 0.0254 1.21 0.5 0.0972 5.85 4.9968 0.8358 3034438 ChemDiv3_012110 O=C(Cn1c(=O)c2cccn2c3ccccc13)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G11 compound treatment 0.44 0.00844 0.4 0.468 0.0652 3.93 3.0614 0.7755 3120646 ChemDiv3_012111 CN(Cc1ccco1)S(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G12 compound treatment 0.467 0.0354 1.69 0.488 0.0852 5.13 4.823 0.8928 3034441 ChemDiv3_012112 CCc1ccccc1NC(=O)CCn2c(=O)c3cccn3c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G13 compound treatment 0.449 0.0174 0.83 0.5 0.0972 5.85 4.7271 0.7995 3120647 ChemDiv3_012113 CCc1ccccc1NC(=O)c2cc3c(=O)n4ccccc4nc3n2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G14 compound treatment 0.436 0.00444 0.21 0.484 0.0812 4.89 3.6077 0.737 3034445 ChemDiv3_012114 CCn1cc(CCCC(=O)N2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G15 compound treatment 0.435 0.00344 0.16 0.507 0.104 6.28 4.5533 0.7253 3120809 ChemDiv3_012115 CN(Cc1ccccc1)S(=O)(=O)c2ccc3N(CCOc3c2)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G16 compound treatment 0.542 0.11 5.26 0.596 0.193 11.63 11.9491 0.9357 3120810 ChemDiv3_012116 CCOC(=O)c1ccc(NC(=O)c2oc3CCc4cn(Cc5ccc(C)cc5)nc4-c3c2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G17 compound treatment 0.449 0.0174 0.83 0.519 0.116 7.0 5.5361 0.7856 3034447 ChemDiv3_012117 Cc1cccc(c1)c2nsc(SCC(=O)N3CCCCC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G18 compound treatment 0.516 0.0844 4.03 0.583 0.18 10.85 10.5193 0.9089 3120811 ChemDiv3_012118 O=C(NC1CCCC1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G19 compound treatment 0.477 0.0454 2.17 0.542 0.139 8.38 7.4591 0.8615 3034451 ChemDiv3_012119 COc1ccc(cc1)c2nsc(SCC(=O)c3ccc(Cl)cc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G20 compound treatment 0.424 -0.00756 -0.36 0.48 0.0772 4.65 3.033 0.6503 3120812 ChemDiv3_012120 CCOc1ccc(cc1)c2cn3c(n2)sc4cc(ccc43)C(=O)N5CCN(C)CC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G21 compound treatment 0.428 -0.00356 -0.17 0.404 0.00123 0.07 -0.0679 -0.3667 3034454 ChemDiv3_012121 CCOC(=O)N1CCC(CC1)NC(=O)c2nn(C)c-3c2CS(=O)(=O)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G22 compound treatment 0.432 4.37E-4 0.02 0.413 0.0102 0.62 0.4501 0.7306 3120813 ChemDiv3_012122 Fc1ccc(cc1)c2cc(on2)C(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G23 mock treatment 0.431 -5.63E-4 -0.03 0.395 -0.00777 -0.47 -0.3499 -0.7464 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 G24 mock treatment 0.431 -5.63E-4 -0.03 0.419 0.0162 0.98 0.6718 0.6874 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H01 compound treatment 0.466 0.0344 1.64 0.445 0.0422 2.54 2.9586 0.9776 3120814 ChemDiv3_012123 CC1CCN(CC1)C(=O)Cn2nc(NC(=O)c3cc(no3)c4ccc(F)cc4)cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H02 compound treatment 0.509 0.0774 3.69 0.494 0.0912 5.49 6.4942 0.9813 3034520 ChemDiv3_012124 Cc1ccc(C)c(CSc2nncn3c4ccoc4cc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H03 compound treatment 0.443 0.0114 0.55 0.414 0.0112 0.68 0.8635 0.9943 3120815 ChemDiv3_012125 Fc1ccccc1NC(=O)Cn2cnc3c4ccccc4oc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H04 compound treatment 0.452 0.0204 0.97 0.463 0.0602 3.63 3.253 0.8664 3034526 ChemDiv3_012126 CCC(Sc1nncn2c3cc(C)oc3cc12)C(=O)NCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H05 compound treatment 0.437 0.00544 0.26 0.468 0.0652 3.93 2.9603 0.7521 3120816 ChemDiv3_012127 Cc1cc2NC(=O)COc2cc1S(=O)(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H06 compound treatment 0.439 0.00744 0.35 0.503 0.1 6.03 4.5178 0.7474 3120817 ChemDiv3_012128 CC1=C(SCCO1)C(=O)Nc2ccc(cc2)C(=O)NCc3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H07 compound treatment 0.455 0.0234 1.12 0.508 0.105 6.34 5.27 0.8192 3034532 ChemDiv3_012129 COc1cc2CCN(C(C)c2cc1OC)S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H08 compound treatment 0.434 0.00244 0.12 0.505 0.102 6.15 4.4344 0.7203 3120818 ChemDiv3_012130 NC(=N)SCc1csc2CCCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H09 compound treatment 0.481 0.0494 2.36 0.535 0.132 7.96 7.2959 0.8787 3034535 ChemDiv3_012131 Cc1cc(C)cc(NC(=O)CN2C(=O)CCc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H10 compound treatment 0.41 -0.0216 -1.03 0.465 0.0622 3.75 1.9224 0.4948 3120819 ChemDiv3_012132 CSc1ccc(nn1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H11 compound treatment 0.44 0.00844 0.4 0.514 0.111 6.7 5.0198 0.7482 3034609 ChemDiv3_012133 COc1cccc(c1)n2cc(C(=O)NCCc3ccc(cc3)S(=O)(=O)N)c4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H12 compound treatment 0.448 0.0164 0.78 0.527 0.124 7.48 5.8429 0.7769 3120820 ChemDiv3_012134 O=C(CSc1ccc(nn1)c2ccco2)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H13 compound treatment 0.441 0.00944 0.45 0.507 0.104 6.28 4.7555 0.7559 3034613 ChemDiv3_012135 CCCNS(=O)(=O)c1ccc2NC(=O)CSc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H14 compound treatment 0.418 -0.0136 -0.65 0.489 0.0862 5.19 3.2139 0.6143 3120821 ChemDiv3_012136 O=C(CSc1ccc(nn1)c2ccncc2)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H15 compound treatment 0.441 0.00944 0.45 0.489 0.0862 5.19 3.9892 0.7655 3120822 ChemDiv3_012137 CC1CN(C(=O)C)c2ccc(cc2S1)S(=O)(=O)N(C)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H16 compound treatment 0.427 -0.00456 -0.22 0.494 0.0912 5.49 3.7301 0.6786 3034616 ChemDiv3_012138 O=S(=O)(NCCc1nnc2ccc(SCc3ccccc3)nn12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H17 compound treatment 0.472 0.0404 1.93 0.55 0.147 8.86 7.6312 0.8412 3120823 ChemDiv3_012139 CCc1nnc(NC(=O)c2noc-3c2COc4ccc(C)cc34)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H18 compound treatment 0.476 0.0444 2.12 0.544 0.141 8.5 7.5105 0.8571 3034620 ChemDiv3_012140 COc1ccc(cc1)c2nc(C)c(CCNC(=O)c3cccc(c3)C(F)(F)F)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H19 compound treatment 0.507 0.0754 3.6 0.586 0.183 11.03 10.3436 0.8914 3120824 ChemDiv3_012141 Cc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H20 compound treatment 0.428 -0.00356 -0.17 0.478 0.0752 4.53 3.0826 0.6801 3120825 ChemDiv3_012142 CNc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H21 compound treatment 0.442 0.0104 0.5 0.442 0.0392 2.36 2.0219 0.8377 3034623 ChemDiv3_012143 CCC1CCCCN1C(=O)CSc2nnc(C)n3c4ccsc4cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H22 compound treatment 0.44 0.00844 0.4 0.416 0.0132 0.8 0.8475 0.95 3120826 ChemDiv3_012144 FC(F)(F)c1cccc(NC(=O)NCc2noc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H23 mock treatment 0.435 0.00344 0.16 0.416 0.0132 0.8 0.679 0.8351 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 H24 mock treatment 0.42 -0.0116 -0.55 0.403 2.26E-4 0.01 -0.3801 -0.6895 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I01 compound treatment 0.482 0.0504 2.4 0.472 0.0692 4.17 4.6474 0.9658 3035848 ChemDiv3_012145 CCC(=O)Nc1ccc(cc1)c2nc3cccnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I02 compound treatment 0.443 0.0114 0.55 0.413 0.0102 0.62 0.8209 0.9982 3035849 ChemDiv3_012146 CN1CCN(CC1)c2ccccc2NC(=O)c3sc4nc5CCCCCn5c(=O)c4c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I03 compound treatment 0.515 0.0834 3.98 0.48 0.0772 4.65 6.1004 0.997 3035850 ChemDiv3_012147 O=S(=O)(Nc1ccc(cc1)c2nc3cccnc3s2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I04 compound treatment 0.431 -5.63E-4 -0.03 0.415 0.0122 0.74 0.5015 0.6809 3035851 ChemDiv3_012148 CC1Cc2ccccc2N1S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I05 compound treatment 0.446 0.0144 0.69 0.44 0.0372 2.24 2.0715 0.8835 3035852 ChemDiv3_012149 CCCC(=O)Nc1nn2c(nnc2s1)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I06 compound treatment 0.458 0.0264 1.26 0.506 0.103 6.22 5.286 0.8335 3035853 ChemDiv3_012150 CCOC(=O)c1c(NC(=O)N2CCOc3ccc(Cl)cc23)sc4CCCCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I07 compound treatment 0.444 0.0124 0.59 0.468 0.0652 3.93 3.1962 0.8047 3035854 ChemDiv3_012151 Cc1ccccc1Cn2c(noc2=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I08 compound treatment 0.444 0.0124 0.59 0.463 0.0602 3.63 2.9833 0.8119 3120827 ChemDiv3_012152 COC(=O)c1ccc(c2ccco2)n1CC(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I09 compound treatment 0.435 0.00344 0.16 0.486 0.0832 5.01 3.6592 0.7298 3120828 ChemDiv3_012153 COc1ccc(Cl)cc1NC(=O)CSc2nc3nccnc3c(=O)n2CC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I10 compound treatment 0.495 0.0634 3.02 0.569 0.166 10.01 9.2153 0.8814 3035855 ChemDiv3_012154 Clc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I11 compound treatment 0.436 0.00444 0.21 0.49 0.0872 5.25 3.8632 0.735 3120829 ChemDiv3_012155 Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I12 compound treatment 0.447 0.0154 0.74 0.517 0.114 6.88 5.3835 0.7783 3035856 ChemDiv3_012156 O=C(CCCn1c(=O)c2cccn2c3ccccc13)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I13 compound treatment 0.478 0.0464 2.21 0.52 0.117 7.06 6.5562 0.8863 3120830 ChemDiv3_012157 CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I14 compound treatment 0.507 0.0754 3.6 0.537 0.134 8.08 8.2574 0.9335 3120831 ChemDiv3_012158 CCn1cc(CCCC(=O)NCCc2ccc(Cl)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I15 compound treatment 0.436 0.00444 0.21 0.461 0.0582 3.51 2.6285 0.7484 3035857 ChemDiv3_012159 CCc1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)C(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I16 compound treatment 0.446 0.0144 0.69 0.468 0.0652 3.93 3.2636 0.8186 3120832 ChemDiv3_012160 Cc1c(oc2CCc3cn(Cc4ccc(C)cc4)nc3-c12)C(=O)NCCCN5CCCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I17 compound treatment 0.494 0.0624 2.98 0.527 0.124 7.48 7.3935 0.9184 3035858 ChemDiv3_012161 Cc1cccc(c1)c2nsc(SCC(=O)OCc3ccccc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I18 compound treatment 0.449 0.0174 0.83 0.528 0.125 7.54 5.9192 0.7803 3120833 ChemDiv3_012162 CCCNC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I19 compound treatment 0.443 0.0114 0.55 0.52 0.117 7.06 5.3764 0.7595 3120834 ChemDiv3_012163 COc1ccc(cc1)c2noc(n2)N3CCC(CC3)C(=O)NCCN4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I20 compound treatment 0.442 0.0104 0.5 0.499 0.0962 5.79 4.4486 0.765 3035859 ChemDiv3_012164 COc1cccc(c1)c2cc(on2)C(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I21 compound treatment 0.432 4.37E-4 0.02 0.439 0.0362 2.18 1.5571 0.7138 3120835 ChemDiv3_012165 COc1ccc(cc1Nc2nc3ccccc3n4c(C)nnc24)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I22 compound treatment 0.467 0.0354 1.69 0.447 0.0442 2.66 3.0774 0.9759 3035860 ChemDiv3_012166 CCC(C)NC(=O)c1cc(no1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I23 mock treatment 0.431 -5.63E-4 -0.03 0.402 -7.74E-4 -0.05 -0.0519 -0.9655 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 I24 mock treatment 0.426 -0.00556 -0.27 0.41 0.00723 0.44 0.1201 0.2358 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J01 compound treatment 0.444 0.0124 0.59 0.418 0.0152 0.92 1.0675 0.9778 3120836 ChemDiv3_012167 COCC(C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(no2)c3ccccc3F)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J02 compound treatment 0.446 0.0144 0.69 0.406 0.00323 0.19 0.624 0.8726 3035861 ChemDiv3_012168 O=C(CSc1nncn2c3ccoc3cc12)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J03 compound treatment 0.446 0.0144 0.69 0.42 0.0172 1.04 1.22 0.9802 3120837 ChemDiv3_012169 CC(=O)Nc1ccc(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J04 compound treatment 0.456 0.0244 1.16 0.435 0.0322 1.94 2.1957 0.9702 3035862 ChemDiv3_012170 Cc1nnc(SCc2ccc(F)cc2Cl)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J05 compound treatment 0.438 0.00644 0.31 0.432 0.0292 1.76 1.4613 0.8181 3121017 ChemDiv3_012171 CC1CCCCN1S(=O)(=O)c2cc3OCC(=O)Nc3cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J06 compound treatment 0.446 0.0144 0.69 0.498 0.0952 5.73 4.5409 0.7863 3121018 ChemDiv3_012172 CCCNC(=O)c1ccc(CS(=O)c2ccc(Br)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J07 compound treatment 0.461 0.0294 1.4 0.55 0.147 8.86 7.2604 0.809 3035863 ChemDiv3_012173 O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J08 compound treatment 0.447 0.0154 0.74 0.491 0.0882 5.31 4.2766 0.7974 3121019 ChemDiv3_012174 CCOC(=O)N1CCC(CC1)NC(=O)CCc2cn(Cc3ccccc3C)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J09 compound treatment 0.442 0.0104 0.5 0.482 0.0792 4.77 3.7248 0.7766 3035864 ChemDiv3_012175 O=C(CN1C(=O)CCc2ccccc12)NC3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J10 compound treatment 0.427 -0.00456 -0.22 0.501 0.0982 5.91 4.0281 0.6806 3121020 ChemDiv3_012176 CSc1ccc(nn1)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J11 compound treatment 0.442 0.0104 0.5 0.489 0.0862 5.19 4.0229 0.7713 3121021 ChemDiv3_012177 CC(=O)N1CCSc2cc(ccc12)S(=O)(=O)Nc3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J12 compound treatment 0.425 -0.00656 -0.31 0.489 0.0862 5.19 3.4498 0.6633 3035865 ChemDiv3_012178 CCOC(=O)N1CCN(CC1)C(=O)CSc2ccc(nn2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J13 compound treatment 0.498 0.0664 3.17 0.576 0.173 10.43 9.6145 0.8821 3121022 ChemDiv3_012179 O=C1CSc2cc(ccc2N1)S(=O)(=O)N3CCC(=CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J14 compound treatment 0.444 0.0124 0.59 0.506 0.103 6.22 4.814 0.7711 3121023 ChemDiv3_012180 O=C(CSc1ccc(nn1)c2ccncc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J15 compound treatment 0.437 0.00544 0.26 0.519 0.116 7.0 5.1316 0.7328 3035866 ChemDiv3_012181 CC1CN(C(=O)C)c2ccc(cc2S1)S(=O)(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J16 compound treatment 0.432 4.37E-4 0.02 0.508 0.105 6.34 4.4947 0.7094 3121024 ChemDiv3_012182 O=S(=O)(NCCc1nnc2ccc(SCC#N)nn12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J17 compound treatment 0.542 0.11 5.26 0.58 0.177 10.67 11.2679 0.947 3121025 ChemDiv3_012183 CCOC(=O)c1ccccc1NC(=O)c2nc(c3ccc(C)cc3)n4CCCCCc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J18 compound treatment 0.431 -5.63E-4 -0.03 0.498 0.0952 5.73 4.0353 0.7038 3035867 ChemDiv3_012184 COc1ccc(cc1)c2nc(C)c(CCNC(=O)C(C)(C)C)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J19 compound treatment 0.44 0.00844 0.4 0.521 0.118 7.12 5.3178 0.7459 3121026 ChemDiv3_012185 CCN(Cc1ccccc1)C(=O)Cn2cc3CCc4oc(C(=O)N5CCCC5)c(C)c4-c3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J20 compound treatment 0.435 0.00344 0.16 0.477 0.0742 4.47 3.276 0.7325 3035868 ChemDiv3_012186 O=C(NCCc1nnc2ccc(nn12)N3CCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J21 compound treatment 0.543 0.111 5.31 0.55 0.147 8.86 10.0244 0.97 3121027 ChemDiv3_012187 Cc1ccc(NC(=O)CSc2nnc(C)n3c4ccsc4cc23)cc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J22 compound treatment 0.423 -0.00856 -0.41 0.397 -0.00577 -0.35 -0.5345 -0.9968 3035869 ChemDiv3_012188 CCOC(=O)N1CCC(CC1)NC(=O)NCc2noc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J23 mock treatment 0.432 4.37E-4 0.02 0.403 2.26E-4 0.01 0.0244 0.9785 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 J24 mock treatment 0.428 -0.00356 -0.17 0.399 -0.00377 -0.23 -0.2808 -0.9897 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K01 compound treatment 0.5 0.0684 3.26 0.484 0.0812 4.89 5.765 0.9806 3121028 ChemDiv3_012189 CC(C)C(=O)Nc1ccc(cc1)c2nc3cccnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K02 compound treatment 0.448 0.0164 0.78 0.415 0.0122 0.74 1.0746 0.9995 3035870 ChemDiv3_012190 Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)N4CCN(CC4)c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K03 compound treatment 0.446 0.0144 0.69 0.41 0.00723 0.44 0.7943 0.9755 3121029 ChemDiv3_012191 CS(=O)(=O)Nc1ccc(cc1)c2nc3cccnc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K04 compound treatment 0.446 0.0144 0.69 0.424 0.0212 1.28 1.3903 0.9578 3121030 ChemDiv3_012192 O=C(NCc1ccccc1)C2CCCN(C2)C(=O)N3CCOc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K05 compound treatment 0.451 0.0194 0.93 0.476 0.0732 4.41 3.7728 0.8374 3035871 ChemDiv3_012193 COc1ccc(cc1)c2nnc3sc(NC(=O)C(C)C)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K06 compound treatment 0.497 0.0654 3.12 0.49 0.0872 5.25 5.9194 0.9691 3121031 ChemDiv3_012194 CC(C)c1ccc(cc1)N2C(=O)CSCC2(C(=O)NC3CCCCC3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K07 compound treatment 0.45 0.0184 0.88 0.483 0.0802 4.83 4.0371 0.8223 3035872 ChemDiv3_012195 Fc1ccc(Cn2c(noc2=O)c3cccs3)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K08 compound treatment 0.455 0.0234 1.12 0.485 0.0822 4.95 4.2908 0.8454 3121032 ChemDiv3_012196 COC(=O)c1ccc(c2ccco2)n1CC(=O)NCCN3CCN(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K09 compound treatment 0.434 0.00244 0.12 0.484 0.0812 4.89 3.5403 0.7237 3035873 ChemDiv3_012197 CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K10 compound treatment 0.455 0.0234 1.12 0.516 0.113 6.82 5.6106 0.8122 3121033 ChemDiv3_012198 O=C(Cn1c(=O)c2cccn2c3ccccc13)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K11 compound treatment 0.445 0.0134 0.64 0.481 0.0782 4.71 3.7834 0.7959 3121034 ChemDiv3_012199 O=C(Nc1ccccc1)c2c[nH]c(=O)n(c3ccccc3)c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K12 compound treatment 0.445 0.0134 0.64 0.482 0.0792 4.77 3.826 0.7949 3035874 ChemDiv3_012200 O=C(CCCn1c(=O)c2cccn2c3ccccc13)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K13 compound treatment 0.438 0.00644 0.31 0.517 0.114 6.88 5.0801 0.7379 3121035 ChemDiv3_012201 CC1Cc2ccccc2N1C(=O)c3cc4c(=O)n5cccc(C)c5nc4n3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K14 compound treatment 0.455 0.0234 1.12 0.512 0.109 6.58 5.4403 0.8156 3121036 ChemDiv3_012202 CCn1cc(CCCC(=O)NC2CCC(C)CC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K15 compound treatment 0.441 0.00944 0.45 0.513 0.11 6.64 5.0109 0.7533 3035875 ChemDiv3_012203 CC1CCCCN1S(=O)(=O)c2ccc3N(CCOc3c2)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K16 compound treatment 0.411 -0.0206 -0.98 0.451 0.0482 2.9 1.3601 0.4438 3121037 ChemDiv3_012204 CCN1CCCC1CNC(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(C)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K17 compound treatment 0.539 0.107 5.12 0.584 0.181 10.91 11.3371 0.9405 3035876 ChemDiv3_012205 COc1ccc(cc1)C(=O)CSc2nc(ns2)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K18 compound treatment 0.538 0.106 5.07 0.606 0.203 12.24 12.24 0.924 3121038 ChemDiv3_012206 O=C(NCCc1ccccc1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K19 compound treatment 0.433 0.00144 0.07 0.456 0.0532 3.2 2.3145 0.7221 3035877 ChemDiv3_012207 O=C(Cc1noc2ccccc12)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K20 compound treatment 0.445 0.0134 0.64 0.443 0.0402 2.42 2.1655 0.8644 3121039 ChemDiv3_012208 COc1cccc(c1)c2cc(on2)C(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K21 compound treatment 0.426 -0.00556 -0.27 0.415 0.0122 0.74 0.333 0.4256 3035878 ChemDiv3_012209 Cc1nnc2c(NCCCN3CCN(CC3)c4cc(Cl)ccc4C)nc5ccccc5n12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K22 compound treatment 0.467 0.0354 1.69 0.446 0.0432 2.6 3.0348 0.9781 3121040 ChemDiv3_012210 CC(C)CNC(=O)c1cc(no1)c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K23 mock treatment 0.43 -0.00156 -0.07 0.397 -0.00577 -0.35 -0.2985 -0.8395 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 K24 mock treatment 0.443 0.0114 0.55 0.419 0.0162 0.98 1.0763 0.9621 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L01 compound treatment 0.458 0.0264 1.26 0.449 0.0462 2.78 2.8592 0.9358 3035879 ChemDiv3_012211 CCn1cnc2c3ccccc3oc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L02 compound treatment 0.478 0.0464 2.21 0.452 0.0492 2.96 3.6611 0.9897 3121041 ChemDiv3_012212 CCN(Cc1ccccc1)C(=O)CSc2nncn3c4ccoc4cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L03 compound treatment 0.45 0.0184 0.88 0.431 0.0282 1.7 1.8232 0.9529 3121042 ChemDiv3_012213 O=C(Cn1cnc2c3ccccc3oc2c1=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L04 compound treatment 0.519 0.0874 4.17 0.484 0.0812 4.89 6.4055 0.9968 3035880 ChemDiv3_012214 CCC(Sc1nnc(C)n2c3cc(C)oc3cc12)C(=O)Nc4cccc(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L05 compound treatment 0.444 0.0124 0.59 0.441 0.0382 2.3 2.0467 0.8611 3121043 ChemDiv3_012215 Cc1cc2NC(=O)COc2cc1S(=O)(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L06 compound treatment 0.449 0.0174 0.83 0.482 0.0792 4.77 3.9608 0.818 3121044 ChemDiv3_012216 Clc1ccc(cc1)S(=O)Cc2ccc(o2)C(=O)Nc3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L07 compound treatment 0.502 0.0704 3.36 0.548 0.145 8.74 8.5572 0.9136 3035881 ChemDiv3_012217 O=C1CN(CC(=O)N1CCc2ccccc2)S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L08 compound treatment 0.454 0.0224 1.07 0.443 0.0402 2.42 2.4689 0.9325 3121045 ChemDiv3_012218 Cc1cc(C)cc(NC(=O)CSc2ccc3nnc(c4cccs4)n3n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L09 compound treatment 0.444 0.0124 0.59 0.469 0.0662 3.99 3.2388 0.8034 3121226 ChemDiv3_012219 COc1cc2CCN(C(C)c2cc1OC)C(=O)CN3C(=O)CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L10 compound treatment 0.482 0.0504 2.4 0.526 0.123 7.42 6.9464 0.8907 3035882 ChemDiv3_012220 C(Sc1ccc(nn1)c2cccs2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L11 compound treatment 0.453 0.0214 1.02 0.455 0.0522 3.14 2.9461 0.891 3035883 ChemDiv3_012221 COC(=O)Cn1c(=O)n(C)c2nc3N(CCn3c2c1=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L12 compound treatment 0.458 0.0264 1.26 0.513 0.11 6.64 5.584 0.8266 3121227 ChemDiv3_012222 O=C(CSc1ccc(nn1)c2cccs2)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L13 compound treatment 0.516 0.0844 4.03 0.58 0.177 10.67 10.3915 0.9112 3036045 ChemDiv3_012223 O=C1CSc2cc(ccc2N1)S(=O)(=O)N3CCC(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L14 compound treatment 0.436 0.00444 0.21 0.501 0.0982 5.91 4.3315 0.7319 3036047 ChemDiv3_012224 O=C(CSc1ccc(nn1)c2ccncc2)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L15 compound treatment 0.461 0.0294 1.4 0.516 0.113 6.82 5.8128 0.8351 3036048 ChemDiv3_012225 CC1CN(C(=O)C)c2ccc(cc2S1)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L16 compound treatment 0.445 0.0134 0.64 0.494 0.0912 5.49 4.3369 0.7843 3036050 ChemDiv3_012226 Cc1ccc(cc1)S(=O)(=O)NCCc2nnc3ccc(SCC(=O)N4CCCC4)nn23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L17 compound treatment 0.469 0.0374 1.78 0.513 0.11 6.64 5.9548 0.8665 3036051 ChemDiv3_012227 CN(C(=O)c1nc(c2ccc(C)cc2)n3CCCCCc13)c4cc(C)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L18 compound treatment 0.443 0.0114 0.55 0.52 0.117 7.06 5.3764 0.7595 3036052 ChemDiv3_012228 Cc1nc(sc1CCNC(=O)c2c(F)cccc2F)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L19 compound treatment 0.445 0.0134 0.64 0.491 0.0882 5.31 4.2091 0.7867 3036054 ChemDiv3_012229 CNC(=O)Cn1cc2CCc3oc(C(=O)N4CCCC4)c(C)c3-c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L20 compound treatment 0.442 0.0104 0.5 0.464 0.0612 3.69 2.9585 0.7953 3036108 ChemDiv3_012230 Cc1cccc(c1)N2CCCn3c2nc4n(C)c(=O)n(C)c(=O)c34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L21 compound treatment 0.454 0.0224 1.07 0.424 0.0212 1.28 1.66 0.9961 3036109 ChemDiv3_012231 COc1ccc(NC(=O)CSc2nnc(C)n3c4ccsc4cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L22 compound treatment 0.439 0.00744 0.35 0.405 0.00223 0.13 0.3455 0.9114 3036111 ChemDiv3_012232 CC(C)CN(CC(C)C)C(=O)NCc1noc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L23 mock treatment 0.44 0.00844 0.4 0.422 0.0192 1.16 1.1029 0.9 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 L24 mock treatment 0.439 0.00744 0.35 0.406 0.00323 0.19 0.388 0.9599 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M01 compound treatment 0.544 0.112 5.36 0.511 0.108 6.52 8.3977 0.9953 3036112 ChemDiv3_012233 O=C(CSCc1ccccc1)Nc2ccc(cc2)c3nc4cccnc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M02 compound treatment 0.441 0.00944 0.45 0.398 -0.00477 -0.29 0.1149 0.2151 3036114 ChemDiv3_012234 Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M03 compound treatment 0.443 0.0114 0.55 0.406 0.00323 0.19 0.5229 0.9034 3036115 ChemDiv3_012235 O=C(NCC(N1CCN(Cc2ccccc2)CC1)c3cccnc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M04 compound treatment 0.442 0.0104 0.5 0.423 0.0202 1.22 1.2129 0.922 3121228 ChemDiv3_012236 COc1cc(NC(=O)N2CCOc3ccccc23)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M05 compound treatment 0.455 0.0234 1.12 0.432 0.0292 1.76 2.0343 0.976 3036118 ChemDiv3_012237 CC(C)CC(=O)Nc1nn2c(nnc2s1)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M06 compound treatment 0.481 0.0494 2.36 0.456 0.0532 3.2 3.9325 0.9886 3121229 ChemDiv3_012238 O=C(NC1CCCC1)c2ccc(cc2)n3c(cc4CCCCc43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M07 compound treatment 0.441 0.00944 0.45 0.415 0.0122 0.74 0.8386 0.9721 3036120 ChemDiv3_012239 CCOC(=O)c1ccccc1NC(=O)Cn2c(noc2=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M08 compound treatment 0.448 0.0164 0.78 0.414 0.0112 0.68 1.032 0.9973 3121230 ChemDiv3_012240 CC1CCN(CC1)C(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M09 compound treatment 0.43 -0.00156 -0.07 0.405 0.00223 0.13 0.0421 0.2746 3121231 ChemDiv3_012241 CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M10 compound treatment 0.439 0.00744 0.35 0.427 0.0242 1.46 1.2821 0.8541 3036123 ChemDiv3_012242 CCCNC(=O)Cn1c(=O)c2cccn2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M11 compound treatment 0.428 -0.00356 -0.17 0.415 0.0122 0.74 0.4004 0.5301 3121232 ChemDiv3_012243 Cc1ccc(cc1)n2c(=O)[nH]cc(C(=O)N3CCc4ccccc34)c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M12 compound treatment 0.439 0.00744 0.35 0.451 0.0482 2.9 2.3039 0.7876 3036125 ChemDiv3_012244 O=C(CCCn1c(=O)c2cccn2c3ccccc13)NC4CCCc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M13 compound treatment 0.445 0.0134 0.64 0.433 0.0302 1.82 1.7398 0.9018 3121233 ChemDiv3_012245 CN(Cc1ccccc1)C(=O)c2cc(cn2C)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M14 compound treatment 0.447 0.0154 0.74 0.436 0.0332 2.0 1.9349 0.9078 3121234 ChemDiv3_012246 CCN1CCCC1CNC(=O)CCCc2cn(CC)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M15 compound treatment 0.432 4.37E-4 0.02 0.425 0.0222 1.34 0.961 0.718 3036128 ChemDiv3_012247 CC(=O)N1CCOc2cc(ccc12)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M16 compound treatment 0.442 0.0104 0.5 0.454 0.0512 3.08 2.5327 0.8107 3121235 ChemDiv3_012248 COC(=O)c1ccccc1NC(=O)c2ccc3c(c2)sc4nc(cn43)c5ccc(OC)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M17 compound treatment 0.573 0.141 6.74 0.545 0.142 8.56 10.8228 0.993 3036129 ChemDiv3_012249 Cc1ccccc1c2nsc(SCC(=O)NC3CCCCC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M18 compound treatment 0.43 -0.00156 -0.07 0.411 0.00823 0.5 0.2975 0.5941 3121236 ChemDiv3_012250 O=C(NCC1CCCO1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M19 compound treatment 0.428 -0.00356 -0.17 0.413 0.0102 0.62 0.3153 0.4936 3036131 ChemDiv3_012251 CCN(CC)C(=O)Cc1noc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M20 compound treatment 0.442 0.0104 0.5 0.427 0.0242 1.46 1.3832 0.8975 3121237 ChemDiv3_012252 CCC(C)NC(=O)c1cc(no1)c2cccc(OC)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M21 compound treatment 0.433 0.00144 0.07 0.396 -0.00677 -0.41 -0.24 -0.5802 3036133 ChemDiv3_012253 Cc1nnc2c(nc3ccccc3n12)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M22 compound treatment 0.432 4.37E-4 0.02 0.411 0.00823 0.5 0.365 0.7362 3121238 ChemDiv3_012254 CC1CC(C)N(C(C)C1)C(=O)c2cc(no2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M23 mock treatment 0.434 0.00244 0.12 0.397 -0.00577 -0.35 -0.1637 -0.4465 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 M24 mock treatment 0.435 0.00344 0.16 0.409 0.00623 0.37 0.3809 0.9311 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N01 compound treatment 0.445 0.0134 0.64 0.431 0.0282 1.7 1.6547 0.9111 3036162 ChemDiv3_012255 CCCn1cnc2c3ccccc3oc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N02 compound treatment 0.458 0.0264 1.26 0.423 0.0202 1.22 1.7523 0.9999 3036164 ChemDiv3_012256 CCC(Sc1nncn2c3ccoc3cc12)C(=O)Nc4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N03 compound treatment 0.443 0.0114 0.55 0.433 0.0302 1.82 1.6724 0.8803 3036165 ChemDiv3_012257 CCOC(=O)C(CC)n1cnc2c3ccccc3oc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N04 compound treatment 0.444 0.0124 0.59 0.413 0.0102 0.62 0.8546 0.9998 3036167 ChemDiv3_012258 CCN(C(=O)CSc1nnc(CC)n2c3ccoc3cc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N05 compound treatment 0.51 0.0784 3.74 0.493 0.0902 5.43 6.4853 0.9834 3036168 ChemDiv3_012259 CC1CC(C)CN(C1)S(=O)(=O)c2cc3OCC(=O)Nc3cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N06 compound treatment 0.442 0.0104 0.5 0.414 0.0112 0.68 0.8298 0.9886 3036170 ChemDiv3_012260 Cc1ccc(cc1)S(=O)Cc2ccc(o2)C(=O)N3CCN(CC3)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N07 compound treatment 0.448 0.0164 0.78 0.429 0.0262 1.58 1.6706 0.9477 3036172 ChemDiv3_012261 CCOc1ccccc1N(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N08 compound treatment 0.426 -0.00556 -0.27 0.405 0.00223 0.13 -0.0927 -0.3121 3121239 ChemDiv3_012262 CC(C)Sc1ccc2nnc(c3ccccn3)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N09 compound treatment 0.443 0.0114 0.55 0.437 0.0342 2.06 1.8427 0.8644 3036173 ChemDiv3_012263 O=C(CN1C(=O)CCc2ccccc12)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N10 compound treatment 0.447 0.0154 0.74 0.412 0.00923 0.56 0.9131 0.9904 3121240 ChemDiv3_012264 C(Sc1ccc(nn1)c2ccco2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N11 compound treatment 0.445 0.0134 0.64 0.433 0.0302 1.82 1.7398 0.9018 3121241 ChemDiv3_012265 Cn1c(=O)n(CC=C)c(=O)c2n3CCN(c3nc12)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N12 compound treatment 0.414 -0.0176 -0.84 0.404 0.00123 0.07 -0.5398 -0.6423 3036176 ChemDiv3_012266 O=C(CSc1ccc(nn1)c2cccs2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N13 compound treatment 0.449 0.0174 0.83 0.428 0.0252 1.52 1.6618 0.9598 3121242 ChemDiv3_012267 CN1CCN(CC1)c2ccccc2NS(=O)(=O)c3ccc4NC(=O)CSc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N14 compound treatment 0.43 -0.00156 -0.07 0.404 0.00123 0.07 -5.0E-4 -0.0046 3036178 ChemDiv3_012268 O=C(CSc1ccc(nn1)c2ccncc2)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N15 compound treatment 0.446 0.0144 0.69 0.412 0.00923 0.56 0.8794 0.9944 3121243 ChemDiv3_012269 CN(Cc1ccccc1)S(=O)(=O)c2cc3OCCN(C)c3cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N16 compound treatment 0.452 0.0204 0.97 0.43 0.0272 1.64 1.848 0.9691 3036180 ChemDiv3_012270 COc1ccc(cc1)c2nc(C)c(CCNS(=O)(=O)N(C)C)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N17 compound treatment 0.446 0.0144 0.69 0.434 0.0312 1.88 1.8161 0.9071 3121244 ChemDiv3_012271 CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3NC(=O)COc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N18 compound treatment 0.439 0.00744 0.35 0.412 0.00923 0.56 0.6435 0.9765 3121245 ChemDiv3_012272 Cc1nc(sc1CCNC(=O)C(C)(C)C)c2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N19 compound treatment 0.461 0.0294 1.4 0.454 0.0512 3.08 3.1732 0.9365 3036182 ChemDiv3_012273 CCc1ccccc1NC(=O)CSc2nncn3c4ccsc4cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N20 compound treatment 0.433 0.00144 0.07 0.407 0.00423 0.25 0.2284 0.8667 3121246 ChemDiv3_012274 CCCn1c(=O)n(C)c2nc3N(Cc4ccco4)CCCn3c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N21 compound treatment 0.441 0.00944 0.45 0.423 0.0202 1.22 1.1792 0.9083 3036185 ChemDiv3_012275 CCc1nnc(SCC(=O)NCc2ccc(C)cc2)c3cc4sccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N22 compound treatment 0.433 0.00144 0.07 0.397 -0.00577 -0.35 -0.1974 -0.557 3121247 ChemDiv3_012276 CC1Cc2cc(ccc2N1C(=O)C3CC3)S(=O)(=O)NN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N23 mock treatment 0.437 0.00544 0.26 0.4 -0.00277 -0.17 0.0652 0.2114 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 N24 mock treatment 0.427 -0.00456 -0.22 0.401 -0.00177 -0.11 -0.2293 -0.9464 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O01 compound treatment 0.612 0.18 8.6 0.555 0.152 9.17 12.5631 0.9995 3121248 ChemDiv3_012277 O=C(Cc1ccccc1)Nc2ccc(cc2)c3nc4cccnc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O02 compound treatment 0.448 0.0164 0.78 0.423 0.0202 1.22 1.4152 0.9773 3036187 ChemDiv3_012278 CC1CN(CCN1c2ccc(C)cc2)C(=O)c3sc4nc5CCCCn5c(=O)c4c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O03 compound treatment 0.438 0.00644 0.31 0.417 0.0142 0.86 0.8227 0.9042 3121249 ChemDiv3_012279 CC(C)(C)C(=O)NCC(N1CCN(CC1)c2ccccc2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O04 compound treatment 0.454 0.0224 1.07 0.42 0.0172 1.04 1.4897 0.9999 3036224 ChemDiv3_012280 CCOc1ccccc1NC(=O)N2CCOc3ccc(C)cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O05 compound treatment 0.474 0.0424 2.02 0.456 0.0532 3.2 3.6965 0.9754 3036226 ChemDiv3_012281 Cc1[nH]c(cc1C(=O)NC2CCCCC2)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O06 compound treatment 0.527 0.0954 4.55 0.515 0.112 6.76 7.995 0.9815 3036227 ChemDiv3_012282 CCCNC(=O)c1ccc(cc1)n2c(cc3CCCCc32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O07 compound treatment 0.431 -5.63E-4 -0.03 0.425 0.0222 1.34 0.9273 0.6928 3036229 ChemDiv3_012283 FC(F)(F)c1ccccc1NC(=O)CSc2nc3nccnc3c(=O)n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O08 compound treatment 0.454 0.0224 1.07 0.435 0.0322 1.94 2.1283 0.9606 3036230 ChemDiv3_012284 Cc1ccc(CSc2nc3ccc(cc3n2C)C(=O)N4CCN(CC4)c5ccccc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O09 compound treatment 0.438 0.00644 0.31 0.419 0.0162 0.98 0.9078 0.8865 3036232 ChemDiv3_012285 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O10 compound treatment 0.466 0.0344 1.64 0.455 0.0522 3.14 3.3843 0.9541 3036233 ChemDiv3_012286 Cc1cc(C)cc(NC(=O)Cn2c(=O)c3cccn3c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O11 compound treatment 0.426 -0.00556 -0.27 0.418 0.0152 0.92 0.4607 0.4828 3121250 ChemDiv3_012287 CCOc1ccc(cc1)n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc34)c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O12 compound treatment 0.453 0.0214 1.02 0.433 0.0302 1.82 2.0095 0.9628 3121251 ChemDiv3_012288 CCC(C)NC(=O)C1CCN(CC1)c2nc3ccccc3n4cccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O13 compound treatment 0.452 0.0204 0.97 0.427 0.0242 1.46 1.7203 0.9808 3036236 ChemDiv3_012289 CCCN(CCC)C(=O)c1cc(cn1C)S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O14 compound treatment 0.475 0.0434 2.07 0.443 0.0402 2.42 3.1768 0.997 3036290 ChemDiv3_012290 CCn1cc(CCCC(=O)NCCC2=CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O15 compound treatment 0.44 0.00844 0.4 0.417 0.0142 0.86 0.8901 0.9406 3121252 ChemDiv3_012291 Cc1ccc(cc1)c2nsc(SCC(=O)N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O16 compound treatment 0.437 0.00544 0.26 0.431 0.0282 1.7 1.385 0.8056 3036238 ChemDiv3_012292 CCNC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O17 compound treatment 0.436 0.00444 0.21 0.42 0.0172 1.04 0.883 0.8342 3121253 ChemDiv3_012293 NC(=O)CSc1nc(ns1)c2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O18 compound treatment 0.541 0.109 5.22 0.518 0.115 6.94 8.5946 0.9901 3121254 ChemDiv3_012294 O=C(NCCC1=CCCCC1)c2ccc3c(c2)sc4nc(cn43)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O19 compound treatment 0.432 4.37E-4 0.02 0.409 0.00623 0.37 0.2798 0.7453 3036241 ChemDiv3_012295 CN(C(=O)Cc1noc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O20 compound treatment 0.439 0.00744 0.35 0.423 0.0202 1.22 1.1118 0.8766 3121429 ChemDiv3_012296 COc1cccc(c1)c2cc(on2)C(=O)N3CCN(CC3)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O21 compound treatment 0.43 -0.00156 -0.07 0.415 0.0122 0.74 0.4678 0.6323 3036243 ChemDiv3_012297 CNc1nc2ccccc2n3c(C)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O22 compound treatment 0.503 0.0714 3.41 0.491 0.0882 5.31 6.1642 0.9769 3121430 ChemDiv3_012298 Fc1ccc(cc1)c2cc(on2)C(=O)N3CCN(CC3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O23 mock treatment 0.423 -0.00856 -0.41 0.399 -0.00377 -0.23 -0.4493 -0.9618 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 O24 mock treatment 0.441 0.00944 0.45 0.408 0.00523 0.31 0.5406 0.9847 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P01 compound treatment 0.431 -5.63E-4 -0.03 0.417 0.0142 0.86 0.5867 0.6846 3036246 ChemDiv3_012299 C=CCn1cnc2c3ccccc3oc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P02 compound treatment 0.451 0.0194 0.93 0.426 0.0232 1.4 1.644 0.98 3121431 ChemDiv3_012300 COc1ccccc1NC(=O)CSc2nncn3c4cc(C)oc4cc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P03 compound treatment 0.457 0.0254 1.21 0.436 0.0332 2.0 2.272 0.9712 3036247 ChemDiv3_012301 COc1ccc(NS(=O)(=O)c2ccc3NC(=O)COc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P04 compound treatment 0.467 0.0354 1.69 0.46 0.0572 3.45 3.6309 0.9462 3121432 ChemDiv3_012302 CCc1nnc(SCc2ccccc2)c3cc4occc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P05 compound treatment 0.449 0.0174 0.83 0.439 0.0362 2.18 2.1301 0.9126 3121433 ChemDiv3_012303 CC1CCCC(NS(=O)(=O)c2cc3OCC(=O)Nc3cc2C)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P06 compound treatment 0.439 0.00744 0.35 0.427 0.0242 1.46 1.2821 0.8541 3036250 ChemDiv3_012304 Cc1ccc(CS(=O)Cc2ccc(o2)C(=O)N3CCN(Cc4ccccc4)CC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P07 compound treatment 0.475 0.0434 2.07 0.472 0.0692 4.17 4.4114 0.9479 3121434 ChemDiv3_012305 Clc1cccc(c1)N2CCN(CCNS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P08 compound treatment 0.439 0.00744 0.35 0.417 0.0142 0.86 0.8564 0.9238 3036291 ChemDiv3_012306 CCc1ccc(NC(=O)CSc2ccc3nnc(c4ccccn4)n3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P09 compound treatment 0.443 0.0114 0.55 0.439 0.0362 2.18 1.9278 0.8575 3036293 ChemDiv3_012307 COc1ccc(cc1)n2cc(C(=O)NCCN3CCc4ccccc4C3)c5ccccc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P10 compound treatment 0.42 -0.0116 -0.55 0.41 0.00723 0.44 -0.0821 -0.1169 3036294 ChemDiv3_012308 NC(=O)CSc1ccc(nn1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P11 compound treatment 0.436 0.00444 0.21 0.423 0.0202 1.22 1.0107 0.8177 3036296 ChemDiv3_012309 O=C1CSc2cc(ccc2N1)S(=O)(=O)NN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P12 compound treatment 0.456 0.0244 1.16 0.441 0.0382 2.3 2.4512 0.9502 3036297 ChemDiv3_012310 COc1ccccc1CCNC(=O)CSc2ccc(nn2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P13 compound treatment 0.462 0.0304 1.45 0.45 0.0472 2.84 3.0366 0.9512 3121435 ChemDiv3_012311 CCc1ccc(NS(=O)(=O)c2ccc3NC(=O)C(C)Sc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P14 compound treatment 0.429 -0.00256 -0.12 0.415 0.0122 0.74 0.4341 0.5818 3036299 ChemDiv3_012312 Fc1ccc(cc1)C(=O)CSc2ccc(nn2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P15 compound treatment 0.435 0.00344 0.16 0.42 0.0172 1.04 0.8493 0.8088 3036301 ChemDiv3_012313 CN1CCOc2cc(c(C)cc12)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P16 compound treatment 0.486 0.0544 2.6 0.469 0.0662 3.99 4.6545 0.9784 3121436 ChemDiv3_012314 Cc1nc(sc1CCNS(=O)(=O)c2ccc(F)c(c2)C(F)(F)F)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P17 compound treatment 0.427 -0.00456 -0.22 0.427 0.0242 1.46 0.8776 0.5951 3121437 ChemDiv3_012315 O=C(NC1CCCC1)C2CCN(CC2)S(=O)(=O)c3ccc4[nH]c(nc4c3)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P18 compound treatment 0.446 0.0144 0.69 0.423 0.0202 1.22 1.3478 0.9635 3036304 ChemDiv3_012316 COc1ccc(cc1)C(=O)NCCc2sc(nc2C)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P19 compound treatment 0.531 0.0994 4.74 0.575 0.172 10.37 10.6843 0.9371 3121438 ChemDiv3_012317 CSc1cccc(NC(=O)CSc2nncn3c4ccsc4cc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P20 compound treatment 0.439 0.00744 0.35 0.418 0.0152 0.92 0.8989 0.9146 3036306 ChemDiv3_012318 Cn1c(=O)n(CC=C)c(=O)c2n3CCCN(C4CCCCC4)c3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P21 compound treatment 0.447 0.0154 0.74 0.434 0.0312 1.88 1.8498 0.9162 3121439 ChemDiv3_012319 CCC(Sc1nnc(CC)n2c3ccsc3cc12)C(=O)NCc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P22 compound treatment 0.46 0.0284 1.36 0.478 0.0752 4.53 4.1613 0.8802 3121440 ChemDiv3_012320 CCc1ccccc1NS(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P23 mock treatment 0.445 0.0134 0.64 0.426 0.0232 1.4 1.4418 0.9373 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2035 P24 mock treatment 0.418 -0.0136 -0.65 0.395 -0.00777 -0.47 -0.7881 -0.9874 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A01 compound treatment 0.441 0.00828 0.39 0.44 0.0103 0.62 0.7182 0.9761 3036308 ChemDiv3_012321 CCC(Cc1ccccc1)NS(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A02 compound treatment 0.614 0.181 8.64 0.616 0.186 11.22 14.0428 0.9917 3121441 ChemDiv3_012322 O=C/1OC(=N\C1=C/c2ccco2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A03 compound treatment 0.466 0.0333 1.59 0.478 0.0483 2.91 3.1787 0.9594 3121442 ChemDiv3_012323 Cc1cc(C)cc(c1)n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc4CCSc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A04 compound treatment 0.618 0.185 8.83 0.601 0.171 10.31 13.539 0.997 3036310 ChemDiv3_012324 O=C/1OC(=N\C1=C\NC2CCCCC2)c3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A05 compound treatment 0.433 2.81E-4 0.01 0.438 0.00831 0.5 0.3634 0.7258 3121443 ChemDiv3_012325 O=C(Cn1cc(SCc2ccccc2)c3ccccc13)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A06 compound treatment 0.427 -0.00572 -0.27 0.426 -0.00369 -0.22 -0.3498 -0.9948 3036312 ChemDiv3_012326 CC(=O)Nc1ccccc1/C(=N/C2CCCCC2)/C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A07 compound treatment 0.434 0.00128 0.06 0.419 -0.0107 -0.64 -0.4118 -0.6371 3121444 ChemDiv3_012327 CCN(CC)C(=O)Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A08 compound treatment 0.437 0.00428 0.2 0.439 0.00931 0.56 0.5408 0.9063 3121445 ChemDiv3_012328 CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c4cccc(c4)C(F)(F)F)/oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A09 compound treatment 0.439 0.00628 0.3 0.437 0.00731 0.44 0.5231 0.9823 3036314 ChemDiv3_012329 CCc1ccc(NC(=O)N2CC(C)Sc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A10 compound treatment 0.448 0.0153 0.73 0.441 0.0113 0.68 0.9967 0.9994 3121446 ChemDiv3_012330 O=C(N1CCN(CC1)c2ccccc2)c3ccc(Cn4c(=O)[nH]c5ccccc5c4=O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A11 compound treatment 0.431 -0.00172 -0.08 0.423 -0.00669 -0.4 -0.3427 -0.8339 3036316 ChemDiv3_012331 CCc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)C3COc4ccccc4O3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A12 compound treatment 0.456 0.0233 1.11 0.451 0.0213 1.28 1.6921 0.9974 3121447 ChemDiv3_012332 CCC(=O)c1cc2ccccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A13 compound treatment 0.462 0.0293 1.4 0.447 0.0173 1.04 1.7241 0.9897 3121448 ChemDiv3_012333 Clc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A14 compound treatment 0.436 0.00328 0.16 0.454 0.0243 1.46 1.1457 0.7782 1630757 ChemDiv3_012334 COc1cccc(Nc2nnc(s2)c3cc4cccc(OC)c4oc3=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A15 compound treatment 0.431 -0.00172 -0.08 0.426 -0.00369 -0.22 -0.2149 -0.9082 3036368 ChemDiv3_012335 O=C(NCCc1csc2nc(nn12)c3ccccc3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A16 compound treatment 0.461 0.0283 1.35 0.46 0.0303 1.83 2.2438 0.9889 3036369 ChemDiv3_012336 O=C(NCc1ccc2OCOc2c1)c3sc(=S)n4c3[nH]c(=O)c5ccccc54 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A17 compound treatment 0.432 -7.19E-4 -0.03 0.431 0.00131 0.08 0.0317 0.3675 3036371 ChemDiv3_012337 COc1ccc(/C=N/c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5)c(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A18 compound treatment 0.436 0.00328 0.16 0.443 0.0133 0.8 0.6774 0.8294 3036372 ChemDiv3_012338 Nc1c(nnn1c2ccc(OC(F)(F)F)cc2)C(=O)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A19 compound treatment 0.456 0.0233 1.11 0.448 0.0183 1.1 1.5644 1.0 3036374 ChemDiv3_012339 Cc1cc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)/c3ccccc3)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A20 compound treatment 0.493 0.0603 2.87 0.489 0.0593 3.57 4.5572 0.9942 3036375 ChemDiv3_012340 CSc1nc(cn1c2cccc(Cl)c2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A21 compound treatment 0.4 -0.0327 -1.56 0.4 -0.0297 -1.79 -2.3668 -0.9977 3036377 ChemDiv3_012341 CC(C)(C)c1ccc(/C=N/n2cnnc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A22 compound treatment 0.425 -0.00772 -0.37 0.427 -0.00269 -0.16 -0.3746 -0.9319 3121449 ChemDiv3_012342 CCC(C)NC(=O)c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A23 mock treatment 0.422 -0.0107 -0.51 0.429 -6.88E-4 -0.04 -0.3906 -0.7619 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 A24 mock treatment 0.405 -0.0277 -1.32 0.424 -0.00569 -0.34 -1.1765 -0.8619 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B01 compound treatment 0.45 0.0173 0.82 0.454 0.0243 1.46 1.6176 0.963 3121450 ChemDiv3_012343 CCC(Sc1nc2ccccc2c3nc4ccccc4n13)C(=O)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B02 compound treatment 0.437 0.00428 0.2 0.439 0.00931 0.56 0.5408 0.9063 3036379 ChemDiv3_012344 Fc1ccccc1CSC2=Nc3ccccc3C4=NC(CC(=O)NC5CCCCC5)C(=O)N42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B03 compound treatment 0.483 0.0503 2.4 0.473 0.0433 2.61 3.5389 0.9991 1528378 ChemDiv3_012345 Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B04 compound treatment 0.456 0.0233 1.11 0.45 0.0203 1.22 1.6496 0.9988 1456817 ChemDiv3_012346 COC(=O)c1ccc2c(=O)n(c(SCC(=O)C(C)(C)C)nc2c1)c3ccc(F)c(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B05 compound treatment 0.444 0.0113 0.54 0.451 0.0213 1.28 1.2876 0.9255 3036381 ChemDiv3_012347 CC(CC(=O)NC1CCCCCC1)CC2=Nc3ccccc3S(=O)(=O)N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B06 compound treatment 0.48 0.0473 2.25 0.476 0.0463 2.79 3.5655 0.9944 1665762 ChemDiv3_012348 O=C(CSc1nc2ccccc2c(=O)n1CCc3ccccc3)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B07 compound treatment 0.469 0.0363 1.73 0.462 0.0323 1.95 2.5987 0.9983 3036383 ChemDiv3_012349 Cc1cccc(NC2=Nc3ccccc3S(=O)(=O)N2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B08 compound treatment 0.461 0.0283 1.35 0.461 0.0313 1.89 2.2864 0.9865 1562044 ChemDiv3_012350 CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2Cc4cccs4)c5OCOCc5c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B09 compound treatment 0.455 0.0223 1.06 0.451 0.0213 1.28 1.6584 0.9956 3121451 ChemDiv3_012351 O=C(CSc1nc2c3ccccc3sc2c(=O)n1Cc4ccccc4)NCCC5=CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B10 compound treatment 0.459 0.0263 1.25 0.471 0.0413 2.49 2.6447 0.9496 1694421 ChemDiv3_012352 O=C(NC1CCCCC1)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B11 compound treatment 0.441 0.00828 0.39 0.454 0.0243 1.46 1.3142 0.8668 3121627 ChemDiv3_012353 O=c1n(CCCN2CCOCC2)c(SCC#N)nc3c4ccccc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B12 compound treatment 0.461 0.0283 1.35 0.453 0.0233 1.4 1.9458 0.9998 1139359 ChemDiv3_012354 CC(=O)NCCn1c(SCC(=O)NCc2ccccc2)nc3ccccc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B13 compound treatment 0.474 0.0413 1.97 0.471 0.0413 2.49 3.1504 0.9933 3121628 ChemDiv3_012355 C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc4cccnc4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B14 compound treatment 0.452 0.0193 0.92 0.445 0.0153 0.92 1.3019 1.0 1712288 ChemDiv3_012356 O=C(CCn1c(SCC(=O)c2ccccc2)nc3ccccc3c1=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B15 compound treatment 0.458 0.0253 1.21 0.449 0.0193 1.16 1.6744 0.9998 3036389 ChemDiv3_012357 CN(C)C(=O)C1C2NC(=S)N(c3cccc(C)c3)C1(C)Oc4c(Cl)cc(Cl)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B16 compound treatment 0.492 0.0593 2.83 0.494 0.0643 3.87 4.7363 0.988 1243347 ChemDiv3_012358 O=C(CCCn1c(SCC#N)nc2ccccc2c1=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B17 compound treatment 0.473 0.0403 1.92 0.468 0.0383 2.31 2.9889 0.9958 3121629 ChemDiv3_012359 COc1ccc2C3C(C(=O)c4ccccc4)C(=O)NC5(CCCCC35)Oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B18 compound treatment 0.446 0.0133 0.63 0.441 0.0113 0.68 0.9293 0.9993 1732946 ChemDiv3_012360 CCOC(=O)N1CCN(CC1)C(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B19 compound treatment 0.485 0.0523 2.49 0.481 0.0513 3.09 3.9469 0.9943 3121630 ChemDiv3_012361 CCC(SC1=Nc2ccccc2C3=NC(CC(C)C)C(=O)N31)C(=O)Nc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B20 compound treatment 0.517 0.0843 4.02 0.508 0.0783 4.72 6.1751 0.9968 1372747 ChemDiv3_012362 CCOC(CCn1c(SCc2cccc(F)c2)nc3ccccc3c1=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B21 compound treatment 0.431 -0.00172 -0.08 0.437 0.00731 0.44 0.2534 0.5658 3036435 ChemDiv3_012363 CC1N=C2N(C1=O)C(=Nc3ccccc23)SCc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B22 compound treatment 0.519 0.0863 4.11 0.522 0.0923 5.56 6.8385 0.989 3036437 ChemDiv3_012364 COc1cc2[nH]c(=S)n(C3CC3)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B23 mock treatment 0.442 0.00928 0.44 0.437 0.00731 0.44 0.6242 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 B24 mock treatment 0.437 0.00428 0.2 0.429 -6.88E-4 -0.04 0.115 0.5524 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C01 compound treatment 0.454 0.0213 1.01 0.426 -0.00369 -0.22 0.5603 0.5396 3036438 ChemDiv3_012365 CCN(c1ccc(OC)cc1)S(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C02 compound treatment 0.463 0.0303 1.44 0.452 0.0223 1.34 1.9707 0.9994 3036440 ChemDiv3_012366 CC(=O)Oc1cccc(/C=C/2\N=C(OC2=O)c3ccccc3Br)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C03 compound treatment 0.425 -0.00772 -0.37 0.423 -0.00669 -0.4 -0.5449 -0.999 3036441 ChemDiv3_012367 Cc1cc(C)cc(c1)n2c(SCC(=O)NCc3ccc(F)cc3)nc4CCSc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C04 compound treatment 0.499 0.0663 3.16 0.506 0.0763 4.59 5.4832 0.9833 3036443 ChemDiv3_012368 O=C/1OC(=N\C1=C/Nc2ccc3ccccc3c2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C05 compound treatment 0.425 -0.00772 -0.37 0.418 -0.0117 -0.7 -0.7578 -0.9543 3121631 ChemDiv3_012369 O=C(CSc1cn(CC(=O)N2CCOCC2)c3ccccc13)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C06 compound treatment 0.485 0.0523 2.49 0.485 0.0553 3.33 4.1172 0.9898 3036445 ChemDiv3_012370 COc1ccc(cc1)c2nc3cc(F)c(Cl)cc3nc2c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C07 compound treatment 0.427 -0.00572 -0.27 0.423 -0.00669 -0.4 -0.4775 -0.982 3121632 ChemDiv3_012371 CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C08 compound treatment 0.435 0.00228 0.11 0.441 0.0113 0.68 0.5585 0.8097 3121633 ChemDiv3_012372 CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c4ccc(C)c(C)c4)/oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C09 compound treatment 0.43 -0.00272 -0.13 0.424 -0.00569 -0.34 -0.3338 -0.9116 3036448 ChemDiv3_012373 CC1CN(C(=O)Nc2cccc(Cl)c2C)c3ccccc3S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C10 compound treatment 0.471 0.0383 1.82 0.458 0.0283 1.7 2.4958 0.9994 3121634 ChemDiv3_012374 CCOc1cc2[nH]c(=O)n(Cc3cccc(OC)c3)c(=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C11 compound treatment 0.422 -0.0107 -0.51 0.423 -0.00669 -0.4 -0.646 -0.993 3036450 ChemDiv3_012375 CN(C)CCN(C(=O)c1ccc2ncsc2c1)c3nc4c(C)cccc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C12 compound treatment 0.437 0.00428 0.2 0.425 -0.00469 -0.28 -0.0553 -0.1587 1011589 ChemDiv3_012376 O=C(c1ccccc1)c2cc3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C13 compound treatment 0.438 0.00528 0.25 0.431 0.00131 0.08 0.2339 0.8864 3121635 ChemDiv3_012377 Clc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)N3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C14 compound treatment 0.429 -0.00372 -0.18 0.434 0.00431 0.26 0.0583 0.1853 3036453 ChemDiv3_012378 COc1ccc2oc(=O)c(cc2c1)c3nnc(NCc4ccc5OCOc5c4)s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C15 compound treatment 0.439 0.00628 0.3 0.446 0.0163 0.98 0.9062 0.8826 3121636 ChemDiv3_012379 CC1CN(CC(C)O1)c2nc(Nc3ccc(C)c(Cl)c3)c4cnn(C)c4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C16 compound treatment 0.462 0.0293 1.4 0.465 0.0353 2.13 2.4904 0.9792 3036455 ChemDiv3_012380 CC(C)NC(=O)c1sc(=S)n2c1[nH]c(=O)c3ccc(cc32)C(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C17 compound treatment 0.492 0.0593 2.83 0.492 0.0623 3.75 4.6512 0.9902 3121637 ChemDiv3_012381 FC(F)(F)c1ccc(Cl)c(NC(=O)CC(=O)c2ccccc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C18 compound treatment 0.445 0.0123 0.59 0.453 0.0233 1.4 1.4065 0.9248 1593078 ChemDiv3_012382 S=c1[nH]c(cn1c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C19 compound treatment 0.405 -0.0277 -1.32 0.412 -0.0177 -1.06 -1.6874 -0.9943 3121638 ChemDiv3_012383 FC(F)(F)c1cccc(/C=N/n2cnnc2SCc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C20 compound treatment 0.513 0.0803 3.83 0.502 0.0723 4.35 5.7848 0.9979 3121639 ChemDiv3_012384 Cc1ccc(cc1)n2cc(nc2SCC(=O)NCCc3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C21 compound treatment 0.415 -0.0177 -0.84 0.42 -0.00969 -0.58 -1.0097 -0.9837 3036458 ChemDiv3_012385 COc1ccc(/C=N/N(C)C2=NCCN2)c(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C22 compound treatment 0.419 -0.0137 -0.65 0.415 -0.0147 -0.88 -1.0877 -0.989 3121640 ChemDiv3_012386 FC(F)(F)c1cccc(OCCNC(=O)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C23 mock treatment 0.414 -0.0187 -0.89 0.409 -0.0207 -1.25 -1.5117 -0.9866 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 C24 mock treatment 0.416 -0.0167 -0.8 0.42 -0.00969 -0.58 -0.976 -0.9882 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D01 compound treatment 0.454 0.0213 1.01 0.481 0.0513 3.09 2.902 0.8924 3036460 ChemDiv3_012387 Cn1c(=O)c2nc(oc2c3ccccc13)c4ccccc4I 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D02 compound treatment 0.434 0.00128 0.06 0.435 0.00531 0.32 0.2694 0.8272 3036503 ChemDiv3_012388 O=C(CC1N=C2N(C1=O)C(=Nc3ccccc23)SCC(=O)c4ccccc4)NCCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D03 compound treatment 0.438 0.00528 0.25 0.438 0.00831 0.5 0.5319 0.9494 3036504 ChemDiv3_012389 O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D04 compound treatment 0.467 0.0343 1.63 0.503 0.0733 4.41 4.2768 0.9086 1076056 ChemDiv3_012390 CCCCn1c(=O)c2ccccc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D05 compound treatment 0.492 0.0593 2.83 0.519 0.0893 5.38 5.8007 0.9549 3036506 ChemDiv3_012391 Cc1cccc(N2CCN(CC2)C(=O)CC3(CC4=Nc5ccccc5S(=O)(=O)N4)CCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D06 compound treatment 0.437 0.00428 0.2 0.433 0.00331 0.2 0.2853 0.9999 1698753 ChemDiv3_012392 Clc1ccc(cc1)C(=O)CSc2nc3ccccc3c(=O)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D07 compound treatment 0.449 0.0163 0.78 0.449 0.0193 1.16 1.371 0.9807 3036508 ChemDiv3_012393 COC(=O)c1ccccc1n2c(N)c(C#N)c(N)c(C#N)c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D08 compound treatment 0.547 0.114 5.45 0.536 0.106 6.4 8.3784 0.9968 1613927 ChemDiv3_012394 Clc1ccc(CSc2nc3ccccc3c(=O)n2Cc4cccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D09 compound treatment 0.43 -0.00272 -0.13 0.433 0.00331 0.2 0.0494 0.2076 3121641 ChemDiv3_012395 COc1ccc(CCn2c(=O)c3sc4ccccc4c3[nH]c2=S)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D10 compound treatment 0.442 0.00928 0.44 0.449 0.0193 1.16 1.1351 0.9123 1185287 ChemDiv3_012396 COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(SCC(=O)Nc4ccccc4Cl)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D11 compound treatment 0.472 0.0393 1.87 0.465 0.0353 2.13 2.8275 0.998 3036510 ChemDiv3_012397 COc1ccc(CCNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCO)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D12 compound treatment 0.524 0.0913 4.35 0.54 0.11 6.64 7.7734 0.979 1434889 ChemDiv3_012398 COc1ccc(NC(=O)CCCn2c(=O)c3ccccc3[nH]c2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D13 compound treatment 0.475 0.0423 2.02 0.461 0.0313 1.89 2.7583 0.9994 3036513 ChemDiv3_012399 Cc1ccccc1Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D14 compound treatment 0.44 0.00728 0.35 0.438 0.00831 0.5 0.5993 0.984 1547109 ChemDiv3_012400 O=C(CC#N)Nn1c(=O)c2ccccc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D15 compound treatment 0.432 -7.19E-4 -0.03 0.436 0.00631 0.38 0.2445 0.6408 3121642 ChemDiv3_012401 COc1cccc2C3NC(=S)NC(C)(Oc12)C3C(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D16 compound treatment 0.471 0.0383 1.82 0.472 0.0423 2.55 3.0918 0.9866 1155487 ChemDiv3_012402 Fc1cccc(CSc2nc3ccccc3c(=O)n2CCC(=O)NCCc4ccccc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D17 compound treatment 0.5 0.0673 3.21 0.505 0.0753 4.53 5.4743 0.9856 3121643 ChemDiv3_012403 COc1ccccc1C(=O)C2C3CC(C)(NC2=O)Oc4ccc(Cl)cc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D18 compound treatment 0.447 0.0143 0.68 0.441 0.0113 0.68 0.963 1.0 1421160 ChemDiv3_012404 CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D19 compound treatment 0.435 0.00228 0.11 0.434 0.00431 0.26 0.2605 0.9254 3036517 ChemDiv3_012405 CCC(C)C1N=C2N(C1=O)C(=Nc3ccccc23)SCc4cc(=O)n5ccccc5n4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D20 compound treatment 0.434 0.00128 0.06 0.431 0.00131 0.08 0.0991 0.9919 3121644 ChemDiv3_012406 Clc1ccc(cc1)C(=O)CSc2nc3ccccc3c(=O)n2C4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D21 compound treatment 0.424 -0.00872 -0.42 0.437 0.00731 0.44 0.0174 0.0288 3121645 ChemDiv3_012407 O=C(CCC1N=C2N(C1=O)C(=S)Nc3ccccc23)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D22 compound treatment 0.43 -0.00272 -0.13 0.426 -0.00369 -0.22 -0.2486 -0.9672 3036519 ChemDiv3_012408 CC1CCN(CC1)C(=O)CSc2nc3cc4OCOc4cc3c(=O)n2CCC5=CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D23 mock treatment 0.429 -0.00372 -0.18 0.433 0.00331 0.2 0.0157 0.0588 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 D24 mock treatment 0.427 -0.00572 -0.27 0.432 0.00231 0.14 -0.0943 -0.3081 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E01 compound treatment 0.438 0.00528 0.25 0.436 0.00631 0.38 0.4468 0.98 3121646 ChemDiv3_012409 CC1Cc2cc(ccc2N1C(=O)C3CC3)S(=O)(=O)N(C)CC(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E02 compound treatment 0.447 0.0143 0.68 0.443 0.0133 0.8 1.0482 0.9967 1660760 ChemDiv3_012410 CCOc1ncccc1C(=O)Nc2cccc(c2)C(=O)Nc3cccc(c3)S(=O)(=O)CCO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E03 compound treatment 0.451 0.0183 0.87 0.443 0.0133 0.8 1.183 0.9991 3121828 ChemDiv3_012411 COc1cccc(c1)n2c(SCC(=O)NC3CCCC3)nc4CCSc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E04 compound treatment 0.585 0.152 7.26 0.615 0.185 11.16 13.0227 0.9783 3121829 ChemDiv3_012412 Cc1ccc(cc1)C2=N/C(=C/Nc3ccccc3)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E05 compound treatment 0.436 0.00328 0.16 0.444 0.0143 0.86 0.72 0.822 3036522 ChemDiv3_012413 NC(=O)CSc1cn(CC(=O)N2CCOCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E06 compound treatment 0.538 0.105 5.02 0.541 0.111 6.7 8.2879 0.9898 3121830 ChemDiv3_012414 O=C(NCCc1ccccc1)c2ccc3nc(c4cccs4)c(nc3c2)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E07 compound treatment 0.454 0.0213 1.01 0.437 0.00731 0.44 1.0287 0.9302 3036524 ChemDiv3_012415 CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E08 compound treatment 0.573 0.14 6.69 0.593 0.163 9.83 11.6815 0.9823 3121831 ChemDiv3_012416 COc1ccc2o/c(=N\c3ccc(cc3)C(=O)O)/c(cc2c1)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E09 compound treatment 0.438 0.00528 0.25 0.438 0.00831 0.5 0.5319 0.9494 3036578 ChemDiv3_012417 FC(F)(F)c1cccc(NC(=O)N2CCC(CN3CCc4ccccc4C3)CC2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E10 compound treatment 0.476 0.0433 2.06 0.474 0.0443 2.67 3.3455 0.9919 3036580 ChemDiv3_012418 COc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E11 compound treatment 0.436 0.00328 0.16 0.44 0.0103 0.62 0.5497 0.8584 3036582 ChemDiv3_012419 CN(C)CCN(C(=O)c1ccco1)c2nc3cc4OCOc4cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E12 compound treatment 0.462 0.0293 1.4 0.461 0.0313 1.89 2.3201 0.9891 3036583 ChemDiv3_012420 CCCC(=O)c1cc2cc(Cl)ccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E13 compound treatment 0.45 0.0173 0.82 0.435 0.00531 0.32 0.8087 0.9151 3036585 ChemDiv3_012421 COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E14 compound treatment 0.472 0.0393 1.87 0.463 0.0333 2.01 2.7423 0.9994 1332200 ChemDiv3_012422 CC1CCC(CC1)NC(=O)CCC(=O)Nc2nc(cs2)c3cc4ccccc4oc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E15 compound treatment 0.448 0.0153 0.73 0.435 0.00531 0.32 0.7413 0.9317 3121832 ChemDiv3_012423 COc1ccc(Nc2nc(NCCN3CCOCC3)nc4n(C)ncc24)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E16 compound treatment 0.519 0.0863 4.11 0.509 0.0793 4.78 6.285 0.9972 3036587 ChemDiv3_012424 Cc1ccc(cc1)S(=O)(=O)c2nnn3c2[nH]c(=O)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E17 compound treatment 0.466 0.0333 1.59 0.47 0.0403 2.43 2.8381 0.9788 1438027 ChemDiv3_012425 Cc1ccc(cc1)N2C(=O)c3ccccc3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E18 compound treatment 0.463 0.0303 1.44 0.456 0.0263 1.58 2.141 0.9989 3036589 ChemDiv3_012426 CC(C)(C)c1cn(c2ccc(F)cc2)c(=S)[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E19 compound treatment 0.427 -0.00572 -0.27 0.426 -0.00369 -0.22 -0.3498 -0.9948 3121833 ChemDiv3_012427 Brc1ccc(/C=N/n2cnnc2SCc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E20 compound treatment 0.478 0.0453 2.16 0.465 0.0353 2.13 3.0297 1.0 3121834 ChemDiv3_012428 COc1ccc(OC)c(c1)n2cc(nc2SC)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E21 compound treatment 0.435 0.00228 0.11 0.435 0.00531 0.32 0.3031 0.8971 3036591 ChemDiv3_012429 CN(/N=C/c1ccncc1)C2=NCCN2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E22 compound treatment 0.445 0.0123 0.59 0.433 0.00331 0.2 0.555 0.8974 3121835 ChemDiv3_012430 Fc1cccc(CSc2nc3ccccc3c4nc5ccccc5n24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E23 mock treatment 0.425 -0.00772 -0.37 0.426 -0.00369 -0.22 -0.4172 -0.9707 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 E24 mock treatment 0.432 -7.19E-4 -0.03 0.441 0.0113 0.68 0.4574 0.6707 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F01 compound treatment 0.493 0.0603 2.87 0.441 0.0113 0.68 2.5136 0.8511 3121836 ChemDiv3_012431 COc1ccccc1NC(=O)c2sc3nc([nH]c(=O)c3c2C)c4cc5cccc(OC)c5oc4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F02 compound treatment 0.449 0.0163 0.78 0.443 0.0133 0.8 1.1156 0.9999 3036593 ChemDiv3_012432 Cc1cc(C)n(CCc2nc3c4ccccc4[nH]c(=S)n3n2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F03 compound treatment 0.45 0.0173 0.82 0.449 0.0193 1.16 1.4047 0.9858 3036595 ChemDiv3_012433 O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F04 compound treatment 0.447 0.0143 0.68 0.452 0.0223 1.34 1.4313 0.9504 1258951 ChemDiv3_012434 COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCc4ccc(Cl)cc4)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F05 compound treatment 0.466 0.0333 1.59 0.463 0.0333 2.01 2.5401 0.9933 3121837 ChemDiv3_012435 Cc1cc(C)cc(NC(=O)CN2C=NS(=O)(=O)c3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F06 compound treatment 0.481 0.0483 2.3 0.486 0.0563 3.39 4.0249 0.9822 1505938 ChemDiv3_012436 Fc1cccc(F)c1CSc2nc3ccccc3c(=O)n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F07 compound treatment 0.465 0.0323 1.54 0.46 0.0303 1.83 2.3787 0.9964 3121838 ChemDiv3_012437 CCOc1ccccc1n2c(N)c(C#N)c(N)c(C#N)c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F08 compound treatment 0.462 0.0293 1.4 0.451 0.0213 1.28 1.8944 0.9991 1429743 ChemDiv3_012438 O=C(CSc1nc2ccccc2c3nc4ccccc4n13)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F09 compound treatment 0.477 0.0443 2.11 0.486 0.0563 3.39 3.8901 0.974 3121839 ChemDiv3_012439 NS(=O)(=O)c1ccc(CCn2c(=O)c3sc4ccccc4c3[nH]c2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F10 compound treatment 0.49 0.0573 2.73 0.471 0.0413 2.49 3.6897 0.9989 1534154 ChemDiv3_012440 O=c1n(C2CCCC2)c(=S)[nH]c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F11 compound treatment 0.461 0.0283 1.35 0.457 0.0273 1.64 2.1161 0.9951 3121840 ChemDiv3_012441 CCCCn1c(SCC(=O)NCc2ccccc2)nc3c4ccccc4sc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F12 compound treatment 0.45 0.0173 0.82 0.448 0.0183 1.1 1.3622 0.9897 1166876 ChemDiv3_012442 O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c3ccccc3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F13 compound treatment 0.516 0.0833 3.97 0.501 0.0713 4.29 5.8433 0.9992 3036601 ChemDiv3_012443 O/C(=C\1/C(=O)Nc2ccccc12)/C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F14 compound treatment 0.455 0.0223 1.06 0.461 0.0313 1.89 2.0842 0.9631 1501852 ChemDiv3_012444 O=C(CCn1c(SCC#N)nc2ccccc2c1=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F15 compound treatment 0.517 0.0843 4.02 0.528 0.0983 5.92 7.0266 0.9822 3036644 ChemDiv3_012445 CCN1C(=S)NC2C(C(=O)Nc3ccc(Cl)cc3)C1(C)Oc4ccc(Br)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F16 compound treatment 0.532 0.0993 4.73 0.533 0.103 6.22 7.745 0.9909 1342889 ChemDiv3_012446 Fc1ccc(cc1)C(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F17 compound treatment 0.467 0.0343 1.63 0.479 0.0493 2.97 3.255 0.9604 1680152 ChemDiv3_012447 COc1ccc2oc(=O)c(cc2c1)c3nc(cs3)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F18 compound treatment 0.458 0.0253 1.21 0.467 0.0373 2.25 2.4407 0.9574 1164499 ChemDiv3_012448 CCOC(=O)CSc1nc2ccc(Br)cc2c3nc4ccccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F19 compound treatment 0.478 0.0453 2.16 0.474 0.0443 2.67 3.4129 0.9945 3036647 ChemDiv3_012449 CC(C)C1N=C2N(C1=O)C(=Nc3ccccc23)SCC(=O)c4ccc(Br)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F20 compound treatment 0.528 0.0953 4.54 0.512 0.0823 4.96 6.7161 0.9991 3036648 ChemDiv3_012450 Fc1cccc(CSc2nc3ccccc3c(=O)n2C4CC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F21 compound treatment 0.455 0.0223 1.06 0.457 0.0273 1.64 1.9139 0.9776 3121841 ChemDiv3_012451 O=C(CCC1N=C2N(C1=O)C(=S)Nc3ccccc23)NC4CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F22 compound treatment 0.442 0.00928 0.44 0.44 0.0103 0.62 0.7519 0.9862 3121842 ChemDiv3_012452 Fc1ccccc1N2CCN(CC2)C(=O)CCCn3c(=O)c4cc5OCOc5cc4[nH]c3=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F23 mock treatment 0.446 0.0133 0.63 0.437 0.00731 0.44 0.759 0.9842 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 F24 mock treatment 0.438 0.00528 0.25 0.441 0.0113 0.68 0.6596 0.9084 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G01 compound treatment 0.439 0.00628 0.3 0.426 -0.00369 -0.22 0.0547 0.1468 3036650 ChemDiv3_012453 CC1Cc2cc(ccc2N1C(=O)C)S(=O)(=O)N(C)CC(=O)N(C)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G02 compound treatment 0.441 0.00828 0.39 0.45 0.0203 1.22 1.1439 0.8901 1923050 ChemDiv3_012454 O=C/1OC(=N\C1=C/c2ccccc2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G03 compound treatment 0.429 -0.00372 -0.18 0.432 0.00231 0.14 -0.0269 -0.1193 3121843 ChemDiv3_012455 CCN(CC)C(=O)Cn1cc(SCC(=O)N2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G04 compound treatment 0.44 0.00728 0.35 0.437 0.00731 0.44 0.5568 0.9931 3036653 ChemDiv3_012456 Cc1ccc(cc1C)N2C(SCC2=O)c3ccccc3C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G05 compound treatment 0.431 -0.00172 -0.08 0.441 0.0113 0.68 0.4237 0.6176 3121844 ChemDiv3_012457 O=C(CSc1cn(CC(=O)N2CCOCC2)c3ccccc13)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G06 compound treatment 0.491 0.0583 2.78 0.505 0.0753 4.53 5.1709 0.9724 3121845 ChemDiv3_012458 O=C(NCc1ccccc1)c2ccc3nc(c4cccs4)c(nc3c2)c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G07 compound treatment 0.451 0.0183 0.87 0.45 0.0203 1.22 1.481 0.9862 3036656 ChemDiv3_012459 CCOC(=O)C1=C(CN2CCC(=CC2)c3ccccc3)NC(=O)NC1c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G08 compound treatment 0.647 0.214 10.21 0.579 0.149 8.99 13.5799 0.998 3121846 ChemDiv3_012460 COc1ccc(NC(=O)c/2cc3ccc(O)cc3o\c2=N/c4ccc(cc4)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G09 compound treatment 0.428 -0.00472 -0.22 0.432 0.00231 0.14 -0.0606 -0.2291 3036658 ChemDiv3_012461 CN(C)CCN(C(=O)c1ccco1)c2nc3ccc(C)cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G10 compound treatment 0.471 0.0383 1.82 0.446 0.0163 0.98 1.9849 0.9578 3121847 ChemDiv3_012462 CCOc1cc2[nH]c(=O)n(CCC(=O)NC3CCCCC3C)c(=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G11 compound treatment 0.435 0.00228 0.11 0.429 -6.88E-4 -0.04 0.0476 0.4093 3036660 ChemDiv3_012463 COc1ccc2sc(nc2c1)N(CCN(C)C)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G12 compound treatment 0.461 0.0283 1.35 0.463 0.0333 2.01 2.3716 0.9813 3121848 ChemDiv3_012464 CCc1ccc(/N=c/2\oc3c(C)ncc(CO)c3cc2C(=O)N)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G13 compound treatment 0.471 0.0383 1.82 0.453 0.0233 1.4 2.2829 0.9916 3121849 ChemDiv3_012465 Cc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G14 compound treatment 0.623 0.19 9.07 0.619 0.189 11.4 14.4739 0.9936 1158935 ChemDiv3_012466 CCc1ccc(Nc2nc(cs2)c3cc4ccccc4oc3=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G15 compound treatment 0.429 -0.00372 -0.18 0.432 0.00231 0.14 -0.0269 -0.1193 3121850 ChemDiv3_012467 COc1ccc(Nc2nc(nc3n(C)ncc23)N4CCN(CCO)CC4)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G16 compound treatment 0.439 0.00628 0.3 0.44 0.0103 0.62 0.6508 0.9441 3036662 ChemDiv3_012468 Clc1ccc(cc1)c2nnn3c2[nH]c(=O)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G17 compound treatment 0.446 0.0133 0.63 0.44 0.0103 0.62 0.8867 1.0 1396293 ChemDiv3_012469 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)NN 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G18 compound treatment 0.494 0.0613 2.92 0.491 0.0613 3.69 4.676 0.9933 3036664 ChemDiv3_012470 Cc1ccc(c(C)c1)n2cc([nH]c2=S)c3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G19 compound treatment 0.434 0.00128 0.06 0.429 -6.88E-4 -0.04 0.0139 0.1886 3122038 ChemDiv3_012471 CCOC(=O)c1c(C)c(C)sc1NC(=O)Nc2ccc(Cl)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G20 compound treatment 0.521 0.0883 4.21 0.525 0.0953 5.74 7.0337 0.9884 3122039 ChemDiv3_012472 Cc1ccc(NC(=O)CSc2nc(cn2c3cccc(Cl)c3)c4ccc5OCOc5c4)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G21 compound treatment 0.433 2.81E-4 0.01 0.425 -0.00469 -0.28 -0.1901 -0.6728 3036666 ChemDiv3_012473 C(=N/n1cnnc1)\c2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G22 compound treatment 0.467 0.0343 1.63 0.488 0.0583 3.51 3.6382 0.9395 3035632 ChemDiv3_012474 O=C(CSc1nc2ccccc2c3nc4ccccc4n13)NCc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G23 mock treatment 0.428 -0.00472 -0.22 0.432 0.00231 0.14 -0.0606 -0.2291 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 G24 mock treatment 0.425 -0.00772 -0.37 0.432 0.00231 0.14 -0.1617 -0.4111 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H01 compound treatment 0.446 0.0133 0.63 0.458 0.0283 1.7 1.6531 0.9091 3035560 ChemDiv3_012475 COc1ccc(OCC(=O)Nn2c(=O)c3cccnc3[nH]c2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H02 compound treatment 0.427 -0.00572 -0.27 0.436 0.00631 0.38 0.076 0.1625 3035562 ChemDiv3_012476 Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc5ccc(C)cc5)n3n2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H03 compound treatment 0.437 0.00428 0.2 0.434 0.00431 0.26 0.3279 0.9929 3035563 ChemDiv3_012477 O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H04 compound treatment 0.432 -7.19E-4 -0.03 0.436 0.00631 0.38 0.2445 0.6408 1726645 ChemDiv3_012478 COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)C(C)(C)C)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H05 compound treatment 0.466 0.0333 1.59 0.492 0.0623 3.75 3.7748 0.9267 3035566 ChemDiv3_012479 Clc1ccc(cc1)N2C(=O)N(Cc3cc(=O)n4ccccc4n3)c5ccccc5S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H06 compound treatment 0.434 0.00128 0.06 0.44 0.0103 0.62 0.4822 0.7729 1217521 ChemDiv3_012480 Cc1ccc(CSc2nc3ccccc3c(=O)n2CCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H07 compound treatment 0.439 0.00628 0.3 0.447 0.0173 1.04 0.9488 0.8748 3035568 ChemDiv3_012481 Nc1c(C#N)c(N)n(CC2CCCO2)c(=S)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H08 compound treatment 0.434 0.00128 0.06 0.437 0.00731 0.44 0.3545 0.7976 1739931 ChemDiv3_012482 COC(=O)c1ccc2c3nc4ccccc4n3c(SCc5ccccc5Cl)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H09 compound treatment 0.488 0.0553 2.64 0.474 0.0443 2.67 3.75 1.0 3122040 ChemDiv3_012483 CCCCC(CC)Cn1c(=O)c2sc3ccccc3c2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H10 compound treatment 0.448 0.0153 0.73 0.456 0.0263 1.58 1.6353 0.9378 1290113 ChemDiv3_012484 O=c1n(CC2COc3ccccc3O2)c(=S)[nH]c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H11 compound treatment 0.433 2.81E-4 0.01 0.443 0.0133 0.8 0.5763 0.7188 3122041 ChemDiv3_012485 CCCCn1c(SCC(=O)NC2CCCC2)nc3c4ccccc4sc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H12 compound treatment 0.481 0.0483 2.3 0.483 0.0533 3.21 3.8972 0.9867 1516861 ChemDiv3_012486 O=C(Cc1ccccc1)Nn2c(SCC(=O)c3ccccc3)nc4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H13 compound treatment 0.516 0.0833 3.97 0.494 0.0643 3.87 5.5453 0.9999 3122042 ChemDiv3_012487 O/C(=C\1/C(=O)Nc2ccccc12)/C(=O)Nc3ccc4ccccc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H14 compound treatment 0.504 0.0713 3.4 0.509 0.0793 4.78 5.7794 0.9861 1425823 ChemDiv3_012488 COc1cccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H15 compound treatment 0.443 0.0103 0.49 0.453 0.0233 1.4 1.3391 0.9007 3035573 ChemDiv3_012489 CC1(CC2NC(=S)N1c3ccccc3)Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H16 compound treatment 0.428 -0.00472 -0.22 0.437 0.00731 0.44 0.1523 0.308 1579697 ChemDiv3_012490 CCOC(CCn1c(SCc2cc(=O)n3ccccc3n2)nc4ccccc4c1=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H17 compound treatment 0.474 0.0413 1.97 0.481 0.0513 3.09 3.5761 0.9763 1412676 ChemDiv3_012491 CC(=O)Oc1ccc2cc(c3nc(c(C)s3)c4ccccc4)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H18 compound treatment 0.433 2.81E-4 0.01 0.436 0.00631 0.38 0.2782 0.7316 3122043 ChemDiv3_012492 CCC(C)NC(=O)CSc1nc2ccc(Br)cc2c3nc4ccccc4n13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H19 compound treatment 0.438 0.00528 0.25 0.434 0.00431 0.26 0.3616 0.9999 3122044 ChemDiv3_012493 CC(C)C1N=C2N(C1=O)C(=Nc3ccccc23)SCc4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H20 compound treatment 0.512 0.0793 3.78 0.513 0.0833 5.02 6.2194 0.9903 3035576 ChemDiv3_012494 CCN(CCCn1c(=O)c2cc3OCOc3cc2[nH]c1=S)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H21 compound treatment 0.49 0.0573 2.73 0.463 0.0333 2.01 3.3491 0.9885 3122045 ChemDiv3_012495 O=C(CC1N=C2N(C1=O)C(=S)Nc3ccccc23)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H22 compound treatment 0.436 0.00328 0.16 0.43 3.12E-4 0.02 0.1239 0.7865 3035579 ChemDiv3_012496 C=CCNC(=O)CCn1c(=O)c2cc3OCOc3cc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H23 mock treatment 0.431 -0.00172 -0.08 0.435 0.00531 0.32 0.1682 0.5095 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 H24 mock treatment 0.435 0.00228 0.11 0.421 -0.00869 -0.52 -0.293 -0.5484 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I01 compound treatment 0.553 0.12 5.73 0.529 0.0993 5.98 8.2826 0.9998 3122046 ChemDiv3_012497 Cc1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2Cc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I02 compound treatment 0.507 0.0743 3.54 0.521 0.0913 5.5 6.3915 0.9774 3035581 ChemDiv3_012498 COc1ccc(cc1)C2=N/C(=C\c3ccco3)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I03 compound treatment 0.443 0.0103 0.49 0.436 0.00631 0.38 0.6153 0.9921 3122047 ChemDiv3_012499 CCN(CC)C(=O)Cn1cc(SCC(=O)N)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I04 compound treatment 0.435 0.00228 0.11 0.436 0.00631 0.38 0.3456 0.8743 1325020 ChemDiv3_012500 COc1ccc(cc1)N2C(SCC2=O)c3cccc(OC)c3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I05 compound treatment 0.437 0.00428 0.2 0.438 0.00831 0.5 0.4982 0.9218 3035634 ChemDiv3_012501 CC1CCN(CC1)C(=O)Cn2cc(SCC(=O)N3CCc4ccccc34)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I06 compound treatment 0.549 0.116 5.54 0.566 0.136 8.21 9.723 0.9817 3035635 ChemDiv3_012502 CCC(C)NC(=O)c1ccc2nc(c3cccs3)c(nc2c1)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I07 compound treatment 0.435 0.00228 0.11 0.445 0.0153 0.92 0.7288 0.7851 3035637 ChemDiv3_012503 Cc1cc([nH]n1)C(=O)N2CCN(Cc3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I08 compound treatment 0.446 0.0133 0.63 0.444 0.0143 0.86 1.057 0.9885 3035638 ChemDiv3_012504 COc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I09 compound treatment 0.443 0.0103 0.49 0.445 0.0153 0.92 0.9985 0.9563 3122048 ChemDiv3_012505 COc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I10 compound treatment 0.448 0.0153 0.73 0.448 0.0183 1.1 1.2947 0.9798 3122049 ChemDiv3_012506 CC1CCCC(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I11 compound treatment 0.444 0.0113 0.54 0.44 0.0103 0.62 0.8193 0.9974 3035641 ChemDiv3_012507 COc1ccc2sc(nc2c1)N(CCN(C)C)C(=O)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I12 compound treatment 0.444 0.0113 0.54 0.453 0.0233 1.4 1.3728 0.9133 3122050 ChemDiv3_012508 Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3)/c(=N/c4ccccc4)/oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I13 compound treatment 0.52 0.0873 4.16 0.515 0.0853 5.14 6.5742 0.9945 3035643 ChemDiv3_012509 COc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)Nc3ccc(cc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I14 compound treatment 0.448 0.0153 0.73 0.446 0.0163 0.98 1.2096 0.9892 3122051 ChemDiv3_012510 CC(=O)N(c1nc(cs1)c2cc3ccccc3oc2=O)c4cccc(C)c4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I15 compound treatment 0.432 -7.19E-4 -0.03 0.437 0.00731 0.44 0.2871 0.6501 3035645 ChemDiv3_012511 COc1ccccc1N2CCN(CC2)c3nc(Nc4ccc(C)cc4)c5cnn(C)c5n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I16 compound treatment 0.45 0.0173 0.82 0.452 0.0223 1.34 1.5325 0.9724 3122052 ChemDiv3_012512 FC(F)(F)c1cccc(c1)c2nnn3c2[nH]c(=O)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I17 compound treatment 0.478 0.0453 2.16 0.47 0.0403 2.43 3.2426 0.9983 3035648 ChemDiv3_012513 Oc1c(Br)cc(Br)cc1/C=N/N2C(=O)CSC2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I18 compound treatment 0.476 0.0433 2.06 0.463 0.0333 2.01 2.8772 0.9999 3122053 ChemDiv3_012514 Fc1ccc(cc1)n2cc([nH]c2=S)c3ccc4OCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I19 compound treatment 0.433 2.81E-4 0.01 0.433 0.00331 0.2 0.1505 0.7529 3122054 ChemDiv3_012515 C1COCCOc2cc(/N=C\c3c[nH]c4ccccc34)ccc2OCCO1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I20 compound treatment 0.463 0.0303 1.44 0.447 0.0173 1.04 1.7578 0.9872 3035650 ChemDiv3_012516 CC(C)(C)C1=Nn2c(nnc2SC1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I21 compound treatment 0.438 0.00528 0.25 0.429 -6.88E-4 -0.04 0.1487 0.583 3122055 ChemDiv3_012517 CN(/N=C/c1ccc(C)o1)C2=NCCN2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I22 compound treatment 0.443 0.0103 0.49 0.443 0.0133 0.8 0.9133 0.9721 3035652 ChemDiv3_012518 O=C(CSc1nc2ccccc2c3nc4ccccc4n13)NCCc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I23 mock treatment 0.434 0.00128 0.06 0.429 -6.88E-4 -0.04 0.0139 0.1886 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 I24 mock treatment 0.446 0.0133 0.63 0.433 0.00331 0.2 0.5887 0.8869 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J01 compound treatment 0.458 0.0253 1.21 0.45 0.0203 1.22 1.717 1.0 3122056 ChemDiv3_012519 C=CCNC(=O)Cn1c(=O)c2cccnc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J02 compound treatment 0.424 -0.00872 -0.42 0.43 3.12E-4 0.02 -0.2806 -0.6744 3122057 ChemDiv3_012520 Cc1nc2c3ccccc3nc(SCc4cc(F)cc5COCOc45)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J03 compound treatment 0.436 0.00328 0.16 0.43 3.12E-4 0.02 0.1239 0.7865 3035654 ChemDiv3_012521 CC(CC(=O)O)CC1=Nc2ccccc2S(=O)(=O)N1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J04 compound treatment 0.451 0.0183 0.87 0.457 0.0273 1.64 1.779 0.9559 1191560 ChemDiv3_012522 CC1CCCC(C1C)n2c(=O)c3ccccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J05 compound treatment 0.488 0.0553 2.64 0.494 0.0643 3.87 4.6015 0.9824 3122058 ChemDiv3_012523 Clc1ccc(cc1)N2C(=O)N(CC(=O)N3CCCc4ccccc34)c5ccccc5S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J06 compound treatment 0.5 0.0673 3.21 0.528 0.0983 5.92 6.4535 0.9586 1311026 ChemDiv3_012524 Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J07 compound treatment 0.444 0.0113 0.54 0.451 0.0213 1.28 1.2876 0.9255 3035657 ChemDiv3_012525 CSc1nc2c3ccccc3sc2c(=O)n1c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J08 compound treatment 0.442 0.00928 0.44 0.437 0.00731 0.44 0.6242 1.0 1488534 ChemDiv3_012526 CC1CCCCC1NC(=O)c2ccc3c(=O)n(CCCN4CCCC4=O)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J09 compound treatment 0.438 0.00528 0.25 0.433 0.00331 0.2 0.319 0.9933 3122059 ChemDiv3_012527 Fc1ccccc1N2CCN(CCCn3c(=O)c4sc5ccccc5c4[nH]c3=S)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J10 compound treatment 0.45 0.0173 0.82 0.457 0.0273 1.64 1.7453 0.9489 1733498 ChemDiv3_012528 CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J11 compound treatment 0.474 0.0413 1.97 0.477 0.0473 2.85 3.4058 0.9837 3035717 ChemDiv3_012529 O=c1n(C2CCCCC2)c(SCC#N)nc3c4ccccc4sc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J12 compound treatment 0.431 -0.00172 -0.08 0.439 0.00931 0.56 0.3385 0.5974 3035719 ChemDiv3_012530 O=c1n(CCn2c(SCC#N)nc3ccccc3c2=O)c(SCC#N)nc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J13 compound treatment 0.434 0.00128 0.06 0.44 0.0103 0.62 0.4822 0.7729 3443559 ChemDiv3_012531 CCOC(=O)C1C2NC(=S)N(c3ccccc3)C1(C)Oc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J14 compound treatment 0.438 0.00528 0.25 0.445 0.0153 0.92 0.8299 0.8684 1675251 ChemDiv3_012532 O=C(NCC1CCCO1)c2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J15 compound treatment 0.476 0.0433 2.06 0.472 0.0423 2.55 3.2604 0.9945 3035721 ChemDiv3_012533 COc1ccc(CCN2C(=S)NC3CC2(C)Oc4c(OC)cc(Br)cc34)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J16 compound treatment 0.442 0.00928 0.44 0.443 0.0133 0.8 0.8796 0.9608 1729416 ChemDiv3_012534 CCOC(=O)N1CCC(CC1)n2c(SCC(=O)Nc3ccc(C)cc3)nc4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J17 compound treatment 0.509 0.0763 3.64 0.52 0.0903 5.44 6.4163 0.9809 1733506 ChemDiv3_012535 CC(=O)Oc1ccc2cc(c3nc-4c(CCc5ccccc45)s3)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J18 compound treatment 0.439 0.00628 0.3 0.431 0.00131 0.08 0.2676 0.8641 1577061 ChemDiv3_012536 CCC(Sc1nc2ccc(Br)cc2c3nc4ccccc4n13)C(=O)NCC5CCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J19 compound treatment 0.442 0.00928 0.44 0.434 0.00431 0.26 0.4965 0.9677 3122243 ChemDiv3_012537 COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C4=NC(C(C)C)C(=O)N42)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J20 compound treatment 0.434 0.00128 0.06 0.433 0.00331 0.2 0.1842 0.8832 3035725 ChemDiv3_012538 Clc1ccccc1CCn2c(=O)c3cc4OCOc4cc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J21 compound treatment 0.441 0.00828 0.39 0.437 0.00731 0.44 0.5905 0.9985 3122244 ChemDiv3_012539 CC(C)NC(=O)CC1N=C2N(C1=O)C(=S)Nc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J22 compound treatment 0.428 -0.00472 -0.22 0.43 3.12E-4 0.02 -0.1458 -0.6457 3122245 ChemDiv3_012540 CCOC(=O)N1CCN(CC1)C(=O)CCn2c(=O)c3cc4OCOc4cc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J23 mock treatment 0.432 -7.19E-4 -0.03 0.43 3.12E-4 0.02 -0.0109 -0.2794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 J24 mock treatment 0.433 2.81E-4 0.01 0.429 -6.88E-4 -0.04 -0.0198 -0.4548 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K01 compound treatment 0.438 0.00528 0.25 0.44 0.0103 0.62 0.6171 0.921 3035727 ChemDiv3_012541 O=C(CSc1nc2CCSc2c(=O)n1Cc3ccccc3)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K02 compound treatment 0.488 0.0553 2.64 0.495 0.0653 3.93 4.6441 0.981 3122246 ChemDiv3_012542 COc1ccc(/C=C/2\N=C(\OC2=O)/C=C/c3ccc(C)cc3)cc1OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K03 compound treatment 0.467 0.0343 1.63 0.467 0.0373 2.25 2.7441 0.9878 3035729 ChemDiv3_012543 CCN(CC)C(=O)Cn1cc(SCc2ccccc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K04 compound treatment 0.441 0.00828 0.39 0.454 0.0243 1.46 1.3142 0.8668 1694239 ChemDiv3_012544 Cc1onc(c1C(=O)NCC2(CC3CC4CC(C3)C2)C4)c5ccccc5Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K05 compound treatment 0.433 2.81E-4 0.01 0.443 0.0133 0.8 0.5763 0.7188 3122247 ChemDiv3_012545 CNC(=O)CSc1cn(CC(=O)N2CCC(C)CC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K06 compound treatment 0.558 0.125 5.97 0.558 0.128 7.73 9.6858 0.9919 3035731 ChemDiv3_012546 CC(C)CCNC(=O)c1ccc2nc(c3cccs3)c(nc2c1)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K07 compound treatment 0.441 0.00828 0.39 0.476 0.0463 2.79 2.2509 0.7992 3122248 ChemDiv3_012547 Fc1ccc(cc1)c2cc([nH]n2)C(=O)N3CCN(CC3)c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K08 compound treatment 0.443 0.0103 0.49 0.447 0.0173 1.04 1.0836 0.9408 3035733 ChemDiv3_012548 O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K09 compound treatment 0.435 0.00228 0.11 0.437 0.00731 0.44 0.3882 0.856 3122249 ChemDiv3_012549 CN(C)CCN(C(=O)c1ccc(Br)cc1)c2nc3ccc(Cl)cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K10 compound treatment 0.455 0.0223 1.06 0.448 0.0183 1.1 1.5307 0.9998 3122250 ChemDiv3_012550 CC(C)CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K11 compound treatment 0.438 0.00528 0.25 0.442 0.0123 0.74 0.7022 0.8969 3035735 ChemDiv3_012551 CN(C)CCN(C(=O)C)c1nc2cc(C)cc(C)c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K12 compound treatment 0.448 0.0153 0.73 0.449 0.0193 1.16 1.3373 0.9746 3122251 ChemDiv3_012552 Cc1ncc(CO)c2cc(c3nnc(Nc4cc(ccc4Cl)C(F)(F)F)s3)c(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K13 compound treatment 0.438 0.00528 0.25 0.453 0.0233 1.4 1.1705 0.8208 3035787 ChemDiv3_012553 COc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)NCc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K14 compound treatment 0.45 0.0173 0.82 0.444 0.0143 0.86 1.1919 0.9997 3035789 ChemDiv3_012554 CCOC(=O)c1ccc(cc1)N(C(=O)C)c2nc(cs2)c3cc4cccc(OCC)c4oc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K15 compound treatment 0.443 0.0103 0.49 0.438 0.00831 0.5 0.7005 0.9999 3035791 ChemDiv3_012555 COc1ccc(cc1OC)C(CC(=O)NCc2ccc(C)cc2)N3Cc4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K16 compound treatment 0.451 0.0183 0.87 0.455 0.0253 1.52 1.6939 0.9648 3035793 ChemDiv3_012556 COc1ccc(CCNC(=O)c2nnn(c2N)c3cccc(C)c3)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K17 compound treatment 0.456 0.0233 1.11 0.465 0.0353 2.13 2.2882 0.9541 3035794 ChemDiv3_012557 COc1cccc(/C=N/N2C(=O)CSC2=S)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K18 compound treatment 0.452 0.0193 0.92 0.446 0.0163 0.98 1.3444 0.9995 3035796 ChemDiv3_012558 COc1cccc2cc(c3cn(c4ccc(F)c(F)c4)c(=S)[nH]3)c(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K19 compound treatment 0.431 -0.00172 -0.08 0.431 0.00131 0.08 -0.0021 -0.0181 3122252 ChemDiv3_012559 Clc1ccc(/C=N\c2ccc3OCCOCCOCCOc3c2)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K20 compound treatment 0.442 0.00928 0.44 0.456 0.0263 1.58 1.4331 0.8712 3035798 ChemDiv3_012560 Brc1ccc(cc1)C2=Nn3c(SC2)nc4ccccc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K21 compound treatment 0.489 0.0563 2.68 0.488 0.0583 3.51 4.3797 0.9912 3122253 ChemDiv3_012561 Cc1ccc(cc1)C2=N/C(=C\c3ccco3)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K22 compound treatment 0.439 0.00628 0.3 0.442 0.0123 0.74 0.7359 0.9205 3035800 ChemDiv3_012562 CCN(C(=O)CSc1nc2ccccc2c3nc4ccccc4n13)c5cccc(C)c5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K23 mock treatment 0.432 -7.19E-4 -0.03 0.424 -0.00569 -0.34 -0.2664 -0.774 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 K24 mock treatment 0.439 0.00628 0.3 0.443 0.0133 0.8 0.7785 0.9098 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L01 compound treatment 0.464 0.0313 1.49 0.482 0.0523 3.15 3.2816 0.9417 3122254 ChemDiv3_012563 COC(=O)c1cccnc1NC(=S)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L02 compound treatment 0.438 0.00528 0.25 0.434 0.00431 0.26 0.3616 0.9999 3122255 ChemDiv3_012564 CCC(Sc1nc2ccccc2c3nc(C)nn13)C(=O)Nc4cc(OC)ccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L03 compound treatment 0.444 0.0113 0.54 0.449 0.0193 1.16 1.2025 0.9386 3035802 ChemDiv3_012565 OC(=O)CC1(CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L04 compound treatment 0.452 0.0193 0.92 0.461 0.0313 1.89 1.983 0.9455 1540848 ChemDiv3_012566 CSc1nc2ccccc2c(=O)n1C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L05 compound treatment 0.475 0.0423 2.02 0.484 0.0543 3.27 3.7375 0.973 3122256 ChemDiv3_012567 Cc1ccc(cc1Cl)N2C(=O)N(CC(=O)Nc3ccccc3)c4ccccc4S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L06 compound treatment 0.449 0.0163 0.78 0.447 0.0173 1.04 1.2859 0.9895 1685213 ChemDiv3_012568 Brc1ccccc1OCC(=O)Nn2c(=O)c3ccccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L07 compound treatment 0.441 0.00828 0.39 0.45 0.0203 1.22 1.1439 0.8901 3122257 ChemDiv3_012569 O=C(CSc1nc2c3ccccc3sc2c(=O)n1c4ccccc4)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L08 compound treatment 0.44 0.00728 0.35 0.438 0.00831 0.5 0.5993 0.984 3035806 ChemDiv3_012570 O=C(NCCCN1CCOCC1)c2ccc3c(=O)n(CCCN4CCCC4=O)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L09 compound treatment 0.441 0.00828 0.39 0.439 0.00931 0.56 0.6756 0.9853 3122258 ChemDiv3_012571 CCN(CC)CCn1c(SCC(=O)Nc2cccc(OC)c2)nc3c4ccccc4sc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L10 compound treatment 0.519 0.0863 4.11 0.531 0.101 6.1 7.2217 0.9816 1627035 ChemDiv3_012572 Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC4COc5ccccc5O4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L11 compound treatment 0.451 0.0183 0.87 0.459 0.0293 1.76 1.8642 0.9471 3035808 ChemDiv3_012573 Cc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CC5CCCO5)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L12 compound treatment 0.467 0.0343 1.63 0.471 0.0413 2.49 2.9144 0.9792 1362140 ChemDiv3_012574 CCOC(Cn1c(SCC#N)nc2ccccc2c1=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L13 compound treatment 0.445 0.0123 0.59 0.448 0.0183 1.1 1.1936 0.9561 3122259 ChemDiv3_012575 CCOc1cccc2C3NC(=S)N(CCOC)C(C)(Oc12)C3C(=O)Nc4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L14 compound treatment 0.436 0.00328 0.16 0.444 0.0143 0.86 0.72 0.822 1500074 ChemDiv3_012576 O=C(NC1CCCCC1)c2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L15 compound treatment 0.51 0.0773 3.68 0.495 0.0653 3.93 5.3856 0.9995 3122260 ChemDiv3_012577 CC1(CC2C(C(=O)c3ccccc3)C(=O)N1)Oc4c(Br)cc(Br)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L16 compound treatment 0.448 0.0153 0.73 0.456 0.0263 1.58 1.6353 0.9378 1425362 ChemDiv3_012578 COc1ccc(CCNC(=O)CCn2c(SCC#N)nc3ccccc3c2=O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L17 compound treatment 0.454 0.0213 1.01 0.456 0.0263 1.58 1.8376 0.9768 3036527 ChemDiv3_012579 CCN(CC)C(=O)CSC1=Nc2ccccc2C3=NC(Cc4c[nH]c5ccccc45)C(=O)N31 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L18 compound treatment 0.445 0.0123 0.59 0.443 0.0133 0.8 0.9807 0.9881 1179823 ChemDiv3_012580 CN(Cc1ccccc1)C(=O)CSc2nc3ccc(Br)cc3c4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L19 compound treatment 0.449 0.0163 0.78 0.454 0.0243 1.46 1.5839 0.956 3036529 ChemDiv3_012581 CCc1ccc(NC(=O)CSC2=Nc3ccccc3C4=NC(C(C)C)C(=O)N42)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L20 compound treatment 0.437 0.00428 0.2 0.44 0.0103 0.62 0.5834 0.8925 3036532 ChemDiv3_012582 OC(=O)CCCn1c(=O)c2cc3OCOc3cc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L21 compound treatment 0.436 0.00328 0.16 0.435 0.00531 0.32 0.3368 0.9459 3036534 ChemDiv3_012583 O=C(CCC1N=C2N(C1=O)C(=Nc3ccccc23)SCC#N)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L22 compound treatment 0.434 0.00128 0.06 0.431 0.00131 0.08 0.0991 0.9919 3036535 ChemDiv3_012584 O=C(CCn1c(=O)c2cc3OCOc3cc2[nH]c1=S)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L23 mock treatment 0.444 0.0113 0.54 0.439 0.00931 0.56 0.7767 0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 L24 mock treatment 0.444 0.0113 0.54 0.433 0.00331 0.2 0.5213 0.9089 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M01 compound treatment 0.445 0.0123 0.59 0.447 0.0173 1.04 1.151 0.9628 3122261 ChemDiv3_012585 Cc1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2CCc4ccccc4)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M02 compound treatment 0.459 0.0263 1.25 0.453 0.0233 1.4 1.8784 0.9984 3036538 ChemDiv3_012586 Clc1ccc(cc1)C2=N/C(=C\c3ccccc3)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M03 compound treatment 0.433 2.81E-4 0.01 0.439 0.00931 0.56 0.406 0.7238 3122262 ChemDiv3_012587 CCN(CC)C(=O)Cn1cc(SCC(=O)N(C(C)C)C(C)C)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M04 compound treatment 0.503 0.0703 3.35 0.515 0.0853 5.14 6.0012 0.9786 3036541 ChemDiv3_012588 Nc1ccc(Br)cc1c2nc3ccccc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M05 compound treatment 0.439 0.00628 0.3 0.442 0.0123 0.74 0.7359 0.9205 3122263 ChemDiv3_012589 CCN(CC)C(=O)Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M06 compound treatment 0.602 0.169 8.07 0.618 0.188 11.34 13.7234 0.9861 3036544 ChemDiv3_012590 O=C(NCc1cccnc1)c2ccc3nc(c4ccco4)c(nc3c2)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M07 compound treatment 0.437 0.00428 0.2 0.436 0.00631 0.38 0.4131 0.9575 3122457 ChemDiv3_012591 Clc1ccc(cc1)c2cc([nH]n2)C(=O)N3CCN(CC3)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M08 compound treatment 0.466 0.0333 1.59 0.458 0.0283 1.7 2.3272 0.9994 3036547 ChemDiv3_012592 O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M09 compound treatment 0.427 -0.00572 -0.27 0.432 0.00231 0.14 -0.0943 -0.3081 3036603 ChemDiv3_012593 CN(C)CCN(C(=O)C1CCCCC1)c2nc3ccc(Br)cc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M10 compound treatment 0.471 0.0383 1.82 0.468 0.0383 2.31 2.9215 0.9933 3036605 ChemDiv3_012594 CC1CCCCC1NC(=O)c2ccc3c(=O)n(Cc4ccc5OCOc5c4)c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M11 compound treatment 0.438 0.00528 0.25 0.438 0.00831 0.5 0.5319 0.9494 3036607 ChemDiv3_012595 CN(C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c3nc4c(F)cc(F)cc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M12 compound treatment 0.459 0.0263 1.25 0.46 0.0303 1.83 2.1764 0.9832 3036609 ChemDiv3_012596 Cc1ncc(CO)c2cc(C(=O)Nc3ccc(I)cc3)c(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M13 compound treatment 0.44 0.00728 0.35 0.449 0.0193 1.16 1.0677 0.8798 3036611 ChemDiv3_012597 COc1ccc(cc1)S(=O)(=O)Nc2cncc(c2)C(=O)N3CCN(CC3)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M14 compound treatment 0.477 0.0443 2.11 0.483 0.0533 3.21 3.7624 0.9793 3036613 ChemDiv3_012598 CC(=O)N(c1nc(cs1)c2cc3ccccc3oc2=O)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M15 compound treatment 0.432 -7.19E-4 -0.03 0.429 -6.88E-4 -0.04 -0.0535 -0.9956 3122458 ChemDiv3_012599 CCOC(=O)c1sc2ncn(/N=C/c3ccc4OCCOc4c3)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M16 compound treatment 0.481 0.0483 2.3 0.485 0.0553 3.33 3.9824 0.9837 3036615 ChemDiv3_012600 Cc1cccc(NC(=O)c2nnn(c2N)c3cccc(c3)C(F)(F)F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M17 compound treatment 0.474 0.0413 1.97 0.471 0.0413 2.49 3.1504 0.9933 3122459 ChemDiv3_012601 Cc1c(/N=C/c2cc(Br)cc(Br)c2O)cccc1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M18 compound treatment 0.441 0.00828 0.39 0.451 0.0213 1.28 1.1865 0.8838 3036617 ChemDiv3_012602 Cc1cccc(c1)n2cc([nH]c2=S)c3cc4cc(Cl)ccc4oc3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M19 compound treatment 0.438 0.00528 0.25 0.433 0.00331 0.2 0.319 0.9933 3122460 ChemDiv3_012603 OC(=O)c1cc(/C=N\c2ccc3OCCOCCOCCOc3c2)ccc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M20 compound treatment 0.437 0.00428 0.2 0.438 0.00831 0.5 0.4982 0.9218 3122461 ChemDiv3_012604 O=C(NCCc1ccccc1)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M21 compound treatment 0.458 0.0253 1.21 0.494 0.0643 3.87 3.5903 0.8853 3036619 ChemDiv3_012605 Fc1ccccc1C2=N/C(=C\c3cccc(c3)C(F)(F)F)/C(=O)O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M22 compound treatment 0.436 0.00328 0.16 0.437 0.00731 0.44 0.4219 0.903 3122462 ChemDiv3_012606 CC1CC(C)CN(C1)C(=O)CSc2nc3ccccc3c4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M23 mock treatment 0.432 -7.19E-4 -0.03 0.427 -0.00269 -0.16 -0.1386 -0.8382 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 M24 mock treatment 0.439 0.00628 0.3 0.433 0.00331 0.2 0.3528 0.9805 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N01 compound treatment 0.442 0.00928 0.44 0.452 0.0223 1.34 1.2628 0.8928 3036622 ChemDiv3_012607 Cc1ccc(C)c(Cn2c(C)nc3n(c4ccccc4)c(=S)sc3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N02 compound treatment 0.447 0.0143 0.68 0.449 0.0193 1.16 1.3036 0.9675 3122463 ChemDiv3_012608 Cc1nc2c3ccccc3nc(SCc4cccc(c4)C(F)(F)F)n2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N03 compound treatment 0.431 -0.00172 -0.08 0.438 0.00831 0.5 0.296 0.5836 3122464 ChemDiv3_012609 CC(CC(=O)N1CCc2ccccc2C1)CC3=Nc4ccccc4S(=O)(=O)N3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N04 compound treatment 0.466 0.0333 1.59 0.468 0.0383 2.31 2.753 0.9833 1247070 ChemDiv3_012610 Fc1ccccc1CSc2nc3ccccc3c(=O)n2CCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N05 compound treatment 0.445 0.0123 0.59 0.453 0.0233 1.4 1.4065 0.9248 3122465 ChemDiv3_012611 CCN(C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)S(=O)(=O)c3ccccc13)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N06 compound treatment 0.561 0.128 6.12 0.458 0.0283 1.7 5.5295 0.871 3036627 ChemDiv3_012612 Clc1ccc(CNC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N07 compound treatment 0.439 0.00628 0.3 0.442 0.0123 0.74 0.7359 0.9205 3035583 ChemDiv3_012613 NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N08 compound treatment 0.444 0.0113 0.54 0.463 0.0333 2.01 1.7985 0.8661 1730072 ChemDiv3_012614 CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N09 compound treatment 0.476 0.0433 2.06 0.475 0.0453 2.73 3.3881 0.9905 3035585 ChemDiv3_012615 Cc1cc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCc5ccccc5)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N10 compound treatment 0.439 0.00628 0.3 0.438 0.00831 0.5 0.5656 0.9698 1416226 ChemDiv3_012616 Clc1ccc(CSc2nc3ccccc3c(=O)n2CC4COc5ccccc5O4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N11 compound treatment 0.463 0.0303 1.44 0.449 0.0193 1.16 1.8429 0.9943 3035588 ChemDiv3_012617 O=C(CSc1nc2c3ccccc3sc2c(=O)n1CC4CCCO4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N12 compound treatment 0.482 0.0493 2.35 0.478 0.0483 2.91 3.718 0.9944 1410674 ChemDiv3_012618 CCOC(Cn1c(SCc2c(F)cccc2Cl)nc3ccccc3c1=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N13 compound treatment 0.467 0.0343 1.63 0.463 0.0333 2.01 2.5738 0.9948 3122466 ChemDiv3_012619 COc1cccc2C3NC(=S)N(c4ccc(F)cc4)C(C)(Oc12)C3C(=O)Nc5ccc(C)cc5C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N14 compound treatment 0.439 0.00628 0.3 0.427 -0.00269 -0.16 0.0973 0.2859 1265476 ChemDiv3_012620 CCOC(=O)N1CCC(CC1)n2c(SCC(=O)NC(C)CC)nc3ccccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N15 compound treatment 0.465 0.0323 1.54 0.465 0.0353 2.13 2.5915 0.9874 3035592 ChemDiv3_012621 COc1ccc(/C=C/C(=C/2\C3C4CCCC4(Oc5ccccc35)N(C)C2=O)/O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N16 compound treatment 0.502 0.0693 3.3 0.508 0.0783 4.72 5.6694 0.9848 1632146 ChemDiv3_012622 Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)NCc4ccco4)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N17 compound treatment 0.461 0.0283 1.35 0.46 0.0303 1.83 2.2438 0.9889 3122467 ChemDiv3_012623 Fc1ccc(cc1)C(=O)CSC2=Nc3ccccc3C4=NC(Cc5ccccc5)C(=O)N42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N18 compound treatment 0.441 0.00828 0.39 0.445 0.0153 0.92 0.9311 0.9284 1249888 ChemDiv3_012624 CCOC(CCn1c(=O)c2ccc(cc2[nH]c1=S)C(=O)OC)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N19 compound treatment 0.431 -0.00172 -0.08 0.431 0.00131 0.08 -0.0021 -0.0181 3122468 ChemDiv3_012625 COc1cccc(NC(=O)CSC2=Nc3ccccc3C4=NC(C(C)C)C(=O)N42)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N20 compound treatment 0.45 0.0173 0.82 0.454 0.0243 1.46 1.6176 0.963 3035596 ChemDiv3_012626 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc4ccco4)C(=O)Nc5ccccc5OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N21 compound treatment 0.438 0.00528 0.25 0.429 -6.88E-4 -0.04 0.1487 0.583 3122469 ChemDiv3_012627 O=C(CCC1N=C2N(C1=O)C(=Nc3ccccc23)SCC#N)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N22 compound treatment 0.424 -0.00872 -0.42 0.424 -0.00569 -0.34 -0.536 -0.9954 3122470 ChemDiv3_012628 Cc1cccc(N2CCN(CC2)C(=O)CCn3c(=O)c4cc5OCOc5cc4[nH]c3=S)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N23 mock treatment 0.431 -0.00172 -0.08 0.427 -0.00269 -0.16 -0.1724 -0.9503 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 N24 mock treatment 0.44 0.00728 0.35 0.429 -6.88E-4 -0.04 0.2162 0.6184 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O01 compound treatment 0.501 0.0683 3.25 0.478 0.0483 2.91 4.3585 0.9984 3035598 ChemDiv3_012629 O=C(CSc1nc2CCSc2c(=O)n1CCc3ccccc3)Nc4nccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O02 compound treatment 0.612 0.179 8.55 0.609 0.179 10.8 13.6773 0.9933 3122471 ChemDiv3_012630 O=C/1O/C(=N\C1=C\c2ccco2)/C=C/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O03 compound treatment 0.435 0.00228 0.11 0.434 0.00431 0.26 0.2605 0.9254 3122472 ChemDiv3_012631 O=C(CSc1cn(CC(=O)N2CCCC2)c3ccccc13)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O04 compound treatment 0.444 0.0113 0.54 0.442 0.0123 0.74 0.9045 0.9876 1274089 ChemDiv3_012632 Oc1ncnc2nc(c3ccccc3)c(nc12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O05 compound treatment 0.442 0.00928 0.44 0.443 0.0133 0.8 0.8796 0.9608 3122473 ChemDiv3_012633 CCN(CC)C(=O)Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccccc3C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O06 compound treatment 0.45 0.0173 0.82 0.456 0.0263 1.58 1.7028 0.9536 3035659 ChemDiv3_012634 Clc1ccc(/N=c/2\oc3ccccc3cc2C(=O)Nc4nccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O07 compound treatment 0.431 -0.00172 -0.08 0.441 0.0113 0.68 0.4237 0.6176 3035660 ChemDiv3_012635 O=C(NCc1ccccc1)N2CCSc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O08 compound treatment 0.449 0.0163 0.78 0.448 0.0183 1.1 1.3285 0.9852 3035662 ChemDiv3_012636 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O09 compound treatment 0.441 0.00828 0.39 0.438 0.00831 0.5 0.633 0.9931 3035664 ChemDiv3_012637 CCc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)c3ccc(cc3)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O10 compound treatment 0.461 0.0283 1.35 0.47 0.0403 2.43 2.6696 0.9615 3035665 ChemDiv3_012638 O=C(NCc1ccccc1)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O11 compound treatment 0.486 0.0533 2.54 0.494 0.0643 3.87 4.5341 0.9791 3035668 ChemDiv3_012639 O=C(Nc1ccc2OCOc2c1)c3cncc(NS(=O)(=O)c4ccccc4)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O12 compound treatment 0.441 0.00828 0.39 0.444 0.0143 0.86 0.8885 0.9374 3122474 ChemDiv3_012640 Cc1ncc(CO)c2cc(C(=O)NC3=CC4OCOC4C=C3)/c(=N/c5ccccc5)/oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O13 compound treatment 0.435 0.00228 0.11 0.453 0.0233 1.4 1.0694 0.7596 3035669 ChemDiv3_012641 COc1cccc(C(=O)NCCc2csc3nc(nn23)c4ccc(C)cc4)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O14 compound treatment 0.437 0.00428 0.2 0.446 0.0163 0.98 0.8388 0.8362 3122475 ChemDiv3_012642 Brc1ccc2oc(=O)c(cc2c1)c3csc(NC(=O)CCC(=O)N4CCCC4)n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O15 compound treatment 0.475 0.0423 2.02 0.468 0.0383 2.31 3.0563 0.9977 3035672 ChemDiv3_012643 Cc1cc(c(C)s1)c2cn(/N=C/c3ccc(Cl)cc3Cl)c(N)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O16 compound treatment 0.462 0.0293 1.4 0.475 0.0453 2.73 2.9162 0.9516 3122476 ChemDiv3_012644 Nc1c(nnn1c2cccc(c2)C(F)(F)F)C(=O)NCCC3=CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O17 compound treatment 0.437 0.00428 0.2 0.434 0.00431 0.26 0.3279 0.9929 3035674 ChemDiv3_012645 COc1cccc(/C=N/c2cccc(C(=O)O)c2C)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O18 compound treatment 0.527 0.0943 4.49 0.545 0.115 6.94 8.0874 0.9778 1347140 ChemDiv3_012646 COc1ccc(cc1)n2cc(nc2SCC(=O)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O19 compound treatment 0.425 -0.00772 -0.37 0.424 -0.00569 -0.34 -0.5023 -0.9994 3035676 ChemDiv3_012647 CN(/N=C/c1ccc(cc1)C(C)(C)C)C2=NCCN2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O20 compound treatment 0.443 0.0103 0.49 0.436 0.00631 0.38 0.6153 0.9921 3122477 ChemDiv3_012648 O=C(N1CCCCC1)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O21 compound treatment 0.451 0.0183 0.87 0.447 0.0173 1.04 1.3533 0.996 3035679 ChemDiv3_012649 CC(=O)Oc1cccc(/C=C/2\N=C(OC2=O)c3ccco3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O22 compound treatment 0.446 0.0133 0.63 0.444 0.0143 0.86 1.057 0.9885 3122478 ChemDiv3_012650 CCN(Cc1ccccc1)C(=O)CSc2nc3ccccc3c4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O23 mock treatment 0.43 -0.00272 -0.13 0.423 -0.00669 -0.4 -0.3764 -0.8898 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 O24 mock treatment 0.448 0.0153 0.73 0.436 0.00631 0.38 0.7838 0.954 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P01 compound treatment 0.473 0.0403 1.92 0.436 0.00631 0.38 1.6265 0.8309 3035682 ChemDiv3_012651 Cc1ccc2oc(=O)c(cc2c1)c3nc4ccccc4s3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P02 compound treatment 0.485 0.0523 2.49 0.491 0.0613 3.69 4.3726 0.9817 3122479 ChemDiv3_012652 Cc1n[nH]c(C)c1CCc2nc3c4ccccc4nc(SCc5ccc(C)cc5)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P03 compound treatment 0.444 0.0113 0.54 0.453 0.0233 1.4 1.3728 0.9133 3122670 ChemDiv3_012653 CC(CC(=O)NCc1ccccc1)CC2=Nc3ccccc3S(=O)(=O)N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P04 compound treatment 0.511 0.0783 3.73 0.499 0.0693 4.17 5.5896 0.9984 1381410 ChemDiv3_012654 O=C(CSc1nc2ccccc2c(=O)n1CCc3ccccc3)NCc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P05 compound treatment 0.456 0.0233 1.11 0.457 0.0273 1.64 1.9476 0.9817 3035739 ChemDiv3_012655 O=S1(=O)NC(CC#N)Nc2ccccc21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P06 compound treatment 0.446 0.0133 0.63 0.435 0.00531 0.32 0.6739 0.95 1142918 ChemDiv3_012656 CCOC(=O)CSc1nc2ccccc2c(=O)n1CCN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P07 compound treatment 0.462 0.0293 1.4 0.466 0.0363 2.19 2.533 0.9765 3035742 ChemDiv3_012657 CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P08 compound treatment 0.456 0.0233 1.11 0.453 0.0233 1.4 1.7773 0.9932 1618070 ChemDiv3_012658 O=C(NCc1ccccc1)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P09 compound treatment 0.454 0.0213 1.01 0.437 0.00731 0.44 1.0287 0.9302 3035744 ChemDiv3_012659 CCC(Sc1nc2c3ccccc3sc2c(=O)n1CCc4ccccc4)C(=O)N5CCOCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P10 compound treatment 0.437 0.00428 0.2 0.432 0.00231 0.14 0.2428 0.9826 1164910 ChemDiv3_012660 CC(=O)NCCn1c(SCc2ccccc2C)nc3ccccc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P11 compound treatment 0.45 0.0173 0.82 0.446 0.0163 0.98 1.277 0.9962 3035746 ChemDiv3_012661 CCOC(CCn1c(SC)nc2c3ccccc3sc2c1=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P12 compound treatment 0.431 -0.00172 -0.08 0.432 0.00231 0.14 0.0405 0.2508 1398709 ChemDiv3_012662 CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN4CCC(C)CC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P13 compound treatment 0.554 0.121 5.78 0.547 0.117 7.06 9.0827 0.9951 3122671 ChemDiv3_012663 Cc1ccc(cc1)N2C(=S)NC3C(C(=O)Nc4ccc(C)cc4C)C2(C)Oc5ccc(Cl)cc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P14 compound treatment 0.463 0.0303 1.44 0.443 0.0133 0.8 1.5875 0.9615 3035748 ChemDiv3_012664 FC(F)(F)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC4CCCO4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P15 compound treatment 0.534 0.101 4.83 0.536 0.106 6.4 7.9402 0.9903 3122672 ChemDiv3_012665 CN1C(=O)C(C2CC1(C)Oc3ccc(Br)cc23)c4nnc(Nc5ccc(C)cc5)s4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P16 compound treatment 0.474 0.0413 1.97 0.478 0.0483 2.91 3.4484 0.9819 1567339 ChemDiv3_012666 CC(C)NC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P17 compound treatment 0.467 0.0343 1.63 0.455 0.0253 1.52 2.2332 0.9994 3122673 ChemDiv3_012667 Cc1ccc(CNC(=O)CSC2=Nc3ccccc3C4=NC(Cc5ccccc5)C(=O)N42)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P18 compound treatment 0.437 0.00428 0.2 0.443 0.0133 0.8 0.7111 0.8597 1672792 ChemDiv3_012668 CCOC(=O)N1CCC(CC1)n2c(SCC(=O)c3ccccc3)nc4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P19 compound treatment 0.42 -0.0127 -0.61 0.42 -0.00969 -0.58 -0.8412 -0.9998 3122674 ChemDiv3_012669 CC1N=C2N(C1=O)C(=Nc3ccccc23)SCC(=O)c4ccc(O)c(O)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P20 compound treatment 0.444 0.0113 0.54 0.441 0.0113 0.68 0.8619 0.9932 3122675 ChemDiv3_012670 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc4ccco4)C(=O)NCc5ccc(C)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P21 compound treatment 0.472 0.0393 1.87 0.473 0.0433 2.61 3.1681 0.9868 3035754 ChemDiv3_012671 O=C(CSC1=Nc2ccccc2C3=NC(CC(=O)NCc4ccco4)C(=O)N31)NCc5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P22 compound treatment 0.533 0.1 4.78 0.524 0.0943 5.68 7.3956 0.9963 3122676 ChemDiv3_012672 O=C(NCCC1=CCCCC1)c2ccc(Cn3c(=O)c4cc5OCOc5cc4[nH]c3=S)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P23 mock treatment 0.437 0.00428 0.2 0.423 -0.00669 -0.4 -0.1404 -0.311 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2036 P24 mock treatment 0.434 0.00128 0.06 0.414 -0.0157 -0.94 -0.6247 -0.66 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A01 compound treatment 0.444 0.00856 0.41 0.464 0.0327 1.97 1.6816 0.8359 3122677 ChemDiv3_012673 CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1Cc3ccco3)C(=O)Nc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A02 compound treatment 0.44 0.00456 0.22 0.436 0.00472 0.28 0.3547 0.9913 3035757 ChemDiv3_012674 Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2C4CC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A03 compound treatment 0.458 0.0226 1.08 0.442 0.0107 0.65 1.2169 0.9701 3122678 ChemDiv3_012675 CCCCn1c(SCC(=O)NCc2ccc(C)cc2)nc3ccc(cc3c1=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A04 compound treatment 0.448 0.0126 0.6 0.453 0.0217 1.31 1.3481 0.9373 3035813 ChemDiv3_012676 CCC(Sc1nc2ccsc2c(=O)n1Cc3ccccn3)C(=O)Nc4cccc(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A05 compound treatment 0.528 0.0926 4.41 0.537 0.106 6.37 7.621 0.984 3035815 ChemDiv3_012677 CC(C)CCNC(=O)Cc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A06 compound treatment 0.422 -0.0134 -0.64 0.42 -0.0113 -0.68 -0.9332 -0.9996 3035817 ChemDiv3_012678 Fc1ccc(cc1)C(=O)CSc2nc(NCc3ccccc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A07 compound treatment 0.443 0.00756 0.36 0.429 -0.00228 -0.14 0.1578 0.409 3035819 ChemDiv3_012679 CCOC(=O)c1sc2nc(SCC(=O)C(C)(C)C)n(N)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A08 compound treatment 0.518 0.0826 3.94 0.524 0.0927 5.58 6.7305 0.9854 1269831 ChemDiv3_012680 CCC(Sc1nc(Nc2ccc(F)cc2)c3ccccc3n1)C(=O)Nc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A09 compound treatment 0.517 0.0816 3.89 0.548 0.117 7.03 7.7185 0.961 3035821 ChemDiv3_012681 CSc1nc2n(c3ccccc3C)c(=S)sc2c(=O)n1c4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A10 compound treatment 0.429 -0.00644 -0.31 0.441 0.00972 0.59 0.1968 0.2978 3122679 ChemDiv3_012682 CN(C)C(=O)c1sc2n(Cc3ccc(F)cc3Cl)c(=O)n(c4ccc(C)c(C)c4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A11 compound treatment 0.439 0.00356 0.17 0.432 7.19E-4 0.04 0.1507 0.8598 1167350 ChemDiv3_012683 COC(Cn1c(=O)c2ccccc2[nH]c1=S)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A12 compound treatment 0.444 0.00856 0.41 0.446 0.0147 0.89 0.9153 0.9381 3122680 ChemDiv3_012684 NS(=O)(=O)c1ccc(CCNC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A13 compound treatment 0.452 0.0166 0.79 0.447 0.0157 0.95 1.2275 0.9959 1294652 ChemDiv3_012685 O=C(N1CCCC1)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A14 compound treatment 0.431 -0.00444 -0.21 0.429 -0.00228 -0.14 -0.2467 -0.9781 1234241 ChemDiv3_012686 Cc1cccc(c1)n2ncc3c(NCCc4ccccc4)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A15 compound treatment 0.477 0.0416 1.98 0.48 0.0487 2.93 3.4752 0.9817 1495011 ChemDiv3_012687 CCOC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)n3c(=O)c4ccccc4[nH]c3=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A16 compound treatment 0.424 -0.0114 -0.55 0.441 0.00972 0.59 0.0282 0.0353 1651200 ChemDiv3_012688 CN(C1CCCCC1)c2ncnc3n(ncc23)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A17 compound treatment 0.434 -0.00144 -0.07 0.445 0.0137 0.83 0.5356 0.6462 1429389 ChemDiv3_012689 Cc1ccc(CSc2nc3ccccc3c(=O)n2c4ccc(cc4)C(=O)N5CCOCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A18 compound treatment 0.449 0.0136 0.65 0.448 0.0167 1.01 1.169 0.9771 1418179 ChemDiv3_012690 COc1ccc(cc1)n2cc(c3ccccc3)c4c(NCc5ccccc5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A19 compound treatment 0.462 0.0266 1.27 0.453 0.0217 1.31 1.82 0.9999 1360971 ChemDiv3_012691 CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1Cc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A20 compound treatment 0.44 0.00456 0.22 0.427 -0.00428 -0.26 -0.0285 -0.0844 1414522 ChemDiv3_012692 Fc1ccc(cc1)n2cc(c3ccccc3)c4c(NCc5ccccc5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A21 compound treatment 0.493 0.0576 2.74 0.485 0.0537 3.23 4.2274 0.9967 3035828 ChemDiv3_012693 CCC(C)n1c(SCc2ccccc2Cl)nc3ccsc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A22 compound treatment 0.44 0.00456 0.22 0.43 -0.00128 -0.08 0.0992 0.43 1176036 ChemDiv3_012694 Cc1ccc(cc1)n2cc(c3ccccc3)c4c(ncnc24)N5CCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A23 mock treatment 0.427 -0.00844 -0.4 0.425 -0.00628 -0.38 -0.5518 -0.9995 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 A24 mock treatment 0.411 -0.0244 -1.16 0.418 -0.0133 -0.8 -1.3892 -0.9832 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B01 compound treatment 0.525 0.0896 4.27 0.507 0.0757 4.56 6.2426 0.9995 1651169 ChemDiv3_012695 COc1cc2CCN(C(COc3ccc(F)cc3)c2cc1OC)C(=O)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B02 compound treatment 0.44 0.00456 0.22 0.453 0.0217 1.31 1.0785 0.8135 1020986 ChemDiv3_012696 O=C1NCCN1Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B03 compound treatment 0.453 0.0176 0.84 0.455 0.0237 1.43 1.6018 0.9676 3035999 ChemDiv3_012697 FC(F)(F)c1ccc(CSC2=NN3CCCC(=O)N=C3S2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B04 compound treatment 0.454 0.0186 0.88 0.444 0.0127 0.77 1.1672 0.9974 3036001 ChemDiv3_012698 Fc1ccc(CN2CCCNC2=O)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B05 compound treatment 0.534 0.0986 4.7 0.537 0.106 6.37 7.8233 0.9888 1222985 ChemDiv3_012699 Cc1cccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c4ccccc24)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B06 compound treatment 0.439 0.00356 0.17 0.433 0.00172 0.1 0.1933 0.9718 3036003 ChemDiv3_012700 COC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B07 compound treatment 0.454 0.0186 0.88 0.446 0.0147 0.89 1.2523 1.0 1413005 ChemDiv3_012701 Clc1ccccc1Cn2cc(SCC(=O)N3CCCC3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B08 compound treatment 0.449 0.0136 0.65 0.45 0.0187 1.13 1.2541 0.9652 3122681 ChemDiv3_012702 COC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(C)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B09 compound treatment 0.551 0.116 5.51 0.557 0.126 7.57 9.2478 0.9878 3036006 ChemDiv3_012703 COc1ccc(/C=C/C(=O)Nc2ccc(cc2)n3nncc3c4ccc(OC)c(OC)c4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B10 compound treatment 0.487 0.0516 2.46 0.491 0.0597 3.6 4.2806 0.9828 3122682 ChemDiv3_012704 COC(=O)c1ccc2Sc3ccccc3C(=O)N(Cc4ccccc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B11 compound treatment 0.481 0.0456 2.17 0.49 0.0587 3.54 4.0357 0.9726 3122683 ChemDiv3_012705 FC(F)(F)c1ccc(NC(=S)N2CCn3cccc3C2c4cccs4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B12 compound treatment 0.443 0.00756 0.36 0.441 0.00972 0.59 0.6687 0.9729 3036008 ChemDiv3_012706 COC(=O)c1onc(C(=O)c2ccccc2)c1C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B13 compound treatment 0.535 0.0996 4.75 0.535 0.104 6.24 7.7718 0.9908 1253507 ChemDiv3_012707 Fc1ccc(cc1)c2cc(C(=O)Nc3cc(F)ccc3F)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B14 compound treatment 0.447 0.0116 0.55 0.435 0.00372 0.22 0.5481 0.9212 3036010 ChemDiv3_012708 CCOC(=O)c1n[nH]c2CCCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B15 compound treatment 0.435 -4.37E-4 -0.02 0.437 0.00572 0.34 0.2287 0.6631 1451277 ChemDiv3_012709 COc1ccc(CN2C(=O)C3C4CC(C=C4)C3C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B16 compound treatment 0.443 0.00756 0.36 0.445 0.0137 0.83 0.839 0.9309 3122684 ChemDiv3_012710 CCN1CCN(CC1)C(=O)/C=C\C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B17 compound treatment 0.527 0.0916 4.36 0.518 0.0867 5.22 6.7784 0.996 3122685 ChemDiv3_012711 COc1ccc(cc1)S(=O)(=O)n2c(SCc3ccc(cc3)C(F)(F)F)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B18 compound treatment 0.376 -0.0594 -2.83 0.37 -0.0613 -3.69 -4.6125 -0.9915 1214948 ChemDiv3_012712 CCC(Cc1ccccc1)NC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)N4CCC(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B19 compound treatment 0.459 0.0236 1.12 0.45 0.0187 1.13 1.5912 1.0 3036073 ChemDiv3_012713 Cc1cc(=O)oc2c3C(=O)/C(=C\C=C\c4ccccc4)/Oc3ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B20 compound treatment 0.496 0.0606 2.89 0.497 0.0657 3.96 4.8394 0.988 1737086 ChemDiv3_012714 CCOc1ccc(cc1)n2c(C)nc3cc(ccc23)C(=O)NCc4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B21 compound treatment 0.484 0.0486 2.31 0.483 0.0517 3.11 3.8388 0.9893 1343786 ChemDiv3_012715 Cc1ccc(cc1)c2nc(NCCC3=CCCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B22 compound treatment 0.445 0.00956 0.46 0.444 0.0127 0.77 0.8638 0.9693 1185282 ChemDiv3_012716 CC1CCCCN1S(=O)(=O)c2ccc(F)c(c2)C(=O)Nc3c(F)cc(F)cc3Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B23 mock treatment 0.442 0.00656 0.31 0.443 0.0117 0.71 0.7201 0.933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 B24 mock treatment 0.44 0.00456 0.22 0.437 0.00572 0.34 0.3973 0.9755 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C01 compound treatment 0.452 0.0166 0.79 0.444 0.0127 0.77 1.0998 0.9999 3036076 ChemDiv3_012717 NC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1CCCC(=O)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C02 compound treatment 0.434 -0.00144 -0.07 0.428 -0.00328 -0.2 -0.1882 -0.8998 3122686 ChemDiv3_012718 CCOC(=O)N1CCC(CC1)n2c(SCc3ccc(F)cc3Cl)nc4ccsc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C03 compound treatment 0.453 0.0176 0.84 0.465 0.0337 2.03 2.0276 0.9233 3122687 ChemDiv3_012719 CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc3ccc(cc3c1=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C04 compound treatment 0.517 0.0816 3.89 0.526 0.0947 5.7 6.7819 0.9826 3036077 ChemDiv3_012720 CCC(Sc1nc2ccsc2c(=O)n1NC(=O)c3ccccc3)C(=O)Nc4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C05 compound treatment 0.425 -0.0104 -0.5 0.417 -0.0143 -0.86 -0.9598 -0.9662 3122876 ChemDiv3_012721 O=C(NCCN1CCOCC1)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C06 compound treatment 0.423 -0.0124 -0.59 0.416 -0.0153 -0.92 -1.0698 -0.9774 1324896 ChemDiv3_012722 CN(Cc1ccccc1)C(=O)CSc2nc(NCc3ccc(Cl)cc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C07 compound treatment 0.438 0.00256 0.12 0.441 0.00972 0.59 0.5001 0.8367 3122877 ChemDiv3_012723 CCOC(=O)c1sc2nc(SCC(=O)c3ccc(Br)cc3)n(N)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C08 compound treatment 0.522 0.0866 4.13 0.527 0.0957 5.76 6.993 0.9866 3122878 ChemDiv3_012724 Clc1ccc(cc1)C(=O)CSc2nc(Nc3ccc4OCOc4c3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C09 compound treatment 0.454 0.0186 0.88 0.459 0.0277 1.67 1.8058 0.956 3036078 ChemDiv3_012725 O=C(NCCc1ccccc1)c2sc(=S)n3c2[nH]c(=O)c4ccccc43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C10 compound treatment 0.425 -0.0104 -0.5 0.428 -0.00328 -0.2 -0.4915 -0.9181 3122879 ChemDiv3_012726 CN(C)C(=O)c1sc2n(CC(=O)N)c(=O)n(c3ccccc3C(F)(F)F)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C11 compound treatment 0.463 0.0276 1.31 0.468 0.0367 2.21 2.4924 0.9691 1410927 ChemDiv3_012727 COC(=O)c1ccc2c(=O)n(C3CCCCC3C)c(=S)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C12 compound treatment 0.432 -0.00344 -0.16 0.425 -0.00628 -0.38 -0.3833 -0.9299 3122880 ChemDiv3_012728 Clc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4nc5ccccc5c(=O)n4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C13 compound treatment 0.447 0.0116 0.55 0.442 0.0107 0.65 0.8461 0.9969 1565253 ChemDiv3_012729 CC1CC(C)CN(C1)C(=O)c2ccc(cc2)n3c(=O)c4ccccc4[nH]c3=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C14 compound treatment 0.524 0.0886 4.22 0.532 0.101 6.06 7.2733 0.9843 1492002 ChemDiv3_012730 CCCCc1ccc(Nc2ncnc3n(ncc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C15 compound treatment 0.416 -0.0194 -0.93 0.414 -0.0173 -1.04 -1.3909 -0.9983 3122881 ChemDiv3_012731 COc1ccccc1Cn2c(=O)c3ccc(cc3[nH]c2=S)C(=O)NCCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C16 compound treatment 0.497 0.0616 2.93 0.497 0.0657 3.96 4.8731 0.9892 1682096 ChemDiv3_012732 CN(Cc1ccccc1)c2ncnc3n(ncc23)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C17 compound treatment 0.433 -0.00244 -0.12 0.431 -2.81E-4 -0.02 -0.0941 -0.8017 1728184 ChemDiv3_012733 COCCn1c(SCC(=O)NCc2ccccc2Cl)nc3cc(ccc3c1=O)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C18 compound treatment 0.5 0.0646 3.08 0.497 0.0657 3.96 4.9742 0.9923 1591478 ChemDiv3_012734 COc1ccc(cc1)n2cc(c3ccccc3)c4c(Nc5ccccc5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C19 compound treatment 0.449 0.0136 0.65 0.452 0.0207 1.25 1.3393 0.9532 1682510 ChemDiv3_012735 CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1Cc3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C20 compound treatment 0.464 0.0286 1.36 0.451 0.0197 1.19 1.8023 0.9977 1601331 ChemDiv3_012736 COC(CNc1ncnc2n(cc(c3ccccc3)c12)c4ccc(C)cc4)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C21 compound treatment 0.427 -0.00844 -0.4 0.428 -0.00328 -0.2 -0.4241 -0.9464 3036081 ChemDiv3_012737 COC(=O)c1ccccc1NC(=O)CSc2nc3ccsc3c(=O)n2c4ccc(C)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C22 compound treatment 0.423 -0.0124 -0.59 0.417 -0.0143 -0.86 -1.0273 -0.9835 1414331 ChemDiv3_012738 COc1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C23 mock treatment 0.416 -0.0194 -0.93 0.416 -0.0153 -0.92 -1.3058 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 C24 mock treatment 0.425 -0.0104 -0.5 0.421 -0.0103 -0.62 -0.7895 -0.9941 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D01 compound treatment 0.439 0.00356 0.17 0.441 0.00972 0.59 0.5339 0.8762 1202420 ChemDiv3_012739 COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3C)sc4CN(C)CCc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D02 compound treatment 0.45 0.0146 0.69 0.449 0.0177 1.07 1.2452 0.9783 3036082 ChemDiv3_012740 CC1CCCC(C1C)n2cnc3cc(ccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D03 compound treatment 0.445 0.00956 0.46 0.45 0.0187 1.13 1.1193 0.9206 3036083 ChemDiv3_012741 CC(SC1=NN2CCCC(=O)N=C2S1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D04 compound treatment 0.431 -0.00444 -0.21 0.439 0.00772 0.46 0.179 0.3506 3122882 ChemDiv3_012742 Cc1oc(c2cccc(C)c2)[n+]([O-])c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D05 compound treatment 0.511 0.0756 3.6 0.538 0.107 6.43 7.0906 0.9626 1431815 ChemDiv3_012743 Cc1ccccc1Cn2cc(SCC(=O)N3CCCc4ccccc34)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D06 compound treatment 0.438 0.00256 0.12 0.438 0.00672 0.4 0.3724 0.8813 3036085 ChemDiv3_012744 COC(=O)c1ccc(CSc2ccccc2C)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D07 compound treatment 0.446 0.0106 0.5 0.446 0.0147 0.89 0.9827 0.9641 3036087 ChemDiv3_012745 Brc1ccc(CSc2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D08 compound treatment 0.427 -0.00844 -0.4 0.423 -0.00828 -0.5 -0.637 -0.9943 3122883 ChemDiv3_012746 CCn1cc(C(=O)O)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D09 compound treatment 0.48 0.0446 2.12 0.473 0.0417 2.51 3.2783 0.9965 3122884 ChemDiv3_012747 COc1ccc(cc1OC)c2cnnn2c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D10 compound treatment 0.489 0.0536 2.55 0.491 0.0597 3.6 4.348 0.9859 3036088 ChemDiv3_012748 CCOC(=O)Cn1c2CCCCc2c(cc1=O)c3ccccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D11 compound treatment 0.465 0.0296 1.41 0.47 0.0387 2.33 2.6449 0.9709 1507388 ChemDiv3_012749 CCNC(=S)N1CCn2cccc2C1c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D12 compound treatment 0.436 5.63E-4 0.03 0.444 0.0127 0.77 0.5605 0.7314 3036089 ChemDiv3_012750 Clc1ccc(CC2=NCCN2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D13 compound treatment 0.513 0.0776 3.7 0.5 0.0687 4.14 5.5401 0.9984 1386056 ChemDiv3_012751 Fc1ccc(cc1)c2cc(C(=O)NCc3ccc(Cl)cc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D14 compound treatment 0.43 -0.00544 -0.26 0.436 0.00472 0.28 0.0176 0.0458 3036091 ChemDiv3_012752 CC1=C(SCCO1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D15 compound treatment 0.437 0.00156 0.07 0.444 0.0127 0.77 0.5942 0.7722 1693359 ChemDiv3_012753 Cc1ccc2sc(nc2c1)c3ccc(cc3)N4C(=O)C5CC=CCC5C4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D16 compound treatment 0.435 -4.37E-4 -0.02 0.448 0.0167 1.01 0.697 0.6923 1432228 ChemDiv3_012754 CCOC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2F)S(=O)(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D17 compound treatment 0.44 0.00456 0.22 0.446 0.0147 0.89 0.7804 0.8553 1162689 ChemDiv3_012755 Cc1cc(C)c(c(C)c1)S(=O)(=O)n2c(SCC(=O)NC3CCCCC3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D18 compound treatment 0.423 -0.0124 -0.59 0.421 -0.0103 -0.62 -0.857 -0.9998 1527862 ChemDiv3_012756 CN(C1CCCCC1)C(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D19 compound treatment 0.436 5.63E-4 0.03 0.432 7.19E-4 0.04 0.0496 0.9735 1391891 ChemDiv3_012757 CCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c3ccc(C)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D20 compound treatment 0.491 0.0556 2.65 0.466 0.0347 2.09 3.351 0.9931 1486561 ChemDiv3_012758 CCc1ccc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)NCC3COc4ccccc4O3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D21 compound treatment 0.477 0.0416 1.98 0.478 0.0467 2.81 3.39 0.9853 3036551 ChemDiv3_012759 COc1ccc(Cl)cc1NC=C2C(=O)OC3(CCCCC3)OC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D22 compound treatment 0.459 0.0236 1.12 0.45 0.0187 1.13 1.5912 1.0 1541065 ChemDiv3_012760 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(F)c(c2)C(=O)Nc3cccc(F)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D23 mock treatment 0.434 -0.00144 -0.07 0.436 0.00472 0.28 0.1524 0.5216 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 D24 mock treatment 0.433 -0.00244 -0.12 0.434 0.00272 0.16 0.0336 0.1673 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E01 compound treatment 0.437 0.00156 0.07 0.436 0.00472 0.28 0.2536 0.8633 3036552 ChemDiv3_012761 CCN(CC)C(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E02 compound treatment 0.441 0.00556 0.27 0.444 0.0127 0.77 0.729 0.8995 3122885 ChemDiv3_012762 Brc1ccc2nc(CSc3nc4ccsc4c(=O)n3C5CC5)cc(=O)n2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E03 compound treatment 0.513 0.0776 3.7 0.524 0.0927 5.58 6.5619 0.98 3122886 ChemDiv3_012763 CS(=O)(=O)N(Cc1cccc(F)c1)n2c(SCc3cccc(F)c3)nc4ccccc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E04 compound treatment 0.441 0.00556 0.27 0.439 0.00772 0.46 0.5161 0.9646 3036554 ChemDiv3_012764 O=c1n(CC2CCCO2)c(=S)[nH]c3ccsc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E05 compound treatment 0.437 0.00156 0.07 0.449 0.0177 1.07 0.807 0.7546 3122887 ChemDiv3_012765 CCOc1cc2[nH]c(=S)n(CCCCC(=O)NC3CCCCC3)c(=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E06 compound treatment 0.442 0.00656 0.31 0.439 0.00772 0.46 0.5498 0.9814 3036555 ChemDiv3_012766 Cc1ccc(CNC(=O)CSc2nc(NCCc3ccccc3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E07 compound treatment 0.5 0.0646 3.08 0.496 0.0647 3.9 4.9316 0.9932 3123079 ChemDiv3_012767 COC(=O)c1sc2nc(SCc3ccccc3C)n(N)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E08 compound treatment 0.506 0.0706 3.36 0.494 0.0627 3.78 5.0487 0.9983 3036557 ChemDiv3_012768 CCCCC(CC)CNc1nc(=S)[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E09 compound treatment 0.548 0.113 5.37 0.547 0.116 6.97 8.7209 0.9917 3123080 ChemDiv3_012769 O=c1n(c(SCc2ccccc2)nc3n(Cc4ccco4)c(=S)sc13)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E10 compound treatment 0.447 0.0116 0.55 0.444 0.0127 0.77 0.9312 0.987 3123081 ChemDiv3_012770 CN(C)C(=O)c1sc2n(Cc3ccccc3C#N)c(=O)n(Cc4ccccc4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E11 compound treatment 0.473 0.0376 1.79 0.497 0.0657 3.96 4.0641 0.9357 1677408 ChemDiv3_012771 COc1ccc(CCn2c(=O)c3cc(Cl)ccc3[nH]c2=S)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E12 compound treatment 0.474 0.0386 1.84 0.47 0.0387 2.33 2.9483 0.9931 3123082 ChemDiv3_012772 Clc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCNc4ccc5ccccc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E13 compound treatment 0.508 0.0726 3.46 0.496 0.0647 3.9 5.2013 0.9982 1705315 ChemDiv3_012773 Clc1ccc2c(=O)n(c3cccc(c3)C(=O)NC4CCCCC4)c(=S)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E14 compound treatment 0.437 0.00156 0.07 0.436 0.00472 0.28 0.2536 0.8633 1430393 ChemDiv3_012774 COc1ccccc1Nc2ncnc3n(ncc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E15 compound treatment 0.451 0.0156 0.74 0.443 0.0117 0.71 1.0235 0.9997 1680168 ChemDiv3_012775 COc1ccccc1Cn2c(=O)c3ccc(cc3[nH]c2=S)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E16 compound treatment 0.495 0.0596 2.84 0.497 0.0657 3.96 4.8057 0.9867 1483876 ChemDiv3_012776 CCN(c1cccc(C)c1)c2ncnc3n(ncc23)c4ccc(C)cc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E17 compound treatment 0.484 0.0486 2.31 0.486 0.0547 3.29 3.9666 0.9851 1388160 ChemDiv3_012777 Fc1cccc(CSc2nc3cc(ccc3c(=O)n2C4CCCCC4)C(=O)NCc5ccco5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E18 compound treatment 0.521 0.0856 4.08 0.51 0.0787 4.74 6.2355 0.9972 1206158 ChemDiv3_012778 Cc1cccc(c1)n2cc(c3ccccc3)c4c(NCC=C)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E19 compound treatment 0.503 0.0676 3.22 0.49 0.0587 3.54 4.7773 0.9989 3123083 ChemDiv3_012779 CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E20 compound treatment 0.54 0.105 4.98 0.535 0.104 6.24 7.9404 0.9938 1306755 ChemDiv3_012780 Cc1ccc(cc1)n2cc(c3ccccc3)c4c(NCc5ccccc5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E21 compound treatment 0.555 0.12 5.7 0.54 0.109 6.55 8.6588 0.9976 3123084 ChemDiv3_012781 O=c1n(CCc2ccccc2)c(SCc3ccccc3)nc4ccsc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E22 compound treatment 0.437 0.00156 0.07 0.431 -2.81E-4 -0.02 0.0407 0.5328 1136867 ChemDiv3_012782 CCCC(=O)N1CCc2cc(OC)c(OC)cc2C1COc3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E23 mock treatment 0.426 -0.00944 -0.45 0.426 -0.00528 -0.32 -0.543 -0.9856 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 E24 mock treatment 0.435 -4.37E-4 -0.02 0.435 0.00372 0.22 0.1436 0.6385 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F01 compound treatment 0.454 0.0186 0.88 0.457 0.0257 1.55 1.7207 0.9648 1467206 ChemDiv3_012783 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)CCC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F02 compound treatment 0.444 0.00856 0.41 0.443 0.0117 0.71 0.7875 0.9661 3123085 ChemDiv3_012784 OC(=O)CN1CCN(Cc2ccccc2)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F03 compound treatment 0.45 0.0146 0.69 0.454 0.0227 1.37 1.4581 0.9506 3036635 ChemDiv3_012785 O=C(CSC1=NN2CCCC(=O)N=C2S1)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F04 compound treatment 0.438 0.00256 0.12 0.45 0.0187 1.13 0.8833 0.7792 3123086 ChemDiv3_012786 CC1N=C(c2ccccc2)c3cc(Br)ccc3NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F05 compound treatment 0.543 0.108 5.13 0.546 0.115 6.91 8.5098 0.9892 1231418 ChemDiv3_012787 COc1ccc(NC(=O)CSc2cn(Cc3ccc(Cl)cc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F06 compound treatment 0.471 0.0356 1.7 0.487 0.0557 3.35 3.5709 0.95 3036638 ChemDiv3_012788 OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F07 compound treatment 0.438 0.00256 0.12 0.433 0.00172 0.1 0.1596 0.9966 3036639 ChemDiv3_012789 FC(F)(F)c1ccc(CSc2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F08 compound treatment 0.445 0.00956 0.46 0.438 0.00672 0.4 0.6084 0.9982 3123087 ChemDiv3_012790 CCn1cc(C(=O)O)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F09 compound treatment 0.503 0.0676 3.22 0.501 0.0697 4.2 5.2456 0.9914 1130174 ChemDiv3_012791 Fc1ccc(cc1)C2N(CCn3cccc23)C(=S)Nc4cccc(F)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F10 compound treatment 0.468 0.0326 1.55 0.463 0.0317 1.91 2.448 0.9947 3123088 ChemDiv3_012792 COc1ccccc1c2cc(=O)n(CC(=O)O)c3CCCCc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F11 compound treatment 0.561 0.126 5.99 0.559 0.128 7.69 9.67 0.9923 3123089 ChemDiv3_012793 FC(F)(F)c1cccc(NC(=S)N2CCn3cccc3C2c4cccnc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F12 compound treatment 0.45 0.0146 0.69 0.451 0.0197 1.19 1.3304 0.9673 3035533 ChemDiv3_012794 OC(=O)c1ccc(CNCc2ccccc2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F13 compound treatment 0.466 0.0306 1.46 0.458 0.0267 1.61 2.1677 0.9988 1425846 ChemDiv3_012795 COC(=O)CNC(=O)c1cc(nc2ccccc12)c3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F14 compound treatment 0.447 0.0116 0.55 0.447 0.0157 0.95 1.059 0.9669 3123090 ChemDiv3_012796 COc1ccc(CNC(=S)Nc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F15 compound treatment 0.45 0.0146 0.69 0.452 0.0207 1.25 1.373 0.9617 1222880 ChemDiv3_012797 O=C1C2CC=CCC2C(=O)N1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F16 compound treatment 0.452 0.0166 0.79 0.46 0.0287 1.73 1.781 0.9369 1624876 ChemDiv3_012798 Fc1ccc(cc1C(=O)N2CCC3(CC2)OCCO3)S(=O)(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F17 compound treatment 0.475 0.0396 1.89 0.474 0.0427 2.57 3.1523 0.9884 1405687 ChemDiv3_012799 Clc1ccc(cc1)S(=O)(=O)n2c(SCC(=O)NCCc3ccccc3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F18 compound treatment 0.465 0.0296 1.41 0.462 0.0307 1.85 2.3043 0.991 1237900 ChemDiv3_012800 Cc1ccccc1n2c(SCC(=O)c3ccc(Cl)cc3)nc4n[nH]cc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F19 compound treatment 0.453 0.0176 0.84 0.448 0.0167 1.01 1.3038 0.9958 1195849 ChemDiv3_012801 CCn1cc(C(=O)NC2CCCCCC2)c(=O)c3ccc(C)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F20 compound treatment 0.528 0.0926 4.41 0.501 0.0697 4.2 6.0883 0.9997 1567000 ChemDiv3_012802 Fc1ccc(CNS(=O)(=O)c2ccc(F)c(c2)C(=O)Nc3ccc(F)c(F)c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F21 compound treatment 0.444 0.00856 0.41 0.442 0.0107 0.65 0.745 0.9756 3035540 ChemDiv3_012803 FC(F)(F)c1cc(Cl)ccc1NC=C2C(=O)OC3(CCCCC3)OC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F22 compound treatment 0.435 -4.37E-4 -0.02 0.443 0.0117 0.71 0.4842 0.6859 1597221 ChemDiv3_012804 Fc1cccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCCc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F23 mock treatment 0.444 0.00856 0.41 0.436 0.00472 0.28 0.4895 0.9843 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 F24 mock treatment 0.435 -4.37E-4 -0.02 0.445 0.0137 0.83 0.5693 0.689 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G01 compound treatment 0.457 0.0216 1.03 0.445 0.0137 0.83 1.3109 0.9941 3123091 ChemDiv3_012805 Clc1ccc(cc1)N2CCN(CC2)C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G02 compound treatment 0.441 0.00556 0.27 0.443 0.0117 0.71 0.6864 0.9107 3035544 ChemDiv3_012806 O=C(CCn1c(=O)c2sccc2[nH]c1=S)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G03 compound treatment 0.432 -0.00344 -0.16 0.434 0.00272 0.16 -1.0E-4 -5.0E-4 3035548 ChemDiv3_012807 CCOc1cc2[nH]c(=S)n(CCCC(=O)O)c(=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G04 compound treatment 0.437 0.00156 0.07 0.437 0.00572 0.34 0.2961 0.8406 1616439 ChemDiv3_012808 COC(CNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G05 compound treatment 0.435 -4.37E-4 -0.02 0.437 0.00572 0.34 0.2287 0.6631 3123092 ChemDiv3_012809 CCOc1cc2[nH]c(=S)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G06 compound treatment 0.498 0.0626 2.98 0.515 0.0837 5.04 5.6731 0.9686 3035605 ChemDiv3_012810 Clc1ccccc1CCNc2nc(=S)[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G07 compound treatment 0.498 0.0626 2.98 0.5 0.0687 4.14 5.0345 0.9871 1266788 ChemDiv3_012811 CC(C)(C)C(=O)CSc1nc2n(CCc3ccccc3)c(=S)sc2c(=O)n1Cc4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G08 compound treatment 0.421 -0.0144 -0.69 0.408 -0.0233 -1.4 -1.4778 -0.9464 3035607 ChemDiv3_012812 COc1cc(Nc2nc(SCC(=O)c3ccc(O)c(O)c3)nc4ccccc24)cc(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G09 compound treatment 0.464 0.0286 1.36 0.458 0.0267 1.61 2.1003 0.9966 3123285 ChemDiv3_012813 COC(=O)c1sc(=S)n(c1N)c2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G10 compound treatment 0.44 0.00456 0.22 0.442 0.0107 0.65 0.6101 0.8959 3123286 ChemDiv3_012814 NC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G11 compound treatment 0.476 0.0406 1.93 0.465 0.0337 2.03 2.8028 0.9997 1224390 ChemDiv3_012815 CCCNC(=O)c1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G12 compound treatment 0.446 0.0106 0.5 0.45 0.0187 1.13 1.153 0.934 3123287 ChemDiv3_012816 COc1ccc(CCNC(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G13 compound treatment 0.473 0.0376 1.79 0.464 0.0327 1.97 2.6591 0.9989 1549323 ChemDiv3_012817 CC(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G14 compound treatment 0.437 0.00156 0.07 0.439 0.00772 0.46 0.3813 0.8101 1637286 ChemDiv3_012818 CCCN(CCC)c1ncnc2n(ncc12)c3ccc(OC)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G15 compound treatment 0.476 0.0406 1.93 0.465 0.0337 2.03 2.8028 0.9997 1223545 ChemDiv3_012819 COc1ccc(CCNC(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G16 compound treatment 0.428 -0.00744 -0.35 0.432 7.19E-4 0.04 -0.2201 -0.6162 3035613 ChemDiv3_012820 OC1(C[N+](=C2SCCCN21)c3ccccc3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G17 compound treatment 0.441 0.00556 0.27 0.437 0.00572 0.34 0.431 0.9917 1205107 ChemDiv3_012821 NC(=O)C1CCN(CC1)C(=O)c2ccc3c(=O)n(CC=C)c(SCc4ccc(Cl)cc4)nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G18 compound treatment 0.533 0.0976 4.65 0.521 0.0897 5.4 7.1084 0.9972 1343443 ChemDiv3_012822 CC(=O)Nc1ccc(Nc2ncnc3n(cc(c4ccccc4)c23)c5cccc(C)c5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G19 compound treatment 0.515 0.0796 3.79 0.5 0.0687 4.14 5.6075 0.9991 3123288 ChemDiv3_012823 Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc4ccccc4F)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G20 compound treatment 0.472 0.0366 1.74 0.469 0.0377 2.27 2.8383 0.9915 1495315 ChemDiv3_012824 CCOc1ccc(cc1)n2cc(c3ccccc3)c4c(NC(C)C)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G21 compound treatment 0.43 -0.00544 -0.26 0.431 -2.81E-4 -0.02 -0.1953 -0.7517 3123289 ChemDiv3_012825 Cc1ccc(NC(=O)CCCn2c(=O)c3sccc3[nH]c2=S)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G22 compound treatment 0.464 0.0286 1.36 0.458 0.0267 1.61 2.1003 0.9966 3035687 ChemDiv3_012826 COc1cc2CCN(C(COc3cccc(c3)C(F)(F)F)c2cc1OC)C(=O)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G23 mock treatment 0.427 -0.00844 -0.4 0.424 -0.00728 -0.44 -0.5944 -0.9991 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 G24 mock treatment 0.434 -0.00144 -0.07 0.43 -0.00128 -0.08 -0.103 -0.9983 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H01 compound treatment 0.525 0.0896 4.27 0.521 0.0897 5.4 6.8387 0.9932 3123290 ChemDiv3_012827 COc1ccc(/C=C\C(=O)Nc2c3CSCc3nn2c4cccc(Cl)c4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H02 compound treatment 0.432 -0.00344 -0.16 0.446 0.0147 0.89 0.5108 0.5668 3035690 ChemDiv3_012828 CCc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H03 compound treatment 0.445 0.00956 0.46 0.435 0.00372 0.22 0.4807 0.9464 3123291 ChemDiv3_012829 CCCN(CCC)CN1N2CCCC(=O)N=C2SC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H04 compound treatment 0.483 0.0476 2.27 0.492 0.0607 3.66 4.1883 0.9736 3123292 ChemDiv3_012830 O=C(N1CCc2ccccc2C1)c3ccc4Sc5ccccc5C(=O)Nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H05 compound treatment 0.471 0.0356 1.7 0.488 0.0567 3.42 3.6135 0.9478 1475413 ChemDiv3_012831 CCOC(=O)CSc1cn(Cc2ccc(Cl)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H06 compound treatment 0.451 0.0156 0.74 0.453 0.0217 1.31 1.4492 0.9639 3123293 ChemDiv3_012832 CC1=Nc2cc(ccc2Sc3ccc(Br)cc13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H07 compound treatment 0.444 0.00856 0.41 0.453 0.0217 1.31 1.2133 0.8857 3035696 ChemDiv3_012833 COc1cccc(c1)C(=O)Nc2ccc(cc2)n3nncc3C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H08 compound treatment 0.435 -4.37E-4 -0.02 0.437 0.00572 0.34 0.2287 0.6631 3123294 ChemDiv3_012834 Cc1oc(nc1CSCC(=O)O)c2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H09 compound treatment 0.533 0.0976 4.65 0.528 0.0967 5.82 7.4064 0.9938 1383351 ChemDiv3_012835 CCOc1ccc(NC(=S)N2CCn3cccc3C2c4ccc(OC)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H10 compound treatment 0.433 -0.00244 -0.12 0.433 0.00172 0.1 -0.009 -0.0578 3035760 ChemDiv3_012836 OC(=O)CCC(=O)N1CCOc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H11 compound treatment 0.428 -0.00744 -0.35 0.426 -0.00528 -0.32 -0.4755 -0.9985 1090057 ChemDiv3_012837 CCN1CSC(=S)N(Cc2ccccc2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H12 compound treatment 0.435 -4.37E-4 -0.02 0.442 0.0107 0.65 0.4416 0.6839 1517623 ChemDiv3_012838 N#Cc1c(sc2CCCCc12)n3cccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H13 compound treatment 0.477 0.0416 1.98 0.462 0.0307 1.85 2.7088 0.9994 1139449 ChemDiv3_012839 COc1ccc(cc1)c2cc(C(=O)Nc3cc(Cl)ccc3OC)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H14 compound treatment 0.471 0.0356 1.7 0.476 0.0447 2.69 3.1026 0.9751 1398409 ChemDiv3_012840 Clc1ccc(CCNC(=S)Nc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H15 compound treatment 0.433 -0.00244 -0.12 0.444 0.0127 0.77 0.4593 0.593 1322442 ChemDiv3_012841 CSc1ccccc1N2C(=O)C3CC=CCC3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H16 compound treatment 0.449 0.0136 0.65 0.449 0.0177 1.07 1.2115 0.9712 1293097 ChemDiv3_012842 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(F)c(c2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H17 compound treatment 0.451 0.0156 0.74 0.439 0.00772 0.46 0.8532 0.9746 1480085 ChemDiv3_012843 CN(C1CCCCC1)C(=O)c2cccc(c2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H18 compound treatment 0.422 -0.0134 -0.64 0.434 0.00272 0.16 -0.3372 -0.51 3035768 ChemDiv3_012844 OC(=O)/C=C/C(=O)NC1CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H19 compound treatment 0.437 0.00156 0.07 0.431 -2.81E-4 -0.02 0.0407 0.5328 1617005 ChemDiv3_012845 CCCCN(C)C(=O)c1cn(CC)c2nc(C)ccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H20 compound treatment 0.438 0.00256 0.12 0.43 -0.00128 -0.08 0.0318 0.2203 1584474 ChemDiv3_012846 Fc1cccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H21 compound treatment 0.438 0.00256 0.12 0.44 0.00872 0.52 0.4576 0.849 3035772 ChemDiv3_012847 O=C1OC2(CCCCC2)OC(=O)C1=CNc3nccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H22 compound treatment 0.493 0.0576 2.74 0.489 0.0577 3.48 4.3977 0.9932 1697267 ChemDiv3_012848 Fc1ccc(cc1C(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)N3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H23 mock treatment 0.432 -0.00344 -0.16 0.433 0.00172 0.1 -0.0427 -0.2203 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 H24 mock treatment 0.433 -0.00244 -0.12 0.425 -0.00628 -0.38 -0.3496 -0.8836 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I01 compound treatment 0.46 0.0246 1.17 0.452 0.0207 1.25 1.71 0.9995 3035832 ChemDiv3_012849 O=c1n(CCc2ccccc2)c(=S)[nH]c3ccc(cc13)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I02 compound treatment 0.525 0.0896 4.27 0.534 0.103 6.18 7.3922 0.9836 3123295 ChemDiv3_012850 Clc1ccc(CCNC(=O)CCn2c(=O)c3sccc3[nH]c2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I03 compound treatment 0.438 0.00256 0.12 0.442 0.0107 0.65 0.5427 0.8263 3123296 ChemDiv3_012851 O=c1n(CCCn2c(SCC#N)nc3ccccc3c2=O)c(SCC#N)nc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I04 compound treatment 0.439 0.00356 0.17 0.434 0.00272 0.16 0.2358 0.9998 3035835 ChemDiv3_012852 CC1CCCCN1CCNc2nc(=S)[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I05 compound treatment 0.467 0.0316 1.5 0.481 0.0497 2.99 3.1807 0.9493 3123297 ChemDiv3_012853 CCCCN(C)C(=O)Cc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I06 compound treatment 0.438 0.00256 0.12 0.447 0.0157 0.95 0.7556 0.7918 3035838 ChemDiv3_012854 S=c1nc(NC2CC2)c3ccccc3[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I07 compound treatment 0.438 0.00256 0.12 0.452 0.0207 1.25 0.9685 0.7727 3123298 ChemDiv3_012855 COc1cccc(c1)n2c(=S)sc3c(=O)n(c(SCC4OCCO4)nc23)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I08 compound treatment 0.449 0.0136 0.65 0.447 0.0157 0.95 1.1264 0.9827 3035840 ChemDiv3_012856 NC(=O)c1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I09 compound treatment 0.472 0.0366 1.74 0.467 0.0357 2.15 2.7532 0.9946 3123299 ChemDiv3_012857 CCOC(=O)c1sc(=S)n(c1N)c2ccc(OC)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I10 compound treatment 0.474 0.0386 1.84 0.473 0.0417 2.51 3.076 0.9882 3035842 ChemDiv3_012858 Brc1ccc2nc3c(cccn3c(=O)c2c1)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I11 compound treatment 0.506 0.0706 3.36 0.502 0.0707 4.26 5.3893 0.9932 1739349 ChemDiv3_012859 CCCn1c(=O)c2ccc(cc2[nH]c1=S)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I12 compound treatment 0.443 0.00756 0.36 0.449 0.0177 1.07 1.0093 0.8963 3123300 ChemDiv3_012860 Clc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCN4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I13 compound treatment 0.502 0.0666 3.17 0.497 0.0657 3.96 5.0416 0.994 1601402 ChemDiv3_012861 COC(CNC(=O)c1cccc(c1)n2c(=O)c3ccc(Cl)cc3[nH]c2=S)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I14 compound treatment 0.458 0.0226 1.08 0.446 0.0147 0.89 1.3872 0.9954 1450801 ChemDiv3_012862 CCCN(CCC)c1ncnc2n(ncc12)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I15 compound treatment 0.474 0.0386 1.84 0.478 0.0467 2.81 3.2889 0.9787 1131217 ChemDiv3_012863 Fc1cccc(CSc2nc3ccccc3c(=O)n2CC4CCCO4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I16 compound treatment 0.442 0.00656 0.31 0.443 0.0117 0.71 0.7201 0.933 3120257 ChemDiv3_012864 CCc1ccc(cc1)[N+]2=C3CCCCN3C(O)(C2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I17 compound treatment 0.458 0.0226 1.08 0.443 0.0117 0.71 1.2595 0.9791 3035846 ChemDiv3_012865 Cc1ccccc1N2C(=O)CSC2=C(C#N)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I18 compound treatment 0.517 0.0816 3.89 0.515 0.0837 5.04 6.3136 0.9918 1262485 ChemDiv3_012866 COCC(C)Nc1ncnc2n(cc(c3ccccc3)c12)c4ccc(C)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I19 compound treatment 0.446 0.0106 0.5 0.453 0.0217 1.31 1.2807 0.914 1515194 ChemDiv3_012867 COC(=O)c1ccccc1NC(=O)CSc2nc3ccsc3c(=O)n2Cc4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I20 compound treatment 0.57 0.135 6.41 0.573 0.142 8.53 10.5694 0.9901 1661054 ChemDiv3_012868 CCOc1ccc(cc1)n2cc(c3ccccc3)c4c(NCC=C)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I21 compound treatment 0.618 0.183 8.7 0.556 0.125 7.51 11.4636 0.9973 3036011 ChemDiv3_012869 Fc1ccc(CSc2nc3ccsc3c(=O)n2NC(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I22 compound treatment 0.47 0.0346 1.65 0.461 0.0297 1.79 2.4303 0.9992 1602477 ChemDiv3_012870 COC(=O)c1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I23 mock treatment 0.436 5.63E-4 0.03 0.432 7.19E-4 0.04 0.0496 0.9735 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 I24 mock treatment 0.451 0.0156 0.74 0.428 -0.00328 -0.2 0.3849 0.5013 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J01 compound treatment 0.45 0.0146 0.69 0.46 0.0287 1.73 1.7136 0.9196 1624497 ChemDiv3_012871 CCCCC1CCC(CC1)C(=O)Nc2c3CS(=O)(=O)Cc3nn2c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J02 compound treatment 0.425 -0.0104 -0.5 0.432 7.19E-4 0.04 -0.3212 -0.6432 3120258 ChemDiv3_012872 C(NC1CCCCCC1)c2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J03 compound treatment 0.447 0.0116 0.55 0.443 0.0117 0.71 0.8887 0.9925 3036016 ChemDiv3_012873 O=C1CCCN2N(CN(Cc3ccccc3)Cc4ccccc4)C(=S)SC2=N1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J04 compound treatment 0.438 0.00256 0.12 0.432 7.19E-4 0.04 0.117 0.9026 3120259 ChemDiv3_012874 CCc1ccc(cc1)C2=NNC(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J05 compound treatment 0.532 0.0966 4.6 0.553 0.122 7.33 8.437 0.9749 1566087 ChemDiv3_012875 CCn1cc(SCC(=O)N2N=C(CC2c3ccc(C)cc3)c4cccs4)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J06 compound treatment 0.438 0.00256 0.12 0.446 0.0147 0.89 0.713 0.797 3036021 ChemDiv3_012876 COc1ccccc1S(=O)Cc2ccc(o2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J07 compound treatment 0.506 0.0706 3.36 0.515 0.0837 5.04 5.9428 0.9807 3120260 ChemDiv3_012877 O=C(Nc1ccc(cc1)n2nncc2c3ccccc3)/C=C/c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J08 compound treatment 0.434 -0.00144 -0.07 0.434 0.00272 0.16 0.0673 0.3792 3036025 ChemDiv3_012878 COC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J09 compound treatment 0.461 0.0256 1.22 0.452 0.0207 1.25 1.7437 0.9999 1444272 ChemDiv3_012879 CC(C)(C)NC(=S)N1CCn2cccc2C1c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J10 compound treatment 0.473 0.0376 1.79 0.471 0.0397 2.39 2.9572 0.9898 3036028 ChemDiv3_012880 CC1=Nc2cc(ccc2Sc3c(C)ccc(C)c13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J11 compound treatment 0.461 0.0256 1.22 0.449 0.0177 1.07 1.616 0.9978 1076058 ChemDiv3_012881 CC(C)N1CSC(=S)N(Cc2ccccc2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J12 compound treatment 0.433 -0.00244 -0.12 0.443 0.0117 0.71 0.4168 0.5828 3036093 ChemDiv3_012882 CCOC(=O)C1CCN(CC1)C(=O)c2cnn(c2n3cccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J13 compound treatment 0.452 0.0166 0.79 0.454 0.0227 1.37 1.5255 0.9659 1166978 ChemDiv3_012883 Fc1ccc(NC(=O)c2cc(nc3ccccc23)N4CCN(CC4)c5ccc(F)cc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J14 compound treatment 0.478 0.0426 2.03 0.482 0.0507 3.05 3.594 0.9803 1351529 ChemDiv3_012884 C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1c3cccc4ccccc34)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J15 compound treatment 0.437 0.00156 0.07 0.427 -0.00428 -0.26 -0.1296 -0.483 1509996 ChemDiv3_012885 COC(=O)c1ccccc1NC(=O)C2CCCCC2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J16 compound treatment 0.432 -0.00344 -0.16 0.438 0.00672 0.4 0.1702 0.3899 1120274 ChemDiv3_012886 COC(CNC(=O)c1cc(ccc1F)S(=O)(=O)N2CC(C)CC(C)C2)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J17 compound treatment 0.446 0.0106 0.5 0.439 0.00772 0.46 0.6847 0.9992 1592909 ChemDiv3_012887 CC1CCCCC1NC(=O)c2cccc(c2)N3C(=O)C4C5CC(C=C5)C4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J18 compound treatment 0.436 5.63E-4 0.03 0.433 0.00172 0.1 0.0921 0.8619 1694150 ChemDiv3_012888 CCc1ccccc1n2c(SCc3cc(=O)n4ccccc4n3)nc5[nH]ncc5c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J19 compound treatment 0.505 0.0696 3.32 0.499 0.0677 4.08 5.2279 0.9947 1549433 ChemDiv3_012889 CCN(CC)S(=O)(=O)c1ccc(Cc2ccc(cc2)S(=O)(=O)N(CC)CC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J20 compound treatment 0.439 0.00356 0.17 0.438 0.00672 0.4 0.4061 0.9257 3120261 ChemDiv3_012890 N=c1[nH]c(SCc2cc(=O)n3ccccc3n2)ncc1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J21 compound treatment 0.45 0.0146 0.69 0.453 0.0217 1.31 1.4155 0.9561 1483711 ChemDiv3_012891 O=C(CSc1ncccc1C(=O)N2CCC(Cc3ccccc3)CC2)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J22 compound treatment 0.43 -0.00544 -0.26 0.424 -0.00728 -0.44 -0.4933 -0.9686 3036105 ChemDiv3_012892 NC(CSCc1ccccc1Cl)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J23 mock treatment 0.428 -0.00744 -0.35 0.424 -0.00728 -0.44 -0.5607 -0.9945 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 J24 mock treatment 0.439 0.00356 0.17 0.426 -0.00528 -0.32 -0.1048 -0.2906 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K01 compound treatment 0.518 0.0826 3.94 0.511 0.0797 4.8 6.177 0.9951 3120262 ChemDiv3_012893 COc1ccc(Cn2c(SCC#N)nc3ccc(cc3c2=O)N4CCOCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K02 compound treatment 0.469 0.0336 1.6 0.479 0.0477 2.87 3.1629 0.9618 3035553 ChemDiv3_012894 CCC(Sc1nc2ccsc2c(=O)n1C3CC3)C(=O)Nc4ccc(CC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K03 compound treatment 0.477 0.0416 1.98 0.465 0.0337 2.03 2.8365 0.9999 3120263 ChemDiv3_012895 O=C(Cc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K04 compound treatment 0.435 -4.37E-4 -0.02 0.427 -0.00428 -0.26 -0.197 -0.7618 3120264 ChemDiv3_012896 CCN(CCCNc1nc(=S)[nH]c2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K05 compound treatment 0.44 0.00456 0.22 0.447 0.0157 0.95 0.823 0.8475 3035557 ChemDiv3_012897 CCOC(=O)c1sc2nc(SCC(=O)C(C)(C)C)n(Cc3ccccc3Cl)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K06 compound treatment 0.424 -0.0114 -0.55 0.417 -0.0143 -0.86 -0.9936 -0.9758 1521442 ChemDiv3_012898 Clc1ccccc1CSc2nc(NCC3CCCO3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K07 compound treatment 0.517 0.0816 3.89 0.554 0.123 7.39 7.974 0.955 3120265 ChemDiv3_012899 CCOC(=O)CSc1nc2n(c3ccccc3C)c(=S)sc2c(=O)n1c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K08 compound treatment 0.468 0.0326 1.55 0.477 0.0457 2.75 3.0441 0.9632 3035617 ChemDiv3_012900 Cc1ccc(CNC(=O)C2CCC(CNc3nc(=S)[nH]c4ccccc34)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K09 compound treatment 0.451 0.0156 0.74 0.452 0.0207 1.25 1.4067 0.9692 3120266 ChemDiv3_012901 COC(=O)c1sc(=S)n(c1N)c2cc(OC)ccc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K10 compound treatment 0.453 0.0176 0.84 0.448 0.0167 1.01 1.3038 0.9958 3120267 ChemDiv3_012902 Brc1ccc2nc3c(cccn3c(=O)c2c1)C(=O)NC4CCCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K11 compound treatment 0.51 0.0746 3.55 0.501 0.0697 4.2 5.4816 0.9966 1528121 ChemDiv3_012903 COc1ccc(CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K12 compound treatment 0.441 0.00556 0.27 0.452 0.0207 1.25 1.0696 0.8387 3120268 ChemDiv3_012904 CCOC(=O)c1sc2nc3SCC(=Nn3c(=O)c2c1C)c4cc5cc(Cl)ccc5oc4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K13 compound treatment 0.425 -0.0104 -0.5 0.441 0.00972 0.59 0.0619 0.0807 3035625 ChemDiv3_012905 O=C(N1CCNCC1)c2ccc3c(=O)n(Cc4ccc5OCOc5c4)c(=S)[nH]c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K14 compound treatment 0.539 0.104 4.94 0.543 0.112 6.73 8.2472 0.9884 1489972 ChemDiv3_012906 CC(C)CN(CC(C)C)c1ncnc2n(ncc12)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K15 compound treatment 0.492 0.0566 2.7 0.495 0.0637 3.84 4.6194 0.9851 1732204 ChemDiv3_012907 CCOC(=O)CSc1nc2cc(ccc2c(=O)n1CC=C)C(=O)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K16 compound treatment 0.513 0.0776 3.7 0.518 0.0867 5.22 6.3065 0.9857 1721842 ChemDiv3_012908 CC(C)CNc1ncnc2n(cc(c3ccccc3)c12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K17 compound treatment 0.449 0.0136 0.65 0.45 0.0187 1.13 1.2541 0.9652 3120452 ChemDiv3_012909 Cc1ccccc1CSC(=C(C#N)C(=O)NCc2ccco2)SCc3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K18 compound treatment 0.444 0.00856 0.41 0.433 0.00172 0.1 0.3618 0.8592 1324880 ChemDiv3_012910 Cc1ccc(cc1Cl)n2cc(c3ccccc3)c4c(NN5CCOCC5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K19 compound treatment 0.538 0.103 4.89 0.488 0.0567 3.42 5.8719 0.9846 3035701 ChemDiv3_012911 CCCCn1c(SCC(=O)c2ccccc2)nc3ccsc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K20 compound treatment 0.494 0.0586 2.79 0.518 0.0867 5.22 5.666 0.957 3120453 ChemDiv3_012912 FC(F)(F)c1cccc(c1)n2cc(c3ccccc3)c4c(NCC=C)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K21 compound treatment 0.514 0.0786 3.75 0.521 0.0897 5.4 6.4679 0.984 3035705 ChemDiv3_012913 COc1ccc(NC(=O)C2CCC(Cn3c(=O)c4sccc4[nH]c3=S)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K22 compound treatment 0.499 0.0636 3.03 0.504 0.0727 4.38 5.2385 0.9838 1400316 ChemDiv3_012914 COc1cc2CCN(C(COc3cc(C)cc(C)c3)c2cc1OC)C(=O)Cc4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K23 mock treatment 0.429 -0.00644 -0.31 0.426 -0.00528 -0.32 -0.4418 -0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 K24 mock treatment 0.449 0.0136 0.65 0.439 0.00772 0.46 0.7858 0.9869 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L01 compound treatment 0.483 0.0476 2.27 0.469 0.0377 2.27 3.2091 1.0 1372066 ChemDiv3_012915 COc1cc(cc(OC)c1OC)C(=O)Nc2c3CS(=O)(=O)Cc3nn2c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L02 compound treatment 0.44 0.00456 0.22 0.436 0.00472 0.28 0.3547 0.9913 3035708 ChemDiv3_012916 OC(=O)c1cccc(c1)N2CCCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L03 compound treatment 0.449 0.0136 0.65 0.455 0.0237 1.43 1.467 0.9358 3035709 ChemDiv3_012917 CC1CCN(CN2N3CCCC(=O)N=C3SC2=S)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L04 compound treatment 0.44 0.00456 0.22 0.447 0.0157 0.95 0.823 0.8475 3120454 ChemDiv3_012918 COC(=O)c1cn(CC=C)c2ccc(cc2c1=O)S(=O)(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L05 compound treatment 0.522 0.0866 4.13 0.543 0.112 6.73 7.6742 0.9725 1237033 ChemDiv3_012919 CCCn1cc(SCC(=O)N2CCc3ccccc23)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L06 compound treatment 0.437 0.00156 0.07 0.445 0.0137 0.83 0.6367 0.7678 3120455 ChemDiv3_012920 CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L07 compound treatment 0.452 0.0166 0.79 0.448 0.0167 1.01 1.2701 0.9928 1394940 ChemDiv3_012921 Fc1cccc(F)c1C(=O)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L08 compound treatment 0.441 0.00556 0.27 0.437 0.00572 0.34 0.431 0.9917 3120456 ChemDiv3_012922 Cc1ccsc1c2nc(CSCC(=O)O)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L09 compound treatment 0.496 0.0606 2.89 0.508 0.0767 4.62 5.3077 0.9744 1398310 ChemDiv3_012923 COc1ccc(OC)c(c1)C2N(CCn3cccc23)C(=S)NC(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L10 compound treatment 0.439 0.00356 0.17 0.435 0.00372 0.22 0.2784 0.9907 3120457 ChemDiv3_012924 Cc1ccc(cc1)C(=O)C2COC(=O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L11 compound treatment 0.445 0.00956 0.46 0.449 0.0177 1.07 1.0767 0.9281 1569910 ChemDiv3_012925 S=C1SCN(CCN2CCOCC2)CN1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L12 compound treatment 0.442 0.00656 0.31 0.441 0.00972 0.59 0.635 0.957 3120458 ChemDiv3_012926 CC(C)(C)NC(=O)c1sccc1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L13 compound treatment 0.472 0.0366 1.74 0.473 0.0417 2.51 3.0086 0.9841 1726587 ChemDiv3_012927 CC1C=CCC2C1C(=O)N(C2=O)c3ccc4CCCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L14 compound treatment 0.431 -0.00444 -0.21 0.444 0.0127 0.77 0.3919 0.4933 3035783 ChemDiv3_012928 COC(=O)c1cnn(C(=O)c2ccccc2Br)c1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L15 compound treatment 0.511 0.0756 3.6 0.519 0.0877 5.28 6.2816 0.9826 3120459 ChemDiv3_012929 COc1cc(cc(OC)c1OC)c2noc(n2)c3c(C)onc3c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L16 compound treatment 0.438 0.00256 0.12 0.45 0.0187 1.13 0.8833 0.7792 1153972 ChemDiv3_012930 COc1ccc(cc1)S(=O)(=O)NCCC(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L17 compound treatment 0.474 0.0386 1.84 0.478 0.0467 2.81 3.2889 0.9787 1451179 ChemDiv3_012931 O=C(NCCc1ccccc1)c2cccc(c2)N3C(=O)C4CC=CCC4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L18 compound treatment 0.436 5.63E-4 0.03 0.437 0.00572 0.34 0.2624 0.7599 1630411 ChemDiv3_012932 CCc1ccccc1n2c(SCC(=O)N3CCCC3)nc4[nH]ncc4c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L19 compound treatment 0.481 0.0456 2.17 0.474 0.0427 2.57 3.3545 0.9965 1662144 ChemDiv3_012933 O=S(=O)(N1CCCCC1)c2ccc(Cc3ccc(cc3)S(=O)(=O)N4CCCCC4)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L20 compound treatment 0.442 0.00656 0.31 0.437 0.00572 0.34 0.4647 0.9989 3036993 ChemDiv3_012934 CC(=O)N/C(=C/c1ccccc1Br)/C(=O)NCc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L21 compound treatment 0.483 0.0476 2.27 0.476 0.0447 2.69 3.5071 0.9963 1495909 ChemDiv3_012935 COc1ccc(cc1)c2nc3cc(C)ccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L22 compound treatment 0.506 0.0706 3.36 0.507 0.0757 4.56 5.6022 0.9888 1381633 ChemDiv3_012936 CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N(CC=C)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L23 mock treatment 0.447 0.0116 0.55 0.445 0.0137 0.83 0.9738 0.9807 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 L24 mock treatment 0.44 0.00456 0.22 0.435 0.00372 0.22 0.3121 0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M01 compound treatment 0.494 0.0586 2.79 0.497 0.0657 3.96 4.772 0.9854 3120460 ChemDiv3_012937 O=c1n(CCc2ccccc2)c(SCC#N)nc3ccc(cc13)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M02 compound treatment 0.566 0.131 6.22 0.548 0.117 7.03 9.3702 0.9982 3036994 ChemDiv3_012938 CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc3ccsc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M03 compound treatment 0.478 0.0426 2.03 0.491 0.0597 3.6 3.9772 0.9633 3120461 ChemDiv3_012939 O=C(Cc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M04 compound treatment 0.447 0.0116 0.55 0.439 0.00772 0.46 0.7184 0.9964 3036995 ChemDiv3_012940 CCC1CCCCN1CCCNc2nc(=S)[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M05 compound treatment 0.444 0.00856 0.41 0.444 0.0127 0.77 0.8301 0.9566 1713525 ChemDiv3_012941 CCOC(=O)c1sc2nc(SCc3cccc(Cl)c3)n(Cc4cccs4)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M06 compound treatment 0.453 0.0176 0.84 0.458 0.0267 1.61 1.7295 0.9537 1497467 ChemDiv3_012942 Cc1ccc(CNC(=O)CSc2nc(NC3CCCCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M07 compound treatment 0.565 0.13 6.18 0.557 0.126 7.57 9.7197 0.9949 3036996 ChemDiv3_012943 Cc1cc(ccc1Cl)n2c(=S)sc3c(=O)n(c(SCC#N)nc23)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M08 compound treatment 0.487 0.0516 2.46 0.49 0.0587 3.54 4.238 0.9842 3120462 ChemDiv3_012944 Clc1cccc(CNC(=O)Cc2csc(Nc3nc(=S)[nH]c4ccccc34)n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M09 compound treatment 0.47 0.0346 1.65 0.479 0.0477 2.87 3.1966 0.9652 1871501 ChemDiv3_012945 COc1cc2[nH]c(=S)n(CCc3ccccc3)c(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M10 compound treatment 0.463 0.0276 1.31 0.466 0.0347 2.09 2.4072 0.975 3120463 ChemDiv3_012946 CCOC(=O)N1CCN(CC1)C(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M11 compound treatment 0.435 -4.37E-4 -0.02 0.434 0.00272 0.16 0.101 0.6121 1644897 ChemDiv3_012947 CCCn1c(=O)c2ccc(cc2[nH]c1=S)C(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M12 compound treatment 0.444 0.00856 0.41 0.458 0.0267 1.61 1.4262 0.8593 1480601 ChemDiv3_012948 CC(C)(C)Nc1ncnc2n(ncc12)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M13 compound treatment 0.426 -0.00944 -0.45 0.431 -2.81E-4 -0.02 -0.3301 -0.7332 3120464 ChemDiv3_012949 CN(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccc4OCOc4c3)c(=S)[nH]c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M14 compound treatment 0.529 0.0936 4.46 0.516 0.0847 5.1 6.7607 0.9978 1601359 ChemDiv3_012950 CC(C)CN(CC(C)C)c1ncnc2n(ncc12)c3cccc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M15 compound treatment 0.434 -0.00144 -0.07 0.431 -2.81E-4 -0.02 -0.0604 -0.8561 1137565 ChemDiv3_012951 C=CCn1c(SCC(=O)N2CCCC2)nc3cc(ccc3c1=O)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M16 compound treatment 0.428 -0.00744 -0.35 0.433 0.00172 0.1 -0.1775 -0.4807 3036997 ChemDiv3_012952 Clc1ccc(cc1)n2cc(c3ccccc3)c4c(NCCCN5CCOCC5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M17 compound treatment 0.452 0.0166 0.79 0.457 0.0257 1.55 1.6533 0.9511 3120465 ChemDiv3_012953 CCSC(=C(C#N)C(=O)Nc1ccccc1)SCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M18 compound treatment 0.511 0.0756 3.6 0.504 0.0727 4.38 5.643 0.9953 1271088 ChemDiv3_012954 Clc1cccc(c1)n2cc(c3ccccc3)c4c(NCC5CCCO5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M19 compound treatment 0.441 0.00556 0.27 0.428 -0.00328 -0.2 0.0478 0.1446 3036998 ChemDiv3_012955 CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc3ccsc3c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M20 compound treatment 0.43 -0.00544 -0.26 0.437 0.00572 0.34 0.0602 0.1397 1672786 ChemDiv3_012956 CCN1CCN(CC1)c2ncnc3n(cc(c4ccccc4)c23)c5ccc(Cl)cc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M21 compound treatment 0.428 -0.00744 -0.35 0.431 -2.81E-4 -0.02 -0.2627 -0.74 3120466 ChemDiv3_012957 CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M22 compound treatment 0.439 0.00356 0.17 0.437 0.00572 0.34 0.3636 0.9469 1269342 ChemDiv3_012958 COc1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)Nc4ccc(Cl)cc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M23 mock treatment 0.44 0.00456 0.22 0.435 0.00372 0.22 0.3121 0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 M24 mock treatment 0.461 0.0256 1.22 0.439 0.00772 0.46 1.1903 0.9127 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N01 compound treatment 0.491 0.0556 2.65 0.51 0.0787 4.74 5.2243 0.9622 1313230 ChemDiv3_012959 Fc1ccc(cc1)n2nc3CS(=O)(=O)Cc3c2NC(=O)COc4ccc5ccccc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N02 compound treatment 0.437 0.00156 0.07 0.442 0.0107 0.65 0.509 0.7835 3036999 ChemDiv3_012960 CCC(=O)Nc1cc(ccc1Sc2ccc(OC)cc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N03 compound treatment 0.48 0.0446 2.12 0.482 0.0507 3.05 3.6614 0.9843 1567205 ChemDiv3_012961 COc1ccc(CCNC(=O)CSc2cn(Cc3ccc(F)cc3)c4ccccc24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N04 compound treatment 0.435 -4.37E-4 -0.02 0.431 -2.81E-4 -0.02 -0.0267 -0.9947 3037000 ChemDiv3_012962 Cc1ccc(CN2CCCNC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N05 compound treatment 0.535 0.0996 4.75 0.557 0.126 7.57 8.7085 0.9747 1421939 ChemDiv3_012963 CCCn1cc(SCC(=O)N2N=C(CC2c3ccc(OC)cc3)c4cccs4)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N06 compound treatment 0.429 -0.00644 -0.31 0.433 0.00172 0.1 -0.1438 -0.4441 3037001 ChemDiv3_012964 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)OC)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N07 compound treatment 0.506 0.0706 3.36 0.523 0.0917 5.52 6.2834 0.9717 3120648 ChemDiv3_012965 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N08 compound treatment 0.431 -0.00444 -0.21 0.437 0.00572 0.34 0.0939 0.2324 3037002 ChemDiv3_012966 COc1cccc(c1)c2nc(CS(=O)CC(=O)O)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N09 compound treatment 0.497 0.0616 2.93 0.497 0.0657 3.96 4.8731 0.9892 1586522 ChemDiv3_012967 S=C(NC1CCCCC1)N2CCn3cccc3C2c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N10 compound treatment 0.433 -0.00244 -0.12 0.437 0.00572 0.34 0.1613 0.4439 3037003 ChemDiv3_012968 CC1CCN(CC1)c2nnc(N)s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N11 compound treatment 0.375 -0.0604 -2.88 0.366 -0.0653 -3.93 -4.8165 -0.9883 3120649 ChemDiv3_012969 CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N12 compound treatment 0.435 -4.37E-4 -0.02 0.436 0.00472 0.28 0.1862 0.6534 3037004 ChemDiv3_012970 OC(=O)c1nsc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N13 compound treatment 0.443 0.00756 0.36 0.453 0.0217 1.31 1.1796 0.8696 1313548 ChemDiv3_012971 CC1C=CCC2C1C(=O)N(C2=O)c3cccc(O)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N14 compound treatment 0.431 -0.00444 -0.21 0.431 -2.81E-4 -0.02 -0.1616 -0.7613 1622154 ChemDiv3_012972 Clc1cccc(c1)N2CCN(CC2)C(=O)CCN3C(=O)c4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N15 compound treatment 0.452 0.0166 0.79 0.462 0.0307 1.85 1.8661 0.9279 3120650 ChemDiv3_012973 Brc1ccc(cc1)C(=O)NN2S(=O)(=O)c3ccccc3S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N16 compound treatment 0.434 -0.00144 -0.07 0.443 0.0117 0.71 0.4505 0.6354 1382984 ChemDiv3_012974 OC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N17 compound treatment 0.456 0.0206 0.98 0.456 0.0247 1.49 1.7455 0.9795 1368603 ChemDiv3_012975 CN(C1CCCCC1)C(=O)c2ccc3C(=O)N(CCC4=CCCCC4)C(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N18 compound treatment 0.428 -0.00744 -0.35 0.436 0.00472 0.28 -0.0498 -0.1096 1468722 ChemDiv3_012976 Brc1ccc(o1)C(=O)NCCC(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N19 compound treatment 0.525 0.0896 4.27 0.531 0.0997 6.0 7.2644 0.986 1444512 ChemDiv3_012977 CC(C)CCNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCCC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N20 compound treatment 0.43 -0.00544 -0.26 0.436 0.00472 0.28 0.0176 0.0458 3120651 ChemDiv3_012978 CC(=O)N/C(=C/c1ccccc1Br)/C(=O)NC2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N21 compound treatment 0.452 0.0166 0.79 0.442 0.0107 0.65 1.0146 0.995 3037005 ChemDiv3_012979 OC(=O)c1cc(Sc2ccccc2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N22 compound treatment 0.44 0.00456 0.22 0.439 0.00772 0.46 0.4824 0.9402 1516541 ChemDiv3_012980 CCc1ccccc1NC(=O)CCSc2nc3n[nH]c(C)c3c(=N)n2c4cccc(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N23 mock treatment 0.437 0.00156 0.07 0.426 -0.00528 -0.32 -0.1722 -0.5272 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 N24 mock treatment 0.443 0.00756 0.36 0.43 -0.00128 -0.08 0.2004 0.5435 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O01 compound treatment 0.458 0.0226 1.08 0.443 0.0117 0.71 1.2595 0.9791 3120652 ChemDiv3_012981 Fc1ccc(CSc2nc3ccc(cc3c(=O)n2CCc4ccccc4)N5CCOCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O02 compound treatment 0.461 0.0256 1.22 0.456 0.0247 1.49 1.914 0.9951 3037006 ChemDiv3_012982 O=C(CSc1nc2ccsc2c(=O)n1Cc3ccccn3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O03 compound treatment 0.459 0.0236 1.12 0.452 0.0207 1.25 1.6763 0.9986 3120653 ChemDiv3_012983 O=C(Cc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O04 compound treatment 0.441 0.00556 0.27 0.442 0.0107 0.65 0.6438 0.9228 3037007 ChemDiv3_012984 Fc1ccccc1N2CCN(CCCNc3nc(=S)[nH]c4ccccc34)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O05 compound treatment 0.446 0.0106 0.5 0.457 0.0257 1.55 1.451 0.8911 3120654 ChemDiv3_012985 CN(C)C(=O)c1sc2[nH]c(=S)n(CCc3ccc(Cl)cc3)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O06 compound treatment 0.436 5.63E-4 0.03 0.438 0.00672 0.4 0.305 0.7523 1227465 ChemDiv3_012986 COc1ccc(CCNc2nc(SCC(=O)c3ccc(F)cc3)nc4ccccc24)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O07 compound treatment 0.537 0.102 4.84 0.538 0.107 6.43 7.967 0.9903 3037008 ChemDiv3_012987 CCc1ccc(cc1)n2c(=S)sc3c(=O)n(c(SCC#N)nc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O08 compound treatment 0.631 0.196 9.32 0.619 0.188 11.3 14.584 0.9954 3120655 ChemDiv3_012988 Clc1cccc(c1)N2CCN(CC2)C(=O)Cc3csc(Nc4nc(=S)[nH]c5ccccc45)n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O09 compound treatment 0.439 0.00356 0.17 0.441 0.00972 0.59 0.5339 0.8762 1071880 ChemDiv3_012989 CC(C)n1c(=O)c2ccccc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O10 compound treatment 0.448 0.0126 0.6 0.446 0.0147 0.89 1.0501 0.9818 3037009 ChemDiv3_012990 CC(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O11 compound treatment 0.477 0.0416 1.98 0.482 0.0507 3.05 3.5603 0.9781 1237773 ChemDiv3_012991 O=C(NCc1ccco1)c2ccc(cc2)n3c(=O)c4ccccc4[nH]c3=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O12 compound treatment 0.447 0.0116 0.55 0.443 0.0117 0.71 0.8887 0.9925 1672781 ChemDiv3_012992 COc1ccc(cc1)n2ncc3c(NCCc4ccccc4)ncnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O13 compound treatment 0.434 -0.00144 -0.07 0.446 0.0147 0.89 0.5782 0.6505 1392339 ChemDiv3_012993 COC(CNC(=O)c1ccc2c(=O)n(Cc3ccccc3OC)c(=S)[nH]c2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O14 compound treatment 0.561 0.126 5.99 0.561 0.13 7.81 9.7552 0.9914 1445000 ChemDiv3_012994 COc1ccc(cc1)n2ncc3c(ncnc23)N(Cc4ccccc4)Cc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O15 compound treatment 0.513 0.0776 3.7 0.525 0.0937 5.64 6.6045 0.979 1209971 ChemDiv3_012995 Clc1ccc(CSc2nc3cc(ccc3c(=O)n2CC=C)C(=O)NCc4ccco4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O16 compound treatment 0.481 0.0456 2.17 0.485 0.0537 3.23 3.8229 0.9812 1123451 ChemDiv3_012996 CCCNc1ncnc2n(cc(c3ccccc3)c12)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O17 compound treatment 0.529 0.0936 4.46 0.532 0.101 6.06 7.4418 0.9886 1375674 ChemDiv3_012997 Cc1ccccc1CSc2nc3ccsc3c(=O)n2Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O18 compound treatment 0.55 0.115 5.46 0.543 0.112 6.73 8.618 0.9947 1255048 ChemDiv3_012998 Fc1ccc(cc1)n2cc(c3ccccc3)c4c(NCCC5=CCCCC5)ncnc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O19 compound treatment 0.429 -0.00644 -0.31 0.44 0.00872 0.52 0.1542 0.2536 1325665 ChemDiv3_012999 CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1c3cccc(Cl)c3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O20 compound treatment 0.488 0.0526 2.51 0.48 0.0487 2.93 3.8459 0.9969 1303433 ChemDiv3_013000 COc1ccc(cc1)n2cc(c3ccccc3)c4c(ncnc24)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O21 compound treatment 0.493 0.0576 2.74 0.473 0.0417 2.51 3.7165 0.999 3037010 ChemDiv3_013001 OC(=O)C1CCC(Cn2c(SCc3ccccc3Cl)nc4ccsc4c2=O)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O22 compound treatment 0.443 0.00756 0.36 0.44 0.00872 0.52 0.6261 0.9832 3120656 ChemDiv3_013002 COc1ccccc1OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)/C=C/c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O23 mock treatment 0.437 0.00156 0.07 0.428 -0.00328 -0.2 -0.087 -0.4122 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 O24 mock treatment 0.451 0.0156 0.74 0.439 0.00772 0.46 0.8532 0.9746 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P01 compound treatment 0.424 -0.0114 -0.55 0.407 -0.0243 -1.46 -1.4193 -0.9096 3120657 ChemDiv3_013003 COc1ccc(cc1)n2nc3CS(=O)(=O)Cc3c2NC(=O)/C=C\c4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P02 compound treatment 0.441 0.00556 0.27 0.452 0.0207 1.25 1.0696 0.8387 3037011 ChemDiv3_013004 CCOC(=O)/C=C(\C)/Nc1ccc(CC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P03 compound treatment 0.482 0.0466 2.22 0.489 0.0577 3.48 4.0269 0.9765 1525140 ChemDiv3_013005 Cc1cc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c4ccccc24)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P04 compound treatment 0.442 0.00656 0.31 0.438 0.00672 0.4 0.5073 0.9919 3037166 ChemDiv3_013006 CCOC(=O)CCN1N=C(CCC1=O)c2ccc(CC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P05 compound treatment 0.469 0.0336 1.6 0.464 0.0327 1.97 2.5243 0.9947 1474541 ChemDiv3_013007 CCCn1cc(SCC(=O)Nc2sc3CCCc3c2C(=O)OCC)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P06 compound treatment 0.435 -4.37E-4 -0.02 0.446 0.0147 0.89 0.6119 0.6903 3037225 ChemDiv3_013008 CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)O)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P07 compound treatment 0.514 0.0786 3.75 0.522 0.0907 5.46 6.5105 0.9831 3037227 ChemDiv3_013009 O=C(Nc1ccc(cc1)n2nncc2c3ccccc3)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P08 compound treatment 0.43 -0.00544 -0.26 0.435 0.00372 0.22 -0.025 -0.0729 1079745 ChemDiv3_013010 c1ccc(cc1)c2n[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P09 compound treatment 0.492 0.0566 2.7 0.485 0.0537 3.23 4.1937 0.9959 1377188 ChemDiv3_013011 Cc1cccc(NC(=S)N2CCn3cccc3C2c4cccs4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P10 compound treatment 0.427 -0.00844 -0.4 0.435 0.00372 0.22 -0.1261 -0.2739 3037229 ChemDiv3_013012 COC(=O)c1cc2CS(=O)Cc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P11 compound treatment 0.384 -0.0514 -2.45 0.379 -0.0523 -3.15 -3.9597 -0.9924 3037231 ChemDiv3_013013 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc4[nH]cc(C(=O)O)c(=O)c4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P12 compound treatment 0.43 -0.00544 -0.26 0.428 -0.00328 -0.2 -0.323 -0.991 3037232 ChemDiv3_013014 CCOC(=O)C(C)n1nc(C)c2sc3ccccc3c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P13 compound treatment 0.446 0.0106 0.5 0.44 0.00872 0.52 0.7272 0.9998 1140560 ChemDiv3_013015 Clc1ccccc1CN2C(=O)C3C4CC(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P14 compound treatment 0.436 5.63E-4 0.03 0.433 0.00172 0.1 0.0921 0.8619 1169032 ChemDiv3_013016 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)N2CCN(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P15 compound treatment 0.561 0.126 5.99 0.572 0.141 8.47 10.2235 0.9855 3037235 ChemDiv3_013017 Cc1ccc2-c3cc(cn3CCn12)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P16 compound treatment 0.435 -4.37E-4 -0.02 0.439 0.00772 0.46 0.3139 0.6747 1441240 ChemDiv3_013018 Brc1ccc(cc1)S(=O)(=O)NCCC(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P17 compound treatment 0.454 0.0186 0.88 0.44 0.00872 0.52 0.9969 0.9689 1709137 ChemDiv3_013019 CC1CCN(CC1)C(=O)c2ccc3C(=O)N(CCC4=CCCCC4)C(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P18 compound treatment 0.431 -0.00444 -0.21 0.438 0.00672 0.4 0.1365 0.2989 3120838 ChemDiv3_013020 CC1CCCCC1NC(=O)/C(=C/c2ccccc2)/NC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P19 compound treatment 0.416 -0.0194 -0.93 0.427 -0.00428 -0.26 -0.8375 -0.8708 1406386 ChemDiv3_013021 CN(Cc1ccccc1)C(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P20 compound treatment 0.479 0.0436 2.08 0.473 0.0417 2.51 3.2446 0.9955 1686034 ChemDiv3_013022 Fc1ccc(cc1C(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P21 compound treatment 0.437 0.00156 0.07 0.435 0.00372 0.22 0.211 0.8942 3037239 ChemDiv3_013023 CCc1ccc2nc(N)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P22 compound treatment 0.511 0.0756 3.6 0.441 0.00972 0.59 2.9608 0.8113 1686507 ChemDiv3_013024 CCCN(CCC)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc2cc(C)ccc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P23 mock treatment 0.424 -0.0114 -0.55 0.447 0.0157 0.95 0.2837 0.2597 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2037 P24 mock treatment 0.428 -0.00744 -0.35 0.418 -0.0133 -0.8 -0.8161 -0.933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A01 compound treatment 0.432 -7.19E-4 -0.03 0.436 0.00313 0.19 0.109 0.5692 1352680 ChemDiv3_013025 CCOC(=O)C1CCN(CC1)C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A02 compound treatment 0.461 0.0283 1.35 0.46 0.0271 1.63 2.1083 0.9955 3037241 ChemDiv3_013026 COc1ccccc1CNC(=O)c2ccc3nc4SCCc4cc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A03 compound treatment 0.434 0.00128 0.06 0.424 -0.00887 -0.53 -0.3345 -0.6222 1451293 ChemDiv3_013027 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC2CCC(CC2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A04 compound treatment 0.447 0.0143 0.68 0.431 -0.00187 -0.11 0.4017 0.5822 3037244 ChemDiv3_013028 COc1ccc(Br)cc1/C=C/C(=O)NCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A05 compound treatment 0.428 -0.00472 -0.22 0.436 0.00313 0.19 -0.0258 -0.0881 1483715 ChemDiv3_013029 Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)O)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A06 compound treatment 0.426 -0.00672 -0.32 0.432 -8.71E-4 -0.05 -0.2636 -0.8121 3037246 ChemDiv3_013030 CCC(C)N1Cc2ccccc2N(CC)C1c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A07 compound treatment 0.443 0.0103 0.49 0.423 -0.00987 -0.59 -0.0737 -0.0957 3120839 ChemDiv3_013031 O=S(=O)(Cc1ccccc1)C2=C(CCCCCC2)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A08 compound treatment 0.443 0.0103 0.49 0.448 0.0151 0.91 0.9907 0.9577 3120840 ChemDiv3_013032 Cc1cc(NC(=O)CSCc2nc(oc2C)c3ccc(C)cc3)no1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A09 compound treatment 0.426 -0.00672 -0.32 0.438 0.00513 0.31 -0.0081 -0.0182 3037285 ChemDiv3_013033 Cc1ccc(CNc2ccc(cc2)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A10 compound treatment 0.438 0.00528 0.25 0.438 0.00513 0.31 0.3964 0.9949 3037286 ChemDiv3_013034 Cc1ccc(cc1)S(=O)(=O)N2CCC(=CC2)C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A11 compound treatment 0.441 0.00828 0.39 0.433 1.29E-4 0.01 0.2846 0.7209 1035119 ChemDiv3_013035 COc1ccc(CNCC(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A12 compound treatment 0.506 0.0733 3.49 0.495 0.0621 3.74 5.1153 0.9994 3037288 ChemDiv3_013036 CCOc1ccc(NC(=O)Cn2c3CCCCc3c(cc2=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A13 compound treatment 0.448 0.0153 0.73 0.431 -0.00187 -0.11 0.4354 0.5907 1013700 ChemDiv3_013037 CC(=C1N=C(OC1=O)c2ccccc2)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A14 compound treatment 0.434 0.00128 0.06 0.437 0.00413 0.25 0.219 0.8554 3037290 ChemDiv3_013038 CCOC(=O)C1CCN(CC1)c2nc3cc(Br)ccc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A15 compound treatment 0.458 0.0253 1.21 0.45 0.0171 1.03 1.5814 0.997 3037292 ChemDiv3_013039 Cc1ccc(Cn2cc(CCC(=O)O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A16 compound treatment 0.447 0.0143 0.68 0.455 0.0221 1.33 1.4235 0.9514 3037293 ChemDiv3_013040 Cc1ccccc1CSCCC(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A17 compound treatment 0.431 -0.00172 -0.08 0.431 -0.00187 -0.11 -0.1376 -0.9878 3120841 ChemDiv3_013041 Cc1ccc(cc1)C2=NNC(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A18 compound treatment 0.43 -0.00272 -0.13 0.436 0.00313 0.19 0.0416 0.1818 1680893 ChemDiv3_013042 COC(CNC(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A19 compound treatment 0.461 0.0283 1.35 0.454 0.0211 1.27 1.8529 0.9996 3037296 ChemDiv3_013043 COC(=O)c1cc2CN(Cc2s1)c3cc(C)cc(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A20 compound treatment 0.43 -0.00272 -0.13 0.425 -0.00787 -0.47 -0.4267 -0.8686 3120842 ChemDiv3_013044 CCC1Oc2ccc(C)cc2NC1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A21 compound treatment 0.419 -0.0137 -0.65 0.428 -0.00487 -0.29 -0.6698 -0.9345 3037298 ChemDiv3_013045 C(N1CCN(CC1)c2ccccc2)c3cn(Cc4ccccc4)c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A22 compound treatment 0.426 -0.00672 -0.32 0.428 -0.00487 -0.29 -0.4339 -0.999 3120843 ChemDiv3_013046 COC(CNC(=O)c1ccc2nc(c3ccccc3)c(nc2c1)c4ccccc4)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A23 mock treatment 0.426 -0.00672 -0.32 0.426 -0.00687 -0.41 -0.519 -0.992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 A24 mock treatment 0.403 -0.0297 -1.42 0.427 -0.00587 -0.35 -1.2517 -0.8573 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B01 compound treatment 0.443 0.0103 0.49 0.453 0.0201 1.21 1.2035 0.9206 3037299 ChemDiv3_013047 COC(=O)c1cnn2c3CCCCc3c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B02 compound treatment 0.449 0.0163 0.78 0.449 0.0161 0.97 1.2355 0.9938 3120844 ChemDiv3_013048 Cc1ccccc1CN2C(=O)C3(OCCCO3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B03 compound treatment 0.452 0.0193 0.92 0.448 0.0151 0.91 1.294 1.0 3120845 ChemDiv3_013049 Cc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B04 compound treatment 0.45 0.0173 0.82 0.442 0.00913 0.55 0.9712 0.9807 3037301 ChemDiv3_013050 Cc1ccc(Cn2c(=O)cc(C(=O)NC3CCCCC3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B05 compound treatment 0.52 0.0873 4.16 0.5 0.0671 4.04 5.8 0.9999 3120846 ChemDiv3_013051 O=C(CNC(=S)N(Cc1cccs1)C2CCCC2)NC3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B06 compound treatment 0.453 0.0203 0.97 0.458 0.0251 1.51 1.7535 0.9766 3120847 ChemDiv3_013052 CCCCN(C)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B07 compound treatment 0.457 0.0243 1.16 0.449 0.0161 0.97 1.5052 0.9962 3037304 ChemDiv3_013053 CC(C)CCNC(=O)C1C2C(=O)N(Cc3ccccc3)CC42OC1(C)C=C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B08 compound treatment 0.446 0.0133 0.63 0.446 0.0131 0.79 1.0066 0.9939 3120848 ChemDiv3_013054 CCC1Oc2ccc(C)cc2N(CC(=O)NC(C)CCc3ccccc3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B09 compound treatment 0.465 0.0323 1.54 0.468 0.0351 2.12 2.5837 0.9878 3120849 ChemDiv3_013055 COc1cc(Cl)c(C)cc1NC(=S)N(CC2CCC(CC2)C(=O)O)Cc3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B10 compound treatment 0.437 0.00428 0.2 0.448 0.0151 0.91 0.7884 0.8446 3037307 ChemDiv3_013056 Cc1ccc(C)c(Cc2c(C)nc3c(cnn3c2C)C(=O)NC4CC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B11 compound treatment 0.438 0.00528 0.25 0.442 0.00913 0.55 0.5667 0.9373 3120850 ChemDiv3_013057 CCC(C)NC(=O)c1cc(nc2ccccc12)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B12 compound treatment 0.447 0.0143 0.68 0.448 0.0151 0.91 1.1255 0.9897 3037308 ChemDiv3_013058 OC(=O)c1cccnc1SCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B13 compound treatment 0.459 0.0263 1.25 0.446 0.0131 0.79 1.4448 0.9753 3037345 ChemDiv3_013059 CC(CCc1ccccc1)NC(=O)CSc2nc3nc(C)cc(C)n3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B14 compound treatment 0.44 0.00728 0.35 0.437 0.00413 0.25 0.4212 0.9866 3037346 ChemDiv3_013060 OC(=O)c1ccccc1C(=O)NCc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B15 compound treatment 0.473 0.0403 1.92 0.477 0.0441 2.66 3.2366 0.9873 3037347 ChemDiv3_013061 Cc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B16 compound treatment 0.444 0.0113 0.54 0.443 0.0101 0.61 0.8115 0.998 3037350 ChemDiv3_013062 O=C(NCc1ccccc1)C2CCCN(C2)S(=O)(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B17 compound treatment 0.45 0.0173 0.82 0.457 0.0241 1.45 1.6098 0.9639 3037351 ChemDiv3_013063 O=C(NC1CC1)c2ccc3SCC(=O)N(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B18 compound treatment 0.514 0.0813 3.87 0.506 0.0731 4.4 5.8532 0.998 3037352 ChemDiv3_013064 COc1ccc(NC(=O)c2oc3ccc(cc3c2C)S(=O)(=O)N4CCC5(CC4)OCCO5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B19 compound treatment 0.444 0.0113 0.54 0.447 0.0141 0.85 0.9818 0.9755 3120851 ChemDiv3_013065 O=C(N1CCCC1)c2ccc3Sc4ccccc4C(=O)N(Cc5ccccc5)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B20 compound treatment 0.443 0.0103 0.49 0.439 0.00613 0.37 0.6075 0.9902 1133577 ChemDiv3_013066 COc1ccccc1CNC(=O)C2CCCN(C2)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B21 compound treatment 0.442 0.00928 0.44 0.444 0.0111 0.67 0.7867 0.9797 3120852 ChemDiv3_013067 O=C1N(CN(CCc2ccccc2)Cc3ccccc3)c4ccccc4C51OCCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B22 compound treatment 0.465 0.0323 1.54 0.452 0.0191 1.15 1.9025 0.9898 3037355 ChemDiv3_013068 O=C(NCCc1ccccc1)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B23 mock treatment 0.438 0.00528 0.25 0.443 0.0101 0.61 0.6093 0.9234 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 B24 mock treatment 0.435 0.00228 0.11 0.436 0.00313 0.19 0.2101 0.9659 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C01 compound treatment 0.439 0.00628 0.3 0.432 -8.71E-4 -0.05 0.1746 0.5745 3120853 ChemDiv3_013069 COc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NC3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C02 compound treatment 0.547 0.114 5.45 0.537 0.104 6.27 8.2854 0.9975 3120854 ChemDiv3_013070 CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)/Sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C03 compound treatment 0.419 -0.0137 -0.65 0.421 -0.0119 -0.71 -0.9678 -0.999 1390430 ChemDiv3_013071 CC(C)C(CC(=O)O)NS(=O)(=O)c1ccc(F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C04 compound treatment 0.432 -7.19E-4 -0.03 0.432 -8.71E-4 -0.05 -0.0613 -0.9787 3120855 ChemDiv3_013072 CCn1cc(C2=NC(CO2)C(C)C)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C05 compound treatment 0.433 2.81E-4 0.01 0.416 -0.0169 -1.02 -0.7088 -0.6977 1368895 ChemDiv3_013073 OC(=O)C1CCC(CNCc2c(Cl)cccc2Cl)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C06 compound treatment 0.418 -0.0147 -0.7 0.425 -0.00787 -0.47 -0.8312 -0.9817 3120856 ChemDiv3_013074 Cc1cc(C(=O)NCc2ccc(F)cc2)n(n1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C07 compound treatment 0.439 0.00628 0.3 0.432 -8.71E-4 -0.05 0.1746 0.5745 3037359 ChemDiv3_013075 OC(=O)CNC(=S)N(Cc1ccccc1)Cc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C08 compound treatment 0.431 -0.00172 -0.08 0.427 -0.00587 -0.35 -0.3079 -0.8485 3120857 ChemDiv3_013076 CN(C1CCCCC1)S(=O)(=O)c2ccc3ncc(C(=O)Nc4ccc(C)c(F)c4)c(Cl)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C09 compound treatment 0.427 -0.00572 -0.27 0.428 -0.00487 -0.29 -0.4001 -0.9993 1083208 ChemDiv3_013077 COc1cccc(NC(=S)NN)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C10 compound treatment 0.43 -0.00272 -0.13 0.434 0.00113 0.07 -0.0436 -0.2977 3120858 ChemDiv3_013078 Cc1ccc(cc1)S(=O)(=O)N2CCC(=CC2)C(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C11 compound treatment 0.422 -0.0107 -0.51 0.422 -0.0109 -0.65 -0.8241 -0.9925 3037361 ChemDiv3_013079 CC1CCN(CC1)C(=O)c2cc(Cl)nc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C12 compound treatment 0.456 0.0233 1.11 0.451 0.0181 1.09 1.5566 1.0 3120859 ChemDiv3_013080 CC1CCCCC1NC(=O)c2cc3CSCc3s2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C13 compound treatment 0.428 -0.00472 -0.22 0.425 -0.00787 -0.47 -0.4942 -0.942 3121046 ChemDiv3_013081 CC(=O)N1CCC2(CC1)CC(=O)c3cc(OCC(=O)O)ccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C14 compound treatment 0.412 -0.0207 -0.99 0.416 -0.0169 -1.02 -1.4167 -0.9999 1021554 ChemDiv3_013082 NNC(=O)c1cc2ccccc2[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C15 compound treatment 0.43 -0.00272 -0.13 0.44 0.00713 0.43 0.2119 0.4725 3037364 ChemDiv3_013083 Cc1ccc(Sc2ccc(cc2NC=O)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C16 compound treatment 0.522 0.0893 4.26 0.518 0.0851 5.13 6.6338 0.9957 1543012 ChemDiv3_013084 Cc1cc(C)c(NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCc4ccccc34)c(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C17 compound treatment 0.432 -7.19E-4 -0.03 0.432 -8.71E-4 -0.05 -0.0613 -0.9787 3037402 ChemDiv3_013085 CCCC(=O)Nc1cc(ccc1S(=O)(=O)c2ccc(Cl)cc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C18 compound treatment 0.368 -0.0647 -3.09 0.364 -0.0689 -4.15 -5.1137 -0.9894 1445682 ChemDiv3_013086 CCC(C)NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N(C)c3cc(C)ccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C19 compound treatment 0.491 0.0583 2.78 0.489 0.0561 3.38 4.3542 0.9953 3037404 ChemDiv3_013087 Cc1ccc(/C=C\2/Sc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C20 compound treatment 0.449 0.0163 0.78 0.447 0.0141 0.85 1.1503 0.999 3037406 ChemDiv3_013088 c1ccc2sc3c(sc4ccccc4[nH]c3nc2c1)c5ccncc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C21 compound treatment 0.445 0.0123 0.59 0.447 0.0141 0.85 1.0155 0.9834 3037407 ChemDiv3_013089 CCC1=Nc2cc(ccc2Sc3ccc(Cl)cc13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C22 compound treatment 0.475 0.0423 2.02 0.488 0.0551 3.32 3.7723 0.9714 1280017 ChemDiv3_013090 O=C(CSc1nnc(c2ccccc2)c(n1)c3ccccc3)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C23 mock treatment 0.415 -0.0177 -0.84 0.409 -0.0239 -1.44 -1.6136 -0.9679 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 C24 mock treatment 0.425 -0.00772 -0.37 0.42 -0.0129 -0.77 -0.8082 -0.942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D01 compound treatment 0.446 0.0133 0.63 0.444 0.0111 0.67 0.9215 0.9996 3037409 ChemDiv3_013091 Cc1ccc(cc1)N2C(=O)CC2(C(=O)NC3CCCCC3)c4ccccc4F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D02 compound treatment 0.436 0.00328 0.16 0.435 0.00213 0.13 0.2012 0.9951 3121047 ChemDiv3_013092 Cc1cc(C)n2nc(SCCC(=O)NCc3c(F)cc(F)cc3F)nc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D03 compound treatment 0.437 0.00428 0.2 0.439 0.00613 0.37 0.4053 0.961 3037411 ChemDiv3_013093 Cc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D04 compound treatment 0.429 -0.00372 -0.18 0.437 0.00413 0.25 0.0504 0.1652 3121048 ChemDiv3_013094 Cc1nc2c(cnn2c(O)c1Cc3ccccc3Cl)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D05 compound treatment 0.439 0.00628 0.3 0.453 0.0201 1.21 1.0687 0.8561 3121049 ChemDiv3_013095 O=C(CNC(=S)N(Cc1ccccc1)Cc2cccnc2)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D06 compound treatment 0.499 0.0663 3.16 0.502 0.0691 4.16 5.1773 0.9908 3037414 ChemDiv3_013096 CC(NC(=O)c1cnn2c(cc(nc12)c3cccs3)C(F)(F)F)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D07 compound treatment 0.474 0.0413 1.97 0.468 0.0351 2.12 2.8871 0.9994 3121050 ChemDiv3_013097 Fc1ccc(CN(C2CCCCC2)C(=S)Nc3ccccc3F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D08 compound treatment 0.439 0.00628 0.3 0.44 0.00713 0.43 0.5152 0.9845 3121051 ChemDiv3_013098 CC1CCN(CC1)S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCCN4CCOCC4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D09 compound treatment 0.5 0.0673 3.21 0.485 0.0521 3.14 4.4873 0.9999 1382114 ChemDiv3_013099 COc1ccc(cc1)c2cc(C(=O)NC3CCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D10 compound treatment 0.44 0.00728 0.35 0.438 0.00513 0.31 0.4638 0.9983 3121052 ChemDiv3_013100 CC(C)NC(=O)c1cnn2c(C)c(Cc3c(F)cccc3Cl)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D11 compound treatment 0.483 0.0503 2.4 0.502 0.0691 4.16 4.638 0.9656 3037417 ChemDiv3_013101 O=C(NCCC1=CCCCC1)c2cc(nc3ccccc23)c4ccccn4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D12 compound treatment 0.46 0.0273 1.3 0.462 0.0291 1.75 2.1597 0.9892 3121053 ChemDiv3_013102 CCC(Sc1ncccc1C(=O)O)C(=O)N2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D13 compound treatment 0.447 0.0143 0.68 0.434 0.00113 0.07 0.5295 0.7739 3037419 ChemDiv3_013103 Cc1cc(C)n2nc(SCC(=O)NCc3ccc(Cl)cc3)nc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D14 compound treatment 0.43 -0.00272 -0.13 0.451 0.0181 1.09 0.6802 0.6188 3121054 ChemDiv3_013104 CC(CCc1ccccc1)NC(=O)c2ccccc2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D15 compound treatment 0.437 0.00428 0.2 0.435 0.00213 0.13 0.235 0.9749 3121055 ChemDiv3_013105 COc1ccc(CCNC(=O)c2c(C)cc(=O)oc2C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D16 compound treatment 0.451 0.0183 0.87 0.467 0.0341 2.05 2.0693 0.9271 3037422 ChemDiv3_013106 Cc1ccc(cc1C)c2cc(C(=O)N3CCCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D17 compound treatment 0.443 0.0103 0.49 0.45 0.0171 1.03 1.0758 0.9422 3121056 ChemDiv3_013107 CN(C)CCNC(=O)c1ccc2SCC(=O)N(Cc3ccccc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D18 compound treatment 0.436 0.00328 0.16 0.449 0.0161 0.97 0.7973 0.8106 3121057 ChemDiv3_013108 CC(CCc1ccccc1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D19 compound treatment 0.476 0.0433 2.06 0.465 0.0321 1.93 2.8268 0.9995 3037424 ChemDiv3_013109 O=C(NC1CC1)c2ccc3Sc4ccccc4C(=O)N(Cc5ccccc5)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D20 compound treatment 0.451 0.0183 0.87 0.441 0.00813 0.49 0.9623 0.9628 1240208 ChemDiv3_013110 Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D21 compound treatment 0.432 -7.19E-4 -0.03 0.438 0.00513 0.31 0.1941 0.6248 3037460 ChemDiv3_013111 CC(C)N(C)C1CCN(CC1)C(=O)Nc2ccc(C)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D22 compound treatment 0.432 -7.19E-4 -0.03 0.431 -0.00187 -0.11 -0.1039 -0.8823 3037462 ChemDiv3_013112 O=C(NC1CCCC1)C2CCN(CC2)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D23 mock treatment 0.429 -0.00372 -0.18 0.445 0.0121 0.73 0.391 0.5204 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 D24 mock treatment 0.426 -0.00672 -0.32 0.433 1.29E-4 0.01 -0.221 -0.6898 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E01 compound treatment 0.442 0.00928 0.44 0.44 0.00713 0.43 0.6164 0.9999 1435675 ChemDiv3_013113 CCOC(=O)c1ccc(CNCc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E02 compound treatment 0.519 0.0863 4.11 0.529 0.0961 5.79 7.001 0.986 3037464 ChemDiv3_013114 O=C/1Nc2ccccc2O\C1=C/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E03 compound treatment 0.434 0.00128 0.06 0.437 0.00413 0.25 0.219 0.8554 1503635 ChemDiv3_013115 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)O)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E04 compound treatment 0.434 0.00128 0.06 0.435 0.00213 0.13 0.1338 0.9425 3037466 ChemDiv3_013116 CCn1cc(C2=NC(CO2)c3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E05 compound treatment 0.436 0.00328 0.16 0.449 0.0161 0.97 0.7973 0.8106 3037467 ChemDiv3_013117 OC(=O)CNCc1c(Cl)cccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E06 compound treatment 0.452 0.0193 0.92 0.459 0.0261 1.57 1.7624 0.9672 3037469 ChemDiv3_013118 Cc1nccc2[nH]c(=O)c(cc12)C(=O)NCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E07 compound treatment 0.445 0.0123 0.59 0.442 0.00913 0.55 0.8026 0.9995 3121058 ChemDiv3_013119 CCOC(=O)C1CCC(CNCc2ccc(Cl)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E08 compound treatment 0.462 0.0293 1.4 0.453 0.0201 1.21 1.844 0.9975 3121059 ChemDiv3_013120 COc1ccc(CNC(=O)c2cc3CN(Cc4ccccc4)Cc3s2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E09 compound treatment 0.442 0.00928 0.44 0.446 0.0131 0.79 0.8718 0.9624 3037472 ChemDiv3_013121 CCc1ccc(NC(=S)NN)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E10 compound treatment 0.463 0.0303 1.44 0.459 0.0261 1.57 2.1331 0.9991 3121060 ChemDiv3_013122 Brc1ccc(cc1)C(=O)CN2C(=O)C3(OCCO3)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E11 compound treatment 0.435 0.00228 0.11 0.442 0.00913 0.55 0.4656 0.8309 3037474 ChemDiv3_013123 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E12 compound treatment 0.441 0.00828 0.39 0.444 0.0111 0.67 0.753 0.9682 3121061 ChemDiv3_013124 Clc1ncccc1NC(=O)C2CSC(=N2)c3ccncc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E13 compound treatment 0.458 0.0253 1.21 0.443 0.0101 0.61 1.2834 0.9502 3037476 ChemDiv3_013125 COC(=O)c1cc(nc2ccccc12)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E14 compound treatment 0.448 0.0153 0.73 0.45 0.0171 1.03 1.2444 0.9855 1263724 ChemDiv3_013126 CCOc1ccccc1N(C)C(=O)c2cc(ccc2F)S(=O)(=O)N(CC)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E15 compound treatment 0.44 0.00728 0.35 0.441 0.00813 0.49 0.5915 0.9858 3037477 ChemDiv3_013127 CCOC(=O)COc1ccc2OC(C)(C)CC(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E16 compound treatment 0.446 0.0133 0.63 0.45 0.0171 1.03 1.1769 0.9726 1129134 ChemDiv3_013128 Cc1ccccc1CSCC(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E17 compound treatment 0.421 -0.0117 -0.56 0.431 -0.00187 -0.11 -0.4747 -0.8329 3037480 ChemDiv3_013129 CCOC(=O)Cn1nc(ccc1=O)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E18 compound treatment 0.46 0.0273 1.3 0.454 0.0211 1.27 1.8191 0.9999 1343782 ChemDiv3_013130 CC(C)CCNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N(C)c3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E19 compound treatment 0.525 0.0923 4.4 0.528 0.0951 5.73 7.1607 0.9915 3037482 ChemDiv3_013131 Clc1cccc(/C=C/2\Sc3ccccc3NC2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E20 compound treatment 0.475 0.0423 2.02 0.476 0.0431 2.6 3.2614 0.9922 3121062 ChemDiv3_013132 CCOC(=O)c1sc2ccc(cc2c1N)S(=O)(=O)N3CC(C)CC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E21 compound treatment 0.564 0.131 6.26 0.549 0.116 6.99 9.3693 0.9985 3121063 ChemDiv3_013133 Cc1c(Cl)cccc1NC(=S)NCC(c2c[nH]c3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E22 compound treatment 0.438 0.00528 0.25 0.441 0.00813 0.49 0.5241 0.9522 3037484 ChemDiv3_013134 COc1ccccc1N2CCN(CC2)C(=O)c3cnn4c(C)c(Cc5cccc(C)c5)c(C)nc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E23 mock treatment 0.431 -0.00172 -0.08 0.428 -0.00487 -0.29 -0.2653 -0.8713 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 E24 mock treatment 0.435 0.00228 0.11 0.441 0.00813 0.49 0.423 0.8436 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F01 compound treatment 0.45 0.0173 0.82 0.452 0.0191 1.15 1.3969 0.9865 3121064 ChemDiv3_013135 Cc1ccc(cc1)N2C(=O)CC2(C(=O)NC3CCCCC3)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F02 compound treatment 0.438 0.00528 0.25 0.439 0.00613 0.37 0.439 0.9826 3037485 ChemDiv3_013136 CC(Sc1nc2nc(C)cc(C)n2n1)C(=O)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F03 compound treatment 0.444 0.0113 0.54 0.453 0.0201 1.21 1.2373 0.9331 3121065 ChemDiv3_013137 CCOC(=O)N1CCN(CC1)C(=O)CNC(=S)N(Cc2cccs2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F04 compound treatment 0.457 0.0243 1.16 0.479 0.0461 2.78 2.7824 0.9247 3121066 ChemDiv3_013138 Fc1cc(F)c(CNC(=O)c2ccc3SCC(=O)Nc3c2)c(F)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F05 compound treatment 0.497 0.0643 3.06 0.492 0.0591 3.56 4.6842 0.9972 3037533 ChemDiv3_013139 CC(C)CCNC(=O)c1cnn2c(O)c(Cl)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F06 compound treatment 0.453 0.0203 0.97 0.459 0.0261 1.57 1.7961 0.9727 3037534 ChemDiv3_013140 FC(F)(F)c1cc(nc2c(cnn12)C(=O)N3CCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F07 compound treatment 0.458 0.0253 1.21 0.454 0.0211 1.27 1.7517 0.9996 3037536 ChemDiv3_013141 CC1(OC23CN(Cc4ccccc4)C(=O)C3C1C(=O)NCc5ccco5)C=C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F08 compound treatment 0.577 0.144 6.88 0.556 0.123 7.41 10.1056 0.9993 3037537 ChemDiv3_013142 CCOc1ccc(cc1)c2cc(C(=O)NCC3COc4ccccc4O3)c5ccccc5n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F09 compound treatment 0.547 0.114 5.45 0.553 0.12 7.23 8.9666 0.9902 3037538 ChemDiv3_013143 COc1ccc(cc1)c2cc(C(=O)NC3CCCCC3C)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F10 compound treatment 0.457 0.0243 1.16 0.451 0.0181 1.09 1.5903 0.9996 3037540 ChemDiv3_013144 Cc1c(oc2ccc(cc12)S(=O)(=O)NCc3ccc(C)cc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F11 compound treatment 0.519 0.0863 4.11 0.511 0.0781 4.7 6.2347 0.9978 3121067 ChemDiv3_013145 CC(C)CCNC(=O)c1cc(nc2ccccc12)c3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F12 compound treatment 0.446 0.0133 0.63 0.445 0.0121 0.73 0.9641 0.9975 3121068 ChemDiv3_013146 CCN(CC)S(=O)(=O)N1CCCC(C1)C(=O)NCc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F13 compound treatment 0.528 0.0953 4.54 0.514 0.0811 4.88 6.6658 0.9993 3037542 ChemDiv3_013147 CCOC(=O)c1ccc(N2CCN(CC2)c3ccccc3F)c(NC(=O)Nc4ccc(CC)cc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F14 compound treatment 0.442 0.00928 0.44 0.453 0.0201 1.21 1.1698 0.9067 3121255 ChemDiv3_013148 Cc1ccc(CNC(=O)c2ccccc2C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F15 compound treatment 0.448 0.0153 0.73 0.452 0.0191 1.15 1.3295 0.9756 3121256 ChemDiv3_013149 CN(CCNC(=O)c1c(C)cc(=O)oc1C)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F16 compound treatment 0.484 0.0513 2.44 0.488 0.0551 3.32 4.0757 0.9887 3037545 ChemDiv3_013150 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCCC3)C(=O)Nc4ccccc4Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F17 compound treatment 0.456 0.0233 1.11 0.46 0.0271 1.63 1.9398 0.9823 3121257 ChemDiv3_013151 C=CCNC(=O)c1ccc2SCC(=O)N(Cc3ccccc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F18 compound treatment 0.448 0.0153 0.73 0.46 0.0271 1.63 1.6701 0.9338 3121258 ChemDiv3_013152 CC1CCCN(C1)S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCCN4CCCCC4C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F19 compound treatment 0.595 0.162 7.74 0.545 0.112 6.75 10.244 0.9977 3037547 ChemDiv3_013153 O=C(NCc1cccs1)c2ccc3Sc4ccccc4C(=O)N(Cc5ccccc5)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F20 compound treatment 0.561 0.128 6.12 0.535 0.102 6.15 8.6722 1.0 3121259 ChemDiv3_013154 CN(C1CCCCC1)S(=O)(=O)c2ccc3oc(C(=O)Nc4ccc(C)c(C)c4)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F21 compound treatment 0.447 0.0143 0.68 0.447 0.0141 0.85 1.0829 0.9939 3037548 ChemDiv3_013155 CCc1ccc(NC(=O)N2CCC(CC2)N(C)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F22 compound treatment 0.437 0.00428 0.2 0.442 0.00913 0.55 0.533 0.909 3121260 ChemDiv3_013156 CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F23 mock treatment 0.442 0.00928 0.44 0.443 0.0101 0.61 0.7441 0.9876 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 F24 mock treatment 0.439 0.00628 0.3 0.443 0.0101 0.61 0.643 0.9464 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G01 compound treatment 0.441 0.00828 0.39 0.429 -0.00387 -0.23 0.1143 0.2494 1461588 ChemDiv3_013157 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G02 compound treatment 0.435 0.00228 0.11 0.438 0.00513 0.31 0.2953 0.9018 3121261 ChemDiv3_013158 COc1ccc(/C=C/C(=O)NCCCN2CCCCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G03 compound treatment 0.425 -0.00772 -0.37 0.432 -8.71E-4 -0.05 -0.2973 -0.7998 1394364 ChemDiv3_013159 Cc1nc2cc(ccc2n1c3cccc(C)c3)C(=O)NCCN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G04 compound treatment 0.549 0.116 5.54 0.548 0.115 6.93 8.8212 0.9939 3037552 ChemDiv3_013160 COC(=O)c1ccc2S/C(=C\c3ccccc3OC)/C(=O)N(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G05 compound treatment 0.432 -7.19E-4 -0.03 0.443 0.0101 0.61 0.407 0.6663 3121262 ChemDiv3_013161 OC(=O)CCNCc1c(Cl)cccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G06 compound treatment 0.44 0.00728 0.35 0.45 0.0171 1.03 0.9747 0.8957 3037554 ChemDiv3_013162 Cc1ccc(CSCC2COC(=N2)c3cccs3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G07 compound treatment 0.531 0.0983 4.69 0.524 0.0911 5.49 7.1926 0.9969 3121263 ChemDiv3_013163 CCOC(=O)c1ccc(CN(Cc2ccccc2C)S(=O)(=O)c3ccc4OCCOc4c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G08 compound treatment 0.457 0.0243 1.16 0.446 0.0131 0.79 1.3774 0.9827 3121264 ChemDiv3_013164 COc1cccc(NC(=S)N2CCC3(CC2)CC(=O)c4ccccc4O3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G09 compound treatment 0.432 -7.19E-4 -0.03 0.436 0.00313 0.19 0.109 0.5692 1463646 ChemDiv3_013165 Cc1cccc(NC(=S)NN)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G10 compound treatment 0.453 0.0203 0.97 0.46 0.0271 1.63 1.8386 0.9687 3037556 ChemDiv3_013166 O=C(Cn1c2CCCCc2c(cc1=O)c3ccccc3)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G11 compound treatment 0.434 0.00128 0.06 0.431 -0.00187 -0.11 -0.0365 -0.2846 3121265 ChemDiv3_013167 CCOC(=O)CN1C(=O)C2(OCCCO2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G12 compound treatment 0.446 0.0133 0.63 0.451 0.0181 1.09 1.2195 0.9664 3121266 ChemDiv3_013168 CC1N(Cc2ccccc2)C(=O)C(CC(=O)Nc3c(C)cccc3C)n4c1nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G13 compound treatment 0.485 0.0523 2.49 0.476 0.0431 2.6 3.5985 0.9998 3037613 ChemDiv3_013169 COC(=O)c1ccc(N2CCC(C)CC2)c(N)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G14 compound treatment 0.416 -0.0167 -0.8 0.425 -0.00787 -0.47 -0.8987 -0.9692 1190011 ChemDiv3_013170 CCc1ccc(cc1)N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G15 compound treatment 0.435 0.00228 0.11 0.435 0.00213 0.13 0.1675 0.9967 3037614 ChemDiv3_013171 CN(C(=O)/C=C/C(=O)O)c1cccc(C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G16 compound treatment 0.445 0.0123 0.59 0.454 0.0211 1.27 1.3135 0.938 3037616 ChemDiv3_013172 Clc1ccccc1CSCCC(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G17 compound treatment 0.447 0.0143 0.68 0.441 0.00813 0.49 0.8275 0.9869 3037617 ChemDiv3_013173 Clc1ccccc1Cn2cccc2C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G18 compound treatment 0.452 0.0193 0.92 0.456 0.0231 1.39 1.6346 0.9797 1592294 ChemDiv3_013174 Brc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G19 compound treatment 0.492 0.0593 2.83 0.477 0.0441 2.66 3.877 0.9995 3037619 ChemDiv3_013175 COc1ccc(/C=C/2\Sc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G20 compound treatment 0.436 0.00328 0.16 0.451 0.0181 1.09 0.8824 0.8003 1161949 ChemDiv3_013176 CCOC(=O)c1sc2ccc(cc2c1N)S(=O)(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G21 compound treatment 0.529 0.0963 4.59 0.515 0.0821 4.94 6.742 0.9993 3037622 ChemDiv3_013177 CCn1cc(CN(Cc2ccccc2)C(=S)Nc3ccc(Cl)cc3OC)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G22 compound treatment 0.483 0.0503 2.4 0.469 0.0361 2.18 3.233 0.9988 3121267 ChemDiv3_013178 CC1CN(CCN1c2ccc(C)cc2)C(=O)c3cnn4c(C)c(Cc5ccccc5Cl)c(C)nc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G23 mock treatment 0.424 -0.00872 -0.42 0.429 -0.00387 -0.23 -0.4587 -0.9626 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 G24 mock treatment 0.426 -0.00672 -0.32 0.432 -8.71E-4 -0.05 -0.2636 -0.8121 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H01 compound treatment 0.495 0.0623 2.97 0.505 0.0721 4.34 5.1702 0.9828 3121268 ChemDiv3_013179 CC1CCCC(NC(=O)CNC(=S)N(Cc2cccs2)Cc3ccccc3)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H02 compound treatment 0.428 -0.00472 -0.22 0.433 1.29E-4 0.01 -0.1536 -0.6823 3037624 ChemDiv3_013180 CC(Sc1nc2nc(C)cc(C)n2n1)C(=O)NCc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H03 compound treatment 0.443 0.0103 0.49 0.439 0.00613 0.37 0.6075 0.9902 3121269 ChemDiv3_013181 CC1CCCC(NC(=O)c2cnn3c(C)c4CCCCc4nc23)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H04 compound treatment 0.433 2.81E-4 0.01 0.437 0.00413 0.25 0.1853 0.7442 3037626 ChemDiv3_013182 O=C(NCC1COc2ccccc2O1)c3ccc4SCC(=O)Nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H05 compound treatment 0.487 0.0543 2.59 0.486 0.0531 3.2 4.0916 0.9945 3121270 ChemDiv3_013183 Cc1nc2c(cnn2c(O)c1Cl)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H06 compound treatment 0.443 0.0103 0.49 0.466 0.0331 1.99 1.757 0.8554 3121271 ChemDiv3_013184 CCC(C)NC(=O)c1cnn2c(cc(nc12)c3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H07 compound treatment 0.438 0.00528 0.25 0.456 0.0231 1.39 1.1627 0.8216 3037629 ChemDiv3_013185 O=C(NCc1ccccc1)C2C3OC4(CN(Cc5cccnc5)C(=O)C24)C=C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H08 compound treatment 0.436 0.00328 0.16 0.432 -8.71E-4 -0.05 0.0735 0.4457 3121272 ChemDiv3_013186 CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCCC3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H09 compound treatment 0.522 0.0893 4.26 0.512 0.0791 4.76 6.3784 0.9984 1381923 ChemDiv3_013187 COc1ccc(cc1)c2cc(C(=O)NCCc3ccccc3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H10 compound treatment 0.441 0.00828 0.39 0.452 0.0191 1.15 1.0936 0.8982 3037631 ChemDiv3_013188 Cc1c(oc2ccc(cc12)S(=O)(=O)NCCc3ccccc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H11 compound treatment 0.439 0.00628 0.3 0.44 0.00713 0.43 0.5152 0.9845 3121273 ChemDiv3_013189 COc1cc(CN(C2CCCC2)C(=S)NCC(=O)N3CCCC3)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H12 compound treatment 0.471 0.0383 1.82 0.473 0.0401 2.42 2.9989 0.9904 3037633 ChemDiv3_013190 Cc1ccc(CNC(=O)c2cccnc2SCC=C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H13 compound treatment 0.488 0.0553 2.64 0.47 0.0371 2.24 3.4442 0.9966 3121274 ChemDiv3_013191 COC(=O)c1cnn2c(NC3CCCCC3)c([nH]c12)c4ccc(C)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H14 compound treatment 0.432 -7.19E-4 -0.03 0.437 0.00413 0.25 0.1516 0.6039 3121275 ChemDiv3_013192 CC(NC(=O)c1ccccc1C(=O)O)C2(CC3CC4CC(C3)C2)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H15 compound treatment 0.427 -0.00572 -0.27 0.438 0.00513 0.31 0.0256 0.0622 3037636 ChemDiv3_013193 Cc1ccc(CN2C(=O)c3ccccc3Sc4ccc(cc24)C(=O)NCCN5CCOCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H16 compound treatment 0.52 0.0873 4.16 0.505 0.0721 4.34 6.0129 0.9998 3121276 ChemDiv3_013194 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCCC3)C(=O)Nc4ccc(C)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H17 compound treatment 0.519 0.0863 4.11 0.513 0.0801 4.82 6.3198 0.9968 3037696 ChemDiv3_013195 O=C(NCc1cccs1)c2ccc3SCC(=O)N(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H18 compound treatment 0.431 -0.00172 -0.08 0.445 0.0121 0.73 0.4585 0.6239 3037698 ChemDiv3_013196 CC(CCc1ccccc1)NC(=O)c2cc(=O)[nH]c3ccc(cc23)S(=O)(=O)N4CCCC(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H19 compound treatment 0.534 0.101 4.83 0.536 0.103 6.21 7.8046 0.9923 3037699 ChemDiv3_013197 CCCNC(=O)c1ccc2Sc3ccccc3C(=O)N(Cc4ccccc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H20 compound treatment 0.515 0.0823 3.92 0.493 0.0601 3.62 5.3335 0.9992 3037700 ChemDiv3_013198 CC(C)CCNC(=O)c1sc2ccc(cc2c1N)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H21 compound treatment 0.43 -0.00272 -0.13 0.43 -0.00287 -0.17 -0.2139 -0.9899 3037702 ChemDiv3_013199 O=C(CN1C(=O)C2(OCCCO2)c3ccccc13)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H22 compound treatment 0.459 0.0263 1.25 0.464 0.0311 1.87 2.2112 0.9808 3037704 ChemDiv3_013200 CCOc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H23 mock treatment 0.433 2.81E-4 0.01 0.436 0.00313 0.19 0.1427 0.7555 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 H24 mock treatment 0.433 2.81E-4 0.01 0.43 -0.00287 -0.17 -0.1128 -0.6503 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I01 compound treatment 0.438 0.00528 0.25 0.438 0.00513 0.31 0.3964 0.9949 1456749 ChemDiv3_013201 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I02 compound treatment 0.451 0.0183 0.87 0.456 0.0231 1.39 1.6009 0.9745 3037706 ChemDiv3_013202 COC(=O)/C=C/c1ccc(SC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I03 compound treatment 0.445 0.0123 0.59 0.444 0.0111 0.67 0.8878 0.9977 1701477 ChemDiv3_013203 Cc1nc2cc(ccc2n1c3cccc(C)c3)C(=O)NCc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I04 compound treatment 0.435 0.00228 0.11 0.438 0.00513 0.31 0.2953 0.9018 3037708 ChemDiv3_013204 COc1cccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I05 compound treatment 0.467 0.0343 1.63 0.48 0.0471 2.84 3.162 0.9656 1437371 ChemDiv3_013205 CCOC(=O)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c3ccc(F)c(C)c3)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I06 compound treatment 0.501 0.0683 3.25 0.517 0.0841 5.07 5.8834 0.9771 3121452 ChemDiv3_013206 CN1C(=O)/C(=C/c2ccccc2Cl)/Sc3ccc(cc13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I07 compound treatment 0.435 0.00228 0.11 0.454 0.0211 1.27 0.9765 0.7648 3037711 ChemDiv3_013207 OC(=O)c1ccc(CNCc2ccc(Cl)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I08 compound treatment 0.511 0.0783 3.73 0.504 0.0711 4.28 5.667 0.9976 3121453 ChemDiv3_013208 Clc1cccc(NC(=S)NC2CCSc3ccc(Cl)cc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I09 compound treatment 0.472 0.0393 1.87 0.463 0.0301 1.81 2.6068 0.9999 3037712 ChemDiv3_013209 CCc1ccc(cc1)N2C(=O)CN(Cc3ccccc3)C2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I10 compound treatment 0.508 0.0753 3.59 0.502 0.0691 4.16 5.4807 0.9973 3121454 ChemDiv3_013210 CCOc1ccc(/N=C/c2c([nH]c3ccccc23)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I11 compound treatment 0.437 0.00428 0.2 0.44 0.00713 0.43 0.4478 0.9422 3037714 ChemDiv3_013211 COc1ccc(cc1)C2OCC(CO)(CO)CO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I12 compound treatment 0.446 0.0133 0.63 0.453 0.0201 1.21 1.3047 0.9541 3121455 ChemDiv3_013212 COc1ccc(cc1)C2OC(=O)CC2C(=O)NC(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I13 compound treatment 0.443 0.0103 0.49 0.44 0.00713 0.43 0.6501 0.9978 3037715 ChemDiv3_013213 COC(=O)c1cnn2c(O)c(Cc3ccc(F)cc3Cl)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I14 compound treatment 0.457 0.0243 1.16 0.46 0.0271 1.63 1.9735 0.9858 1632180 ChemDiv3_013214 CCc1ccc2nc(sc2c1)N3CCC(CC3)C(=O)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I15 compound treatment 0.439 0.00628 0.3 0.455 0.0221 1.33 1.1539 0.8449 3037717 ChemDiv3_013215 CCC1Sc2ccccc2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I16 compound treatment 0.43 -0.00272 -0.13 0.435 0.00213 0.13 -0.001 -0.0055 3121456 ChemDiv3_013216 Clc1ccccc1CNC(=O)CCSCc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I17 compound treatment 0.463 0.0303 1.44 0.447 0.0141 0.85 1.6222 0.9682 3037719 ChemDiv3_013217 Clc1ccc(CN2C(=O)CSc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I18 compound treatment 0.454 0.0213 1.01 0.444 0.0111 0.67 1.1912 0.9797 1482900 ChemDiv3_013218 Brc1ccc(cc1)S(=O)(=O)NC(CC(=O)NC2CC2)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I19 compound treatment 0.517 0.0843 4.02 0.517 0.0841 5.07 6.4227 0.9934 3121457 ChemDiv3_013219 CCc1ccc(/C=C/2\Sc3ccccc3N(CC(=O)O)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I20 compound treatment 0.532 0.0993 4.73 0.449 0.0161 0.97 4.0332 0.8348 3037722 ChemDiv3_013220 COC(=O)c1ccc(Sc2ccc(Cl)cc2)c(N)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I21 compound treatment 0.569 0.136 6.5 0.548 0.115 6.93 9.4953 0.9995 3121458 ChemDiv3_013221 COc1ccc(NC(=S)NCC(c2c[nH]c3ccccc23)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I22 compound treatment 0.433 2.81E-4 0.01 0.436 0.00313 0.19 0.1427 0.7555 3037723 ChemDiv3_013222 COC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I23 mock treatment 0.431 -0.00172 -0.08 0.432 -8.71E-4 -0.05 -0.095 -0.9768 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 I24 mock treatment 0.446 0.0133 0.63 0.432 -8.71E-4 -0.05 0.4106 0.6463 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J01 compound treatment 0.447 0.0143 0.68 0.464 0.0311 1.87 1.8067 0.906 3037776 ChemDiv3_013223 O=C(CNC(=S)N(Cc1cccs1)Cc2ccccc2)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J02 compound treatment 0.489 0.0563 2.68 0.495 0.0621 3.74 4.5422 0.9867 3037778 ChemDiv3_013224 Clc1ccc(Cn2c(=O)cc(C(=O)NCc3cccs3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J03 compound treatment 0.479 0.0463 2.21 0.475 0.0421 2.54 3.3537 0.9976 3037779 ChemDiv3_013225 CC(C)CCNC(=O)c1cnn2c(cc(nc12)c3ccco3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J04 compound treatment 0.435 0.00228 0.11 0.436 0.00313 0.19 0.2101 0.9659 3037780 ChemDiv3_013226 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)c3ccc4SCC(=O)Nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J05 compound treatment 0.494 0.0613 2.92 0.493 0.0601 3.62 4.6256 0.9943 3037782 ChemDiv3_013227 Cc1nc2c(cnn2c(O)c1Cl)C(=O)NCCc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J06 compound treatment 0.431 -0.00172 -0.08 0.445 0.0121 0.73 0.4585 0.6239 3037784 ChemDiv3_013228 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCCN3CCCCCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J07 compound treatment 0.526 0.0933 4.45 0.54 0.107 6.45 7.7053 0.9835 1463194 ChemDiv3_013229 O=C(NC1CCCCC1)c2cc(nc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J08 compound treatment 0.439 0.00628 0.3 0.431 -0.00187 -0.11 0.1321 0.4128 3121459 ChemDiv3_013230 Cc1nc2c(cnn2c(C)c1Cc3ccccc3Cl)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J09 compound treatment 0.492 0.0593 2.83 0.49 0.0571 3.44 4.4305 0.9952 3037787 ChemDiv3_013231 COc1ccc(cc1)c2cc(C(=O)NCc3cccc(OC)c3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J10 compound treatment 0.436 0.00328 0.16 0.438 0.00513 0.31 0.329 0.9503 3121460 ChemDiv3_013232 CC(C)CCNS(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J11 compound treatment 0.439 0.00628 0.3 0.441 0.00813 0.49 0.5578 0.9722 3037790 ChemDiv3_013233 Fc1ccccc1CN(Cc2ccccc2)C(=S)NCC(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J12 compound treatment 0.429 -0.00372 -0.18 0.436 0.00313 0.19 0.0079 0.0304 3121461 ChemDiv3_013234 CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J13 compound treatment 0.462 0.0293 1.4 0.476 0.0431 2.6 2.8232 0.9576 3121462 ChemDiv3_013235 COC(=O)c1cnn2c(NC3CCCCC3)c([nH]c12)c4cccc(Br)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J14 compound treatment 0.428 -0.00472 -0.22 0.433 1.29E-4 0.01 -0.1536 -0.6823 3037793 ChemDiv3_013236 CC1CCC(CC1)NC(=O)c2ccccc2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J15 compound treatment 0.439 0.00628 0.3 0.443 0.0101 0.61 0.643 0.9464 3037794 ChemDiv3_013237 CCCNC(=O)c1c(C)cc(=O)oc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J16 compound treatment 0.435 0.00228 0.11 0.438 0.00513 0.31 0.2953 0.9018 3121463 ChemDiv3_013238 CCC(Sc1ncccc1C(=O)OC(C)C)C(=O)NCc2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J17 compound treatment 0.45 0.0173 0.82 0.448 0.0151 0.91 1.2266 0.9987 3121464 ChemDiv3_013239 O=C(NC1CCCC1)c2ccc3SCC(=O)N(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J18 compound treatment 0.437 0.00428 0.2 0.441 0.00813 0.49 0.4904 0.9248 3037796 ChemDiv3_013240 CCOC(=O)c1cccnc1SC(CC)C(=O)N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J19 compound treatment 0.441 0.00828 0.39 0.439 0.00613 0.37 0.5401 0.9994 3121465 ChemDiv3_013241 CCN1C(=O)CSc2ccc(cc12)C(=O)NCCc3ccc(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J20 compound treatment 0.44 0.00728 0.35 0.442 0.00913 0.55 0.6341 0.9754 3121466 ChemDiv3_013242 Nc1c(sc2ccc(cc12)S(=O)(=O)N3CCCCC3)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J21 compound treatment 0.433 2.81E-4 0.01 0.441 0.00813 0.49 0.3556 0.7262 3037799 ChemDiv3_013243 CCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J22 compound treatment 0.439 0.00628 0.3 0.441 0.00813 0.49 0.5578 0.9722 3121467 ChemDiv3_013244 CCc1ccccc1NC(=S)N(Cc2cccc(C)c2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J23 mock treatment 0.431 -0.00172 -0.08 0.426 -0.00687 -0.41 -0.3505 -0.831 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 J24 mock treatment 0.435 0.00228 0.11 0.426 -0.00687 -0.41 -0.2156 -0.5041 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K01 compound treatment 0.443 0.0103 0.49 0.443 0.0101 0.61 0.7778 0.9941 1654888 ChemDiv3_013245 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K02 compound treatment 0.498 0.0653 3.11 0.489 0.0561 3.38 4.5902 0.9992 3121468 ChemDiv3_013246 COC(=O)c1ccc(/C=C\2/Oc3ccccc3N(Cc4ccccc4F)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K03 compound treatment 0.436 0.00328 0.16 0.442 0.00913 0.55 0.4993 0.8736 1583889 ChemDiv3_013247 CCN(CC)c1ccc(CNC(CC(=O)O)c2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K04 compound treatment 0.448 0.0153 0.73 0.463 0.0301 1.81 1.7978 0.9197 3036708 ChemDiv3_013248 Fc1cccc(CN2C(=O)CS(=O)c3ccc(cc23)C(=O)NCc4ccc(Cl)cc4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K05 compound treatment 0.448 0.0153 0.73 0.466 0.0331 1.99 1.9256 0.9068 3036709 ChemDiv3_013249 COC(=O)c1ccc2Sc3ccc(C)cc3C(=Nc2c1)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K06 compound treatment 0.444 0.0113 0.54 0.458 0.0251 1.51 1.4501 0.9031 3036711 ChemDiv3_013250 C/C(=N\N)/c1c(C)cc(C)[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K07 compound treatment 0.425 -0.00772 -0.37 0.447 0.0141 0.85 0.3414 0.3683 3036713 ChemDiv3_013251 O=S1(=O)CC2(CCCCCCC21)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K08 compound treatment 0.475 0.0423 2.02 0.487 0.0541 3.26 3.7297 0.9733 3036714 ChemDiv3_013252 OC(=O)c1ccc2SCCN(Cc3ccc(Cl)cc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K09 compound treatment 0.429 -0.00372 -0.18 0.442 0.00913 0.55 0.2633 0.4559 3036716 ChemDiv3_013253 COc1cc(CN(C2CCCC2)C(=S)NCC(=O)O)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K10 compound treatment 0.451 0.0183 0.87 0.458 0.0251 1.51 1.6861 0.9657 3036718 ChemDiv3_013254 OC(=O)c1[nH]c2ccccc2c1/C=N/Cc3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K11 compound treatment 0.435 0.00228 0.11 0.445 0.0121 0.73 0.5933 0.8035 3036719 ChemDiv3_013255 COC(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K12 compound treatment 0.48 0.0473 2.25 0.49 0.0571 3.44 4.026 0.979 3121469 ChemDiv3_013256 CC1CCC(CC1)NC(=O)C2N(C(=O)c3c(C)n(C)c(C)c23)c4ccc(Br)c(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K13 compound treatment 0.43 -0.00272 -0.13 0.446 0.0131 0.79 0.4673 0.5834 3036721 ChemDiv3_013257 CC(C)(C)c1ccc2OCC(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K14 compound treatment 0.503 0.0703 3.35 0.488 0.0551 3.32 4.7161 1.0 1188609 ChemDiv3_013258 CCc1ccc2nc(sc2c1)N3CCC(CC3)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K15 compound treatment 0.435 0.00228 0.11 0.437 0.00413 0.25 0.2527 0.9312 3036724 ChemDiv3_013259 CCOC(=O)CN1N=C(CCC1=O)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K16 compound treatment 0.484 0.0513 2.44 0.495 0.0621 3.74 4.3737 0.9787 1398475 ChemDiv3_013260 O=C(NC1CCCCCC1)c2ccc3SCC(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K17 compound treatment 0.45 0.0173 0.82 0.453 0.0201 1.21 1.4395 0.9823 3121470 ChemDiv3_013261 Clc1ccccc1CN2C(=O)COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K18 compound treatment 0.457 0.0243 1.16 0.457 0.0241 1.45 1.8458 0.9937 3036726 ChemDiv3_013262 CC(=C(C#N)C#N)Nc1cc(C)ccn1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K19 compound treatment 0.437 0.00428 0.2 0.433 1.29E-4 0.01 0.1498 0.7335 3121471 ChemDiv3_013263 O=C(NCc1ccc2OCOc2c1)c3ccc(cc3)N4CCCC4=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K20 compound treatment 0.45 0.0173 0.82 0.467 0.0341 2.05 2.0355 0.9194 3121472 ChemDiv3_013264 O=C(CSc1ncnc2c3ccccc3sc12)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K21 compound treatment 0.455 0.0223 1.06 0.458 0.0251 1.51 1.8209 0.985 3036728 ChemDiv3_013265 COc1ccc2OC(C)(C)CC(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K22 compound treatment 0.448 0.0153 0.73 0.442 0.00913 0.55 0.9038 0.9904 1036234 ChemDiv3_013266 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K23 mock treatment 0.43 -0.00272 -0.13 0.431 -0.00187 -0.11 -0.1713 -0.9976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 K24 mock treatment 0.439 0.00628 0.3 0.442 0.00913 0.55 0.6004 0.9592 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L01 compound treatment 0.451 0.0183 0.87 0.468 0.0351 2.12 2.1118 0.9232 3121647 ChemDiv3_013267 CC1CCCCC1NC(=O)c2cnn3c(cc(nc23)c4ccccc4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L02 compound treatment 0.454 0.0213 1.01 0.464 0.0311 1.87 2.0427 0.9584 3036731 ChemDiv3_013268 CCCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L03 compound treatment 0.524 0.0913 4.35 0.513 0.0801 4.82 6.4883 0.9987 3121648 ChemDiv3_013269 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NCc3ccccc3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L04 compound treatment 0.441 0.00828 0.39 0.442 0.00913 0.55 0.6678 0.9868 3036733 ChemDiv3_013270 O=C(NCCCN1CCCCC1)c2ccc3SCC(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L05 compound treatment 0.495 0.0623 2.97 0.51 0.0771 4.64 5.3831 0.9766 3121649 ChemDiv3_013271 Cc1ccc(CNC(=O)c2cnn3c(O)cc(CSc4ccc(Cl)cc4)nc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L06 compound treatment 0.439 0.00628 0.3 0.453 0.0201 1.21 1.0687 0.8561 3036792 ChemDiv3_013272 O=C(NCc1ccccn1)c2cc(nc3ccccc23)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L07 compound treatment 0.529 0.0963 4.59 0.532 0.0991 5.97 7.4658 0.9916 3036794 ChemDiv3_013273 O=C(NCc1cccs1)c2cc(nc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L08 compound treatment 0.434 0.00128 0.06 0.432 -8.71E-4 -0.05 0.0061 0.0759 3036795 ChemDiv3_013274 Cc1ccccc1Cc2c(C)nc3c(cnn3c2C)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L09 compound treatment 0.506 0.0733 3.49 0.506 0.0731 4.4 5.5836 0.9934 3036796 ChemDiv3_013275 CC1CCCC(NC(=O)CNC(=S)N(Cc2ccc(F)cc2)C3CCCCC3)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L10 compound treatment 0.44 0.00728 0.35 0.451 0.0181 1.09 1.0173 0.8881 3036798 ChemDiv3_013276 CC1CCCCC1NS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L11 compound treatment 0.448 0.0153 0.73 0.455 0.0221 1.33 1.4572 0.9596 3036799 ChemDiv3_013277 Cc1ccc(CN2C(=O)CSc3ccc(cc23)C(=O)NCC4CCCO4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L12 compound treatment 0.433 2.81E-4 0.01 0.437 0.00413 0.25 0.1853 0.7442 3121650 ChemDiv3_013278 O=C(NCc1ccccc1)C2CCN(CC2)S(=O)(=O)N3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L13 compound treatment 0.44 0.00728 0.35 0.459 0.0261 1.57 1.3579 0.8428 3121651 ChemDiv3_013279 Fc1ccc(Sc2cc(C(=O)NCCCN3CCCCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L14 compound treatment 0.433 2.81E-4 0.01 0.439 0.00613 0.37 0.2704 0.7323 1537317 ChemDiv3_013280 OC(=O)c1ccccc1C(=O)NCCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L15 compound treatment 0.442 0.00928 0.44 0.444 0.0111 0.67 0.7867 0.9797 3036801 ChemDiv3_013281 Cc1nc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2c(C)c1Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L16 compound treatment 0.483 0.0503 2.4 0.481 0.0481 2.9 3.7439 0.9956 3121652 ChemDiv3_013282 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(Cl)c3)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L17 compound treatment 0.505 0.0723 3.45 0.519 0.0861 5.19 6.1034 0.9803 3036803 ChemDiv3_013283 O=C(NCCc1ccccc1)c2ccc3SCC(=O)N(Cc4ccccc4)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L18 compound treatment 0.44 0.00728 0.35 0.438 0.00513 0.31 0.4638 0.9983 3121653 ChemDiv3_013284 CCOC(=O)c1cccnc1SCC(=O)NC(C)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L19 compound treatment 0.454 0.0213 1.01 0.457 0.0241 1.45 1.7446 0.9846 3121654 ChemDiv3_013285 CCCNC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L20 compound treatment 0.497 0.0643 3.06 0.5 0.0671 4.04 5.0248 0.9907 3036805 ChemDiv3_013286 Cc1cccc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccn3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L21 compound treatment 0.438 0.00528 0.25 0.448 0.0151 0.91 0.8221 0.8699 1251283 ChemDiv3_013287 CC1CCN(CN2C(=O)C3(OCCCO3)c4ccccc24)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L22 compound treatment 0.522 0.0893 4.26 0.525 0.0921 5.55 6.9318 0.9914 3121655 ChemDiv3_013288 CC(=O)Nc1cc(ccc1Sc2ccc(F)cc2)C(=O)N3CCN(CC3)c4cc(Cl)ccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L23 mock treatment 0.445 0.0123 0.59 0.45 0.0171 1.03 1.1432 0.964 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 L24 mock treatment 0.435 0.00228 0.11 0.433 1.29E-4 0.01 0.0824 0.7557 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M01 compound treatment 0.488 0.0553 2.64 0.512 0.0791 4.76 5.2323 0.961 1449683 ChemDiv3_013289 CCc1ccc(cc1)n2cnc3cc(ccc23)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M02 compound treatment 0.427 -0.00572 -0.27 0.427 -0.00587 -0.35 -0.4427 -0.9918 3121656 ChemDiv3_013290 COC(=O)c1cc2CN(Cc2s1)C3CCCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M03 compound treatment 0.435 0.00228 0.11 0.459 0.0261 1.57 1.1893 0.7542 1440916 ChemDiv3_013291 OC(=O)c1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M04 compound treatment 0.514 0.0813 3.87 0.519 0.0861 5.19 6.4067 0.9897 3121657 ChemDiv3_013292 Clc1ccc(CNC(=O)Cn2c3CCCCc3c(cc2=O)c4ccccc4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M05 compound treatment 0.44 0.00728 0.35 0.447 0.0141 0.85 0.847 0.9218 3036809 ChemDiv3_013293 OC(=O)CCNCc1cccs1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M06 compound treatment 0.472 0.0393 1.87 0.486 0.0531 3.2 3.586 0.9675 3121658 ChemDiv3_013294 COc1ccc(/C=C\2/Oc3ccccc3N(CC(=O)O)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M07 compound treatment 0.433 2.81E-4 0.01 0.443 0.0101 0.61 0.4407 0.7225 3036811 ChemDiv3_013295 CCOC(=O)C1CCC(CNCc2ccccc2C)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M08 compound treatment 0.448 0.0153 0.73 0.442 0.00913 0.55 0.9038 0.9904 3121659 ChemDiv3_013296 COc1ccc(cc1OC)C2OC(=O)CC2C(=O)NCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M09 compound treatment 0.437 0.00428 0.2 0.443 0.0101 0.61 0.5756 0.895 3036813 ChemDiv3_013297 CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M10 compound treatment 0.447 0.0143 0.68 0.45 0.0171 1.03 1.2107 0.9797 3121660 ChemDiv3_013298 Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)sc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M11 compound treatment 0.486 0.0533 2.54 0.494 0.0611 3.68 4.3985 0.9836 3036814 ChemDiv3_013299 OC(=O)CCCc1c([nH]c2ccccc12)[n+]3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M12 compound treatment 0.438 0.00528 0.25 0.441 0.00813 0.49 0.5241 0.9522 3121661 ChemDiv3_013300 COc1ccc(cc1)C2SCC(N2C(=O)C)C(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M13 compound treatment 0.47 0.0373 1.78 0.478 0.0451 2.72 3.178 0.9788 3121662 ChemDiv3_013301 COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c3ccc(C)cc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M14 compound treatment 0.452 0.0193 0.92 0.463 0.0301 1.81 1.9327 0.9504 3036877 ChemDiv3_013302 CCC(Sc1nc2n[nH]c(C)c2c(=N)n1c3cccc(Cl)c3C)C(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M15 compound treatment 0.431 -0.00172 -0.08 0.433 1.29E-4 0.01 -0.0524 -0.6372 3121663 ChemDiv3_013303 OC(=O)CN1N=C(CCC1=O)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M16 compound treatment 0.477 0.0443 2.11 0.492 0.0591 3.56 4.01 0.9689 1224886 ChemDiv3_013304 O=C(NCCC1=CCCCC1)c2ccc3SCC(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M17 compound treatment 0.518 0.0853 4.07 0.518 0.0851 5.13 6.499 0.9934 3037807 ChemDiv3_013305 Fc1ccc(CN2C(=O)/C(=C\C(=O)NCc3ccccc3)/Sc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M18 compound treatment 0.481 0.0483 2.3 0.481 0.0481 2.9 3.6765 0.9935 1162072 ChemDiv3_013306 Nc1cc(ccc1Sc2ccccc2C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M19 compound treatment 0.545 0.112 5.35 0.547 0.114 6.87 8.6438 0.9924 3037809 ChemDiv3_013307 CCn1cc(CN(Cc2ccccc2)C(=S)Nc3cc(C)ccc3C)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M20 compound treatment 0.508 0.0753 3.59 0.506 0.0731 4.4 5.651 0.9948 3037811 ChemDiv3_013308 CCc1ccc(NC(=O)CSc2ncnc3c4ccccc4sc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M21 compound treatment 0.431 -0.00172 -0.08 0.431 -0.00187 -0.11 -0.1376 -0.9878 1920457 ChemDiv3_013309 Clc1ccc(CNC(=O)c2ccc(Br)o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M22 compound treatment 0.437 0.00428 0.2 0.433 1.29E-4 0.01 0.1498 0.7335 3037812 ChemDiv3_013310 Cc1nc2c(cnn2c(C)c1Cc3c(F)cccc3Cl)C(=O)NCc4ccc5OCOc5c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M23 mock treatment 0.432 -7.19E-4 -0.03 0.421 -0.0119 -0.71 -0.5296 -0.7402 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 M24 mock treatment 0.443 0.0103 0.49 0.43 -0.00287 -0.17 0.2243 0.4316 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N01 compound treatment 0.525 0.0923 4.4 0.545 0.112 6.75 7.8844 0.9785 3121664 ChemDiv3_013311 OC(=O)c1cnn2c(cc(nc12)c3ccco3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N02 compound treatment 0.462 0.0293 1.4 0.46 0.0271 1.63 2.142 0.9969 3121665 ChemDiv3_013312 Cc1ccc(Cn2c(=O)cc(C(=O)NCc3cccs3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N03 compound treatment 0.446 0.0133 0.63 0.441 0.00813 0.49 0.7938 0.9919 3037816 ChemDiv3_013313 COC(CNC(=O)c1cnn2c(C)c(Cc3c(C)cc(C)cc3C)c(C)nc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N04 compound treatment 0.432 -7.19E-4 -0.03 0.434 0.00113 0.07 0.0238 0.3132 3121666 ChemDiv3_013314 O=C(NCCCN1CCCC1)c2cc(nc3ccccc23)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N05 compound treatment 0.435 0.00228 0.11 0.45 0.0171 1.03 0.8062 0.7774 3037818 ChemDiv3_013315 CCc1ccc(NC(=S)N(CCN2CCOCC2)Cc3ccccc3F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N06 compound treatment 0.434 0.00128 0.06 0.442 0.00913 0.55 0.4319 0.7809 3121667 ChemDiv3_013316 O=C(N1CCC2(CC1)OCCO2)c3cc(nc4ccccc34)c5cccnc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N07 compound treatment 0.466 0.0333 1.59 0.486 0.0531 3.2 3.3838 0.9477 1712820 ChemDiv3_013317 O=C(NCCc1ccccc1)c2cc(nc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N08 compound treatment 0.426 -0.00672 -0.32 0.441 0.00813 0.49 0.1196 0.2045 1588871 ChemDiv3_013318 Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)NC4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N09 compound treatment 0.533 0.1 4.78 0.537 0.104 6.27 7.8135 0.991 3036735 ChemDiv3_013319 Fc1ccccc1CN(C2CCCCC2)C(=S)NCC(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N10 compound treatment 0.434 0.00128 0.06 0.433 1.29E-4 0.01 0.0487 0.7907 1409092 ChemDiv3_013320 OC(=O)c1cccnc1SCC(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N11 compound treatment 0.515 0.0823 3.92 0.51 0.0771 4.64 6.0573 0.9965 3036737 ChemDiv3_013321 CCCCN(C)c1ccc(cc1NC(=S)Nc2cccc(C)c2)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N12 compound treatment 0.464 0.0313 1.49 0.463 0.0301 1.81 2.3372 0.9953 1882367 ChemDiv3_013322 Cc1ccc(cc1C)c2cc(C(=O)NCC=C)c3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N13 compound treatment 0.45 0.0173 0.82 0.46 0.0271 1.63 1.7375 0.9498 3036739 ChemDiv3_013323 Cc1cc(=O)oc(C)c1C(=O)NCC2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N14 compound treatment 0.434 0.00128 0.06 0.432 -8.71E-4 -0.05 0.0061 0.0759 3036740 ChemDiv3_013324 OC(=O)c1ccccc1C(=O)NCC2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N15 compound treatment 0.454 0.0213 1.01 0.471 0.0381 2.3 2.3407 0.9326 3121668 ChemDiv3_013325 COc1ccc(OC)c(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4)c(C)n3n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N16 compound treatment 0.439 0.00628 0.3 0.449 0.0161 0.97 0.8984 0.8841 3036742 ChemDiv3_013326 Cc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N17 compound treatment 0.44 0.00728 0.35 0.446 0.0131 0.79 0.8044 0.9317 3121669 ChemDiv3_013327 CC(C)NC(=O)c1ccc2SCC(=O)N(Cc3ccccc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N18 compound treatment 0.463 0.0303 1.44 0.466 0.0331 1.99 2.4312 0.9874 3121670 ChemDiv3_013328 CC(C)CCNC(=O)C1CCN(CC1)c2nc3ccccc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N19 compound treatment 0.439 0.00628 0.3 0.441 0.00813 0.49 0.5578 0.9722 3036744 ChemDiv3_013329 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NC2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N20 compound treatment 0.439 0.00628 0.3 0.453 0.0201 1.21 1.0687 0.8561 3121671 ChemDiv3_013330 Cc1ccc(NC(=S)N(Cc2cccc(C)c2)c3ccccn3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N21 compound treatment 0.44 0.00728 0.35 0.436 0.00313 0.19 0.3787 0.9588 3036747 ChemDiv3_013331 CC(C)N(C)C1CCN(CC1)C(=S)Nc2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N22 compound treatment 0.43 -0.00272 -0.13 0.44 0.00713 0.43 0.2119 0.4725 3121672 ChemDiv3_013332 CC(=O)Nc1cc(ccc1Sc2ccc(Cl)cc2)C(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N23 mock treatment 0.432 -7.19E-4 -0.03 0.433 1.29E-4 0.01 -0.0187 -0.5332 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 N24 mock treatment 0.438 0.00528 0.25 0.436 0.00313 0.19 0.3112 0.9898 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O01 compound treatment 0.438 0.00528 0.25 0.436 0.00313 0.19 0.3112 0.9898 1585487 ChemDiv3_013333 COc1ccc(cc1)S(=O)(=O)NCC2CCC(CC2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O02 compound treatment 0.452 0.0193 0.92 0.452 0.0191 1.15 1.4643 0.9938 3036749 ChemDiv3_013334 COC(=O)c1cc2CN(Cc3ccc(Cl)cc3)Cc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O03 compound treatment 0.438 0.00528 0.25 0.441 0.00813 0.49 0.5241 0.9522 1541675 ChemDiv3_013335 CC(C)C(CC(=O)O)NCc1ccccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O04 compound treatment 0.445 0.0123 0.59 0.45 0.0171 1.03 1.1432 0.964 3036751 ChemDiv3_013336 O=C(CN1CCOc2ccccc12)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O05 compound treatment 0.449 0.0163 0.78 0.449 0.0161 0.97 1.2355 0.9938 3121851 ChemDiv3_013337 OC(=O)CNC(=S)N(Cc1cccs1)C2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O06 compound treatment 0.495 0.0623 2.97 0.493 0.0601 3.62 4.6593 0.9951 3121852 ChemDiv3_013338 OC(=O)c1ccc2S/C(=C/c3ccccc3)/C(=O)N(Cc4ccc(F)cc4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O07 compound treatment 0.428 -0.00472 -0.22 0.44 0.00713 0.43 0.1445 0.2981 3036753 ChemDiv3_013339 CCOC(=O)C1CCC(CNCc2ccc(OC)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O08 compound treatment 0.469 0.0363 1.73 0.462 0.0291 1.75 2.4631 1.0 3121853 ChemDiv3_013340 CC1CCC2(OC(=O)C(=C2)C)C(C1)C(=O)NCc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O09 compound treatment 0.443 0.0103 0.49 0.44 0.00713 0.43 0.6501 0.9978 3036755 ChemDiv3_013341 CN1C(=O)c2ccccc2Sc3ccc(cc13)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O10 compound treatment 0.479 0.0463 2.21 0.498 0.0651 3.92 4.3329 0.963 3121854 ChemDiv3_013342 COC(=O)c1ccc2Sc3ccccc3C(=S)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O11 compound treatment 0.441 0.00828 0.39 0.432 -8.71E-4 -0.05 0.2421 0.6078 1381204 ChemDiv3_013343 CCOC(=O)C1CCCN(C1)C(=S)Nc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O12 compound treatment 0.444 0.0113 0.54 0.446 0.0131 0.79 0.9392 0.9824 3036816 ChemDiv3_013344 COC(CNC(=O)c1cc2CSCc2s1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O13 compound treatment 0.43 -0.00272 -0.13 0.449 0.0161 0.97 0.595 0.6074 3036818 ChemDiv3_013345 NC(=O)c1cccn1Cc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O14 compound treatment 0.446 0.0133 0.63 0.444 0.0111 0.67 0.9215 0.9996 1460833 ChemDiv3_013346 Fc1ccccc1CSCC(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O15 compound treatment 0.444 0.0113 0.54 0.429 -0.00387 -0.23 0.2155 0.3676 1003082 ChemDiv3_013347 OC(=O)CCC(=O)c1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O16 compound treatment 0.438 0.00528 0.25 0.453 0.0201 1.21 1.035 0.8361 1696468 ChemDiv3_013348 OC(=O)CCS(=O)(=O)Cc1ccccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O17 compound treatment 0.439 0.00628 0.3 0.441 0.00813 0.49 0.5578 0.9722 3036820 ChemDiv3_013349 Fc1ccc(CN2C(=O)/C(=C\C(=O)N3CCCC3)/Sc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O18 compound treatment 0.445 0.0123 0.59 0.443 0.0101 0.61 0.8452 0.9998 1566405 ChemDiv3_013350 NC(=O)c1cc(ccc1F)S(=O)(=O)N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O19 compound treatment 0.459 0.0263 1.25 0.451 0.0181 1.09 1.6577 0.9976 3036822 ChemDiv3_013351 COC(=O)c1cnn(C(=O)c2ccccc2)c1NC(=S)Nc3ccc(C)cc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O20 compound treatment 0.483 0.0503 2.4 0.472 0.0391 2.36 3.3608 1.0 3036823 ChemDiv3_013352 CCN(C(=O)CSc1ncnc2c3ccccc3sc12)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O21 compound treatment 0.433 2.81E-4 0.01 0.425 -0.00787 -0.47 -0.3256 -0.6868 3121855 ChemDiv3_013353 COC(=O)c1ccc(cc1)C2N(Cc3ccc(F)cc3)CCCN2Cc4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O22 compound treatment 0.44 0.00728 0.35 0.437 0.00413 0.25 0.4212 0.9866 3036824 ChemDiv3_013354 COC(=O)c1cnn2c(O)c(C(C)C)c(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O23 mock treatment 0.438 0.00528 0.25 0.432 -8.71E-4 -0.05 0.1409 0.5481 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 O24 mock treatment 0.444 0.0113 0.54 0.438 0.00513 0.31 0.5986 0.9653 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P01 compound treatment 0.452 0.0193 0.92 0.459 0.0261 1.57 1.7624 0.9672 3121856 ChemDiv3_013355 CC1CCCC(NC(=O)c2ccc3SCC(=O)Nc3c2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P02 compound treatment 0.466 0.0333 1.59 0.46 0.0271 1.63 2.2768 0.9999 3121857 ChemDiv3_013356 CCCNC(=O)c1cc(=O)n(Cc2ccc(C)cc2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P03 compound treatment 0.454 0.0213 1.01 0.431 -0.00187 -0.11 0.6377 0.6247 3036828 ChemDiv3_013357 COc1cccc(CNC(=O)c2cnn3c(C)c(Cc4c(C)cc(C)cc4C)c(C)nc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P04 compound treatment 0.44 0.00728 0.35 0.447 0.0141 0.85 0.847 0.9218 3121858 ChemDiv3_013358 O=C(CCC1CC(=O)Nc2ccccc12)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P05 compound treatment 0.49 0.0573 2.73 0.491 0.0581 3.5 4.4056 0.9925 3121859 ChemDiv3_013359 COc1cccc(NC(=S)N(Cc2ccc(C)o2)Cc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P06 compound treatment 0.435 0.00228 0.11 0.439 0.00613 0.37 0.3378 0.8781 3036831 ChemDiv3_013360 O=C(NC1CC1)c2cc(nc3ccccc23)c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P07 compound treatment 0.439 0.00628 0.3 0.451 0.0181 1.09 0.9836 0.869 3121860 ChemDiv3_013361 COC(CNC(=O)c1cc(nc2ccccc12)c3ccccc3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P08 compound treatment 0.444 0.0113 0.54 0.439 0.00613 0.37 0.6412 0.9831 1397765 ChemDiv3_013362 Cc1nc2c(cnn2c(C)c1Cc3ccc(Cl)cc3)C(=O)N4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P09 compound treatment 0.448 0.0153 0.73 0.452 0.0191 1.15 1.3295 0.9756 3121861 ChemDiv3_013363 Cc1ccc(CN(Cc2ccccc2)C(=S)NCC(=O)N3CCC4(CC3)OCCO4)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P10 compound treatment 0.434 0.00128 0.06 0.437 0.00413 0.25 0.219 0.8554 3121862 ChemDiv3_013364 OC(=O)c1cccnc1SCC(=O)NCCC2=CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P11 compound treatment 0.448 0.0153 0.73 0.447 0.0141 0.85 1.1166 0.997 3036835 ChemDiv3_013365 CCN(C(=O)CSc1nc2nc(C)c(Cc3cc(C)ccc3C)c(C)n2n1)c4cccc(C)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P12 compound treatment 0.465 0.0323 1.54 0.468 0.0351 2.12 2.5837 0.9878 3121863 ChemDiv3_013366 O=C(CC(C(=O)N1CCc2ccccc12)n3ccnc3)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P13 compound treatment 0.448 0.0153 0.73 0.451 0.0181 1.09 1.2869 0.9807 3036837 ChemDiv3_013367 Cc1cc(=O)oc(C)c1C(=O)NC2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P14 compound treatment 0.545 0.112 5.35 0.554 0.121 7.29 8.9418 0.9884 3121864 ChemDiv3_013368 O=C(CC(C(=O)N1CCc2ccccc12)n3ccnc3)N4CCc5ccccc5C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P15 compound treatment 0.455 0.0223 1.06 0.464 0.0311 1.87 2.0764 0.9638 3121865 ChemDiv3_013369 CCc1ccc(cc1)N2C(=O)C3CCCN3C2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P16 compound treatment 0.451 0.0183 0.87 0.446 0.0131 0.79 1.1752 0.9988 3036880 ChemDiv3_013370 COc1cccc(NC(=O)c2oc3ccc(cc3c2C)S(=O)(=O)N4CC(C)CC(C)C4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P17 compound treatment 0.554 0.121 5.78 0.545 0.112 6.75 8.862 0.997 3036881 ChemDiv3_013371 CC(C)NC(=O)c1ccc2Sc3ccccc3C(=O)N(Cc4cccc(C)c4)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P18 compound treatment 0.442 0.00928 0.44 0.465 0.0321 1.93 1.6807 0.847 1224632 ChemDiv3_013372 CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P19 compound treatment 0.444 0.0113 0.54 0.453 0.0201 1.21 1.2373 0.9331 3036883 ChemDiv3_013373 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NC2CCCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P20 compound treatment 0.445 0.0123 0.59 0.443 0.0101 0.61 0.8452 0.9998 3036885 ChemDiv3_013374 Cn1cc(CCC(=O)NC2CCCCC2)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P21 compound treatment 0.449 0.0163 0.78 0.448 0.0151 0.91 1.1929 0.9968 3036887 ChemDiv3_013375 CCc1ccc(NC(=S)N2CCC(CC2)N(C)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P22 compound treatment 0.428 -0.00472 -0.22 0.43 -0.00287 -0.17 -0.2813 -0.9915 3121866 ChemDiv3_013376 CCC(C)NC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P23 mock treatment 0.434 0.00128 0.06 0.428 -0.00487 -0.29 -0.1642 -0.5481 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2038 P24 mock treatment 0.434 0.00128 0.06 0.417 -0.0159 -0.96 -0.6325 -0.6606 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A01 compound treatment 0.445 0.009 0.43 0.42 -0.02 -1.2 -0.5481 -0.4288 3036889 ChemDiv3_013377 CCN(C(=O)CSc1ncccc1C(=O)OC(C)C)c2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A02 compound treatment 0.458 0.022 1.05 0.444 0.004 0.24 0.9119 0.8474 3121867 ChemDiv3_013378 Cc1cccc(NC(=S)N(CCc2ccncc2)C3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A03 compound treatment 0.436 0.0 0.0 0.445 0.005 0.3 0.2129 0.7071 3121868 ChemDiv3_013379 CC1CCCC(C)N1CCNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(=O)C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A04 compound treatment 0.441 0.005 0.24 0.44 0.0 0.0 0.1685 0.7071 3036891 ChemDiv3_013380 CC(C)CCNC(=O)C1CCN(CC1)C(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A05 compound treatment 0.498 0.062 2.96 0.494 0.054 3.25 4.3889 0.9989 3121869 ChemDiv3_013381 CCN1C(=O)c2ccccc2Sc3ccc(cc13)C(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A06 compound treatment 0.438 0.002 0.1 0.443 0.003 0.18 0.1951 0.9554 3036894 ChemDiv3_013382 O=C(CN1N=C(CCC1=O)c2ccccc2)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A07 compound treatment 0.442 0.006 0.29 0.445 0.005 0.3 0.4151 0.9997 3121870 ChemDiv3_013383 CCC(C)NC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A08 compound treatment 0.441 0.005 0.24 0.44 0.0 0.0 0.1685 0.7071 3036896 ChemDiv3_013384 O=C(NCCC1=CCCCC1)C2CCN(CC2)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A09 compound treatment 0.431 -0.005 -0.24 0.441 0.001 0.06 -0.126 -0.5124 3121871 ChemDiv3_013385 COc1ccc(Br)cc1CNC(=O)C2CCCN(C2)c3nc4ccccc4o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A10 compound treatment 0.451 0.015 0.72 0.448 0.008 0.48 0.8462 0.9815 3036897 ChemDiv3_013386 Cc1ccc(CSCCC(=O)N2CCN(CC2)c3cccc(C)c3C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A11 compound treatment 0.432 -0.004 -0.19 0.435 -0.005 -0.3 -0.3477 -0.9757 3121872 ChemDiv3_013387 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A12 compound treatment 0.445 0.009 0.43 0.449 0.009 0.54 0.6865 0.9933 3036900 ChemDiv3_013388 CS(=O)(=O)N1CCCC(C1)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A13 compound treatment 0.449 0.013 0.62 0.439 -0.001 -0.06 0.3956 0.6354 3121873 ChemDiv3_013389 O=C(CNC(=O)c1cccs1)N2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A14 compound treatment 0.427 -0.009 -0.43 0.431 -0.009 -0.54 -0.6865 -0.9933 3121874 ChemDiv3_013390 CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A15 compound treatment 0.437 0.001 0.05 0.429 -0.011 -0.66 -0.4346 -0.6545 3036903 ChemDiv3_013391 FC(F)(F)c1cccc(c1)S(=O)(=O)N(CCCN2CCOCC2)Cc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A16 compound treatment 0.438 0.002 0.1 0.446 0.006 0.36 0.3229 0.8641 3121875 ChemDiv3_013392 O=C(CN1C(=O)COc2ccccc12)NCCN3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A17 compound treatment 0.432 -0.004 -0.19 0.428 -0.012 -0.72 -0.6457 -0.8641 3036942 ChemDiv3_013393 CCC1Oc2ccccc2N(CC(=O)N3CCOCC3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A18 compound treatment 0.436 0.0 0.0 0.439 -0.001 -0.06 -0.0426 -0.7071 3036943 ChemDiv3_013394 O=C(NCCc1ccccc1)C2CN(C3CCCC3)C(=O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A19 compound treatment 0.426 -0.01 -0.48 0.426 -0.014 -0.84 -0.9331 -0.9636 3036945 ChemDiv3_013395 O=C(CCN1C(=O)COc2ccccc12)NC3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A20 compound treatment 0.432 -0.004 -0.19 0.434 -0.006 -0.36 -0.3903 -0.9554 3036946 ChemDiv3_013396 Cc1ccc(cc1)c2ccc(=O)n(CC(=O)N3CCCCC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A21 compound treatment 0.416 -0.02 -0.95 0.427 -0.013 -0.78 -1.2276 -0.9952 3036947 ChemDiv3_013397 COCCN(C1CCN(CC1)C(C)C)C(=O)Nc2ccc(Cl)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A22 compound treatment 0.432 -0.004 -0.19 0.433 -0.007 -0.42 -0.4329 -0.9357 3036948 ChemDiv3_013398 Cc1ccccc1CSCc2ccc(o2)C(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A23 mock treatment 0.431 -0.005 -0.24 0.433 -0.007 -0.42 -0.4666 -0.9636 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 A24 mock treatment 0.422 -0.014 -0.67 0.397 -0.043 -2.59 -2.3026 -0.8612 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B01 compound treatment 0.428 -0.008 -0.38 0.448 0.008 0.48 0.0709 0.1155 3036950 ChemDiv3_013399 O=C(CCn1nc(ccc1=O)c2ccccc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B02 compound treatment 0.491 0.055 2.62 0.487 0.047 2.83 3.8549 0.9993 3121876 ChemDiv3_013400 Brc1ccc2[nH]c(=O)cc(C(=O)NC3CCCC3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B03 compound treatment 0.45 0.014 0.67 0.461 0.021 1.26 1.366 0.9554 3122060 ChemDiv3_013401 COc1ccc(CN2CC(CC2=O)C(=O)NCCCN3CCC(C)CC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B04 compound treatment 0.482 0.046 2.19 0.482 0.042 2.53 3.3387 0.9975 3036953 ChemDiv3_013402 C=CCNC(=O)CN1C(=O)/C(=C/c2ccccc2)/Sc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B05 compound treatment 0.448 0.012 0.57 0.455 0.015 0.9 1.0431 0.9757 3122061 ChemDiv3_013403 CCC(C)NC(=O)C1CCC(=O)N1CCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B06 compound treatment 0.449 0.013 0.62 0.444 0.004 0.24 0.6085 0.9152 3122062 ChemDiv3_013404 CC1CCN(CC1)S(=O)(=O)c2ccc3nc(cc(C(=O)NCC4CCCO4)c3c2)c5cccnc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B07 compound treatment 0.463 0.027 1.29 0.462 0.022 1.32 1.8468 0.9999 3036955 ChemDiv3_013405 CCc1ccc(Sc2cc(C(=O)NC3CC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B08 compound treatment 0.47 0.034 1.62 0.469 0.029 1.75 2.3807 0.9993 3036957 ChemDiv3_013406 CC(N(C1CCCCC1)C(=O)Nc2ccccc2)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B09 compound treatment 0.458 0.022 1.05 0.457 0.017 1.02 1.4653 0.9999 3122063 ChemDiv3_013407 CC1CCCC(C)N1CCNC(=O)C2C3OC4(CN(Cc5ccccc5Cl)C(=O)C24)C=C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B10 compound treatment 0.541 0.105 5.01 0.535 0.095 5.72 7.5839 0.9978 3122064 ChemDiv3_013408 COC(CNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)/Oc3ccc(cc13)C(C)(C)C)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B11 compound treatment 0.443 0.007 0.33 0.445 0.005 0.3 0.4488 0.9987 3036960 ChemDiv3_013409 CCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B12 compound treatment 0.443 0.007 0.33 0.447 0.007 0.42 0.534 0.9933 3122065 ChemDiv3_013410 COCCN(C1CCN(CC1)C(=O)C)C(=S)Nc2cc(F)cc(F)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B13 compound treatment 0.457 0.021 1.0 0.461 0.021 1.26 1.6019 0.9933 3036961 ChemDiv3_013411 CNC(=O)C1CN(CCc2ccc(C)cc2)C(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B14 compound treatment 0.48 0.044 2.1 0.475 0.035 2.11 2.9733 1.0 3122066 ChemDiv3_013412 O=C(NCCC1=CCCCC1)C2CCC(CNS(=O)(=O)c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B15 compound treatment 0.45 0.014 0.67 0.454 0.014 0.84 1.068 0.9933 3036963 ChemDiv3_013413 COC(CNC(=O)c1cc(Sc2nnc(C)s2)nc3ccccc13)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B16 compound treatment 0.513 0.077 3.67 0.52 0.08 4.82 6.0015 0.991 3122067 ChemDiv3_013414 O=C(N1CCCCC1)c2ccc(/C=C\3/Sc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B17 compound treatment 0.449 0.013 0.62 0.455 0.015 0.9 1.0768 0.9831 3122068 ChemDiv3_013415 CN(CCNC(=O)c1cc(Sc2nnc(C)s2)nc3ccccc13)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B18 compound treatment 0.488 0.052 2.48 0.479 0.039 2.35 3.4132 0.9996 3036966 ChemDiv3_013416 Fc1cccc(Cl)c1CN2N=C(CCC2=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B19 compound treatment 0.447 0.011 0.52 0.454 0.014 0.84 0.9668 0.9739 3122069 ChemDiv3_013417 COc1ccc(cc1)C2=NN(CC(=O)NCc3ccc(C)cc3)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B20 compound treatment 0.567 0.131 6.24 0.535 0.095 5.72 8.4603 0.999 3036967 ChemDiv3_013418 COc1ccccc1NC(=S)N(Cc2cccn2Cc3ccc(F)cc3Cl)Cc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B21 compound treatment 0.437 0.001 0.05 0.448 0.008 0.48 0.3743 0.7733 3036915 ChemDiv3_013419 CSc1cccc(NC(=S)NCc2cccn2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B22 compound treatment 0.436 0.0 0.0 0.429 -0.011 -0.66 -0.4683 -0.7071 3036916 ChemDiv3_013420 COc1ccc(cc1)c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B23 mock treatment 0.447 0.011 0.52 0.446 0.006 0.36 0.6262 0.9835 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 B24 mock treatment 0.433 -0.003 -0.14 0.441 0.001 0.06 -0.0585 -0.3773 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C01 compound treatment 0.523 0.087 4.15 0.513 0.073 4.4 6.0405 0.9996 3036918 ChemDiv3_013421 COc1ccc(NC(=O)CSc2ncccc2C(=O)Oc3ccccc3Cl)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C02 compound treatment 0.424 -0.012 -0.57 0.431 -0.009 -0.54 -0.7877 -0.9996 3036919 ChemDiv3_013422 CCc1ccc(NC(=O)N(CCN(C)C)C(C)c2cccnc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C03 compound treatment 0.424 -0.012 -0.57 0.426 -0.014 -0.84 -1.0005 -0.9822 3036920 ChemDiv3_013423 COc1ccc(CCNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(=O)C)c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C04 compound treatment 0.43 -0.006 -0.29 0.43 -0.01 -0.6 -0.628 -0.9421 3036923 ChemDiv3_013424 CN(C)C(=O)N1CCC(CC1)C(=O)NCCC2=CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C05 compound treatment 0.426 -0.01 -0.48 0.433 -0.007 -0.42 -0.6351 -0.9981 3122070 ChemDiv3_013425 CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)N2CCC(C)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C06 compound treatment 0.428 -0.008 -0.38 0.425 -0.015 -0.9 -0.9083 -0.9265 3036970 ChemDiv3_013426 CC(C)CCNC(=O)Cn1nc(ccc1=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C07 compound treatment 0.425 -0.011 -0.52 0.43 -0.01 -0.6 -0.7965 -0.9976 3036971 ChemDiv3_013427 Clc1ccc(CS(=O)(=O)Cc2ccc(o2)C(=O)N3CCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C08 compound treatment 0.431 -0.005 -0.24 0.444 0.004 0.24 0.0018 0.0052 3036973 ChemDiv3_013428 O=C(Cn1nc(ccc1=O)c2ccccc2)NCCCN3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C09 compound treatment 0.488 0.052 2.48 0.482 0.042 2.53 3.5409 1.0 3036974 ChemDiv3_013429 Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)CN3C(=O)COc4ccc(cc34)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C10 compound treatment 0.448 0.012 0.57 0.443 0.003 0.18 0.5322 0.8872 3036976 ChemDiv3_013430 COc1ccc(CNC(=O)CCSCc2ccc(C)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C11 compound treatment 0.503 0.067 3.19 0.487 0.047 2.83 4.2594 0.9982 3036978 ChemDiv3_013431 Clc1cccc(CN2C(=O)c3ccccc3Sc4ccc(cc24)C(=O)NCC=C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C12 compound treatment 0.439 0.003 0.14 0.434 -0.006 -0.36 -0.1543 -0.3972 3122071 ChemDiv3_013432 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C13 compound treatment 0.428 -0.008 -0.38 0.438 -0.002 -0.12 -0.3548 -0.8872 3036981 ChemDiv3_013433 Clc1ccc(NC(=O)N(CCCN2CCOCC2)Cc3cccnc3)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C14 compound treatment 0.422 -0.014 -0.67 0.427 -0.013 -0.78 -1.0254 -0.9969 3122072 ChemDiv3_013434 CC1CCN(CC1)C(=O)CN2N=C(CCC2=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C15 compound treatment 0.412 -0.024 -1.14 0.421 -0.019 -1.14 -1.6179 -1.0 3036984 ChemDiv3_013435 O=S(=O)(N(CCCN1CCOCC1)Cc2cccs2)c3ccc(cc3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C16 compound treatment 0.43 -0.006 -0.29 0.431 -0.009 -0.54 -0.5854 -0.9554 3122073 ChemDiv3_013436 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)N2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C17 compound treatment 0.427 -0.009 -0.43 0.432 -0.008 -0.48 -0.644 -0.9983 3036987 ChemDiv3_013437 O=C(C1CCN(CC1)S(=O)(=O)N2CCCCC2)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C18 compound treatment 0.429 -0.007 -0.33 0.436 -0.004 -0.24 -0.4063 -0.9872 3122074 ChemDiv3_013438 COc1ccc(CNC(=O)C2CN(C3CCCC3)C(=O)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C19 compound treatment 0.464 0.028 1.33 0.463 0.023 1.38 1.923 0.9998 3122075 ChemDiv3_013439 COc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(cc23)S(=O)(=O)N4CCCCC4C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C20 compound treatment 0.428 -0.008 -0.38 0.428 -0.012 -0.72 -0.7806 -0.9554 3036991 ChemDiv3_013440 CCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C21 compound treatment 0.414 -0.022 -1.05 0.426 -0.014 -0.84 -1.3376 -0.9941 3122076 ChemDiv3_013441 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C22 compound treatment 0.484 0.048 2.29 0.461 0.021 1.26 2.512 0.9609 3037682 ChemDiv3_013442 CCc1ccc(NC(=O)N(Cc2ccco2)C(C)c3cccs3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C23 mock treatment 0.414 -0.022 -1.05 0.421 -0.019 -1.14 -1.5505 -0.9991 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 C24 mock treatment 0.422 -0.014 -0.67 0.429 -0.011 -0.66 -0.9402 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D01 compound treatment 0.442 0.006 0.29 0.438 -0.002 -0.12 0.1171 0.3773 3122077 ChemDiv3_013443 CC(C)NC(=O)CCn1nc(ccc1=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D02 compound treatment 0.475 0.039 1.86 0.472 0.032 1.93 2.677 0.9998 3037687 ChemDiv3_013444 Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D03 compound treatment 0.432 -0.004 -0.19 0.434 -0.006 -0.36 -0.3903 -0.9554 3122078 ChemDiv3_013445 Clc1ccc(cc1)c2ccc(=O)n(CCC(=O)NCc3cccnc3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D04 compound treatment 0.433 -0.003 -0.14 0.431 -0.009 -0.54 -0.4843 -0.8641 3037691 ChemDiv3_013446 COCCN(C(C)c1ccccn1)C(=S)Nc2cccc(Cl)c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D05 compound treatment 0.438 0.002 0.1 0.444 0.004 0.24 0.2377 0.9177 3122079 ChemDiv3_013447 CC1CCN(CCCNC(=O)C2CN(CCc3ccccc3)C(=O)C2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D06 compound treatment 0.482 0.046 2.19 0.485 0.045 2.71 3.4664 0.9945 3037758 ChemDiv3_013448 CC(N(C1CCCCC1)C(=S)Nc2cccc(Cl)c2C)c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D07 compound treatment 0.449 0.013 0.62 0.455 0.015 0.9 1.0768 0.9831 3122080 ChemDiv3_013449 CCc1ccc(Sc2cc(C(=O)NCC3CCCO3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D08 compound treatment 0.471 0.035 1.67 0.468 0.028 1.69 2.3719 1.0 3037763 ChemDiv3_013450 Cc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D09 compound treatment 0.512 0.076 3.62 0.516 0.076 4.58 5.7975 0.9933 3122081 ChemDiv3_013451 CC1CCCC(NC(=O)c2ccc(N3CCCCC3)c(NS(=O)(=O)c4ccc(C)cc4)c2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D10 compound treatment 0.431 -0.005 -0.24 0.44 0.0 0.0 -0.1685 -0.7071 3037767 ChemDiv3_013452 COc1ccc(cc1)N2CCC(CNC(=O)Nc3ccccc3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D11 compound treatment 0.445 0.009 0.43 0.449 0.009 0.54 0.6865 0.9933 3122082 ChemDiv3_013453 CC1CCC(CC1)NC(=O)c2ccc(c(NC(=O)C)c2)S(=O)(=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D12 compound treatment 0.431 -0.005 -0.24 0.437 -0.003 -0.18 -0.2963 -0.9906 3122083 ChemDiv3_013454 COCCN(C1CCN(CC1)C(=O)C)C(=O)Nc2ccc(OC)cc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D13 compound treatment 0.452 0.016 0.76 0.45 0.01 0.6 0.9651 0.9931 3037774 ChemDiv3_013455 CC(C)CCN1CC(CC1=O)C(=O)NCc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D14 compound treatment 0.433 -0.003 -0.14 0.434 -0.006 -0.36 -0.3566 -0.9177 3036687 ChemDiv3_013456 CN(CCC#N)C(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D15 compound treatment 0.439 0.003 0.14 0.431 -0.009 -0.54 -0.282 -0.5033 3122084 ChemDiv3_013457 Cc1nnc(Sc2cc(C(=O)NCc3ccccn3)c4ccccc4n2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D16 compound treatment 0.635 0.199 9.49 0.621 0.181 10.9 14.4138 0.9976 3036693 ChemDiv3_013458 O=C(NC1CCCC1)c2ccc(/C=C\3/Sc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D17 compound treatment 0.44 0.004 0.19 0.442 0.002 0.12 0.22 0.9754 3122085 ChemDiv3_013459 CC1CC(C)CN(CCCNC(=O)c2cc(Sc3nnc(C)s3)nc4ccccc24)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D18 compound treatment 0.436 0.0 0.0 0.445 0.005 0.3 0.2129 0.7071 3036698 ChemDiv3_013460 CN(C(=O)CN1N=C(CCC1=O)c2ccc(Cl)cc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D19 compound treatment 0.443 0.007 0.33 0.442 0.002 0.12 0.3211 0.9051 3122264 ChemDiv3_013461 COC(CNC(=O)c1ccc2n(cnc2c1)C3CCCCCC3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D20 compound treatment 0.603 0.167 7.96 0.569 0.129 7.77 11.1213 0.9999 3122265 ChemDiv3_013462 CC1CCCCC1NC(=O)c2ccc(/C=C\3/Sc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D21 compound treatment 0.436 0.0 0.0 0.434 -0.006 -0.36 -0.2554 -0.7071 3036703 ChemDiv3_013463 CCOc1ccccc1NC(=S)NCc2cccn2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D22 compound treatment 0.484 0.048 2.29 0.463 0.023 1.38 2.5972 0.9711 3122266 ChemDiv3_013464 CCc1ccc(NC(=O)Cn2nc(ccc2=O)c3ccc(OC)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D23 mock treatment 0.429 -0.007 -0.33 0.439 -0.001 -0.06 -0.2785 -0.8214 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 D24 mock treatment 0.431 -0.005 -0.24 0.428 -0.012 -0.72 -0.6794 -0.893 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E01 compound treatment 0.438 0.002 0.1 0.443 0.003 0.18 0.1951 0.9554 3036776 ChemDiv3_013465 CCCN(CCC)C(=O)CSc1ncccc1C(=O)Oc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E02 compound treatment 0.468 0.032 1.53 0.47 0.03 1.81 2.3559 0.9965 3036779 ChemDiv3_013466 CC(C)N(C(C)c1ccccn1)C(=S)Nc2cccc(c2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E03 compound treatment 0.509 0.073 3.48 0.513 0.073 4.4 5.5686 0.9933 3122267 ChemDiv3_013467 CC(=O)Nc1cc(ccc1Sc2ccc(C)cc2)C(=O)NCCc3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E04 compound treatment 0.439 0.003 0.14 0.441 0.001 0.06 0.1437 0.9261 3122268 ChemDiv3_013468 CCC1Oc2ccc(C)cc2N(CC(=O)NCCCN3CCN(CC3)c4ccccc4F)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E05 compound treatment 0.438 0.002 0.1 0.442 0.002 0.12 0.1526 0.9933 3036783 ChemDiv3_013469 CC1CC(C)CN(C1)C(=O)c2ccc(Sc3ccc(Cl)cc3)c(NC(=O)C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E06 compound treatment 0.446 0.01 0.48 0.45 0.01 0.6 0.7628 0.9933 3122269 ChemDiv3_013470 O=C(Cn1nc(ccc1=O)c2ccccc2)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E07 compound treatment 0.48 0.044 2.1 0.469 0.029 1.75 2.7178 0.9958 3122270 ChemDiv3_013471 CCOC(=O)c1cccnc1SCC(=O)Nc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E08 compound treatment 0.457 0.021 1.0 0.455 0.015 0.9 1.3465 0.9987 3036789 ChemDiv3_013472 CCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCCCC2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E09 compound treatment 0.445 0.009 0.43 0.445 0.005 0.3 0.5162 0.985 3122271 ChemDiv3_013473 COc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E10 compound treatment 0.472 0.036 1.72 0.469 0.029 1.75 2.4481 1.0 3036860 ChemDiv3_013474 Cc1ccc(CNC(=O)CCSCc2ccc(C)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E11 compound treatment 0.446 0.01 0.48 0.453 0.013 0.78 0.8905 0.9717 3036863 ChemDiv3_013475 Sc1ncccc1C(=O)n2ccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E12 compound treatment 0.447 0.011 0.52 0.445 0.005 0.3 0.5837 0.9653 3036865 ChemDiv3_013476 CS(=O)(=O)N1CCCC(C1)C(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E13 compound treatment 0.448 0.012 0.57 0.455 0.015 0.9 1.0431 0.9757 3122272 ChemDiv3_013477 CCOc1ccc(NC(=O)N(CCCN2CCOCC2)Cc3cccnc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E14 compound treatment 0.436 0.0 0.0 0.435 -0.005 -0.3 -0.2129 -0.7071 3036868 ChemDiv3_013478 C=CCNC(=O)CN1N=C(CCC1=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E15 compound treatment 0.46 0.024 1.14 0.462 0.022 1.32 1.7456 0.9973 3122273 ChemDiv3_013479 CCc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E16 compound treatment 0.44 0.004 0.19 0.436 -0.004 -0.24 -0.0355 -0.1155 3122274 ChemDiv3_013480 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)N2CCc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E17 compound treatment 0.437 0.001 0.05 0.444 0.004 0.24 0.204 0.8309 3036873 ChemDiv3_013481 CC1CCN(CCCNC(=O)c2ccc3n(cnc3c2)C4CCCC4)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E18 compound treatment 0.453 0.017 0.81 0.451 0.011 0.66 1.0414 0.995 3122275 ChemDiv3_013482 Fc1ccc(CSCC(=O)NC2CCCCC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E19 compound treatment 0.43 -0.006 -0.29 0.435 -0.005 -0.3 -0.4151 -0.9997 3036925 ChemDiv3_013483 COCCN(C1CCN(CC1)C(C)C)C(=S)Nc2ccc(cc2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E20 compound treatment 0.435 -0.001 -0.05 0.433 -0.007 -0.42 -0.3317 -0.7821 3122276 ChemDiv3_013484 CC1CCCCN1CCNC(=O)Cn2nc(ccc2=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E21 compound treatment 0.43 -0.006 -0.29 0.436 -0.004 -0.24 -0.3725 -0.9963 3036929 ChemDiv3_013485 CCOC(=O)N1CCC(CC1)N(CCOC)C(=S)Nc2ccc(C)cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E22 compound treatment 0.431 -0.005 -0.24 0.43 -0.01 -0.6 -0.5943 -0.9177 3122277 ChemDiv3_013486 CC1CCN(CC1)C(=O)Cn2nc(ccc2=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E23 mock treatment 0.429 -0.007 -0.33 0.432 -0.008 -0.48 -0.5766 -0.9839 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 E24 mock treatment 0.439 0.003 0.14 0.446 0.006 0.36 0.3566 0.9177 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F01 compound treatment 0.447 0.011 0.52 0.449 0.009 0.54 0.754 0.9999 3122278 ChemDiv3_013487 CC1CCCN(CCCNC(=O)CCn2nc(ccc2=O)c3ccccc3)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F02 compound treatment 0.471 0.035 1.67 0.464 0.024 1.45 2.2016 0.9974 3036935 ChemDiv3_013488 COC(CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F03 compound treatment 0.441 0.005 0.24 0.443 0.003 0.18 0.2963 0.9906 3122279 ChemDiv3_013489 Clc1ccc(cc1)c2ccc(=O)n(CCC(=O)N3CCC4(CC3)OCCO4)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F04 compound treatment 0.449 0.013 0.62 0.447 0.007 0.42 0.7362 0.9824 3036938 ChemDiv3_013490 COc1cc(Cl)c(C)cc1NC(=S)N(CCN(C)C)C(C)c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F05 compound treatment 0.452 0.016 0.76 0.455 0.015 0.9 1.1779 0.9965 3122280 ChemDiv3_013491 O=C(NC1CCCC1)C2CN(CCc3ccccc3)C(=O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F06 compound treatment 0.53 0.094 4.48 0.524 0.084 5.06 6.7448 0.9982 3039062 ChemDiv3_013492 O=C(NC1CC1)/C=C/2\Sc3ccccc3NC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F07 compound treatment 0.52 0.084 4.0 0.521 0.081 4.88 6.28 0.9952 3039063 ChemDiv3_013493 CCc1ccc(Sc2cc(C(=O)NCc3cccnc3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F08 compound treatment 0.498 0.062 2.96 0.489 0.049 2.95 4.176 1.0 3039064 ChemDiv3_013494 COC(CNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N3CCC(C)CC3)c4ccccn4)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F09 compound treatment 0.441 0.005 0.24 0.44 0.0 0.0 0.1685 0.7071 3039065 ChemDiv3_013495 CNC(=O)C1CN(C2CCCCCC2)C(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F10 compound treatment 0.587 0.151 7.2 0.586 0.146 8.79 11.3058 0.9951 3039066 ChemDiv3_013496 Fc1ccc(cc1)N2CCN(CC2)C(=O)CN3C(=O)/C(=C/c4ccccc4F)/Sc5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F11 compound treatment 0.444 0.008 0.38 0.449 0.009 0.54 0.6528 0.9852 3039067 ChemDiv3_013497 CC1CCN(CCCNC(=O)c2ccc(c(NC(=O)C)c2)S(=O)(=O)c3ccc(Cl)cc3)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F12 compound treatment 0.456 0.02 0.95 0.462 0.022 1.32 1.6108 0.987 3122281 ChemDiv3_013498 CC(C)CCN(C(C)c1ccncc1)C(=S)Nc2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F13 compound treatment 0.458 0.022 1.05 0.462 0.022 1.32 1.6782 0.9933 3122282 ChemDiv3_013499 CC(C)NC(=O)C1CCC(=O)N1Cc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F14 compound treatment 0.452 0.016 0.76 0.453 0.013 0.78 1.0928 0.9999 3039068 ChemDiv3_013500 CCC(C)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F15 compound treatment 0.466 0.03 1.43 0.462 0.022 1.32 1.9479 0.9993 3122283 ChemDiv3_013501 Cc1nnc(Sc2cc(C(=O)NCCc3ccccc3)c4ccccc4n2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F16 compound treatment 0.566 0.13 6.2 0.555 0.115 6.92 9.2781 0.9985 3039069 ChemDiv3_013502 CNC(=O)c1ccc(/C=C\2/Sc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F17 compound treatment 0.454 0.018 0.86 0.461 0.021 1.26 1.5008 0.9822 3122284 ChemDiv3_013503 Fc1ccc(CN2C(CCC2=O)C(=O)NCc3ccccc3Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F18 compound treatment 0.508 0.072 3.43 0.501 0.061 3.67 5.024 0.9994 3122285 ChemDiv3_013504 Clc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F19 compound treatment 0.536 0.1 4.77 0.527 0.087 5.24 7.0748 0.9989 3039070 ChemDiv3_013505 Clc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F20 compound treatment 0.442 0.006 0.29 0.444 0.004 0.24 0.3725 0.9963 3122286 ChemDiv3_013506 Clc1cccc(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F21 compound treatment 0.487 0.051 2.43 0.527 0.087 5.24 5.4231 0.9391 3039071 ChemDiv3_013507 CCc1cccc(NC(=S)N2CCC(C2)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F22 compound treatment 0.574 0.138 6.58 0.574 0.134 8.07 10.3567 0.9949 3122287 ChemDiv3_013508 COc1ccc(CCNC(=O)c2ccc(/C=C/3\Oc4ccccc4NC3=O)cc2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F23 mock treatment 0.446 0.01 0.48 0.448 0.008 0.48 0.6777 1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 F24 mock treatment 0.433 -0.003 -0.14 0.44 0.0 0.0 -0.1011 -0.7071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G01 compound treatment 0.428 -0.008 -0.38 0.439 -0.001 -0.06 -0.3122 -0.8087 3122288 ChemDiv3_013509 CC(C)N1C(CCC1=O)C(=O)NCCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G02 compound treatment 0.434 -0.002 -0.1 0.444 0.004 0.24 0.1029 0.3972 3039072 ChemDiv3_013510 CS(=O)(=O)N1CCC(CC1)C(=O)NC2CCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G03 compound treatment 0.498 0.062 2.96 0.492 0.052 3.13 4.3038 0.9996 3122289 ChemDiv3_013511 CCc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(=O)C)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G04 compound treatment 0.441 0.005 0.24 0.45 0.01 0.6 0.5943 0.9177 3039073 ChemDiv3_013512 CC(C)CCN1CC(CC1=O)C(=O)NC2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G05 compound treatment 0.486 0.05 2.38 0.475 0.035 2.11 3.1755 0.9981 3122290 ChemDiv3_013513 CC(=O)Nc1cc(ccc1Sc2ccc(Cl)cc2)C(=O)N3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G06 compound treatment 0.439 0.003 0.14 0.452 0.012 0.72 0.612 0.8309 3039074 ChemDiv3_013514 O=C(Cn1nc(ccc1=O)c2ccccc2)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G07 compound treatment 0.469 0.033 1.57 0.469 0.029 1.75 2.347 0.9986 3122291 ChemDiv3_013515 CSc1cccc(NC(=O)CSc2ncccc2C(=O)OC(C)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G08 compound treatment 0.446 0.01 0.48 0.456 0.016 0.96 1.0183 0.9474 3039075 ChemDiv3_013516 CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G09 compound treatment 0.427 -0.009 -0.43 0.437 -0.003 -0.18 -0.4311 -0.9261 3122480 ChemDiv3_013517 CC(C)N(C1CCN(CC1)C(C)C)C(=S)Nc2cc(Cl)ccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G10 compound treatment 0.496 0.06 2.86 0.504 0.064 3.85 4.7472 0.9892 3122481 ChemDiv3_013518 COc1ccccc1NC(=S)N(C(C)c2ccco2)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G11 compound treatment 0.43 -0.006 -0.29 0.434 -0.006 -0.36 -0.4577 -0.9933 3039076 ChemDiv3_013519 CC1CC(C)CN(C1)C(=O)c2cc(nc3ccc(cc23)S(=O)(=O)N4CCOCC4)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G12 compound treatment 0.443 0.007 0.33 0.449 0.009 0.54 0.6191 0.9729 3122482 ChemDiv3_013520 CC1CC(C)CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G13 compound treatment 0.455 0.019 0.91 0.456 0.016 0.96 1.3216 0.9995 3122483 ChemDiv3_013521 CCc1ccc(NC(=O)N(Cc2ccco2)Cc3cccnc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G14 compound treatment 0.432 -0.004 -0.19 0.439 -0.001 -0.06 -0.1774 -0.8872 3039077 ChemDiv3_013522 CC1CCCCC1NC(=O)CN2N=C(CCC2=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G15 compound treatment 0.469 0.033 1.57 0.469 0.029 1.75 2.347 0.9986 3122484 ChemDiv3_013523 COc1ccc(CCN(Cc2ccccn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G16 compound treatment 0.442 0.006 0.29 0.446 0.006 0.36 0.4577 0.9933 3039078 ChemDiv3_013524 COc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G17 compound treatment 0.441 0.005 0.24 0.447 0.007 0.42 0.4666 0.9636 3122485 ChemDiv3_013525 CCOC(=O)N1CCN(CC1)C(=O)c2ccc3n(cnc3c2)C4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G18 compound treatment 0.461 0.025 1.19 0.454 0.014 0.84 1.4387 0.9856 3039079 ChemDiv3_013526 Cc1ccc(CSCC(=O)N2CCN(CC2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G19 compound treatment 0.438 0.002 0.1 0.438 -0.002 -0.12 -0.0177 -0.1155 3122486 ChemDiv3_013527 CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCc3ccc(F)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G20 compound treatment 0.469 0.033 1.57 0.445 0.005 0.3 1.3252 0.8274 3122487 ChemDiv3_013528 Cc1ccc(CSCc2ccc(o2)C(=O)NCCc3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G21 compound treatment 0.429 -0.007 -0.33 0.432 -0.008 -0.48 -0.5766 -0.9839 3039080 ChemDiv3_013529 CCOc1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)C)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G22 compound treatment 0.43 -0.006 -0.29 0.428 -0.012 -0.72 -0.7131 -0.9177 3122488 ChemDiv3_013530 Clc1ccc(cc1)c2ccc(=O)n(CC(=O)NCc3ccco3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G23 mock treatment 0.426 -0.01 -0.48 0.43 -0.01 -0.6 -0.7628 -0.9933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 G24 mock treatment 0.433 -0.003 -0.14 0.43 -0.01 -0.6 -0.5269 -0.8514 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H01 compound treatment 0.448 0.012 0.57 0.45 0.01 0.6 0.8302 0.9997 3039081 ChemDiv3_013531 O=C(CCn1nc(ccc1=O)c2ccccc2)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H02 compound treatment 0.445 0.009 0.43 0.447 0.007 0.42 0.6014 1.0 3122489 ChemDiv3_013532 CC(NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12)c3ccc4OCCOc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H03 compound treatment 0.429 -0.007 -0.33 0.427 -0.013 -0.78 -0.7894 -0.9278 3039082 ChemDiv3_013533 CCOC(=O)N1CCN(CC1)C(=O)CCn2nc(ccc2=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H04 compound treatment 0.441 0.005 0.24 0.452 0.012 0.72 0.6794 0.893 3122490 ChemDiv3_013534 COc1ccc(cc1)N2CCC(CNS(=O)(=O)c3cccc(c3)C(F)(F)F)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H05 compound treatment 0.436 0.0 0.0 0.437 -0.003 -0.18 -0.1277 -0.7071 3122491 ChemDiv3_013535 CC1CCCC(C)N1CCNC(=O)CCn2nc(ccc2=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H06 compound treatment 0.45 0.014 0.67 0.451 0.011 0.66 0.9402 1.0 3039083 ChemDiv3_013536 O=C(/C=C/1\Sc2ccccc2NC1=O)N3CCN(CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H07 compound treatment 0.447 0.011 0.52 0.445 0.005 0.3 0.5837 0.9653 3122492 ChemDiv3_013537 CCOc1ccc(Sc2cc(C(=O)N3CCCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H08 compound treatment 0.465 0.029 1.38 0.449 0.009 0.54 1.3607 0.9164 3122493 ChemDiv3_013538 CC1CCN(CC1)S(=O)(=O)c2ccc3nc(cc(C(=O)NC4CCCC4)c3c2)c5ccccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H09 compound treatment 0.438 0.002 0.1 0.445 0.005 0.3 0.2803 0.8876 3039084 ChemDiv3_013539 CCS(=O)(=O)N1CCCC(C1)C(=O)NCc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H10 compound treatment 0.445 0.009 0.43 0.446 0.006 0.36 0.5588 0.9963 3122494 ChemDiv3_013540 NC(=O)C1CCN(CC1)C(=O)CN2C(=O)/C(=C/c3ccccc3F)/Sc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H11 compound treatment 0.438 0.002 0.1 0.442 0.002 0.12 0.1526 0.9933 3039085 ChemDiv3_013541 O=C(NCCCN1CCCC1=O)c2ccc3n(cnc3c2)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H12 compound treatment 0.429 -0.007 -0.33 0.434 -0.006 -0.36 -0.4914 -0.9992 3122495 ChemDiv3_013542 COc1ccc(cc1)C2=NN(CCC(=O)NC3CC3)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H13 compound treatment 0.527 0.091 4.34 0.529 0.089 5.36 6.8565 0.9945 3039086 ChemDiv3_013543 CCc1cccc(NC(=S)N(CCC(C)C)C(C)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H14 compound treatment 0.437 0.001 0.05 0.44 0.0 0.0 0.0337 0.7071 3122496 ChemDiv3_013544 O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H15 compound treatment 0.492 0.056 2.67 0.488 0.048 2.89 3.9312 0.9992 3122497 ChemDiv3_013545 Cc1nnc(Sc2cc(C(=O)NC3CC3)c4ccccc4n2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H16 compound treatment 0.521 0.085 4.05 0.491 0.051 3.07 5.0365 0.9906 3039087 ChemDiv3_013546 CCc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H17 compound treatment 0.472 0.036 1.72 0.479 0.039 2.35 2.8739 0.9881 3122498 ChemDiv3_013547 CCCC(=O)Nc1cc(ccc1S(=O)(=O)c2ccc(C)cc2)C(=O)NC3CCCCC3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H18 compound treatment 0.43 -0.006 -0.29 0.432 -0.008 -0.48 -0.5428 -0.969 3039088 ChemDiv3_013548 CSc1cccc(NC(=S)NCCN(C2CCCC2)C3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H19 compound treatment 0.462 0.026 1.24 0.456 0.016 0.96 1.5576 0.9922 3122499 ChemDiv3_013549 Cc1cccc(CCNC(=O)c2cc(O)nc3ccc(Br)cc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H20 compound treatment 0.483 0.047 2.24 0.482 0.042 2.53 3.3724 0.9982 3122500 ChemDiv3_013550 CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3Sc4ccc(cc24)C(=O)N5CCCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H21 compound treatment 0.437 0.001 0.05 0.439 -0.001 -0.06 -0.0089 -0.1155 3039089 ChemDiv3_013551 CCC1=Nc2cc(ccc2Sc3ccc(C)cc13)C(=O)NCCN4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H22 compound treatment 0.501 0.065 3.1 0.515 0.075 4.52 5.3841 0.9831 3122501 ChemDiv3_013552 O=C(NCCC1=CCCCC1)c2ccc(/C=C/3\Oc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H23 mock treatment 0.436 0.0 0.0 0.437 -0.003 -0.18 -0.1277 -0.7071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 H24 mock treatment 0.434 -0.002 -0.1 0.44 0.0 0.0 -0.0674 -0.7071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I01 compound treatment 0.499 0.063 3.0 0.449 0.009 0.54 2.5068 0.8214 3039090 ChemDiv3_013553 CN(C)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I02 compound treatment 0.45 0.014 0.67 0.443 0.003 0.18 0.5996 0.8673 3122502 ChemDiv3_013554 CS(=O)(=O)N1CCC(CC1)C(=O)N2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I03 compound treatment 0.46 0.024 1.14 0.462 0.022 1.32 1.7456 0.9973 3122503 ChemDiv3_013555 CCC1Oc2ccc(Cl)cc2N(CC(=O)NCCc3ccccc3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I04 compound treatment 0.432 -0.004 -0.19 0.441 0.001 0.06 -0.0923 -0.4614 3039091 ChemDiv3_013556 CN(C)C(=O)N1CCCC(C1)C(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I05 compound treatment 0.433 -0.003 -0.14 0.44 0.0 0.0 -0.1011 -0.7071 3122504 ChemDiv3_013557 CCCCN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I06 compound treatment 0.443 0.007 0.33 0.438 -0.002 -0.12 0.1508 0.4251 3039092 ChemDiv3_013558 COc1ccc(CNC(=O)Cn2nc(ccc2=O)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I07 compound treatment 0.418 -0.018 -0.86 0.42 -0.02 -1.2 -1.4582 -0.9862 3122505 ChemDiv3_013559 CC(C)OC(=O)c1cccnc1SCc2cc(=O)n3ccccc3n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I08 compound treatment 0.452 0.016 0.76 0.457 0.017 1.02 1.2631 0.9895 3122506 ChemDiv3_013560 CCS(=O)(=O)N1CCC(CC1)C(=O)NCc2ccc(F)cc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I09 compound treatment 0.449 0.013 0.62 0.45 0.01 0.6 0.8639 0.9999 3039093 ChemDiv3_013561 COc1ccc(NC(=S)N(C(C)C)C2CCN(CC2)C(C)C)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I10 compound treatment 0.466 0.03 1.43 0.46 0.02 1.2 1.8627 0.9963 3122688 ChemDiv3_013562 CC(N(C1CCCCC1)C(=O)Nc2ccccc2)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I11 compound treatment 0.435 -0.001 -0.05 0.441 0.001 0.06 0.0089 0.1155 3039094 ChemDiv3_013563 O=C(CNC(=O)c1cccs1)NCc2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I12 compound treatment 0.446 0.01 0.48 0.447 0.007 0.42 0.6351 0.9981 3122689 ChemDiv3_013564 COc1ccc(OC)c(CNC(=O)C2CCCN(C2)S(=O)(=O)N3CC(C)CC(C)C3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I13 compound treatment 0.444 0.008 0.38 0.438 -0.002 -0.12 0.1845 0.4614 3122690 ChemDiv3_013565 COc1ccc(NC(=O)N(Cc2ccc(C)cc2)Cc3ccccn3)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I14 compound treatment 0.445 0.009 0.43 0.444 0.004 0.24 0.4737 0.9627 3039095 ChemDiv3_013566 O=C(CN1C(=O)COc2ccccc12)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I15 compound treatment 0.439 0.003 0.14 0.443 0.003 0.18 0.2288 0.9933 3122691 ChemDiv3_013567 O=C(NCCC1=CCCCC1)c2ccc3n(cnc3c2)C4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I16 compound treatment 0.437 0.001 0.05 0.445 0.005 0.3 0.2466 0.809 3039326 ChemDiv3_013568 CCC(N1C(=O)CSc2ccc(cc12)C(C)(C)C)C(=O)NCc3ccc(OC)cc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I17 compound treatment 0.447 0.011 0.52 0.453 0.013 0.78 0.9243 0.981 3039327 ChemDiv3_013569 O=C(CCN1C(=O)COc2ccccc12)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I18 compound treatment 0.454 0.018 0.86 0.453 0.013 0.78 1.1602 0.9989 3039329 ChemDiv3_013570 COc1ccccc1CN2CC(CC2=O)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I19 compound treatment 0.439 0.003 0.14 0.433 -0.007 -0.42 -0.1969 -0.4424 3039330 ChemDiv3_013571 CCOc1ccccc1CN2C(C(=O)NCCCN3C(C)CCCC3C)c4ccccc4C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I20 compound treatment 0.53 0.094 4.48 0.535 0.095 5.72 7.2131 0.9927 3039332 ChemDiv3_013572 CCc1ccc(CNC(=O)c2ccc(CSCc3ccc(C)cc3)o2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I21 compound treatment 0.44 0.004 0.19 0.443 0.003 0.18 0.2626 0.9996 3122692 ChemDiv3_013573 CS(=O)(=O)N1CCC(CC1)C(=O)NCCN2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I22 compound treatment 0.428 -0.008 -0.38 0.432 -0.008 -0.48 -0.6103 -0.9933 3039333 ChemDiv3_013574 CC1CCCCC1NC(=O)Cn2nc(ccc2=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I23 mock treatment 0.434 -0.002 -0.1 0.442 0.002 0.12 0.0177 0.1155 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 I24 mock treatment 0.45 0.014 0.67 0.448 0.008 0.48 0.8125 0.9872 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J01 compound treatment 0.493 0.057 2.72 0.482 0.042 2.53 3.7095 0.9994 3122693 ChemDiv3_013575 CC1CCCC(NC(=O)c2ccc(CSCc3cccc(C)c3)o2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J02 compound treatment 0.432 -0.004 -0.19 0.429 -0.011 -0.66 -0.6032 -0.8751 3122694 ChemDiv3_013576 Brc1ccc2[nH]c(=O)cc(C(=O)NCC3CCCO3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J03 compound treatment 0.432 -0.004 -0.19 0.434 -0.006 -0.36 -0.3903 -0.9554 3039336 ChemDiv3_013577 Clc1cccc(Sc2cc(C(=O)NCCN3CCCC3)c4ccccc4n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J04 compound treatment 0.452 0.016 0.76 0.448 0.008 0.48 0.8799 0.9754 3122695 ChemDiv3_013578 COc1ccc(cc1)N2CCC(CNS(=O)(=O)c3cccc(Cl)c3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J05 compound treatment 0.421 -0.015 -0.72 0.422 -0.018 -1.08 -1.272 -0.9796 3122696 ChemDiv3_013579 Cc1ccc(cc1)c2ccc(=O)n(CCC(=O)NCCN3CCN(CC3)c4cccc(Cl)c4)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J06 compound treatment 0.449 0.013 0.62 0.447 0.007 0.42 0.7362 0.9824 3039338 ChemDiv3_013580 CC1N=C(c2ccccc2)c3ccccc3N(CCCOc4ccc(F)cc4)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J07 compound treatment 0.44 0.004 0.19 0.449 0.009 0.54 0.518 0.9017 3122697 ChemDiv3_013581 CC(C)NC(=O)C1CCC(=O)N1Cc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J08 compound treatment 0.436 0.0 0.0 0.441 0.001 0.06 0.0426 0.7071 3039340 ChemDiv3_013582 O=C(NC1CCCC1)C2CCCN(C2)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J09 compound treatment 0.438 0.002 0.1 0.44 0.0 0.0 0.0674 0.7071 3122698 ChemDiv3_013583 CCS(=O)(=O)N1CCCC(C1)C(=O)NCCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J10 compound treatment 0.432 -0.004 -0.19 0.439 -0.001 -0.06 -0.1774 -0.8872 3122699 ChemDiv3_013584 COC(CNC(=O)c1ccc2Sc3ccccc3C(=O)N(CC=C)c2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J11 compound treatment 0.511 0.075 3.58 0.51 0.07 4.21 5.5083 0.9966 3039343 ChemDiv3_013585 CSc1ccccc1Sc2cc(C(=O)NCc3ccco3)c4ccccc4n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J12 compound treatment 0.433 -0.003 -0.14 0.439 -0.001 -0.06 -0.1437 -0.9261 3039473 ChemDiv3_013586 COC(=O)c1ccc2SCC(=O)N(CC#N)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J13 compound treatment 0.488 0.052 2.48 0.483 0.043 2.59 3.5835 0.9998 3039389 ChemDiv3_013587 CCc1cccc(NC(=S)N(CCOC)C(C)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J14 compound treatment 0.425 -0.011 -0.52 0.433 -0.007 -0.42 -0.6688 -0.9941 3039391 ChemDiv3_013588 COC(CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J15 compound treatment 0.435 -0.001 -0.05 0.437 -0.003 -0.18 -0.1614 -0.8641 3039392 ChemDiv3_013589 Clc1ccccc1NC(=S)Nc2ccc(CN3CCOCC3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J16 compound treatment 0.483 0.047 2.24 0.491 0.051 3.07 3.7556 0.988 3039394 ChemDiv3_013590 CC(C)c1ccc(NC(=O)CN2N=C(CCC2=O)c3ccc(Cl)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J17 compound treatment 0.445 0.009 0.43 0.445 0.005 0.3 0.5162 0.985 3039396 ChemDiv3_013591 CCC(=O)Nc1cc(ccc1S(=O)(=O)c2ccc(C)cc2)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J18 compound treatment 0.43 -0.006 -0.29 0.441 0.001 0.06 -0.1597 -0.5463 3039397 ChemDiv3_013592 Cc1ccc(NC(=S)NCCN(C2CCCC2)C3CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J19 compound treatment 0.588 0.152 7.25 0.585 0.145 8.73 11.2969 0.9957 3122700 ChemDiv3_013593 Cc1ccc(CN2C(=O)/C(=C/C(=O)NCCc3ccccc3)/Sc4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J20 compound treatment 0.506 0.07 3.34 0.494 0.054 3.25 4.6586 0.9999 3122701 ChemDiv3_013594 CCCCN1CCCc2cc(CN(Cc3ccco3)C(=S)Nc4ccc(Cl)cc4OC)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J21 compound treatment 0.434 -0.002 -0.1 0.442 0.002 0.12 0.0177 0.1155 3039400 ChemDiv3_013595 Cc1ccc(cc1)C2=NN(CCC(=O)N3CCC(CC3)C(=O)N)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J22 compound treatment 0.43 -0.006 -0.29 0.435 -0.005 -0.3 -0.4151 -0.9997 3039401 ChemDiv3_013596 CCCCN(C1CCN(CC1)C(=O)C)C(=S)Nc2cccc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J23 mock treatment 0.432 -0.004 -0.19 0.435 -0.005 -0.3 -0.3477 -0.9757 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 J24 mock treatment 0.44 0.004 0.19 0.438 -0.002 -0.12 0.0497 0.2203 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K01 compound treatment 0.466 0.03 1.43 0.452 0.012 0.72 1.5221 0.95 3122702 ChemDiv3_013597 CC(=O)Nc1cc(ccc1Sc2ccc(Cl)cc2)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K02 compound treatment 0.44 0.004 0.19 0.455 0.015 0.9 0.7735 0.8379 3122703 ChemDiv3_013598 COc1ccc(Br)cc1CNC(=O)C2CCN(CC2)C(=O)N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K03 compound treatment 0.496 0.06 2.86 0.494 0.054 3.25 4.3215 0.998 3039404 ChemDiv3_013599 CCN1C(=O)c2ccccc2Sc3ccc(cc13)C(=O)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K04 compound treatment 0.439 0.003 0.14 0.456 0.016 0.96 0.7823 0.8033 3122704 ChemDiv3_013600 CC(=O)N1CCC(CC1)N(C2CCCC2)C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K05 compound treatment 0.521 0.085 4.05 0.514 0.074 4.46 6.0157 0.9989 3122705 ChemDiv3_013601 CC(=O)Nc1cc(ccc1Sc2ccc(Cl)cc2)C(=O)N3CCC(=CC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K06 compound treatment 0.445 0.009 0.43 0.445 0.005 0.3 0.5162 0.985 3039406 ChemDiv3_013602 O=C(Cn1nc(ccc1=O)c2ccccc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K07 compound treatment 0.505 0.069 3.29 0.501 0.061 3.67 4.9229 0.9985 3122706 ChemDiv3_013603 Clc1ccc(CCNC(=O)CCc2cn(Cc3ccccc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K08 compound treatment 0.455 0.019 0.91 0.449 0.009 0.54 1.0236 0.9698 3039407 ChemDiv3_013604 COc1ccc(CNC(=O)CN2N=C(CCC2=O)c3ccc(Cl)cc3)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K09 compound treatment 0.433 -0.003 -0.14 0.437 -0.003 -0.18 -0.2288 -0.9933 3122707 ChemDiv3_013605 CC(C)N1CCC(CC1)N(Cc2ccco2)C(=S)Nc3cccc(Cl)c3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K10 compound treatment 0.539 0.103 4.91 0.534 0.094 5.66 7.4739 0.9975 3122708 ChemDiv3_013606 CCc1cccc(NC(=S)N(C(C)c2cccs2)C3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K11 compound treatment 0.438 0.002 0.1 0.444 0.004 0.24 0.2377 0.9177 3039409 ChemDiv3_013607 CC1(C)CC(=O)c2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K12 compound treatment 0.462 0.026 1.24 0.455 0.015 0.9 1.515 0.9879 3122709 ChemDiv3_013608 CC1CC(C)CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC(C)C3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K13 compound treatment 0.434 -0.002 -0.1 0.433 -0.007 -0.42 -0.3654 -0.8457 3039411 ChemDiv3_013609 CC1(C)CC(=O)c2cc(OCC(=O)NC3CCCC3)ccc2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K14 compound treatment 0.448 0.012 0.57 0.451 0.011 0.66 0.8728 0.9973 3122710 ChemDiv3_013610 CC1CCCC(NC(=O)CCSCc2ccc(C)cc2)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K15 compound treatment 0.446 0.01 0.48 0.455 0.015 0.9 0.9757 0.9554 3122711 ChemDiv3_013611 Clc1ccc(CCNC(=O)c2ccc3n(cnc3c2)C4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K16 compound treatment 0.453 0.017 0.81 0.45 0.01 0.6 0.9988 0.9893 3039414 ChemDiv3_013612 CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)Nc2ccc(C)c(F)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K17 compound treatment 0.435 -0.001 -0.05 0.44 0.0 0.0 -0.0337 -0.7071 3039474 ChemDiv3_013613 CN(Cc1ccccc1)C(=O)CCN2C(=O)COc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K18 compound treatment 0.44 0.004 0.19 0.448 0.008 0.48 0.4754 0.9177 3039475 ChemDiv3_013614 CCC1Sc2ccccc2N(CC(=O)NC3CC3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K19 compound treatment 0.433 -0.003 -0.14 0.439 -0.001 -0.06 -0.1437 -0.9261 3039476 ChemDiv3_013615 COc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K20 compound treatment 0.448 0.012 0.57 0.45 0.01 0.6 0.8302 0.9997 3039477 ChemDiv3_013616 Cc1ccc(CSCc2ccc(o2)C(=O)NC3CCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K21 compound treatment 0.504 0.068 3.24 0.496 0.056 3.37 4.6763 0.9998 3039479 ChemDiv3_013617 Clc1ccc(SCCNC(=O)Nc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K22 compound treatment 0.437 0.001 0.05 0.439 -0.001 -0.06 -0.0089 -0.1155 3039481 ChemDiv3_013618 CC1CCCCC1NC(=O)CCn2nc(ccc2=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K23 mock treatment 0.429 -0.007 -0.33 0.434 -0.006 -0.36 -0.4914 -0.9992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 K24 mock treatment 0.445 0.009 0.43 0.452 0.012 0.72 0.8143 0.969 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L01 compound treatment 0.444 0.008 0.38 0.441 0.001 0.06 0.3122 0.8087 3122712 ChemDiv3_013619 Cc1ccccc1CS(=O)(=O)Cc2ccc(o2)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L02 compound treatment 0.442 0.006 0.29 0.443 0.003 0.18 0.33 0.9754 1108774 ChemDiv3_013620 COC(=O)C(C)C1Sc2ccccc2NC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L03 compound treatment 0.452 0.016 0.76 0.462 0.022 1.32 1.476 0.9656 3122713 ChemDiv3_013621 COc1ccc(CN2CC(CC2=O)C(=O)NCCN3CCN(CC3)c4ccccc4F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L04 compound treatment 0.395 -0.041 -1.95 0.391 -0.049 -2.95 -3.4682 -0.98 3122714 ChemDiv3_013622 CN(Cc1ccccc1)C(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc4ccccc4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L05 compound treatment 0.45 0.014 0.67 0.463 0.023 1.38 1.4511 0.944 3039484 ChemDiv3_013623 CC1CCCC(C)N1CCNC(=O)c2ccc3n(cnc3c2)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L06 compound treatment 0.455 0.019 0.91 0.438 -0.002 -0.12 0.5553 0.6077 3122888 ChemDiv3_013624 CC(N(CCN(C)C)C(=S)Nc1cc(F)cc(F)c1)c2ccncc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L07 compound treatment 0.437 0.001 0.05 0.459 0.019 1.14 0.8426 0.7359 3039485 ChemDiv3_013625 CCCCN1CC(CC1=O)C(=O)NCCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L08 compound treatment 0.504 0.068 3.24 0.501 0.061 3.67 4.8892 0.9981 3122889 ChemDiv3_013626 Cc1ccc(CCNC(=O)c2coc3nc4ccccc4nc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L09 compound treatment 0.448 0.012 0.57 0.456 0.016 0.96 1.0857 0.969 3039487 ChemDiv3_013627 CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L10 compound treatment 0.449 0.013 0.62 0.452 0.012 0.72 0.9491 0.9971 3122890 ChemDiv3_013628 Fc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L11 compound treatment 0.452 0.016 0.76 0.454 0.014 0.84 1.1354 0.9988 3122891 ChemDiv3_013629 CC(CNC(=O)Nc1ccccc1)CSc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L12 compound treatment 0.516 0.08 3.81 0.515 0.075 4.52 5.8897 0.9965 3039490 ChemDiv3_013630 CCc1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C4CCCC4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L13 compound treatment 0.442 0.006 0.29 0.453 0.013 0.78 0.7557 0.9068 3122892 ChemDiv3_013631 CC(C)N1CCC(CC1)N(CCN(C)C)C(=S)Nc2cc(C)cc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L14 compound treatment 0.44 0.004 0.19 0.454 0.014 0.84 0.7309 0.8457 3122893 ChemDiv3_013632 O=C(NCc1cccs1)C2CCC(CNS(=O)(=O)c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L15 compound treatment 0.486 0.05 2.38 0.48 0.04 2.41 3.3884 1.0 3039493 ChemDiv3_013633 CC(CNC(=S)Nc1cccc(Cl)c1)CSc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L16 compound treatment 0.505 0.069 3.29 0.498 0.058 3.49 4.7952 0.9996 3122894 ChemDiv3_013634 COc1ccc(NC(=S)N(Cc2cccn2Cc3ccc(C)cc3C)Cc4ccccc4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L17 compound treatment 0.458 0.022 1.05 0.456 0.016 0.96 1.4228 0.9991 3039496 ChemDiv3_013635 COc1ccc(cc1)C2=NN(CC(=O)NCC3CCCO3)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L18 compound treatment 0.44 0.004 0.19 0.448 0.008 0.48 0.4754 0.9177 3122895 ChemDiv3_013636 COc1ccc(NC(=S)NCCN(C2CCCC2)C3CCCCC3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L19 compound treatment 0.453 0.017 0.81 0.462 0.022 1.32 1.5097 0.9722 3122896 ChemDiv3_013637 O=C(NC1CCCCC1)c2ccc3n(cnc3c2)C4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L20 compound treatment 0.448 0.012 0.57 0.452 0.012 0.72 0.9154 0.9933 3039498 ChemDiv3_013638 Fc1ccccc1CS(=O)(=O)Cc2ccc(o2)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L21 compound treatment 0.433 -0.003 -0.14 0.441 0.001 0.06 -0.0585 -0.3773 3039549 ChemDiv3_013639 Cc1ccc(cc1)C2=NN(CCC(=O)NCC=C)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L22 compound treatment 0.453 0.017 0.81 0.453 0.013 0.78 1.1265 0.9998 3039550 ChemDiv3_013640 Cc1ccc(Nc2cc(C(=O)NCC3CCCO3)c4ccccc4n2)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L23 mock treatment 0.447 0.011 0.52 0.444 0.004 0.24 0.5411 0.9377 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 L24 mock treatment 0.453 0.017 0.81 0.441 0.001 0.06 0.6156 0.7576 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M01 compound treatment 0.438 0.002 0.1 0.439 -0.001 -0.06 0.0248 0.2203 3039551 ChemDiv3_013641 CCC1CCCCN1CCCNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(=O)C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M02 compound treatment 0.443 0.007 0.33 0.449 0.009 0.54 0.6191 0.9729 3039553 ChemDiv3_013642 CC1CCCC(NC(=O)C2CCN(CC2)C(=O)N(C)C)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M03 compound treatment 0.434 -0.002 -0.1 0.437 -0.003 -0.18 -0.1951 -0.9554 3039554 ChemDiv3_013643 CCN1C(=O)c2ccccc2Sc3ccc(cc13)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M04 compound treatment 0.554 0.118 5.63 0.538 0.098 5.9 8.1498 0.9997 3122897 ChemDiv3_013644 CC(C)N(C(C)c1ccccn1)C(=S)Nc2ccc(Oc3ccccc3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M05 compound treatment 0.483 0.047 2.24 0.488 0.048 2.89 3.6278 0.9921 3039557 ChemDiv3_013645 Cc1ccc(CCNC(=O)C2CCN(CC2)c3nc4ccccc4o3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M06 compound treatment 0.443 0.007 0.33 0.451 0.011 0.66 0.7043 0.9496 3122898 ChemDiv3_013646 CC(NC(=O)Cn1nc(ccc1=O)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M07 compound treatment 0.493 0.057 2.72 0.488 0.048 2.89 3.9649 0.9995 3039558 ChemDiv3_013647 CCc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c4ccccc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M08 compound treatment 0.451 0.015 0.72 0.459 0.019 1.14 1.3145 0.9744 3122899 ChemDiv3_013648 O=C(CCN1C(=O)COc2ccccc12)NCCN3CCc4ccccc4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M09 compound treatment 0.434 -0.002 -0.1 0.433 -0.007 -0.42 -0.3654 -0.8457 3122900 ChemDiv3_013649 CC(C)CCN(C)C1CCN(CC1)C(=O)Nc2ccc(Cl)c(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M10 compound treatment 0.435 -0.001 -0.05 0.447 0.007 0.42 0.2643 0.6232 3039560 ChemDiv3_013650 Clc1ccc(CSCCC(=O)N2CCN(CC2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M11 compound treatment 0.438 0.002 0.1 0.442 0.002 0.12 0.1526 0.9933 3122901 ChemDiv3_013651 CC1CCN(CC1)C(=O)CNC(=O)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M12 compound treatment 0.441 0.005 0.24 0.448 0.008 0.48 0.5091 0.9474 3039562 ChemDiv3_013652 CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M13 compound treatment 0.46 0.024 1.14 0.461 0.021 1.26 1.7031 0.9988 3122902 ChemDiv3_013653 CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3ccc(Cl)cc3)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M14 compound treatment 0.447 0.011 0.52 0.454 0.014 0.84 0.9668 0.9739 3122903 ChemDiv3_013654 CC1CCCCC1NC(=O)CCSCc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M15 compound treatment 0.449 0.013 0.62 0.451 0.011 0.66 0.9065 0.9994 3039565 ChemDiv3_013655 CCc1ccc(CNC(=O)c2ccc3n(cnc3c2)C4CCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M16 compound treatment 0.443 0.007 0.33 0.45 0.01 0.6 0.6617 0.9612 3122904 ChemDiv3_013656 Fc1ccc(cc1Cl)N2CC(CC2=O)C(=O)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M17 compound treatment 0.433 -0.003 -0.14 0.438 -0.002 -0.12 -0.1863 -0.9963 3122905 ChemDiv3_013657 CC1CCCC(C)N1CCCNC(=O)C2N(CCc3ccc(Cl)cc3)C(=O)c4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M18 compound treatment 0.439 0.003 0.14 0.45 0.01 0.6 0.5269 0.8514 3039568 ChemDiv3_013658 Cc1ccc(CS(=O)(=O)CCC(=O)NC2CC2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M19 compound treatment 0.439 0.003 0.14 0.443 0.003 0.18 0.2288 0.9933 3039569 ChemDiv3_013659 Cc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M20 compound treatment 0.437 0.001 0.05 0.444 0.004 0.24 0.204 0.8309 3122906 ChemDiv3_013660 CC(C)CCNC(=O)c1ccc(CSCc2ccc(C)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M21 compound treatment 0.453 0.017 0.81 0.466 0.026 1.57 1.68 0.953 3039572 ChemDiv3_013661 Clc1ccc(SCCNC(=S)Nc2cccc(Cl)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M22 compound treatment 0.438 0.002 0.1 0.439 -0.001 -0.06 0.0248 0.2203 3122907 ChemDiv3_013662 COc1cccc(CNC(=O)CCn2nc(ccc2=O)c3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M23 mock treatment 0.434 -0.002 -0.1 0.438 -0.002 -0.12 -0.1526 -0.9933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 M24 mock treatment 0.445 0.009 0.43 0.456 0.016 0.96 0.9846 0.9336 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N01 compound treatment 0.435 -0.001 -0.05 0.449 0.009 0.54 0.3495 0.6424 3122908 ChemDiv3_013663 Cc1ccccc1CS(=O)(=O)Cc2ccc(o2)C(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N02 compound treatment 0.546 0.11 5.24 0.528 0.088 5.3 7.4544 1.0 3039574 ChemDiv3_013664 O=C(CN1C(=O)/C(=C/c2ccccc2)/Sc3ccccc13)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N03 compound treatment 0.453 0.017 0.81 0.45 0.01 0.6 0.9988 0.9893 3039631 ChemDiv3_013665 CC(C)CCNC(=O)C1CCC(=O)N1CCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N04 compound treatment 0.394 -0.042 -2.0 0.408 -0.032 -1.93 -2.7781 -0.9998 3039632 ChemDiv3_013666 Cc1ccccc1NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCc5ccccc45)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N05 compound treatment 0.446 0.01 0.48 0.456 0.016 0.96 1.0183 0.9474 3039634 ChemDiv3_013667 O=C(c1ccc2n(cnc2c1)C3CCCCC3)n4ccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N06 compound treatment 0.434 -0.002 -0.1 0.435 -0.005 -0.3 -0.2803 -0.8876 3039635 ChemDiv3_013668 COc1cccc(NC(=S)N(CCN(C)C)C(C)c2ccncc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N07 compound treatment 0.489 0.053 2.53 0.491 0.051 3.07 3.9578 0.9953 3039637 ChemDiv3_013669 CCOc1ccccc1NC(=S)NCC(C)CSc2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N08 compound treatment 0.439 0.003 0.14 0.442 0.002 0.12 0.1863 0.9963 3039638 ChemDiv3_013670 COC(CNC(=O)c1coc2nc3ccccc3nc12)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N09 compound treatment 0.437 0.001 0.05 0.436 -0.004 -0.24 -0.1366 -0.5564 3122909 ChemDiv3_013671 CN1CCN(CC1)C(=O)c2ccc(c(NC(=O)C)c2)S(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N10 compound treatment 0.436 0.0 0.0 0.438 -0.002 -0.12 -0.0851 -0.7071 3039640 ChemDiv3_013672 CC1CC(C)CN(C1)C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N11 compound treatment 0.44 0.004 0.19 0.436 -0.004 -0.24 -0.0355 -0.1155 3122910 ChemDiv3_013673 CCCS(=O)(=O)N1CCCC(C1)C(=O)NC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N12 compound treatment 0.436 0.0 0.0 0.441 0.001 0.06 0.0426 0.7071 3039642 ChemDiv3_013674 CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N13 compound treatment 0.426 -0.01 -0.48 0.425 -0.015 -0.9 -0.9757 -0.9554 3122911 ChemDiv3_013675 CN(Cc1ccccc1)C(=O)Cn2nc(ccc2=O)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N14 compound treatment 0.434 -0.002 -0.1 0.438 -0.002 -0.12 -0.1526 -0.9933 3122912 ChemDiv3_013676 O=C(NCc1ccccn1)C2CCC(CNS(=O)(=O)c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N15 compound treatment 0.431 -0.005 -0.24 0.447 0.007 0.42 0.1295 0.2674 3039644 ChemDiv3_013677 CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N16 compound treatment 0.439 0.003 0.14 0.44 0.0 0.0 0.1011 0.7071 3122913 ChemDiv3_013678 CC1CCCCC1N2CCC(CNC(=S)Nc3cccc(Cl)c3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N17 compound treatment 0.443 0.007 0.33 0.447 0.007 0.42 0.534 0.9933 3039647 ChemDiv3_013679 COc1ccc(cc1)C2=NN(CC(=O)N3CCCC3)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N18 compound treatment 0.436 0.0 0.0 0.442 0.002 0.12 0.0851 0.7071 3122914 ChemDiv3_013680 CC(N(CCCN1CCOCC1)C(=S)Nc2cc(C)cc(C)c2)c3cc4ccccc4o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N19 compound treatment 0.458 0.022 1.05 0.465 0.025 1.51 1.8059 0.9844 3122915 ChemDiv3_013681 CCc1ccc(NC(=O)N2CCC(C2)c3ccccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N20 compound treatment 0.435 -0.001 -0.05 0.438 -0.002 -0.12 -0.1189 -0.9177 3039649 ChemDiv3_013682 CCN1CCN(CC1)C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N21 compound treatment 0.498 0.062 2.96 0.501 0.061 3.67 4.6869 0.9942 3123093 ChemDiv3_013683 CCOc1ccc(NC(=O)NCc2cccn2C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N22 compound treatment 0.517 0.081 3.86 0.51 0.07 4.21 5.7106 0.999 3123094 ChemDiv3_013684 CC1CC(C)CN(C1)C(=O)c2cc(Nc3ccc(C)c(C)c3)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N23 mock treatment 0.439 0.003 0.14 0.447 0.007 0.42 0.3991 0.8968 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 N24 mock treatment 0.439 0.003 0.14 0.44 0.0 0.0 0.1011 0.7071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O01 compound treatment 0.442 0.006 0.29 0.447 0.007 0.42 0.5003 0.9822 3039653 ChemDiv3_013685 CN(C)CCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(=O)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O02 compound treatment 0.441 0.005 0.24 0.46 0.02 1.2 1.02 0.8309 3123095 ChemDiv3_013686 CC(NC(=O)C1CCN(CC1)C(=O)N(C)C)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O03 compound treatment 0.438 0.002 0.1 0.437 -0.003 -0.18 -0.0603 -0.2953 3039655 ChemDiv3_013687 CCN1C(=O)c2ccccc2Sc3ccc(cc13)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O04 compound treatment 0.45 0.014 0.67 0.45 0.01 0.6 0.8977 0.9987 3123096 ChemDiv3_013688 CN(C)C(=O)N1CCC(CC1)C(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O05 compound treatment 0.488 0.052 2.48 0.488 0.048 2.89 3.7964 0.9971 3123097 ChemDiv3_013689 CCc1ccc(CNC(=O)C2CCN(CC2)c3nc4ccccc4o3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O06 compound treatment 0.488 0.052 2.48 1.836 1.4 84.05 61.1871 0.7276 3039711 ChemDiv3_013690 COc1ccc(Br)cc1CNC(=O)C2CCCN(C2)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O07 compound treatment 0.427 -0.009 -0.43 0.436 -0.004 -0.24 -0.4737 -0.9627 3039713 ChemDiv3_013691 CC1CCCCC1NC(=O)C2CCCN(C2)c3nc4ccccc4o3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O08 compound treatment 0.463 0.027 1.29 0.474 0.034 2.05 2.3576 0.975 3039714 ChemDiv3_013692 Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)CCN3C(=O)COc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O09 compound treatment 0.429 -0.007 -0.33 0.444 0.004 0.24 -0.0657 -0.1595 3039715 ChemDiv3_013693 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O10 compound treatment 0.438 0.002 0.1 0.448 0.008 0.48 0.408 0.8309 3039717 ChemDiv3_013694 CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O11 compound treatment 0.435 -0.001 -0.05 0.436 -0.004 -0.24 -0.204 -0.8309 3039718 ChemDiv3_013695 OC(=O)c1c2CN(CCc2nc3ccccc13)S(=O)(=O)c4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O12 compound treatment 0.439 0.003 0.14 0.443 0.003 0.18 0.2288 0.9933 3039719 ChemDiv3_013696 CCS(=O)(=O)N1CCC(CC1)C(=O)NCC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O13 compound treatment 0.436 0.0 0.0 0.43 -0.01 -0.6 -0.4257 -0.7071 3123098 ChemDiv3_013697 CC(C)N(C1CCN(CC1)C(=O)C)C(=O)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O14 compound treatment 0.464 0.028 1.33 0.466 0.026 1.57 2.0508 0.9969 3039721 ChemDiv3_013698 Cc1ccc(CSCC(=O)NCCc2ccc(Cl)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O15 compound treatment 0.437 0.001 0.05 0.439 -0.001 -0.06 -0.0089 -0.1155 3123099 ChemDiv3_013699 CCC1Oc2ccccc2N(CC(=O)N3CC(C)CC(C)C3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O16 compound treatment 0.442 0.006 0.29 0.444 0.004 0.24 0.3725 0.9963 3123100 ChemDiv3_013700 O=C(NCCc1ccccc1)C2CCC(=O)N2C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O17 compound treatment 0.442 0.006 0.29 0.437 -0.003 -0.18 0.0745 0.2203 3039724 ChemDiv3_013701 C=CCNC(=O)CCN1C(=O)COc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O18 compound treatment 0.438 0.002 0.1 0.451 0.011 0.66 0.5357 0.8006 3123101 ChemDiv3_013702 Cc1ccc(cc1)c2ccc(=O)n(CC(=O)NC3CCCC3)n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O19 compound treatment 0.428 -0.008 -0.38 0.428 -0.012 -0.72 -0.7806 -0.9554 3039726 ChemDiv3_013703 CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)Nc2ccc(cc2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O20 compound treatment 0.439 0.003 0.14 0.443 0.003 0.18 0.2288 0.9933 3123102 ChemDiv3_013704 Cc1ccc(CS(=O)(=O)Cc2ccc(o2)C(=O)N3CCc4ccccc4C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O21 compound treatment 0.438 0.002 0.1 0.44 0.0 0.0 0.0674 0.7071 3039728 ChemDiv3_013705 CC(C)N(C(C)c1ccccn1)C(=S)Nc2ccccc2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O22 compound treatment 0.451 0.015 0.72 0.445 0.005 0.3 0.7185 0.9261 3123103 ChemDiv3_013706 O=C(CCn1nc(ccc1=O)c2ccccc2)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O23 mock treatment 0.434 -0.002 -0.1 0.436 -0.004 -0.24 -0.2377 -0.9177 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 O24 mock treatment 0.448 0.012 0.57 0.453 0.013 0.78 0.958 0.9881 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P01 compound treatment 0.453 0.017 0.81 0.463 0.023 1.38 1.5522 0.9674 3123104 ChemDiv3_013707 O=C(CCN1N=C(CCC1=O)c2ccccc2)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P02 compound treatment 0.458 0.022 1.05 0.45 0.01 0.6 1.1673 0.9653 3039730 ChemDiv3_013708 O=C(CN1C(=O)/C(=C/c2ccccc2)/Sc3ccccc13)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P03 compound treatment 0.454 0.018 0.86 0.457 0.017 1.02 1.3305 0.9962 3123105 ChemDiv3_013709 COc1ccc(CCN2CC(CC2=O)C(=O)NCc3ccc(F)cc3)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P04 compound treatment 0.402 -0.034 -1.62 0.399 -0.041 -2.47 -2.8916 -0.9792 3123106 ChemDiv3_013710 CCCCN(C)C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)Nc3cccc(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P05 compound treatment 0.455 0.019 0.91 0.458 0.018 1.08 1.4068 0.996 3039732 ChemDiv3_013711 O=C(NCCN1CCCCCC1)c2ccc3n(cnc3c2)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P06 compound treatment 0.465 0.029 1.38 0.472 0.032 1.93 2.3399 0.9867 3123107 ChemDiv3_013712 CC1CCCCC1NC(=O)c2ccc3Sc4ccccc4C(=O)N(CC=C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P07 compound treatment 0.446 0.01 0.48 0.443 0.003 0.18 0.4648 0.9118 3039734 ChemDiv3_013713 Fc1ccc(cc1Cl)N2CC(CC2=O)C(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P08 compound treatment 0.453 0.017 0.81 0.459 0.019 1.14 1.3819 0.9857 3123108 ChemDiv3_013714 CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P09 compound treatment 0.452 0.016 0.76 0.454 0.014 0.84 1.1354 0.9988 3039736 ChemDiv3_013715 CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3(CC2)OCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P10 compound treatment 0.441 0.005 0.24 0.442 0.002 0.12 0.2537 0.95 3123109 ChemDiv3_013716 CCCN(CCC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P11 compound treatment 0.445 0.009 0.43 0.446 0.006 0.36 0.5588 0.9963 3039794 ChemDiv3_013717 CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P12 compound treatment 0.412 -0.024 -1.14 0.434 -0.006 -0.36 -1.0644 -0.8872 3039795 ChemDiv3_013718 Clc1ccc(cc1)S(=O)(=O)Cc2ccc(o2)C(=O)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P13 compound treatment 0.488 0.052 2.48 0.492 0.052 3.13 3.9667 0.9933 3039797 ChemDiv3_013719 COc1ccc(NC(=O)NCC(C)CSc2ccc(Cl)cc2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P14 compound treatment 0.462 0.026 1.24 0.467 0.027 1.63 2.0259 0.991 3039798 ChemDiv3_013720 O=C(NC1CCCCC1)C2CCC(CNS(=O)(=O)c3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P15 compound treatment 0.457 0.021 1.0 0.455 0.015 0.9 1.3465 0.9987 3039800 ChemDiv3_013721 CCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2cccs2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P16 compound treatment 0.438 0.002 0.1 0.442 0.002 0.12 0.1526 0.9933 3039801 ChemDiv3_013722 Fc1cc(F)cc(NC(=S)NCCN(C2CCCC2)C3CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P17 compound treatment 0.458 0.022 1.05 0.459 0.019 1.14 1.5505 0.9991 3123110 ChemDiv3_013723 COc1ccc(cc1)C2=NN(CC(=O)NCc3ccc4OCOc4c3)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P18 compound treatment 0.428 -0.008 -0.38 0.43 -0.01 -0.6 -0.6954 -0.9757 3039803 ChemDiv3_013724 CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc4c(C)cc(C)cc4C)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P19 compound treatment 0.433 -0.003 -0.14 0.446 0.006 0.36 0.1543 0.3972 3123111 ChemDiv3_013725 Cc1c(Cl)cccc1NC(=S)NCc2cccn2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P20 compound treatment 0.432 -0.004 -0.19 0.439 -0.001 -0.06 -0.1774 -0.8872 3123112 ChemDiv3_013726 CC(C)CCNC(=O)c1ccc(cc1)N2CCCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P21 compound treatment 0.453 0.017 0.81 0.454 0.014 0.84 1.1691 0.9998 3039807 ChemDiv3_013727 COCCN(C(C)c1cccnc1)C(=S)Nc2c(C)cccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P22 compound treatment 0.447 0.011 0.52 0.441 0.001 0.06 0.4134 0.7832 3123113 ChemDiv3_013728 Cc1ccc(Nc2cc(C(=O)N3CCCC3)c4ccccc4n2)cc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P23 mock treatment 0.445 0.009 0.43 0.45 0.01 0.6 0.7291 0.9862 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2039 P24 mock treatment 0.433 -0.003 -0.14 0.446 0.006 0.36 0.1543 0.3972 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A01 compound treatment 0.498 0.0648 3.09 0.52 0.0911 5.48 6.0627 0.9632 3123114 ChemDiv3_013729 CC(C)CCNC(=O)c1cc(Nc2ccc(C)c(C)c2)nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A02 compound treatment 0.446 0.0128 0.61 0.436 0.00706 0.43 0.7336 0.9841 3039810 ChemDiv3_013730 CC(C)N(CCc1ccncc1)C(=S)NCC2CCCO2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A03 compound treatment 0.486 0.0528 2.52 0.482 0.0531 3.19 4.0404 0.9931 3123115 ChemDiv3_013731 COc1ccccc1N2CCN(CC2)C(=O)c3ccc(/C=C/4\Oc5ccccc5NC4=O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A04 compound treatment 0.429 -0.00416 -0.2 0.428 -9.38E-4 -0.06 -0.18 -0.8738 3039812 ChemDiv3_013732 CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A05 compound treatment 0.484 0.0508 2.42 0.482 0.0531 3.19 3.9729 0.9907 3123116 ChemDiv3_013733 CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccccc3OC)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A06 compound treatment 0.53 0.0968 4.62 0.52 0.0911 5.48 7.1413 0.9963 3123117 ChemDiv3_013734 Fc1ccc(CN2C(=O)/C(=C/c3ccccc3)/Sc4ccc(cc24)C(=O)NCC5CCCO5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A07 compound treatment 0.422 -0.0112 -0.53 0.419 -0.00994 -0.6 -0.7991 -0.9983 3039815 ChemDiv3_013735 O=C(CCN1N=C(CCC1=O)c2ccccc2)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A08 compound treatment 0.436 0.00284 0.14 0.427 -0.00194 -0.12 0.0134 0.0747 3123118 ChemDiv3_013736 CCN1CCN(CC1)C(=O)c2ccc(/C=C\3/Sc4ccccc4N(Cc5ccccc5C)C3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A09 compound treatment 0.454 0.0208 0.99 0.446 0.0171 1.03 1.429 0.9999 3039817 ChemDiv3_013737 COc1ccc(Nc2cc(C(=O)NCCCN3CCCC3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A10 compound treatment 0.526 0.0928 4.43 0.5 0.0711 4.28 6.155 0.9999 3039869 ChemDiv3_013738 CCCNC(=O)c1ccc2S/C(=C\c3ccccc3)/C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A11 compound treatment 0.432 -0.00116 -0.06 0.43 0.00106 0.06 0.0063 0.0741 3039870 ChemDiv3_013739 Cc1cccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCCC3=CCCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A12 compound treatment 0.468 0.0348 1.66 0.471 0.0421 2.53 2.9653 0.9791 3039872 ChemDiv3_013740 CCOC(=O)N1CCc2c(C(=O)Nc3ccc(OC)cc3OC)c(NCc4cccnc4)sc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A13 compound treatment 0.431 -0.00216 -0.1 0.421 -0.00794 -0.48 -0.4106 -0.84 3039873 ChemDiv3_013741 O=C(NC1CC1)c2ccc(CS(=O)c3ccccc3)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A14 compound treatment 0.436 0.00284 0.14 0.44 0.0111 0.67 0.5668 0.8339 3039875 ChemDiv3_013742 Fc1ccc(CNC(=O)CC2CC3CCC2C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A15 compound treatment 0.435 0.00184 0.09 0.425 -0.00394 -0.24 -0.1055 -0.4172 3039876 ChemDiv3_013743 Fc1cccc(CSCc2ccc(o2)C(=O)NC3CC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A16 compound treatment 0.452 0.0188 0.9 0.448 0.0191 1.15 1.4468 0.9926 3123119 ChemDiv3_013744 FC(F)(F)c1ccccc1CNC(=O)c2ccc3ccccc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A17 compound treatment 0.442 0.00884 0.42 0.428 -9.38E-4 -0.06 0.2582 0.607 3039878 ChemDiv3_013745 CN(CCN1CCOCC1)C2CCN(CC2)C(=S)Nc3ccc(C)c(C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A18 compound treatment 0.445 0.0118 0.56 0.457 0.0281 1.69 1.594 0.8948 3123120 ChemDiv3_013746 CSc1ncccc1C(=O)Nc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A19 compound treatment 0.42 -0.0132 -0.63 0.431 0.00206 0.12 -0.3557 -0.5563 3123301 ChemDiv3_013747 O=C(CN1CCOc2ccccc12)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A20 compound treatment 0.438 0.00484 0.23 0.424 -0.00494 -0.3 -0.0469 -0.1247 3039880 ChemDiv3_013748 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)Cc3cccc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A21 compound treatment 0.446 0.0128 0.61 0.416 -0.0129 -0.78 -0.1179 -0.119 3123302 ChemDiv3_013749 CSc1cccc(NC(=S)N(CCc2ccncc2)C(C)C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A22 compound treatment 0.441 0.00784 0.37 0.443 0.0141 0.85 0.8631 0.9325 3039882 ChemDiv3_013750 Cc1ccc(cc1)C(=O)CCC(=O)NC2=NCCS2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A23 mock treatment 0.43 -0.00316 -0.15 0.426 -0.00294 -0.18 -0.2315 -0.9968 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 A24 mock treatment 0.432 -0.00116 -0.06 0.411 -0.0179 -1.08 -0.8027 -0.7422 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B01 compound treatment 0.455 0.0218 1.04 0.438 0.00906 0.55 1.1221 0.9545 3123303 ChemDiv3_013751 O=C(CCCC(=O)c1ccccc1)Nc2nc[nH]n2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B02 compound treatment 0.514 0.0808 3.85 0.525 0.0961 5.78 6.8149 0.9805 3123304 ChemDiv3_013752 COC(=O)C1=CN(C=C(C1c2ccc(cc2)C(C)C)C(=O)OC)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B03 compound treatment 0.491 0.0578 2.76 0.481 0.0521 3.13 4.1663 0.998 3039884 ChemDiv3_013753 O=C(CCC(=O)c1ccccc1)Nc2ccc(cc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B04 compound treatment 0.515 0.0818 3.9 0.515 0.0861 5.18 6.4228 0.9902 1152542 ChemDiv3_013754 CCOC(=O)c1sc2ncnc(Nc3ccc(OCC)cc3)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B05 compound treatment 0.463 0.0298 1.42 0.458 0.0291 1.75 2.2433 0.9947 3039887 ChemDiv3_013755 COc1ccc(cc1)C(=O)CCC(=O)NC2=NCCS2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B06 compound treatment 0.372 -0.0612 -2.92 0.365 -0.0639 -3.85 -4.7836 -0.9906 1277091 ChemDiv3_013756 CC(C)N(C(C)C)C(=O)Cc1c(O)c2ccccc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B07 compound treatment 0.449 0.0158 0.76 0.444 0.0151 0.91 1.1753 0.9959 3039889 ChemDiv3_013757 Cc1ccc(C)c(NC(=O)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B08 compound treatment 0.453 0.0198 0.95 0.449 0.0201 1.21 1.523 0.9927 3123305 ChemDiv3_013758 CCCCn1c(=O)c(c(O)c2ccccc12)[n+]3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B09 compound treatment 0.45 0.0168 0.8 0.449 0.0201 1.21 1.4219 0.9803 1250014 ChemDiv3_013759 CCOC(=O)c1c(C)n(CCc2c[nH]c3ccccc23)c(C)c1C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B10 compound treatment 0.451 0.0178 0.85 0.446 0.0171 1.03 1.3279 0.9956 1390876 ChemDiv3_013760 CCOc1ccc(CCNC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B11 compound treatment 0.625 0.192 9.15 0.616 0.187 11.26 14.4307 0.9947 3123306 ChemDiv3_013761 CN1/C(=C\C(=O)c2cccc(Cl)c2)/C(C)(C)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B12 compound treatment 0.44 0.00684 0.33 0.442 0.0131 0.79 0.7868 0.9241 1369757 ChemDiv3_013762 COc1nc(NCC=C)nc(Nc2ccc(Cl)cc2)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B13 compound treatment 0.445 0.0118 0.56 0.444 0.0151 0.91 1.0405 0.974 3039948 ChemDiv3_013763 O=C(CSc1nnc(c2ccncc2)n1c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B14 compound treatment 0.443 0.00984 0.47 0.441 0.0121 0.73 0.8454 0.9777 1530019 ChemDiv3_013764 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N2CCN(CC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B15 compound treatment 0.387 -0.0462 -2.2 0.377 -0.0519 -3.13 -3.767 -0.9852 1572652 ChemDiv3_013765 CC(C)CCNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B16 compound treatment 0.446 0.0128 0.61 0.448 0.0191 1.15 1.2445 0.9567 1260656 ChemDiv3_013766 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B17 compound treatment 0.42 -0.0132 -0.63 0.42 -0.00894 -0.54 -0.824 -0.9971 3039950 ChemDiv3_013767 CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B18 compound treatment 0.458 0.0248 1.18 0.47 0.0411 2.47 2.5856 0.9432 1376292 ChemDiv3_013768 CN(c1ccccc1)c2ncnc3sc(C(=O)Nc4ccc(F)cc4F)c(C)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B19 compound treatment 0.491 0.0578 2.76 0.495 0.0661 3.98 4.7624 0.984 3123307 ChemDiv3_013769 CCOC(=O)C1=C(Nc2ncnn2C1c3ccc(F)cc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B20 compound treatment 0.456 0.0228 1.09 0.454 0.0251 1.51 1.837 0.9872 3039952 ChemDiv3_013770 O=C(Cn1c(=O)oc2ccccc12)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B21 compound treatment 0.443 0.00984 0.47 0.44 0.0111 0.67 0.8028 0.9853 3123308 ChemDiv3_013771 COc1ccc(cc1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B22 compound treatment 0.433 -1.56E-4 -0.01 0.436 0.00706 0.43 0.2954 0.6946 3039954 ChemDiv3_013772 Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B23 mock treatment 0.445 0.0118 0.56 0.429 6.25E-5 0.0 0.4019 0.7118 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 B24 mock treatment 0.438 0.00484 0.23 0.438 0.00906 0.55 0.5491 0.9268 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C01 compound treatment 0.451 0.0178 0.85 0.454 0.0251 1.51 1.6685 0.9632 3123309 ChemDiv3_013773 Fc1cccc(CN2C(=O)c3ccccc3Sc4ccc(cc24)C(=O)N5CCCCC5)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C02 compound treatment 0.424 -0.00916 -0.44 0.425 -0.00394 -0.24 -0.4763 -0.9589 3123310 ChemDiv3_013774 Cc1ccc(cc1)C2CCN(C2)C(=S)NCC3CCCO3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C03 compound treatment 0.429 -0.00416 -0.2 0.426 -0.00294 -0.18 -0.2652 -0.9984 3039956 ChemDiv3_013775 CCOC(=O)C1CCCN(C1)C(=O)c2ccc(/C=C/3\Oc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C04 compound treatment 0.429 -0.00416 -0.2 0.418 -0.0109 -0.66 -0.6058 -0.8808 3123311 ChemDiv3_013776 CN1C(=O)CS(=O)c2ccc(cc12)C(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C05 compound treatment 0.482 0.0488 2.33 0.468 0.0391 2.35 3.3095 1.0 3123312 ChemDiv3_013777 CCN1CCCc2cc(CN(C3CCCC3)C(=S)Nc4ccc(OC)cc4)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C06 compound treatment 0.598 0.165 7.86 0.586 0.157 9.46 12.2434 0.9958 3123313 ChemDiv3_013778 COc1ccc(/C=C\2/Sc3ccc(cc3NC2=O)C(=O)NC4CCCc5ccccc45)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C07 compound treatment 0.415 -0.0182 -0.87 0.42 -0.00894 -0.54 -0.9925 -0.9739 3039959 ChemDiv3_013779 CC(C)N(CCCn1cccc1)C(=S)Nc2cccc(c2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C08 compound treatment 0.433 -1.56E-4 -0.01 0.431 0.00206 0.12 0.0825 0.6635 3039961 ChemDiv3_013780 COc1ccccc1c2c(C)nn3c(cc(C)nc23)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C09 compound treatment 0.419 -0.0142 -0.67 0.419 -0.00994 -0.6 -0.9003 -0.9982 3123314 ChemDiv3_013781 O=C(CCN1N=C(CCC1=O)c2ccccc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C10 compound treatment 0.422 -0.0112 -0.53 0.421 -0.00794 -0.48 -0.714 -0.9986 3123315 ChemDiv3_013782 COc1ccc(cc1OC)C2OC(=O)CC2C(=O)NC3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C11 compound treatment 0.42 -0.0132 -0.63 0.418 -0.0109 -0.66 -0.9091 -0.9997 3039963 ChemDiv3_013783 Cc1cccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCCCN3CCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C12 compound treatment 0.427 -0.00616 -0.29 0.425 -0.00394 -0.24 -0.3752 -0.9944 1503664 ChemDiv3_013784 COc1cccc2C3CC(=NN3C4(CCCCC4)Oc12)c5ccco5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C13 compound treatment 0.443 0.00984 0.47 0.442 0.0131 0.79 0.8879 0.9695 3123316 ChemDiv3_013785 Cc1cc(N2CCN(CC2)c3ccccc3)n4nc(cc4n1)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C14 compound treatment 0.425 -0.00816 -0.39 0.421 -0.00794 -0.48 -0.6129 -0.9948 3039966 ChemDiv3_013786 CCOc1ccc(NC(=O)CC2CC3CCC2C3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C15 compound treatment 0.447 0.0138 0.66 0.445 0.0161 0.97 1.1505 0.9826 3123317 ChemDiv3_013787 COC(CN(C)c1cc(C)nc2c(c(C)nn12)c3ccc(Cl)cc3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C16 compound treatment 0.457 0.0238 1.14 0.448 0.0191 1.15 1.6153 1.0 1340676 ChemDiv3_013788 Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C17 compound treatment 0.426 -0.00716 -0.34 0.426 -0.00294 -0.18 -0.3663 -0.9532 3038835 ChemDiv3_013789 COc1ccc(cc1)C2=NN(CCC(=O)NCCN3CCN(CC3)c4cccc(Cl)c4)C(=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C18 compound treatment 0.434 8.44E-4 0.04 0.429 6.25E-5 0.0 0.0311 0.7699 3038751 ChemDiv3_013790 CSc1ncccc1C(=O)Nc2ccccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C19 compound treatment 0.425 -0.00816 -0.39 0.418 -0.0109 -0.66 -0.7406 -0.9684 3038753 ChemDiv3_013791 CC(C)CCNC(=O)CN1CCOc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C20 compound treatment 0.478 0.0448 2.14 0.463 0.0341 2.05 2.9618 0.9998 3038754 ChemDiv3_013792 Clc1cc(NC(=O)Cc2cccc3ccccc23)ccc1N4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C21 compound treatment 0.428 -0.00516 -0.25 0.421 -0.00794 -0.48 -0.5117 -0.9522 3038756 ChemDiv3_013793 CCc1ccccc1NC(=S)N(CCc2ccncc2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C22 compound treatment 0.424 -0.00916 -0.44 0.418 -0.0109 -0.66 -0.7743 -0.98 3038757 ChemDiv3_013794 Cc1nnc(NC(=O)CCC(=O)c2ccc(C)cc2)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C23 mock treatment 0.419 -0.0142 -0.67 0.409 -0.0199 -1.2 -1.326 -0.9629 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 C24 mock treatment 0.421 -0.0122 -0.58 0.415 -0.0139 -0.84 -1.0031 -0.9837 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D01 compound treatment 0.518 0.0848 4.04 0.506 0.0771 4.64 6.1408 0.9977 3038759 ChemDiv3_013795 Cc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D02 compound treatment 0.535 0.102 4.85 0.518 0.0891 5.36 7.2247 0.9988 3038761 ChemDiv3_013796 CCOC(=O)C1=CN(C)C=C(C1c2cccc(OCc3ccccc3)c2)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D03 compound treatment 0.504 0.0708 3.38 0.501 0.0721 4.34 5.456 0.9923 3123318 ChemDiv3_013797 Brc1ccc(o1)C(=O)Nc2ccc(cc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D04 compound treatment 0.44 0.00684 0.33 0.438 0.00906 0.55 0.6165 0.9698 1126343 ChemDiv3_013798 CCOC(CNc1nc(C)nc2sc3CCCCc3c12)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D05 compound treatment 0.452 0.0188 0.9 0.448 0.0191 1.15 1.4468 0.9926 3123319 ChemDiv3_013799 COc1ccc(NC(=O)CCC(=O)c2ccc(OC)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D06 compound treatment 0.374 -0.0592 -2.82 0.375 -0.0539 -3.25 -4.2904 -0.9975 1647698 ChemDiv3_013800 CCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D07 compound treatment 0.447 0.0138 0.66 0.439 0.0101 0.61 0.895 0.9991 3123320 ChemDiv3_013801 COc1ccc(CNC(=O)c2cccs2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D08 compound treatment 0.444 0.0108 0.52 0.434 0.00506 0.3 0.5811 0.9683 3123321 ChemDiv3_013802 CC(C)Cn1c(=O)c(c(O)c2ccccc12)[n+]3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D09 compound treatment 0.43 -0.00316 -0.15 0.411 -0.0179 -1.08 -0.8701 -0.7979 3038765 ChemDiv3_013803 CCOC(=O)C1=C(C)NN=C(C)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D10 compound treatment 0.438 0.00484 0.23 0.425 -0.00394 -0.24 -0.0044 -0.0132 1661248 ChemDiv3_013804 O=C(CCn1c(=S)oc2ccccc12)NN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D11 compound treatment 0.444 0.0108 0.52 0.438 0.00906 0.55 0.7514 0.9996 3123322 ChemDiv3_013805 CS(=O)(=O)N1CCC(CC1)c2noc(n2)c3ccc(cc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D12 compound treatment 0.434 8.44E-4 0.04 0.433 0.00406 0.24 0.2014 0.8125 1237741 ChemDiv3_013806 COc1nc(NCCO)nc(Nc2ccc(I)cc2C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D13 compound treatment 0.433 -1.56E-4 -0.01 0.439 0.0101 0.61 0.4231 0.6984 1602373 ChemDiv3_013807 COc1ccc(Cl)cc1NC(=O)c2sc3nc(C)n(C)c(=O)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D14 compound treatment 0.432 -0.00116 -0.06 0.438 0.00906 0.55 0.3469 0.6325 3123323 ChemDiv3_013808 OC1(CCN(CC1)S(=O)(=O)c2cccc3nsnc23)c4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D15 compound treatment 0.415 -0.0182 -0.87 0.407 -0.0219 -1.32 -1.546 -0.979 1246763 ChemDiv3_013809 CCN(c1cccc(C)c1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D16 compound treatment 0.446 0.0128 0.61 0.443 0.0141 0.85 1.0316 0.9873 1438389 ChemDiv3_013810 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)N4CCC5(CC4)OCCO5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D17 compound treatment 0.464 0.0308 1.47 0.443 0.0141 0.85 1.6384 0.9656 3120269 ChemDiv3_013811 COc1cccc(c1)C2C=C(Nc3ncnn23)c4cccc(OC)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D18 compound treatment 0.439 0.00584 0.28 0.435 0.00606 0.37 0.4551 0.9911 1315940 ChemDiv3_013812 Cc1n[nH]c2nc(SCC(=O)NCC3CCCO3)n(c4ccc(C)c(Cl)c4)c(=N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D19 compound treatment 0.438 0.00484 0.23 0.44 0.0111 0.67 0.6343 0.8997 1259774 ChemDiv3_013813 CCOC(=O)C1=C(C)Nc2ncnn2C1c3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D20 compound treatment 0.424 -0.00916 -0.44 0.423 -0.00594 -0.36 -0.5614 -0.9951 3038770 ChemDiv3_013814 O=C(Cn1c(=O)oc2ccccc12)NCc3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D21 compound treatment 0.435 0.00184 0.09 0.439 0.0101 0.61 0.4906 0.8013 1440355 ChemDiv3_013815 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(O)cc3)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D22 compound treatment 0.427 -0.00616 -0.29 0.428 -9.38E-4 -0.06 -0.2474 -0.8279 3038837 ChemDiv3_013816 Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc2ccc(C)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D23 mock treatment 0.437 0.00384 0.18 0.434 0.00506 0.3 0.3451 0.9703 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 D24 mock treatment 0.426 -0.00716 -0.34 0.428 -9.38E-4 -0.06 -0.2811 -0.8131 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E01 compound treatment 0.46 0.0268 1.28 0.465 0.0361 2.17 2.4402 0.9682 3038838 ChemDiv3_013817 CN(Cc1ccco1)C(=O)c2ccc3Sc4ccccc4C(=O)N(Cc5cccc(F)c5)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E02 compound treatment 0.437 0.00384 0.18 0.445 0.0161 0.97 0.8134 0.8264 3038839 ChemDiv3_013818 CC(N1CCC(CNC(=O)Nc2ccc(Cl)cc2)C1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E03 compound treatment 0.438 0.00484 0.23 0.439 0.0101 0.61 0.5917 0.9126 3120270 ChemDiv3_013819 CC1CCN(CCCNC(=O)c2ccc(/C=C/3\Oc4ccccc4NC3=O)cc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E04 compound treatment 0.443 0.00984 0.47 0.431 0.00206 0.12 0.4196 0.8645 3038842 ChemDiv3_013820 CC(CCc1ccccc1)NC(=O)c2cc3c(C)nccc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E05 compound treatment 0.459 0.0258 1.23 0.456 0.0271 1.63 2.0233 0.9905 3120271 ChemDiv3_013821 Cc1cccc(N2CCN(CC2)C(=O)CN3C(=O)/C(=C\c4cccc(F)c4)/Oc5ccccc35)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E06 compound treatment 0.471 0.0378 1.8 0.47 0.0411 2.47 3.0238 0.988 3038844 ChemDiv3_013822 Cc1ccccc1CN2C(=O)/C(=C\c3ccc(cc3)C(=O)N4CCOCC4)/Sc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E07 compound treatment 0.515 0.0818 3.9 0.509 0.0801 4.82 6.1674 0.9945 3120272 ChemDiv3_013823 CC1CC(C)CN(C1)C(=O)c2cc(Nc3cccc(c3)C(F)(F)F)nc4ccccc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E08 compound treatment 0.456 0.0228 1.09 0.446 0.0171 1.03 1.4964 0.9996 3120273 ChemDiv3_013824 Clc1ccccc1c2cc(=O)n(CC(=O)NCc3cccs3)c4CCCc42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E09 compound treatment 0.531 0.0978 4.66 0.516 0.0871 5.24 7.0047 0.9983 3038846 ChemDiv3_013825 Cn1cc(CN(Cc2ccccc2)C(=O)Nc3ccccc3)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E10 compound treatment 0.471 0.0378 1.8 0.464 0.0351 2.11 2.7684 0.9969 3120274 ChemDiv3_013826 Cc1oc(nc1CS(=O)CC(=O)Nc2ccc(C)cc2)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E11 compound treatment 0.446 0.0128 0.61 0.435 0.00606 0.37 0.691 0.9695 3038848 ChemDiv3_013827 O=C(CCN1N=C(CCC1=O)c2ccccc2)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E12 compound treatment 0.555 0.122 5.81 0.545 0.116 6.99 9.0484 0.9958 1567917 ChemDiv3_013828 COc1ccc(cc1)C2=NN3C(C2)c4cccc(OC)c4OC3(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E13 compound treatment 0.479 0.0458 2.19 0.484 0.0551 3.32 3.8896 0.9795 3120275 ChemDiv3_013829 CCN(CC)C(=O)c1ccc2S/C(=C\c3ccccc3)/C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E14 compound treatment 0.434 8.44E-4 0.04 0.44 0.0111 0.67 0.4994 0.7484 3038850 ChemDiv3_013830 Ic1ccccc1NC(=O)CC2CC3CCC2C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E15 compound treatment 0.441 0.00784 0.37 0.432 0.00306 0.18 0.3948 0.9469 3120276 ChemDiv3_013831 Cc1ccc(cc1N2CCCC2=O)C(=O)NC3CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E16 compound treatment 0.484 0.0508 2.42 0.475 0.0461 2.77 3.6749 0.9977 3038853 ChemDiv3_013832 CC(CCc1ccccc1)NC(=O)c2ccc3ccccc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E17 compound treatment 0.481 0.0478 2.28 0.459 0.0301 1.81 2.8926 0.9934 3120277 ChemDiv3_013833 CCCN(CCC)C(=O)c1ccc2S(=O)c3ccccc3C(=O)N(Cc4ccccc4C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E18 compound treatment 0.455 0.0218 1.04 0.445 0.0161 0.97 1.4202 0.9993 3038854 ChemDiv3_013834 CSc1ncccc1C(=O)NCc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E19 compound treatment 0.45 0.0168 0.8 0.437 0.00806 0.49 0.911 0.971 3120278 ChemDiv3_013835 CC1CCCC(NC(=O)c2cc(C)nn2c3ccccc3)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E20 compound treatment 0.488 0.0548 2.61 0.469 0.0401 2.41 3.5543 0.9992 3038856 ChemDiv3_013836 Fc1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E21 compound treatment 0.443 0.00984 0.47 0.437 0.00806 0.49 0.6751 0.9999 3120279 ChemDiv3_013837 OC(=O)CNC(=O)/C=C/c1ccccc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E22 compound treatment 0.476 0.0428 2.04 0.466 0.0371 2.23 3.0221 0.999 3120280 ChemDiv3_013838 Cc1ccc(cc1)C(=O)CCC(=O)Nc2ccc(Br)c(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E23 mock treatment 0.429 -0.00416 -0.2 0.427 -0.00194 -0.12 -0.2226 -0.9681 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 E24 mock treatment 0.443 0.00984 0.47 0.429 6.25E-5 0.0 0.3345 0.7128 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F01 compound treatment 0.494 0.0608 2.9 0.508 0.0791 4.76 5.417 0.9718 3038914 ChemDiv3_013839 Brc1ccc2nc(NC(=O)CCCC(=O)c3ccccc3)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F02 compound treatment 0.445 0.0118 0.56 0.439 0.0101 0.61 0.8276 0.9994 1660423 ChemDiv3_013840 CCNC(=O)c1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F03 compound treatment 0.496 0.0628 3.0 0.504 0.0751 4.52 5.3141 0.9801 3038916 ChemDiv3_013841 O=C(NC(c1ccccc1)c2ccccc2)/C=C/c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F04 compound treatment 0.484 0.0508 2.42 0.479 0.0501 3.01 3.8452 0.9942 1410790 ChemDiv3_013842 CC1CC(C)CN(C1)c2ncnc3scc(c4ccccc4)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F05 compound treatment 0.449 0.0158 0.76 0.449 0.0201 1.21 1.3882 0.9744 3038918 ChemDiv3_013843 O=C(CN1C(=O)c2ccccc2C1=O)NC3=NCCS3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F06 compound treatment 0.565 0.132 6.28 0.558 0.129 7.77 9.9389 0.9945 1203378 ChemDiv3_013844 CCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F07 compound treatment 0.566 0.133 6.33 0.557 0.128 7.71 9.9301 0.9952 1167902 ChemDiv3_013845 CCOC(=O)c1sc2nc(Cc3ccccc3)nc(NCCC4=CCCCC4)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F08 compound treatment 0.472 0.0388 1.85 0.472 0.0431 2.59 3.1427 0.9864 1247758 ChemDiv3_013846 Clc1ccccc1CSc2ncccc2C(=O)NCCC3=CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F09 compound treatment 0.466 0.0328 1.57 0.456 0.0271 1.63 2.2593 0.9998 3038921 ChemDiv3_013847 CCCC(=O)c1c(O)c2ccccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F10 compound treatment 0.503 0.0698 3.33 0.5 0.0711 4.28 5.3797 0.9923 3120281 ChemDiv3_013848 Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc4cccc(c4)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F11 compound treatment 0.488 0.0548 2.61 0.483 0.0541 3.26 4.1504 0.9941 3038923 ChemDiv3_013849 Cc1ccc(cc1)c2nc(no2)C3CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F12 compound treatment 0.504 0.0708 3.38 0.497 0.0681 4.1 5.2857 0.9954 1271470 ChemDiv3_013850 CCOc1nc(NC2CCCCC2)nc(Nc3ccc(I)cc3C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F13 compound treatment 0.451 0.0178 0.85 0.445 0.0161 0.97 1.2853 0.998 1253344 ChemDiv3_013851 CC(C)CCNC(=O)c1sc2ncnc(N3CCOCC3)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F14 compound treatment 0.455 0.0218 1.04 0.445 0.0161 0.97 1.4202 0.9993 1131974 ChemDiv3_013852 O=S(=O)(N1CCCCC1)c2cccc3nsnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F15 compound treatment 0.445 0.0118 0.56 0.431 0.00206 0.12 0.487 0.8425 1344022 ChemDiv3_013853 CC(C)CCNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F16 compound treatment 0.451 0.0178 0.85 0.449 0.0201 1.21 1.4556 0.9853 1414503 ChemDiv3_013854 COC(CNC(=O)c1ccc2n(cnc2c1)c3ccc(F)cc3F)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F17 compound treatment 0.574 0.141 6.71 0.546 0.117 7.05 9.7314 0.9997 3120282 ChemDiv3_013855 CCc1ccc(cc1)C2=CC(c3ccc(SC)cc3)n4nnnc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F18 compound treatment 0.494 0.0608 2.9 0.501 0.0721 4.34 5.1189 0.9808 1418586 ChemDiv3_013856 COc1ccccc1NC(=O)CSc2nc3[nH]nc(C)c3c(=N)n2c4ccc(C)c(Cl)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F19 compound treatment 0.498 0.0648 3.09 0.485 0.0561 3.38 4.5726 0.999 3039096 ChemDiv3_013857 Fc1ccccc1/C=C/2\CCCC3=C2Nc4ncnn4C3c5ccccc5F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F20 compound treatment 0.477 0.0438 2.09 0.48 0.0511 3.07 3.6518 0.9823 3039097 ChemDiv3_013858 Cc1cc2c(=O)n(CC(=O)Nc3ccc(F)cc3F)cnc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F21 compound treatment 0.477 0.0438 2.09 0.475 0.0461 2.77 3.439 0.9903 3039098 ChemDiv3_013859 COC(=O)C1=CN(C)C=C(C1c2ccc(cc2)C(C)C)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F22 compound treatment 0.469 0.0358 1.71 0.458 0.0291 1.75 2.4455 0.9999 3039099 ChemDiv3_013860 O=C(Nc1ccc2OCOc2c1)C3CCC(CNC(=O)c4ccc(=O)[nH]c4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F23 mock treatment 0.434 8.44E-4 0.04 0.432 0.00306 0.18 0.1588 0.8416 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 F24 mock treatment 0.443 0.00984 0.47 0.442 0.0131 0.79 0.8879 0.9695 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G01 compound treatment 0.436 0.00284 0.14 0.447 0.0181 1.09 0.8649 0.7891 3039100 ChemDiv3_013861 Clc1cccc(CSCc2ccc(o2)C(=O)NCc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G02 compound treatment 0.446 0.0128 0.61 0.438 0.00906 0.55 0.8188 0.9983 3039101 ChemDiv3_013862 CC(N1CCC(CNC(=S)Nc2ccc(C)cc2)C1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G03 compound treatment 0.456 0.0228 1.09 0.452 0.0231 1.39 1.7519 0.9928 3120283 ChemDiv3_013863 O=C(NC1CCCCC1)c2ccc(/C=C/3\Oc4ccccc4NC3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G04 compound treatment 0.44 0.00684 0.33 0.44 0.0111 0.67 0.7017 0.9461 3039102 ChemDiv3_013864 Cc1ccc(CCNC(=O)c2cc3c(C)nccc3[nH]c2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G05 compound treatment 0.537 0.104 4.95 0.52 0.0911 5.48 7.3773 0.9987 3120284 ChemDiv3_013865 CCOc1ccc(Nc2cc(C(=O)NCc3ccc(F)cc3)c4ccccc4n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G06 compound treatment 0.585 0.152 7.24 0.566 0.137 8.25 10.9537 0.9979 3120285 ChemDiv3_013866 Cc1ccccc1CN2C(=O)/C(=C\c3ccc(cc3)C(=O)NCc4ccco4)/Sc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G07 compound treatment 0.441 0.00784 0.37 0.446 0.0171 1.03 0.9908 0.9063 3039103 ChemDiv3_013867 O=C(CCN1N=C(CCC1=O)c2ccccc2)NCCCN3CCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G08 compound treatment 0.49 0.0568 2.71 0.481 0.0521 3.13 4.1326 0.9974 3120286 ChemDiv3_013868 Cc1ccc(cc1)c2nn(CC(=O)NC3CCCc4ccccc34)c(=O)c5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G09 compound treatment 0.438 0.00484 0.23 0.432 0.00306 0.18 0.2937 0.9938 3039104 ChemDiv3_013869 Fc1ccc(CN2CCCN(CC(=O)NC3CCCCCC3)C2=O)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G10 compound treatment 0.439 0.00584 0.28 0.437 0.00806 0.49 0.5402 0.9652 3120287 ChemDiv3_013870 Fc1cc(Br)ccc1NC(=O)CSCCc2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G11 compound treatment 0.487 0.0538 2.57 0.489 0.0601 3.62 4.3721 0.9859 3120288 ChemDiv3_013871 O=C(CN1C(=O)/C(=C\c2ccccc2)/Oc3ccccc13)NC4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G12 compound treatment 0.445 0.0118 0.56 0.443 0.0141 0.85 0.9979 0.9806 3039105 ChemDiv3_013872 OCc1nc2cc(ccc2[nH]1)S(=O)(=O)c3ccc4[nH]c(CO)nc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G13 compound treatment 0.438 0.00484 0.23 0.433 0.00406 0.24 0.3362 0.9996 3120467 ChemDiv3_013873 Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G14 compound treatment 0.435 0.00184 0.09 0.434 0.00506 0.3 0.2777 0.8753 3039106 ChemDiv3_013874 CC(=O)Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G15 compound treatment 0.499 0.0658 3.14 0.497 0.0681 4.1 5.1172 0.9913 3120468 ChemDiv3_013875 O=C(NCc1ccccc1)c2ccc3S/C(=C\c4ccccc4)/C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G16 compound treatment 0.448 0.0148 0.71 0.44 0.0111 0.67 0.9713 0.9995 3120469 ChemDiv3_013876 Oc1ccc(CCNC(=O)c2ccc3ccccc3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G17 compound treatment 0.568 0.135 6.43 0.567 0.138 8.31 10.4232 0.9919 3039107 ChemDiv3_013877 COc1ccc(/C=C\2/Sc3ccc(cc3NC2=O)C(=O)N(C)C4CCCCC4)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G18 compound treatment 0.454 0.0208 0.99 0.445 0.0161 0.97 1.3865 0.9999 3120470 ChemDiv3_013878 COc1ccc(NC(=O)c2cccnc2SC)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G19 compound treatment 0.439 0.00584 0.28 0.435 0.00606 0.37 0.4551 0.9911 3120471 ChemDiv3_013879 CCOc1ccc(NC(=O)N(CCc2ccncc2)C(C)C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G20 compound treatment 0.467 0.0338 1.61 0.46 0.0311 1.87 2.4633 0.9973 1408397 ChemDiv3_013880 COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G21 compound treatment 0.443 0.00984 0.47 0.433 0.00406 0.24 0.5048 0.9539 3120472 ChemDiv3_013881 Cc1ccc(cc1)C2CCN(C2)C(=S)Nc3ccccc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G22 compound treatment 0.527 0.0938 4.47 0.505 0.0761 4.58 6.4016 0.9999 3039108 ChemDiv3_013882 Cc1ccc(cc1)C(=O)CCC(=O)Nc2cccc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G23 mock treatment 0.43 -0.00316 -0.15 0.426 -0.00294 -0.18 -0.2315 -0.9968 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 G24 mock treatment 0.435 0.00184 0.09 0.426 -0.00294 -0.18 -0.0629 -0.3186 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H01 compound treatment 0.447 0.0138 0.66 0.443 0.0141 0.85 1.0653 0.9924 3120473 ChemDiv3_013883 Oc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H02 compound treatment 0.428 -0.00516 -0.25 0.433 0.00406 0.24 -8.0E-4 -0.0024 1419333 ChemDiv3_013884 CNC(=O)c1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N3CCC(C)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H03 compound treatment 0.444 0.0108 0.52 0.446 0.0171 1.03 1.0919 0.9495 3039109 ChemDiv3_013885 FC(F)(F)c1ccccc1CNC(=O)/C=C/c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H04 compound treatment 0.43 -0.00316 -0.15 0.432 0.00306 0.18 0.024 0.1008 1637040 ChemDiv3_013886 CCN(CC)c1nc(nc2ccccc12)c3ccccc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H05 compound treatment 0.446 0.0128 0.61 0.437 0.00806 0.49 0.7762 0.9934 3120474 ChemDiv3_013887 CC1(CC2CC(C)(C)C1)CN2C(=O)CN3C(=O)c4ccccc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H06 compound treatment 0.491 0.0578 2.76 0.48 0.0511 3.07 4.1237 0.9985 1451213 ChemDiv3_013888 CCc1nc2ccccc2c(=O)n1NC(=O)c3c(O)c4ccccc4n(CC)c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H07 compound treatment 0.469 0.0358 1.71 0.457 0.0281 1.69 2.403 1.0 1557141 ChemDiv3_013889 Clc1ccccc1N2C(=O)C(Cc3c[nH]c4ccccc34)NC2=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H08 compound treatment 0.442 0.00884 0.42 0.441 0.0121 0.73 0.8117 0.9665 1415454 ChemDiv3_013890 COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H09 compound treatment 0.47 0.0368 1.76 0.453 0.0241 1.45 2.2664 0.9954 3039110 ChemDiv3_013891 CN1/C(=C\C(=O)C2CCCCC2)/C(C)(C)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H10 compound treatment 0.479 0.0458 2.19 0.47 0.0411 2.47 3.2935 0.9981 3120475 ChemDiv3_013892 CC1CCCCN1c2ncnc3sc(C(=O)NCCC4=CCCCC4)c(C)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H11 compound treatment 0.441 0.00784 0.37 0.44 0.0111 0.67 0.7354 0.9627 3039111 ChemDiv3_013893 COC(=O)c1cc(nc2ccc(C)cc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H12 compound treatment 0.438 0.00484 0.23 0.433 0.00406 0.24 0.3362 0.9996 3120476 ChemDiv3_013894 CCN(CC)C(=O)c1sc2ncn(CC(=O)Nc3cccc(c3)C(F)(F)F)c(=O)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H13 compound treatment 0.416 -0.0172 -0.82 0.415 -0.0139 -0.84 -1.1717 -0.9999 3120477 ChemDiv3_013895 OC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H14 compound treatment 0.438 0.00484 0.23 0.431 0.00206 0.12 0.2511 0.9577 3039112 ChemDiv3_013896 Brc1cc(sc1Br)S(=O)(=O)NCCCN2CCOCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H15 compound treatment 0.374 -0.0592 -2.82 0.366 -0.0629 -3.79 -4.6736 -0.9894 1357362 ChemDiv3_013897 CC1CC(C)CN(C1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC4=CCCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H16 compound treatment 0.443 0.00984 0.47 0.437 0.00806 0.49 0.6751 0.9999 1534773 ChemDiv3_013898 CCCNC(=O)c1ccc2n(cnc2c1)c3cc(OC)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H17 compound treatment 0.45 0.0168 0.8 0.443 0.0141 0.85 1.1665 0.9996 3120478 ChemDiv3_013899 COc1cc(OC)c(cc1OC)C2C3=C(CC(C)(C)CC3=O)Nc4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H18 compound treatment 0.438 0.00484 0.23 0.433 0.00406 0.24 0.3362 0.9996 1703943 ChemDiv3_013900 CCC(C)NC(=O)CSc1nc2[nH]nc(C)c2c(=N)n1c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H19 compound treatment 0.647 0.214 10.19 0.622 0.193 11.62 15.4278 0.9979 1865647 ChemDiv3_013901 COc1ccc(/C=C/2\CCCC3=C2Nc4ncnn4C3c5ccc(OC)cc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H20 compound treatment 0.432 -0.00116 -0.06 0.429 6.25E-5 0.0 -0.0363 -0.6573 1356163 ChemDiv3_013902 COc1ccc(cc1OC)C(=O)NCC2COc3ccccc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H21 compound treatment 0.544 0.111 5.28 0.542 0.113 6.81 8.5499 0.9922 3120480 ChemDiv3_013903 CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C1c3ccc(cc3)C(F)(F)F)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H22 compound treatment 0.439 0.00584 0.28 0.437 0.00806 0.49 0.5402 0.9652 3039113 ChemDiv3_013904 Brc1ccc(NC(=O)CNC(=O)c2ccco2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H23 mock treatment 0.436 0.00284 0.14 0.434 0.00506 0.3 0.3114 0.9334 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 H24 mock treatment 0.421 -0.0122 -0.58 0.427 -0.00194 -0.12 -0.4922 -0.8327 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I01 compound treatment 0.445 0.0118 0.56 0.432 0.00306 0.18 0.5296 0.8917 3120481 ChemDiv3_013905 Clc1cccc(CSCc2ccc(o2)C(=O)NC3CCCC3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I02 compound treatment 0.436 0.00284 0.14 0.435 0.00606 0.37 0.354 0.909 3120482 ChemDiv3_013906 CCN1CCN(CCNC(=O)c2ccc3S/C(=C/c4cccc(Cl)c4)/C(=O)Nc3c2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I03 compound treatment 0.549 0.116 5.52 0.536 0.107 6.45 8.463 0.997 3039114 ChemDiv3_013907 CCC(C)NC(=O)c1ccc(/C=C\2/Sc3ccccc3NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I04 compound treatment 0.434 8.44E-4 0.04 0.43 0.00106 0.06 0.0737 0.975 3120483 ChemDiv3_013908 Cc1nccc2[nH]c(=O)c(cc12)C(=O)NCCCN3CCC(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I05 compound treatment 0.439 0.00584 0.28 0.435 0.00606 0.37 0.4551 0.9911 3039115 ChemDiv3_013909 Fc1ccccc1CN2CCCN(C2)C(=O)Nc3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I06 compound treatment 0.452 0.0188 0.9 0.444 0.0151 0.91 1.2765 1.0 3120484 ChemDiv3_013910 Clc1ccccc1c2cc(=O)n(CC(=O)NC3CC3)c4CCCc42 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I07 compound treatment 0.444 0.0108 0.52 0.445 0.0161 0.97 1.0494 0.9569 3039116 ChemDiv3_013911 O=C(c1ccc(cc1)N2CCCC2=O)n3ccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I08 compound treatment 0.45 0.0168 0.8 0.453 0.0241 1.45 1.5922 0.9612 3120485 ChemDiv3_013912 CC1N=C(c2ccccc2F)c3cc(Cl)ccc3N(Cc4nc(oc4C)c5cccc(C)c5)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I09 compound treatment 0.433 -1.56E-4 -0.01 0.431 0.00206 0.12 0.0825 0.6635 3120486 ChemDiv3_013913 CCOC(=O)c1ccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I10 compound treatment 0.444 0.0108 0.52 0.438 0.00906 0.55 0.7514 0.9996 3039117 ChemDiv3_013914 O=C(CSCCc1ccccn1)Nc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I11 compound treatment 0.542 0.109 5.19 0.539 0.11 6.63 8.3547 0.9927 3120487 ChemDiv3_013915 O=C(CN1C(=O)/C(=C\c2ccccc2)/Oc3ccccc13)NCCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I12 compound treatment 0.55 0.117 5.57 0.566 0.137 8.25 9.7739 0.9817 3039118 ChemDiv3_013916 O=C(CC1CC2CCC1C2)NC(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I13 compound treatment 0.458 0.0248 1.18 0.456 0.0271 1.63 1.9896 0.9877 3120488 ChemDiv3_013917 Cc1nn2c(cc(C)nc2c1c3ccc(Cl)cc3)N4CCN(CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I14 compound treatment 0.502 0.0688 3.28 0.512 0.0831 5.0 5.8569 0.9791 3039119 ChemDiv3_013918 O=C(CCCc1c[nH]c2ccccc12)NC3=NCCS3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I15 compound treatment 0.501 0.0678 3.23 0.503 0.0741 4.46 5.44 0.9876 3120489 ChemDiv3_013919 O=C(NC1CC1)c2ccc3S/C(=C\c4ccccc4)/C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I16 compound treatment 0.442 0.00884 0.42 0.439 0.0101 0.61 0.7265 0.9843 3120658 ChemDiv3_013920 COc1cc(CCC(=O)NC2CCCCC2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I17 compound treatment 0.44 0.00684 0.33 0.438 0.00906 0.55 0.6165 0.9698 3039120 ChemDiv3_013921 COc1ccc(OC)c(/C=C\C(=O)NCC(=O)O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I18 compound treatment 0.435 0.00184 0.09 0.437 0.00806 0.49 0.4054 0.8218 3120659 ChemDiv3_013922 COc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I19 compound treatment 0.441 0.00784 0.37 0.44 0.0111 0.67 0.7354 0.9627 3039121 ChemDiv3_013923 CC(C)N(CCc1ccncc1)C(=O)Nc2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I20 compound treatment 0.434 8.44E-4 0.04 0.434 0.00506 0.3 0.244 0.7935 3120660 ChemDiv3_013924 O=C(Cc1cccc2ccccc12)Nc3cccnc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I21 compound treatment 0.431 -0.00216 -0.1 0.433 0.00406 0.24 0.1003 0.3779 3039122 ChemDiv3_013925 CC(C)NC(=S)N1CCC(C1)c2ccc(C)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I22 compound treatment 0.46 0.0268 1.28 0.464 0.0351 2.11 2.3976 0.9712 3120661 ChemDiv3_013926 Clc1ccc(NC(=O)CCCC(=O)c2ccccc2)nc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I23 mock treatment 0.429 -0.00416 -0.2 0.43 0.00106 0.06 -0.0949 -0.4556 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 I24 mock treatment 0.435 0.00184 0.09 0.429 6.25E-5 0.0 0.0648 0.7367 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J01 compound treatment 0.447 0.0138 0.66 0.443 0.0141 0.85 1.0653 0.9924 3120662 ChemDiv3_013927 CC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J02 compound treatment 0.435 0.00184 0.09 0.435 0.00606 0.37 0.3203 0.853 1226624 ChemDiv3_013928 O=C(Nc1ccccc1C(=O)N2CCCCCC2)c3cccc(c3)S(=O)(=O)N4CCCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J03 compound treatment 0.433 -1.56E-4 -0.01 0.435 0.00606 0.37 0.2528 0.6925 3039123 ChemDiv3_013929 Cc1nn(C)c(C)c1NC(=O)/C=C/c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J04 compound treatment 0.44 0.00684 0.33 0.431 0.00206 0.12 0.3185 0.9124 3039124 ChemDiv3_013930 COc1ccc(cc1)c2cn(c3SCC[n+]23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J05 compound treatment 0.443 0.00984 0.47 0.434 0.00506 0.3 0.5473 0.9782 1657713 ChemDiv3_013931 O=C(CN1C(=O)c2ccccc2C1=O)NCc3ccccn3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J06 compound treatment 0.45 0.0168 0.8 0.447 0.0181 1.09 1.3368 0.9889 1499484 ChemDiv3_013932 CCNC(=O)c1c(O)c2cccc3CCn(c1=O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J07 compound treatment 0.526 0.0928 4.43 0.524 0.0951 5.72 7.1768 0.9919 3039345 ChemDiv3_013933 COC(=O)C1=CN(Cc2ccc(C)cc2)C=C(C1c3ccc(C)s3)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J08 compound treatment 0.431 -0.00216 -0.1 0.432 0.00306 0.18 0.0577 0.2733 1267708 ChemDiv3_013934 COc1ccc(cc1)N2CCN(CC2)C(=O)Cc3nn(C)c(=O)c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J09 compound treatment 0.442 0.00884 0.42 0.438 0.00906 0.55 0.6839 0.9919 3039347 ChemDiv3_013935 CC(C)C(=O)c1c(O)c2ccccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J10 compound treatment 0.45 0.0168 0.8 0.449 0.0201 1.21 1.4219 0.9803 1267288 ChemDiv3_013936 COc1cc(OC)c(NC(=O)c2sc3ncnc(N4CCCCC4C)c3c2C)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J11 compound treatment 0.443 0.00984 0.47 0.44 0.0111 0.67 0.8028 0.9853 3039349 ChemDiv3_013937 Oc1nc(CSCC(=O)NC2CCCCCC2)nc3n(Cc4ccc(F)cc4)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J12 compound treatment 0.438 0.00484 0.23 0.436 0.00706 0.43 0.464 0.9588 1131500 ChemDiv3_013938 CCN(CC)c1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J13 compound treatment 0.394 -0.0392 -1.87 0.404 -0.0249 -1.5 -2.3816 -0.9942 1144209 ChemDiv3_013939 CCN(c1ccccc1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC4=CCCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J14 compound treatment 0.44 0.00684 0.33 0.435 0.00606 0.37 0.4888 0.9984 1118892 ChemDiv3_013940 COc1ccccc1n2cnc3cc(ccc23)C(=O)NC4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J15 compound treatment 0.373 -0.0602 -2.87 0.365 -0.0639 -3.85 -4.7498 -0.9895 1196467 ChemDiv3_013941 CC1CC(C)CN(C1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J16 compound treatment 0.471 0.0378 1.8 0.466 0.0371 2.23 2.8535 0.9944 1134270 ChemDiv3_013942 CCCNC(=O)c1ccc2n(cnc2c1)c3ccc(OCc4ccccc4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J17 compound treatment 0.475 0.0418 1.99 0.467 0.0381 2.29 3.031 0.9976 3120663 ChemDiv3_013943 COc1ccc(cc1)C2C3=C(CCCC3=O)Nc4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J18 compound treatment 0.478 0.0448 2.14 0.476 0.0471 2.83 3.5153 0.9903 1702176 ChemDiv3_013944 Cc1n[nH]c2nc(SCC(=O)N3CCCC3)n(c4ccc(Br)cc4)c(=N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J19 compound treatment 0.613 0.18 8.57 0.579 0.15 9.04 12.451 0.9997 1865902 ChemDiv3_013945 Cc1ccc(/C=C/2\CCCC3=C2Nc4nnnn4C3c5ccc(C)cc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J20 compound treatment 0.503 0.0698 3.33 0.498 0.0691 4.16 5.2946 0.9939 1118565 ChemDiv3_013946 O=C(Oc1ccc2sc(=O)oc2c1)c3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J21 compound treatment 0.535 0.102 4.85 0.5 0.0711 4.28 6.4584 0.998 3120665 ChemDiv3_013947 CCOC(=O)C1=CN(C)C=C(C1c2cc(Br)c(O)c(OC)c2)C(=O)OCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J22 compound treatment 0.437 0.00384 0.18 0.426 -0.00294 -0.18 0.0045 0.0177 3039356 ChemDiv3_013948 CCC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)C3(CC3)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J23 mock treatment 0.426 -0.00716 -0.34 0.427 -0.00194 -0.12 -0.3237 -0.8979 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 J24 mock treatment 0.428 -0.00516 -0.25 0.427 -0.00194 -0.12 -0.2563 -0.942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K01 compound treatment 0.438 0.00484 0.23 0.438 0.00906 0.55 0.5491 0.9268 3120666 ChemDiv3_013949 COC(CNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K02 compound treatment 0.531 0.0978 4.66 0.534 0.105 6.33 7.7711 0.9888 3120667 ChemDiv3_013950 COC(CNC(=O)c1ccc(/C=C\2/Sc3ccccc3N(Cc4cccc(C)c4)C2=O)cc1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K03 compound treatment 0.447 0.0138 0.66 0.437 0.00806 0.49 0.8099 0.9886 3039359 ChemDiv3_013951 CC(=O)N1CCC(CC1)N(CCN2CCOCC2)C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K04 compound treatment 0.452 0.0188 0.9 0.448 0.0191 1.15 1.4468 0.9926 3120668 ChemDiv3_013952 CC1CCC(CC1)NC(=O)c2cc3c(C)nccc3[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K05 compound treatment 0.446 0.0128 0.61 0.452 0.0231 1.39 1.4148 0.9323 3039361 ChemDiv3_013953 CCCCN(C1CCN(CC1)C(=O)C)C(=S)Nc2ccccc2CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K06 compound treatment 0.446 0.0128 0.61 0.441 0.0121 0.73 0.9465 0.9964 3039415 ChemDiv3_013954 CCCNC(=O)Cn1c2CCCc2c(cc1=O)c3ccccc3Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K07 compound treatment 0.489 0.0558 2.66 0.488 0.0591 3.56 4.3969 0.9898 3039416 ChemDiv3_013955 Cc1ccc(CN2C(=O)/C(=C\c3ccc(cc3)C(=O)NCc4cccnc4)/Oc5ccccc25)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K08 compound treatment 0.452 0.0188 0.9 0.452 0.0231 1.39 1.6171 0.9778 3039418 ChemDiv3_013956 CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K09 compound treatment 0.453 0.0198 0.95 0.447 0.0181 1.09 1.4379 0.9976 3039419 ChemDiv3_013957 CC(C)CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K10 compound treatment 0.492 0.0588 2.81 0.479 0.0501 3.01 4.1149 0.9994 3039421 ChemDiv3_013958 COc1ccccc1NC(=O)c2c(NCc3sccc3C)sc4CCCCc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K11 compound treatment 0.49 0.0568 2.71 0.483 0.0541 3.26 4.2178 0.9958 3039422 ChemDiv3_013959 Brc1ccccc1/C=C\2/Oc3ccccc3N(CC(=O)NC4CC4)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K12 compound treatment 0.44 0.00684 0.33 0.441 0.0121 0.73 0.7442 0.9348 3120669 ChemDiv3_013960 Cc1cccc(NC(=O)CC2CC3CCC2C3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K13 compound treatment 0.445 0.0118 0.56 0.438 0.00906 0.55 0.7851 0.9999 3120670 ChemDiv3_013961 CCC(C)NC(=O)CCN1N=C(CCC1=O)c2ccc(CC)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K14 compound treatment 0.448 0.0148 0.71 0.453 0.0241 1.45 1.5248 0.9457 3039425 ChemDiv3_013962 FC(F)(F)c1ccccc1CNC(=O)CCCc2c[nH]c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K15 compound treatment 0.433 -1.56E-4 -0.01 0.436 0.00706 0.43 0.2954 0.6946 3120671 ChemDiv3_013963 OC(=O)CNC(=O)/C=C/c1cccc(c1)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K16 compound treatment 0.447 0.0138 0.66 0.454 0.0251 1.51 1.5337 0.9312 3039427 ChemDiv3_013964 COc1cc(CCC(=O)NCc2ccccc2)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K17 compound treatment 0.489 0.0558 2.66 0.496 0.0671 4.04 4.7375 0.9796 3120672 ChemDiv3_013965 COC(CNC(=O)c1ccc2S/C(=C/c3cccc(OC)c3)/C(=O)Nc2c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K18 compound treatment 0.464 0.0308 1.47 0.465 0.0361 2.17 2.575 0.982 3039429 ChemDiv3_013966 Cc1ccc(cc1I)C(=O)Nc2ccc(Br)cc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K19 compound treatment 0.427 -0.00616 -0.29 0.433 0.00406 0.24 -0.0346 -0.0904 3120673 ChemDiv3_013967 CC(C)N(CCc1ccncc1)C(=S)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K20 compound treatment 0.452 0.0188 0.9 0.44 0.0111 0.67 1.1062 0.9892 3120674 ChemDiv3_013968 COc1ccc(C(=O)N(CCc2ccccc2)Cc3ccccc3)c(OC)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K21 compound treatment 0.493 0.0598 2.85 0.483 0.0541 3.26 4.3189 0.9978 3039431 ChemDiv3_013969 Cc1ccc(cc1)C2CCN(C2)C(=S)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K22 compound treatment 0.469 0.0358 1.71 0.459 0.0301 1.81 2.4881 0.9996 3120675 ChemDiv3_013970 O=C(CCCC(=O)c1ccccc1)Nc2ccc3CCCc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K23 mock treatment 0.432 -0.00116 -0.06 0.425 -0.00394 -0.24 -0.2066 -0.8489 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 K24 mock treatment 0.435 0.00184 0.09 0.443 0.0141 0.85 0.6609 0.7763 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L01 compound treatment 0.477 0.0438 2.09 0.46 0.0311 1.87 2.8003 0.9985 3039434 ChemDiv3_013971 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L02 compound treatment 0.457 0.0238 1.14 0.44 0.0111 0.67 1.2747 0.9676 1182957 ChemDiv3_013972 CCN(CC)C(=O)c1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N(CC)CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L03 compound treatment 0.46 0.0268 1.28 0.466 0.0371 2.23 2.4828 0.9652 3039436 ChemDiv3_013973 O=C(NCc1ccco1)/C=C/c2ccco2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L04 compound treatment 0.453 0.0198 0.95 0.447 0.0181 1.09 1.4379 0.9976 1123777 ChemDiv3_013974 CCCn1c(=O)c(C(=O)NC2(CC3CC4CC(C3)C2)C4)c(O)c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L05 compound treatment 0.456 0.0228 1.09 0.447 0.0181 1.09 1.539 1.0 3039438 ChemDiv3_013975 O=C(NC1=NCCS1)c2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L06 compound treatment 0.446 0.0128 0.61 0.443 0.0141 0.85 1.0316 0.9873 3120676 ChemDiv3_013976 NNC(=O)c1c(O)c2CCCCc2[nH]c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L07 compound treatment 0.513 0.0798 3.81 0.502 0.0731 4.4 5.802 0.9974 1158928 ChemDiv3_013977 CCOC(=O)C1=C(C)N(C)C(=C(C1c2ccccc2F)C(=O)OCC)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L08 compound treatment 0.441 0.00784 0.37 0.434 0.00506 0.3 0.4799 0.9949 1153961 ChemDiv3_013978 CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L09 compound treatment 0.45 0.0168 0.8 0.454 0.0251 1.51 1.6348 0.9564 3039500 ChemDiv3_013979 Oc1c(C(=O)CC2CCCCC2)c(=O)oc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L10 compound treatment 0.467 0.0338 1.61 0.468 0.0391 2.35 2.8039 0.9831 1480114 ChemDiv3_013980 CC1CCN(CC1)c2ncnc3sc(C(=O)Nc4ccc(F)cc4F)c(C)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L11 compound treatment 0.45 0.0168 0.8 0.451 0.0221 1.33 1.5071 0.9709 3039502 ChemDiv3_013981 Cc1ccc(cc1Cl)n2c(SCc3ccccc3)nnc2c4cccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L12 compound treatment 0.472 0.0388 1.85 0.466 0.0371 2.23 2.8873 0.9957 1401832 ChemDiv3_013982 CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(C)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L13 compound treatment 0.421 -0.0122 -0.58 0.418 -0.0109 -0.66 -0.8754 -0.998 1393537 ChemDiv3_013983 CCN(c1ccccc1)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C)CC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L14 compound treatment 0.447 0.0138 0.66 0.443 0.0141 0.85 1.0653 0.9924 1519772 ChemDiv3_013984 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)NCc4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L15 compound treatment 0.409 -0.0242 -1.15 0.402 -0.0269 -1.62 -1.9611 -0.9859 1284089 ChemDiv3_013985 CC1CC(C)CN(C1)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC5(CC4)OCCO5)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L16 compound treatment 0.444 0.0108 0.52 0.441 0.0121 0.73 0.8791 0.9861 1380751 ChemDiv3_013986 Fc1cccc(c1)n2cnc3cc(ccc23)C(=O)NCCC4=CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L17 compound treatment 0.472 0.0388 1.85 0.468 0.0391 2.35 2.9724 0.993 3120860 ChemDiv3_013987 Clc1cccc(c1)C2C3=C(CCCC3=O)Nc4nc5ccccc5n24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L18 compound treatment 0.438 0.00484 0.23 0.463 0.0341 2.05 1.6135 0.7818 1653478 ChemDiv3_013988 Cc1n[nH]c2nc(SCc3cc(=O)n4ccccc4n3)n(c5cccc(Cl)c5C)c(=N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L19 compound treatment 0.578 0.145 6.9 0.518 0.0891 5.36 8.6742 0.9922 3120861 ChemDiv3_013989 CC(C)c1ccc(cc1)C2=CC(c3ccc(C)cc3)n4ncnc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L20 compound treatment 0.44 0.00684 0.33 0.443 0.0141 0.85 0.8294 0.9141 3039508 ChemDiv3_013990 FC(F)(F)c1cccc(c1)C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L21 compound treatment 0.559 0.126 6.0 0.541 0.112 6.75 9.0129 0.9983 3120862 ChemDiv3_013991 COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c3ccc(OC)cc3)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L22 compound treatment 0.442 0.00884 0.42 0.431 0.00206 0.12 0.3859 0.8781 3039510 ChemDiv3_013992 Cc1n[nH]c(C)c1S(=O)(=O)N2CCc3ccccc3C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L23 mock treatment 0.441 0.00784 0.37 0.441 0.0121 0.73 0.778 0.9523 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 L24 mock treatment 0.434 8.44E-4 0.04 0.428 -9.38E-4 -0.06 -0.0115 -0.1655 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M01 compound treatment 0.448 0.0148 0.71 0.436 0.00706 0.43 0.801 0.9703 3120863 ChemDiv3_013993 CC(C)CCN(C1CCN(CC1)C(=O)C)C(=O)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M02 compound treatment 0.564 0.131 6.24 0.563 0.134 8.07 10.1181 0.9919 3120864 ChemDiv3_013994 Cc1cccc(CN2C(=O)/C(=C\c3ccc(cc3)C(=O)NCc4cccnc4)/Sc5ccccc25)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M03 compound treatment 0.442 0.00884 0.42 0.442 0.0131 0.79 0.8542 0.9573 3039512 ChemDiv3_013995 COc1ccc(NC(=S)N2CCCN(Cc3ccc(F)cc3)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M04 compound treatment 0.488 0.0548 2.61 0.487 0.0581 3.5 4.3206 0.9898 3120865 ChemDiv3_013996 COc1ccc(/C=C\2/Oc3ccccc3N(CC(=O)NC4CCCc5ccccc45)C2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M05 compound treatment 0.43 -0.00316 -0.15 0.426 -0.00294 -0.18 -0.2315 -0.9968 3039514 ChemDiv3_013997 CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc3ccc4N(CC)CCCc4c3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M06 compound treatment 0.483 0.0498 2.38 0.481 0.0521 3.13 3.8967 0.9907 3120866 ChemDiv3_013998 CCOc1ccc(cc1)c2nc(CSCC(=O)NC3CCCC3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M07 compound treatment 0.436 0.00284 0.14 0.434 0.00506 0.3 0.3114 0.9334 3120867 ChemDiv3_013999 COC(CN(C)C(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N3CCOCC3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M08 compound treatment 0.454 0.0208 0.99 0.454 0.0251 1.51 1.7696 0.9794 3039575 ChemDiv3_014000 O=C(N1CCCC1)c2ccc3S/C(=C\c4ccccc4)/C(=O)Nc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M09 compound treatment 0.391 -0.0422 -2.01 0.395 -0.0339 -2.04 -2.8659 -1.0 3039577 ChemDiv3_014001 O=C(CC1Nc2ccccc2NC1=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M10 compound treatment 0.476 0.0428 2.04 0.476 0.0471 2.83 3.4478 0.9871 3039578 ChemDiv3_014002 CCOC(=O)c1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc4CCCCc24)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M11 compound treatment 0.435 0.00184 0.09 0.434 0.00506 0.3 0.2777 0.8753 3039580 ChemDiv3_014003 Cc1ccccc1NC(=S)N(CCCN2CCCC2)Cc3cccn3Cc4ccc(Cl)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M12 compound treatment 0.486 0.0528 2.52 0.483 0.0541 3.26 4.0829 0.992 3039581 ChemDiv3_014004 FC(F)(F)c1ccccc1CNC(=O)CC2CC3CCC2C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M13 compound treatment 0.491 0.0578 2.76 0.494 0.0651 3.92 4.7198 0.9852 3120868 ChemDiv3_014005 NC(=O)C1CCN(CC1)C(=O)c2ccc(/C=C\3/Oc4ccccc4N(Cc5ccccc5F)C3=O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M14 compound treatment 0.464 0.0308 1.47 0.463 0.0341 2.05 2.4899 0.9867 3039583 ChemDiv3_014006 Fc1ccccc1CCNC(=O)c2ccc3ccccc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M15 compound treatment 0.43 -0.00316 -0.15 0.432 0.00306 0.18 0.024 0.1008 3039585 ChemDiv3_014007 CCc1ccccc1NC(=S)N2CCC(CC2)N(C)CCN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M16 compound treatment 0.444 0.0108 0.52 0.441 0.0121 0.73 0.8791 0.9861 3120869 ChemDiv3_014008 COc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M17 compound treatment 0.575 0.142 6.76 0.599 0.17 10.24 12.0216 0.9797 3120870 ChemDiv3_014009 COc1cccc(/C=C\2/Sc3ccc(cc3NC2=O)C(=O)N4CC(C)CC(C)C4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M18 compound treatment 0.467 0.0338 1.61 0.456 0.0271 1.63 2.293 1.0 3039587 ChemDiv3_014010 Cc1ccc(cc1I)C(=O)NC2CCCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M19 compound treatment 0.44 0.00684 0.33 0.432 0.00306 0.18 0.3611 0.9635 3120871 ChemDiv3_014011 CC(C)N(CCc1ccncc1)C(=S)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M20 compound treatment 0.442 0.00884 0.42 0.433 0.00406 0.24 0.4711 0.9665 3039589 ChemDiv3_014012 COc1ccc(C(=O)NCc2ccccc2)c(OC)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M21 compound treatment 0.431 -0.00216 -0.1 0.43 0.00106 0.06 -0.0274 -0.2267 3120872 ChemDiv3_014013 COc1ccc(cc1OC)C2CCCN2C(=O)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M22 compound treatment 0.444 0.0108 0.52 0.436 0.00706 0.43 0.6662 0.9953 3039591 ChemDiv3_014014 Cc1cc(NC(=O)CCCC(=O)c2ccccc2)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M23 mock treatment 0.443 0.00984 0.47 0.428 -9.38E-4 -0.06 0.2919 0.6176 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 M24 mock treatment 0.439 0.00584 0.28 0.439 0.0101 0.61 0.6254 0.9378 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N01 compound treatment 0.448 0.0148 0.71 0.45 0.0211 1.27 1.3971 0.962 3120873 ChemDiv3_014015 COc1ccc(cc1)N2CCN(CC2)C(=O)CCC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N02 compound treatment 0.511 0.0778 3.71 0.517 0.0881 5.3 6.3732 0.9848 1672196 ChemDiv3_014016 COc1ccc(cc1)C(=O)NC(c2ccc(C)cc2)c3cc(Cl)c4cccnc4c3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N03 compound treatment 0.456 0.0228 1.09 0.451 0.0221 1.33 1.7093 0.9951 1611897 ChemDiv3_014017 Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N04 compound treatment 0.385 -0.0482 -2.3 0.383 -0.0459 -2.77 -3.579 -0.9957 1269317 ChemDiv3_014018 Oc1c(CC(=O)NCc2ccccc2Cl)c(=O)[nH]c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N05 compound treatment 0.502 0.0688 3.28 0.515 0.0861 5.18 5.9846 0.9757 3039594 ChemDiv3_014019 Cc1cc(Br)ccc1NC(=O)c2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N06 compound treatment 0.444 0.0108 0.52 0.44 0.0111 0.67 0.8365 0.9921 3120874 ChemDiv3_014020 CCn1c(=O)c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N07 compound treatment 0.446 0.0128 0.61 0.454 0.0251 1.51 1.5 0.9211 1592049 ChemDiv3_014021 CCOC(=O)C1=C(C)N(C)C(=C(C1c2ccc(C)s2)C(=O)OCC)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N08 compound treatment 0.438 0.00484 0.23 0.435 0.00606 0.37 0.4214 0.9756 1473031 ChemDiv3_014022 CCn1c(=O)n(CC(=O)N2CC(C)CC(C)C2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N09 compound treatment 0.446 0.0128 0.61 0.442 0.0131 0.79 0.9891 0.9923 3039597 ChemDiv3_014023 Oc1c(C(=O)C2CCC2)c(=O)oc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N10 compound treatment 0.462 0.0288 1.37 0.467 0.0381 2.29 2.5928 0.9701 1571851 ChemDiv3_014024 CC1CCN(CC1)c2nc(C)nc3sc(C(=O)N4CCN(CC4)c5ccc(F)cc5)c(C)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N11 compound treatment 0.446 0.0128 0.61 0.436 0.00706 0.43 0.7336 0.9841 3039657 ChemDiv3_014025 NC(=O)CSc1nnc(c2cccnc2)n1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N12 compound treatment 0.433 -1.56E-4 -0.01 0.43 0.00106 0.06 0.04 0.6206 1449739 ChemDiv3_014026 CCN(CC)c1nc(C)nc2sc(C(=O)N3CCCCCC3)c(C)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N13 compound treatment 0.488 0.0548 2.61 0.494 0.0651 3.92 4.6187 0.9807 1496672 ChemDiv3_014027 CCN(c1ccccc1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N14 compound treatment 0.434 8.44E-4 0.04 0.435 0.00606 0.37 0.2866 0.7803 1664336 ChemDiv3_014028 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)NC4CCCCC4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N15 compound treatment 0.427 -0.00616 -0.29 0.414 -0.0149 -0.9 -0.8435 -0.8916 3039661 ChemDiv3_014029 CC1CCN(CC1)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccccc4Cl)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N16 compound treatment 0.439 0.00584 0.28 0.442 0.0131 0.79 0.7531 0.9026 1520077 ChemDiv3_014030 COC(CNC(=O)c1ccc2n(c(C)nc2c1)c3cc(Cl)ccc3OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N17 compound treatment 0.445 0.0118 0.56 0.44 0.0111 0.67 0.8702 0.9966 3039662 ChemDiv3_014031 CCC1=C(C(c2cc(OC)c(OC)cc2OC)n3ncnc3N1)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N18 compound treatment 0.445 0.0118 0.56 0.452 0.0231 1.39 1.3811 0.9214 1180590 ChemDiv3_014032 CCOc1ccc(cc1)n2c(SCC(=O)NCc3ccco3)nc4[nH]nc(C)c4c2=N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N19 compound treatment 0.469 0.0358 1.71 0.48 0.0511 3.07 3.3822 0.9616 3039664 ChemDiv3_014033 Cc1ccc(cc1C)C2CC(c3c(F)cccc3Cl)n4ncnc4N2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N20 compound treatment 0.436 0.00284 0.14 0.434 0.00506 0.3 0.3114 0.9334 1720516 ChemDiv3_014034 CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)N3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N21 compound treatment 0.56 0.127 6.05 0.554 0.125 7.53 9.6001 0.9941 3120875 ChemDiv3_014035 COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C1c3cccc(Cl)c3)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N22 compound treatment 0.425 -0.00816 -0.39 0.434 0.00506 0.3 -0.0594 -0.1202 3039667 ChemDiv3_014036 Cc1n[nH]c(C)c1S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N23 mock treatment 0.439 0.00584 0.28 0.43 0.00106 0.06 0.2422 0.8474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 N24 mock treatment 0.428 -0.00516 -0.25 0.428 -9.38E-4 -0.06 -0.2137 -0.8474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O01 compound treatment 0.482 0.0488 2.33 0.48 0.0511 3.07 3.8204 0.9906 3120876 ChemDiv3_014037 Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)c3ccc(/C=C/4\Oc5ccccc5NC4=O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O02 compound treatment 0.469 0.0358 1.71 0.455 0.0261 1.57 2.3178 0.9991 3039669 ChemDiv3_014038 Cc1cccc(/C=C\2/Oc3ccccc3N(CC(=O)N4CCC5(CC4)OCCO5)C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O03 compound treatment 0.434 8.44E-4 0.04 0.429 6.25E-5 0.0 0.0311 0.7699 3120877 ChemDiv3_014039 Fc1cccc(/C=C\2/Oc3ccccc3N(CC(=O)N4CCN(CC4)c5ncccn5)C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O04 compound treatment 0.51 0.0768 3.66 0.502 0.0731 4.4 5.7008 0.9959 3120878 ChemDiv3_014040 Fc1ccc(CN2C(=O)/C(=C/c3ccccc3)/Sc4ccc(cc24)C(=O)N5CCCC5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O05 compound treatment 0.45 0.0168 0.8 0.445 0.0161 0.97 1.2516 0.9957 3039672 ChemDiv3_014041 FC(F)(F)c1cccc(Nc2cc(C(=O)NCc3cccnc3)c4ccccc4n2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O06 compound treatment 0.444 0.0108 0.52 0.445 0.0161 0.97 1.0494 0.9569 3120879 ChemDiv3_014042 CCOc1ccc(cc1)c2nc(CSCC(=O)N3CCOCC3)c(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O07 compound treatment 0.535 0.102 4.85 0.534 0.105 6.33 7.9059 0.9915 3039673 ChemDiv3_014043 COc1ccc(Nc2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O08 compound treatment 0.53 0.0968 4.62 0.519 0.0901 5.42 7.0988 0.9968 3120880 ChemDiv3_014044 CC(C)CN(CC(C)C)C(=O)c1ccc2S/C(=C\c3ccccc3)/C(=O)Nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O09 compound treatment 0.439 0.00584 0.28 0.439 0.0101 0.61 0.6254 0.9378 3121069 ChemDiv3_014045 CC1CCCC(NC(=O)CC2Nc3ccccc3NC2=O)C1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O10 compound treatment 0.477 0.0438 2.09 0.474 0.0451 2.71 3.3964 0.9917 1418651 ChemDiv3_014046 COc1ccccc1NC(=O)c2c(NCc3cccs3)sc4CCCCCc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O11 compound treatment 0.428 -0.00516 -0.25 0.428 -9.38E-4 -0.06 -0.2137 -0.8474 3039738 ChemDiv3_014047 CN(C1CCCCC1)C2CCN(CC2)C(=S)Nc3cc(F)cc(F)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O12 compound treatment 0.464 0.0308 1.47 0.464 0.0351 2.11 2.5324 0.9844 3039740 ChemDiv3_014048 O=C(CC1CC2CCC1C2)NC3CCCCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O13 compound treatment 0.495 0.0618 2.95 0.492 0.0631 3.8 4.7695 0.9922 3039741 ChemDiv3_014049 Fc1ccccc1CN2C(=O)/C(=C\c3ccc(cc3)C(=O)NC4CC4)/Oc5ccccc25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O14 compound treatment 0.452 0.0188 0.9 0.448 0.0191 1.15 1.4468 0.9926 3039743 ChemDiv3_014050 CCCNC(=O)c1ccc2ccccc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O15 compound treatment 0.435 0.00184 0.09 0.429 6.25E-5 0.0 0.0648 0.7367 3039744 ChemDiv3_014051 CCC(C)N(C)C1CCN(CC1)C(=S)Nc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O16 compound treatment 0.463 0.0298 1.42 0.464 0.0351 2.11 2.4987 0.9815 3039746 ChemDiv3_014052 CSc1ncccc1C(=O)NCc2ccccc2C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O17 compound treatment 0.481 0.0478 2.28 0.506 0.0771 4.64 4.8936 0.9465 3121070 ChemDiv3_014053 COc1ccccc1/C=C\2/Sc3ccc(cc3N(C)C2=O)C(=O)N4CCN(CC4)c5ncccn5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O18 compound treatment 0.441 0.00784 0.37 0.442 0.0131 0.79 0.8205 0.9422 3039748 ChemDiv3_014054 Cc1cc(NC(=O)Cc2cccc3ccccc23)n[nH]1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O19 compound treatment 0.43 -0.00316 -0.15 0.419 -0.00994 -0.6 -0.5295 -0.8582 3121071 ChemDiv3_014055 CC(C)NC(=S)N(CCc1ccncc1)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O20 compound treatment 0.44 0.00684 0.33 0.439 0.0101 0.61 0.6591 0.9578 3121072 ChemDiv3_014056 COc1ccc(C(=O)NCCc2ccc(O)cc2)c(OC)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O21 compound treatment 0.434 8.44E-4 0.04 0.431 0.00206 0.12 0.1163 0.8906 3039751 ChemDiv3_014057 Cc1ccsc1/C=C/C(=O)NCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O22 compound treatment 0.443 0.00984 0.47 0.435 0.00606 0.37 0.5899 0.9923 3121073 ChemDiv3_014058 COc1ccc(cc1)N2CCN(CC2)C(=O)CCCC(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O23 mock treatment 0.433 -1.56E-4 -0.01 0.419 -0.00994 -0.6 -0.4284 -0.7159 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 O24 mock treatment 0.438 0.00484 0.23 0.428 -9.38E-4 -0.06 0.1234 0.519 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P01 compound treatment 0.446 0.0128 0.61 0.44 0.0111 0.67 0.9039 0.9991 1113275 ChemDiv3_014059 O=C(CCC(=O)c1ccccc1)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P02 compound treatment 0.445 0.0118 0.56 0.437 0.00806 0.49 0.7425 0.9972 1223469 ChemDiv3_014060 CCn1cnc2sc(C(=O)N(Cc3ccco3)Cc4ccc(cc4)N(C)C)c(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P03 compound treatment 0.47 0.0368 1.76 0.481 0.0521 3.13 3.4585 0.9625 1132336 ChemDiv3_014061 COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P04 compound treatment 0.36 -0.0732 -3.49 0.355 -0.0739 -4.45 -5.6138 -0.9927 1194685 ChemDiv3_014062 CCCn1c(=O)c(CC(=O)OCC)c(O)c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P05 compound treatment 0.45 0.0168 0.8 0.442 0.0131 0.79 1.1239 0.9999 3039754 ChemDiv3_014063 FC(F)(F)c1cccc(CNC(=O)c2cccs2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P06 compound treatment 0.443 0.00984 0.47 0.44 0.0111 0.67 0.8028 0.9853 3121074 ChemDiv3_014064 CC(C)Cn1c(=O)c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P07 compound treatment 0.455 0.0218 1.04 0.446 0.0171 1.03 1.4627 1.0 1400079 ChemDiv3_014065 CC(=O)Nc1c(OC(=O)C)ccc2c(C)cc(=O)oc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P08 compound treatment 0.455 0.0218 1.04 0.458 0.0291 1.75 1.9736 0.9693 1718046 ChemDiv3_014066 Oc1cccc(NC(=O)CCn2c(=S)oc3ccccc23)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P09 compound treatment 0.48 0.0468 2.23 0.467 0.0381 2.29 3.1995 0.9999 3039758 ChemDiv3_014067 COc1ccc2n(C)c3ccccc3c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P10 compound treatment 0.436 0.00284 0.14 0.435 0.00606 0.37 0.354 0.909 1122184 ChemDiv3_014068 COc1cccc(NC(=O)CNC(=O)Cn2cnc3sc4CCCCc4c3c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P11 compound treatment 0.443 0.00984 0.47 0.438 0.00906 0.55 0.7176 0.9972 3039818 ChemDiv3_014069 O=C(CSc1nnc(c2ccncc2)n1c3ccccc3)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P12 compound treatment 0.435 0.00184 0.09 0.437 0.00806 0.49 0.4054 0.8218 1425898 ChemDiv3_014070 CCOC(=O)c1ccccc1NC(=O)c2sc3nc(C)nc(N(CC)CC)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P13 compound treatment 0.424 -0.00916 -0.44 0.418 -0.0109 -0.66 -0.7743 -0.98 1266683 ChemDiv3_014071 CCN(c1ccccc1)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P14 compound treatment 0.432 -0.00116 -0.06 0.434 0.00506 0.3 0.1766 0.57 1619997 ChemDiv3_014072 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)NCC4CCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P15 compound treatment 0.373 -0.0602 -2.87 0.37 -0.0589 -3.55 -4.537 -0.9944 1580461 ChemDiv3_014073 COC(CNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N3CCC(C)CC3)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P16 compound treatment 0.436 0.00284 0.14 0.444 0.0151 0.91 0.7371 0.8039 3121075 ChemDiv3_014074 CC1CC(C)CN(C1)C(=O)Cn2cnc3sc(C(=O)N(C)Cc4ccccc4)c(C)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P17 compound treatment 0.455 0.0218 1.04 0.446 0.0171 1.03 1.4627 1.0 3121076 ChemDiv3_014075 CN(C)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c4ccc(Br)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P18 compound treatment 0.511 0.0778 3.71 0.494 0.0651 3.92 5.3939 0.9996 1190662 ChemDiv3_014076 Cc1n[nH]c2nc(SCC(=O)NCCc3ccccc3)n(c4ccccc4Cl)c(=N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P19 compound treatment 0.448 0.0148 0.71 0.439 0.0101 0.61 0.9288 0.997 1542072 ChemDiv3_014077 CC1=C(C(C2=C(CCCC2=O)N1)c3cccs3)C(=O)N4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P20 compound treatment 0.447 0.0138 0.66 0.433 0.00406 0.24 0.6396 0.9088 3039823 ChemDiv3_014078 CSCCC1N2C(=S)NC(C)(C)CC2(C)N(N)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P21 compound treatment 0.549 0.116 5.52 0.521 0.0921 5.54 7.8244 1.0 3121077 ChemDiv3_014079 CCOC(=O)C1=CN(C=C(C1c2ccccc2Br)C(=O)OCC)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P22 compound treatment 0.426 -0.00716 -0.34 0.428 -9.38E-4 -0.06 -0.2811 -0.8131 3039825 ChemDiv3_014080 CC(=O)Nc1nc(cs1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P23 mock treatment 0.443 0.00984 0.47 0.45 0.0211 1.27 1.2285 0.9085 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2040 P24 mock treatment 0.419 -0.0142 -0.67 0.421 -0.00794 -0.48 -0.8151 -0.9857 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A01 compound treatment 0.403 -0.0319 -1.52 0.407 0.00124 0.07 -1.0216 -0.6715 3121078 ChemDiv3_014081 CCOc1ccc2nc(sc2c1)C(=O)N3CCCC(C)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A02 compound treatment 0.447 0.0121 0.58 0.394 -0.0118 -0.71 -0.0919 -0.1006 1329091 ChemDiv3_014082 COc1ccc(cc1)C2=NC(NC(C2)c3ccccc3O)c4ccccc4OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A03 compound treatment 0.455 0.0201 0.96 0.421 0.0152 0.92 1.3273 0.9998 3039828 ChemDiv3_014083 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)N3CCN(CC3)c4cc(Cl)ccc4C)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A04 compound treatment 0.364 -0.0709 -3.38 0.346 -0.0598 -3.6 -4.9332 -0.9995 1633854 ChemDiv3_014084 CCOc1ccc(cc1)N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A05 compound treatment 0.427 -0.00788 -0.38 0.394 -0.0118 -0.71 -0.7661 -0.956 3121079 ChemDiv3_014085 CCOC(=O)c1cc(c2ccccc2)n(c1C)c3cccc(c3)C(=O)N4CCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A06 compound treatment 0.427 -0.00788 -0.38 0.392 -0.0138 -0.83 -0.8512 -0.9359 1351188 ChemDiv3_014086 COC(CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A07 compound treatment 0.456 0.0211 1.01 0.404 -0.00176 -0.11 0.6372 0.6293 3121080 ChemDiv3_014087 Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N3CCC(CC3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A08 compound treatment 0.434 -8.75E-4 -0.04 0.402 -0.00376 -0.23 -0.1895 -0.8236 3039830 ChemDiv3_014088 Brc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A09 compound treatment 0.428 -0.00688 -0.33 0.402 -0.00376 -0.23 -0.3918 -0.9837 3121081 ChemDiv3_014089 CN(CC(=O)N1CCc2ccccc12)S(=O)(=O)c3c(C)noc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A10 compound treatment 0.433 -0.00188 -0.09 0.398 -0.00776 -0.47 -0.3935 -0.8274 3039832 ChemDiv3_014090 CC(C)OC(=O)CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A11 compound treatment 0.465 0.0301 1.44 0.442 0.0362 2.18 2.5584 0.9794 1112897 ChemDiv3_014091 Cc1ccc(cc1)c2cc3ccccn3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A12 compound treatment 0.483 0.0481 2.29 0.444 0.0382 2.3 3.2503 1.0 3121082 ChemDiv3_014092 CC(NC(=O)CCn1c(=S)oc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A13 compound treatment 0.457 0.0221 1.05 0.417 0.0112 0.68 1.2244 0.977 3039835 ChemDiv3_014093 CC1CCC(CC1)NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A14 compound treatment 0.436 0.00112 0.05 0.402 -0.00376 -0.23 -0.1221 -0.525 3039892 ChemDiv3_014094 Brc1ccc(cc1)S(=O)(=O)CCC(=O)N2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A15 compound treatment 0.483 0.0481 2.29 0.489 0.0832 5.01 5.1662 0.9373 3039893 ChemDiv3_014095 CN(C)/C=C/c1onc(C)c1S(=O)(=O)N(C)CCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A16 compound treatment 0.444 0.00912 0.43 0.387 -0.0188 -1.13 -0.4911 -0.4057 1322055 ChemDiv3_014096 Nc1ccc(cc1)N2CCNCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A17 compound treatment 0.431 -0.00388 -0.18 0.39 -0.0158 -0.95 -0.8015 -0.8292 3039895 ChemDiv3_014097 CC(C)NS(=O)(=O)c1c(C)noc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A18 compound treatment 0.5 0.0651 3.1 0.45 0.0442 2.66 4.0788 0.9971 1643280 ChemDiv3_014098 Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A19 compound treatment 0.439 0.00412 0.2 0.4 -0.00576 -0.35 -0.1061 -0.2662 3039897 ChemDiv3_014099 CNC(=O)C1CCN(CC1)S(=O)(=O)c2c(C)noc2/C=C/N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A20 compound treatment 0.452 0.0171 0.82 0.403 -0.00276 -0.17 0.4598 0.5519 1143154 ChemDiv3_014100 OC(=O)c1ccc2C(=O)N(CCC3=CCCCC3)C(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A21 compound treatment 0.451 0.0161 0.77 0.407 0.00124 0.07 0.5964 0.7722 3039899 ChemDiv3_014101 COc1ccccc1CC(=O)Nc2ccc(cc2)c3noc(COc4ccc(Cl)c(C)c4)n3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A22 compound treatment 0.438 0.00312 0.15 0.403 -0.00276 -0.17 -0.0121 -0.0543 3039901 ChemDiv3_014102 Cc1ccc(cc1)c2c(oc(=O)c3ccccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A23 mock treatment 0.421 -0.0139 -0.66 0.395 -0.0108 -0.65 -0.9257 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 A24 mock treatment 0.435 1.25E-4 0.01 0.386 -0.0198 -1.19 -0.837 -0.7036 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B01 compound treatment 0.45 0.0151 0.72 0.431 0.0252 1.52 1.5845 0.9419 3121083 ChemDiv3_014103 COc1ccc(cc1)c2n[nH]cc2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B02 compound treatment 0.47 0.0351 1.67 0.432 0.0262 1.58 2.3012 0.9996 3121084 ChemDiv3_014104 CC(C)C1=NC(NN1c2ccccc2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B03 compound treatment 0.453 0.0181 0.86 0.43 0.0242 1.46 1.643 0.9687 1037837 ChemDiv3_014105 Nc1ccc(OCc2ccccc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B04 compound treatment 0.453 0.0181 0.86 0.418 0.0122 0.74 1.1321 0.9969 3121085 ChemDiv3_014106 CC(N1C(=O)NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B05 compound treatment 0.463 0.0281 1.34 0.427 0.0212 1.28 1.8524 0.9997 3039905 ChemDiv3_014107 OC(=O)Cc1ccc(NCc2ccc(Br)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B06 compound treatment 0.445 0.0101 0.48 0.398 -0.00776 -0.47 0.011 0.0163 3039906 ChemDiv3_014108 O=c1[nH]c(=O)c2[nH]cnc2n1Cc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B07 compound treatment 0.446 0.0111 0.53 0.417 0.0112 0.68 0.8536 0.9927 3121086 ChemDiv3_014109 OC(=O)CCSCc1ccccc1F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B08 compound treatment 0.453 0.0181 0.86 0.419 0.0132 0.8 1.1747 0.9992 3121087 ChemDiv3_014110 Nc1cc(=O)n2C(CS(=O)(=O)c3ccccc3)CSc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B09 compound treatment 0.468 0.0331 1.58 0.42 0.0142 0.86 1.7229 0.9588 3039909 ChemDiv3_014111 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B10 compound treatment 0.401 -0.0339 -1.61 0.391 -0.0148 -0.89 -1.7702 -0.9604 3121088 ChemDiv3_014112 CCCc1cc(=O)c2c(=O)n([nH]c2[nH]1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B11 compound treatment 0.442 0.00712 0.34 0.419 0.0132 0.8 0.8039 0.9277 1619398 ChemDiv3_014113 COc1ccccc1n2c(C)nc3cc(ccc23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B12 compound treatment 0.446 0.0111 0.53 0.445 0.0392 2.36 2.0457 0.8448 3121089 ChemDiv3_014114 NC1=NC(N2C(=N1)Sc3ccccc23)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B13 compound treatment 0.466 0.0311 1.48 0.449 0.0432 2.6 2.8901 0.9645 3039912 ChemDiv3_014115 CCn1c2ccccc2c3nn(C)c(=N)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B14 compound treatment 0.439 0.00412 0.2 0.414 0.00824 0.5 0.4899 0.9179 3121090 ChemDiv3_014116 C=CCNc1nc2c([nH]c3ccccc23)s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B15 compound treatment 0.445 0.0101 0.48 0.435 0.0292 1.76 1.5862 0.8689 3039968 ChemDiv3_014117 CN(Cc1ccccc1)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B16 compound treatment 0.448 0.0131 0.63 0.41 0.00424 0.26 0.623 0.9219 3039970 ChemDiv3_014118 NC1=C(C#N)C(c2ccncc2)c3c(O)ncnc3O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B17 compound treatment 0.497 0.0621 2.96 0.484 0.0782 4.71 5.4252 0.975 3039971 ChemDiv3_014119 OC(=O)c1ccc(cc1)C2NC(=O)C(=C(SCc3ccccc3)S2)C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B18 compound treatment 0.461 0.0261 1.25 0.429 0.0232 1.4 1.8701 0.9983 3039972 ChemDiv3_014120 COC(=O)c1ccc2c(=O)n3nc(N)sc3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B19 compound treatment 0.516 0.0811 3.87 0.491 0.0852 5.13 6.3637 0.9903 3039974 ChemDiv3_014121 O=c1[nH]c(CSc2nc3ccccc3o2)nc4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B20 compound treatment 0.431 -0.00388 -0.18 0.437 0.0312 1.88 1.1995 0.6346 3039976 ChemDiv3_014122 CCCCN1COc2ccc3c(C)cc(=O)oc3c2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B21 compound treatment 0.437 0.00212 0.1 0.41 0.00424 0.26 0.2522 0.918 3039977 ChemDiv3_014123 CC1CC(=O)C2=C(C1)Nc3nc4ccccc4n3C2c5cccs5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B22 compound treatment 0.432 -0.00288 -0.14 0.407 0.00124 0.07 -0.0441 -0.2822 3039979 ChemDiv3_014124 NC1=NC(N(CCc2ccc(F)cc2)C(=N1)N)c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B23 mock treatment 0.444 0.00912 0.43 0.414 0.00824 0.5 0.6585 0.9978 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 B24 mock treatment 0.428 -0.00688 -0.33 0.399 -0.00676 -0.41 -0.5195 -0.9942 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C01 compound treatment 0.425 -0.00988 -0.47 0.39 -0.0158 -0.95 -1.0038 -0.9477 3121091 ChemDiv3_014125 CC(C)c1ccc(cc1)n2cccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C02 compound treatment 0.448 0.0131 0.63 0.404 -0.00176 -0.11 0.3675 0.5792 1717842 ChemDiv3_014126 CCOc1ccc(cc1)C2=NC(NC(C2)c3ccccc3O)c4ccc(OC)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C03 compound treatment 0.483 0.0481 2.29 0.452 0.0462 2.78 3.5909 0.9954 3039981 ChemDiv3_014127 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)N3CCc4ccccc34)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C04 compound treatment 0.382 -0.0529 -2.52 0.365 -0.0408 -2.45 -3.5176 -0.9999 1387961 ChemDiv3_014128 COC(CNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N(C)c3ccc(cc3)C(C)C)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C05 compound treatment 0.421 -0.0139 -0.66 0.399 -0.00676 -0.41 -0.7554 -0.9728 3121277 ChemDiv3_014129 O=C(NC1CCCC1)C2CCCN(C2)S(=O)(=O)c3cccc4cccnc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C06 compound treatment 0.422 -0.0129 -0.61 0.41 0.00424 0.26 -0.2534 -0.3812 1469378 ChemDiv3_014130 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C07 compound treatment 0.428 -0.00688 -0.33 0.414 0.00824 0.5 0.1191 0.2003 3121278 ChemDiv3_014131 O=C1Cc2cc(ccc2N1)S(=O)(=O)NCc3cccs3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C08 compound treatment 0.492 0.0571 2.72 0.438 0.0322 1.94 3.2982 0.9862 3039984 ChemDiv3_014132 CCOc1ccccc1NC(=O)CCN2CCN(CC2)S(=O)(=O)c3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C09 compound treatment 0.426 -0.00888 -0.42 0.394 -0.0118 -0.71 -0.7998 -0.9697 1032549 ChemDiv3_014133 CCOC(=O)C1CCCCN1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C10 compound treatment 0.436 0.00112 0.05 0.404 -0.00176 -0.11 -0.037 -0.3113 1171382 ChemDiv3_014134 CC(C)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C11 compound treatment 0.424 -0.0109 -0.52 0.397 -0.00876 -0.53 -0.7395 -1.0 3039986 ChemDiv3_014135 Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C12 compound treatment 0.431 -0.00388 -0.18 0.405 -7.59E-4 -0.05 -0.1629 -0.8562 1318029 ChemDiv3_014136 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)N4CCC(=CC4)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C13 compound treatment 0.465 0.0301 1.44 0.438 0.0322 1.94 2.3881 0.989 3121279 ChemDiv3_014137 CCOC(=O)c1cc(c2ccc(F)cc2)n(CC(=O)N3CCc4ccccc4C3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C14 compound treatment 0.518 0.0831 3.96 0.472 0.0662 3.99 5.6222 1.0 3039989 ChemDiv3_014138 Brc1ccc(cc1)S(=O)(=O)CCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C15 compound treatment 0.466 0.0311 1.48 0.449 0.0432 2.6 2.8901 0.9645 3121280 ChemDiv3_014139 CC(C)c1ccc(cc1)N(C)S(=O)(=O)c2c(C)noc2/C=C/N(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C16 compound treatment 0.423 -0.0119 -0.57 0.397 -0.00876 -0.53 -0.7732 -0.9994 1627807 ChemDiv3_014140 OC(=O)c1ccc2ncccc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C17 compound treatment 0.424 -0.0109 -0.52 0.412 0.00624 0.38 -0.1008 -0.1575 3121281 ChemDiv3_014141 O=C(Cn1cnc(c1)S(=O)(=O)N2CCCC2)NC3CCN(Cc4ccccc4)CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C18 compound treatment 0.436 0.00112 0.05 0.406 2.41E-4 0.01 0.0482 0.8674 3038771 ChemDiv3_014142 Cc1cc(nn1CC(=O)O)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C19 compound treatment 0.417 -0.0179 -0.85 0.397 -0.00876 -0.53 -0.9754 -0.9734 3038773 ChemDiv3_014143 Cn1c(=O)c(=O)n(C)c2cc(ccc12)S(=O)(=O)N3CCSc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C20 compound treatment 0.497 0.0621 2.96 0.469 0.0632 3.81 4.7866 0.9923 1727323 ChemDiv3_014144 O=C(Nc1ccccc1)c2ccc3C(=O)N(CCC4=CCCCC4)C(=O)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C21 compound treatment 0.46 0.0251 1.2 0.431 0.0252 1.52 1.9215 0.993 3038774 ChemDiv3_014145 CCOC(=O)C1C(/C=C/c2ccccc2)C(C(=O)OCC)C(C)(O)CC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C22 compound treatment 0.423 -0.0119 -0.57 0.398 -0.00776 -0.47 -0.7306 -0.9954 3038776 ChemDiv3_014146 CC1CCc2[nH]nc(C(=O)O)c2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C23 mock treatment 0.416 -0.0189 -0.9 0.383 -0.0228 -1.37 -1.6052 -0.9792 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 C24 mock treatment 0.423 -0.0119 -0.57 0.391 -0.0148 -0.89 -1.0286 -0.9763 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D01 compound treatment 0.448 0.0131 0.63 0.425 0.0192 1.16 1.2616 0.9582 3038777 ChemDiv3_014147 CCOC(=O)c1cc(c2ccccc2)n(CCC(=O)O)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D02 compound treatment 0.442 0.00712 0.34 0.413 0.00724 0.44 0.5485 0.9924 3038779 ChemDiv3_014148 CC1=NN(C(=O)C21C3CC(C=C3)C2(C(F)(F)F)C(F)(F)F)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D03 compound treatment 0.391 -0.0439 -2.09 0.387 -0.0188 -1.13 -2.2776 -0.9582 1041548 ChemDiv3_014149 CC(C)(C)c1cc(O)cc(c1)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D04 compound treatment 0.427 -0.00788 -0.38 0.444 0.0382 2.3 1.3627 0.5841 3038781 ChemDiv3_014150 C(Nc1nc[n+]2CCn3cnc1c32)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D05 compound treatment 0.453 0.0181 0.86 0.46 0.0542 3.27 2.9203 0.8644 3121282 ChemDiv3_014151 OC(=O)c1ccccc1NCc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D06 compound treatment 0.431 -0.00388 -0.18 0.516 0.11 6.64 4.5629 0.6872 3121283 ChemDiv3_014152 C=CCn1cnc2c(NCc3ccccc3)ncnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D07 compound treatment 0.446 0.0111 0.53 0.514 0.108 6.52 4.9833 0.7621 3038783 ChemDiv3_014153 COc1ccc(CN2CC(CC2=O)C(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D08 compound treatment 0.442 0.00712 0.34 0.442 0.0362 2.18 1.7831 0.8074 3121284 ChemDiv3_014154 Nc1ccccc1SC2=CS(=O)(=O)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D09 compound treatment 0.477 0.0421 2.01 0.455 0.0492 2.96 3.5164 0.982 3038785 ChemDiv3_014155 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D10 compound treatment 0.435 1.25E-4 0.01 0.497 0.0912 5.49 3.8888 0.7079 3121285 ChemDiv3_014156 COc1ccc(cc1)c2nc(C=C3C(=O)c4ccccc4C3=O)c5ccccn25 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D11 compound treatment 0.445 0.0101 0.48 0.484 0.0782 4.71 3.6724 0.7755 3038787 ChemDiv3_014157 COc1ccc2[nH]c(=O)c(cc2c1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D12 compound treatment 0.419 -0.0159 -0.76 0.461 0.0552 3.33 1.8168 0.5326 3121286 ChemDiv3_014158 Cc1[nH]c2ccccc2c1C3(O)C(=O)N(Cc4ccc(C)cc4)c5ccc(Br)cc53 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D13 compound treatment 0.533 0.0981 4.68 0.643 0.237 14.28 13.4081 0.892 3038789 ChemDiv3_014159 Cc1nc(N)c(C#N)c(c2ccc(Br)s2)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D14 compound treatment 0.46 0.0251 1.2 0.58 0.174 10.49 8.2652 0.7827 3121287 ChemDiv3_014160 CC(=O)n1c2sc(N3CCOCC3)c(c4ccccc4)c2c5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D15 compound treatment 0.438 0.00312 0.15 0.554 0.148 8.93 6.4167 0.7188 3121288 ChemDiv3_014161 CC1CCc2c(C1)sc3ncnc(SCC(=O)Nc4nsc(n4)c5ccccc5C)c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D16 compound treatment 0.437 0.00212 0.1 0.574 0.168 10.13 7.2345 0.7141 3038791 ChemDiv3_014162 COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D17 compound treatment 0.444 0.00912 0.43 0.584 0.178 10.73 7.8962 0.7352 3038792 ChemDiv3_014163 CC(C)(C)N1CC(CC1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D18 compound treatment 0.437 0.00212 0.1 0.581 0.175 10.55 7.5325 0.7139 3121289 ChemDiv3_014164 OC(=O)CCc1nn2c(=O)c3ccccc3nc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D19 compound treatment 0.44 0.00512 0.24 0.564 0.158 9.53 6.9098 0.725 3038794 ChemDiv3_014165 COc1ccc2CCc3sc(C)nc3-c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D20 compound treatment 0.497 0.0621 2.96 0.619 0.213 12.84 11.1728 0.8479 3121290 ChemDiv3_014166 Cc1ccc(cc1)c2n[nH]c3nc(cc(c4cccc5ccccc45)c23)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D21 compound treatment 0.433 -0.00188 -0.09 0.548 0.142 8.56 5.9927 0.6997 3038796 ChemDiv3_014167 CC1=NC(N=C(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D22 compound treatment 0.433 -0.00188 -0.09 0.412 0.00624 0.38 0.2025 0.5243 3121291 ChemDiv3_014168 Nc1cnn(c2ccccc2)c(=O)c1N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D23 mock treatment 0.435 1.25E-4 0.01 0.399 -0.00676 -0.41 -0.2835 -0.6967 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 D24 mock treatment 0.43 -0.00488 -0.23 0.395 -0.0108 -0.65 -0.6224 -0.9043 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E01 compound treatment 0.438 0.00312 0.15 0.409 0.00324 0.2 0.2433 0.9911 3121292 ChemDiv3_014169 CC1Cc2ccccc2N1C(=O)CSCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E02 compound treatment 0.446 0.0111 0.53 0.408 0.00224 0.13 0.4704 0.8596 3038858 ChemDiv3_014170 Oc1ccccc1C2CC(=NC(N2)c3ccc(Br)cc3)c4cccc(Br)c4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E03 compound treatment 0.443 0.00812 0.39 0.435 0.0292 1.76 1.5188 0.8425 3038859 ChemDiv3_014171 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)N3CCCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E04 compound treatment 0.441 0.00612 0.29 0.421 0.0152 0.92 0.8554 0.8882 3038861 ChemDiv3_014172 CCCNC(=O)Cn1cnc2sc(C(=O)NCCCN3CCOCC3)c(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E05 compound treatment 0.436 0.00112 0.05 0.436 0.0302 1.82 1.3254 0.7276 3038862 ChemDiv3_014173 Cn1c(=O)c(=O)n(C)c2cc(ccc12)S(=O)(=O)N3CCCC3C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E06 compound treatment 0.443 0.00812 0.39 0.483 0.0772 4.65 3.5624 0.7634 1313876 ChemDiv3_014174 COc1ccc(cc1)C(CC(=O)NC2CCCC2)NS(=O)(=O)c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E07 compound treatment 0.444 0.00912 0.43 0.44 0.0342 2.06 1.7654 0.8379 3038865 ChemDiv3_014175 O=C1Cc2cc(ccc2N1)S(=O)(=O)N3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E08 compound treatment 0.456 0.0211 1.01 0.447 0.0412 2.48 2.4679 0.921 3121293 ChemDiv3_014176 COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E09 compound treatment 0.442 0.00712 0.34 0.433 0.0272 1.64 1.4 0.8358 3038867 ChemDiv3_014177 CN(CC(=O)NC1CCCC1)S(=O)(=O)c2ccc3nc(C)sc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E10 compound treatment 0.454 0.0191 0.91 0.417 0.0112 0.68 1.1233 0.9892 3121294 ChemDiv3_014178 COc1ccc(cc1)C(=O)N2CCN(CC2)S(=O)(=O)c3cc(Cl)ccc3OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E11 compound treatment 0.43 -0.00488 -0.23 0.443 0.0372 2.24 1.4212 0.6304 3038869 ChemDiv3_014179 Cn1cnc(c1)S(=O)(=O)NCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E12 compound treatment 0.447 0.0121 0.58 0.461 0.0552 3.33 2.7606 0.8177 1381314 ChemDiv3_014180 Cc1cccc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E13 compound treatment 0.492 0.0571 2.72 0.534 0.128 7.72 7.3854 0.902 3121295 ChemDiv3_014181 CCOC(=O)c1cc(c2ccc(F)cc2)n(CC(=O)NC3CCCC(C)C3C)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E14 compound treatment 0.427 -0.00788 -0.38 0.517 0.111 6.7 4.4706 0.6664 3038872 ChemDiv3_014182 COc1ccc(cc1)S(=O)(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E15 compound treatment 0.486 0.0511 2.44 0.637 0.231 13.92 11.5683 0.8184 3121296 ChemDiv3_014183 Cc1noc(/C=C/N2CCOCC2)c1S(=O)(=O)N3CCN(CC3)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E16 compound treatment 0.491 0.0561 2.68 0.609 0.203 12.24 10.5448 0.8418 3038873 ChemDiv3_014184 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Br)cc2C(NCC(=O)O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E17 compound treatment 0.441 0.00612 0.29 0.571 0.165 9.95 7.2416 0.7275 3121297 ChemDiv3_014185 CN(CC(=O)NCc1ccccc1)S(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E18 compound treatment 0.447 0.0121 0.58 0.579 0.173 10.43 7.7844 0.7451 1043920 ChemDiv3_014186 NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E19 compound treatment 0.457 0.0221 1.05 0.642 0.236 14.22 10.8037 0.7575 3038876 ChemDiv3_014187 Cc1cc(C)cc(NS(=O)(=O)c2ccc3N(CCOc3c2)C(=O)c4ccco4)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E20 compound treatment 0.467 0.0321 1.53 0.608 0.202 12.18 9.6932 0.7898 1431633 ChemDiv3_014188 COc1ccc(cc1)N2CCN(CC2)c3ccc(NC(=O)c4ccc(OC)cc4)cc3C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E21 compound treatment 0.515 0.0801 3.82 0.604 0.198 11.94 11.1409 0.889 1147292 ChemDiv3_014189 COc1ccccc1CNC(=O)c2sc3ncnc(N4CCN(CC4)c5ccccc5F)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E22 compound treatment 0.443 0.00812 0.39 0.426 0.0202 1.22 1.1356 0.8881 3038879 ChemDiv3_014190 CC(CN1CCCCC1)C(=O)NN 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E23 mock treatment 0.43 -0.00488 -0.23 0.4 -0.00576 -0.35 -0.4095 -0.9811 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 E24 mock treatment 0.435 1.25E-4 0.01 0.409 0.00324 0.2 0.1422 0.7284 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F01 compound treatment 0.452 0.0171 0.82 0.431 0.0252 1.52 1.6519 0.9575 3038881 ChemDiv3_014191 Cc1c(cc(c2ccccc2)n1Cc3ccccc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F02 compound treatment 0.458 0.0231 1.1 0.421 0.0152 0.92 1.4284 0.9958 3038929 ChemDiv3_014192 FC(F)(F)C1(N=C(N2C=CC=CC2=N1)c3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F03 compound treatment 0.455 0.0201 0.96 0.444 0.0382 2.3 2.3065 0.9247 1013222 ChemDiv3_014193 CCN(CC)c1ccc(cc1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F04 compound treatment 0.438 0.00312 0.15 0.488 0.0822 4.95 3.6067 0.7281 3121473 ChemDiv3_014194 Nc1ncnc2n(CCNCc3ccccc3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F05 compound treatment 0.456 0.0211 1.01 0.534 0.128 7.72 6.1719 0.7926 3038931 ChemDiv3_014195 OC(=O)c1ccc2n(cnc2c1)C3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F06 compound treatment 0.495 0.0601 2.87 0.594 0.188 11.33 10.041 0.8589 3121474 ChemDiv3_014196 COc1ccc(cc1OC)C(=O)OCC2CC(=NO2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F07 compound treatment 0.459 0.0241 1.15 0.539 0.133 8.02 6.4859 0.8003 3038933 ChemDiv3_014197 NNC(=O)c1ccc(CN2CCCCC2)o1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F08 compound treatment 0.46 0.0251 1.2 0.593 0.187 11.27 8.8187 0.7779 3038995 ChemDiv3_014198 Cc1ccc(C(=O)O)c2C3C=CCC3[C@H](Nc12)c4ccccc4Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F09 compound treatment 0.446 0.0111 0.53 0.479 0.0732 4.41 3.4932 0.7865 3038997 ChemDiv3_014199 Cc1c(oc2ccc(cc12)S(=O)(=O)N3CCCC3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F10 compound treatment 0.448 0.0131 0.63 0.452 0.0462 2.78 2.4111 0.8449 3038998 ChemDiv3_014200 C(N1CN(Cc2ccccc2)c3nc4ccccc4n3C1)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F11 compound treatment 0.45 0.0151 0.72 0.632 0.226 13.62 10.142 0.7435 1739322 ChemDiv3_014201 CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F12 compound treatment 0.426 -0.00888 -0.42 0.58 0.174 10.49 7.1191 0.678 3039000 ChemDiv3_014202 CC(C)(C)NC1C=C(Sc2nc(cn12)c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F13 compound treatment 0.502 0.0671 3.2 0.7 0.294 17.72 14.7899 0.8215 3039002 ChemDiv3_014203 Nc1nc2CCCCc2c(c3ccc(Br)s3)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F14 compound treatment 0.447 0.0121 0.58 0.603 0.197 11.88 8.8062 0.7406 1598994 ChemDiv3_014204 CC(=O)n1c2sc(N3CCCCC3)c(C#N)c2c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F15 compound treatment 0.455 0.0201 0.96 0.576 0.17 10.25 7.9263 0.7699 3039004 ChemDiv3_014205 CCOc1ccc2nc(SCC(=O)N3CCN(C3)C(=O)c4ccc(C)cc4)sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F16 compound treatment 0.505 0.0701 3.34 0.664 0.258 15.55 13.3583 0.8399 3121475 ChemDiv3_014206 CCNc1nc2[nH]c(=O)c3C(C(=C(N)Oc3c2s1)C#N)c4cccs4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F17 compound treatment 0.46 0.0251 1.2 0.591 0.185 11.15 8.7335 0.7786 3039006 ChemDiv3_014207 C(Sc1nn2cnnc2s1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F18 compound treatment 0.452 0.0171 0.82 0.591 0.185 11.15 8.4638 0.7568 3039007 ChemDiv3_014208 Nn1c(=O)c2ccc(cc2[nH]c1=S)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F19 compound treatment 0.48 0.0451 2.15 0.675 0.269 16.21 12.9839 0.794 3121476 ChemDiv3_014209 COc1ccc(cc1)c2cc(n3nc(N)nc3n2)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F20 compound treatment 0.489 0.0541 2.58 0.701 0.295 17.78 14.3942 0.8013 3121477 ChemDiv3_014210 CC1=C(C(c2ccccc2)n3ncc(C(=O)Nc4ccccc4)c3N1)C(=O)Nc5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F21 compound treatment 0.443 0.00812 0.39 0.583 0.177 10.67 7.8199 0.7323 3039010 ChemDiv3_014211 Cc1nn(c2OC(=NC(c12)(C(F)(F)F)C(F)(F)F)N3CCOCC3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F22 compound treatment 0.448 0.0131 0.63 0.434 0.0282 1.7 1.6448 0.9078 3121478 ChemDiv3_014212 COc1ccc(Cl)cc1S(=O)(=O)Nc2ccc3C(=O)OCc3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F23 mock treatment 0.44 0.00512 0.24 0.41 0.00424 0.26 0.3533 0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 F24 mock treatment 0.434 -8.75E-4 -0.04 0.418 0.0122 0.74 0.4917 0.666 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G01 compound treatment 0.463 0.0281 1.34 0.434 0.0282 1.7 2.1504 0.9931 3039012 ChemDiv3_014213 O=C(Cc1ccc(cc1)n2cccc2)NCCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G02 compound treatment 0.433 -0.00188 -0.09 0.396 -0.00976 -0.59 -0.4787 -0.8054 1714096 ChemDiv3_014214 COc1cccc(c1)C2=NC(C)(C)NC(C2)c3ccccc3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G03 compound treatment 0.49 0.0551 2.63 0.463 0.0572 3.45 4.2952 0.991 3121479 ChemDiv3_014215 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)Nc3nc4ccc(Cl)cc4s3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G04 compound treatment 0.472 0.0371 1.77 0.516 0.11 6.64 5.9449 0.8654 1714352 ChemDiv3_014216 CCCNC(=O)Cn1cnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G05 compound treatment 0.427 -0.00788 -0.38 0.518 0.112 6.76 4.5132 0.6668 3121480 ChemDiv3_014217 CCOC(=O)c1cc(c2ccccc2)n(CCC(=O)N3CCCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G06 compound treatment 0.442 0.00712 0.34 0.524 0.118 7.12 5.2743 0.74 1220187 ChemDiv3_014218 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)N2CCCCC2)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G07 compound treatment 0.494 0.0591 2.82 0.602 0.196 11.82 10.3479 0.8519 3038882 ChemDiv3_014219 CN(C)/C=C/c1onc(C)c1S(=O)(=O)N(C)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G08 compound treatment 0.452 0.0171 0.82 0.537 0.131 7.9 6.1648 0.776 1710074 ChemDiv3_014220 Cc1ccccc1CN2CCN(CC2)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G09 compound treatment 0.463 0.0281 1.34 0.599 0.193 11.64 9.1752 0.7834 3038935 ChemDiv3_014221 CN(C)/C=C/c1onc(C)c1S(=O)(=O)NC2CCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G10 compound treatment 0.446 0.0111 0.53 0.45 0.0442 2.66 2.2586 0.8316 1284663 ChemDiv3_014222 CC(C)NC(=O)c1oc(=O)c2ccccc2c1c3ccc(C)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G11 compound treatment 0.472 0.0371 1.77 0.682 0.276 16.63 13.0123 0.778 3038937 ChemDiv3_014223 COC(=O)c1ccc(n1C)S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G12 compound treatment 0.447 0.0121 0.58 0.539 0.133 8.02 6.0814 0.7561 1285233 ChemDiv3_014224 CC1CCCC(C)N1C(=O)CCN2C(=O)C3C4CC(C=C4)C3C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G13 compound treatment 0.465 0.0301 1.44 0.491 0.0852 5.13 4.6446 0.8715 3038939 ChemDiv3_014225 CCOC(=O)c1cc(c2ccc(F)cc2)n(CC(=O)N(C)Cc3ccccc3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G14 compound treatment 0.439 0.00412 0.2 0.438 0.0322 1.94 1.5117 0.7748 3038941 ChemDiv3_014226 COc1ccc(cc1)S(=O)(=O)CCC(=O)N(C)c2ccc(OC)cc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G15 compound treatment 0.479 0.0441 2.1 0.604 0.198 11.94 9.9274 0.8191 3038942 ChemDiv3_014227 CCc1ccccc1N(C)S(=O)(=O)c2c(C)noc2/C=C/N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G16 compound treatment 0.541 0.106 5.06 0.66 0.254 15.31 14.4015 0.8933 1609499 ChemDiv3_014228 O=C(c1ccccc1)c2ccc3CCc4cccc2c43 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G17 compound treatment 0.448 0.0131 0.63 0.584 0.178 10.73 8.031 0.7471 3121481 ChemDiv3_014229 COc1ccc(NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)NCc4ccccc4)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G18 compound treatment 0.449 0.0141 0.67 0.557 0.151 9.11 6.9152 0.7573 3038944 ChemDiv3_014230 OC(=O)c1cc(cc2ccccc12)c3ccc(Cl)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G19 compound treatment 0.436 0.00112 0.05 0.585 0.179 10.79 7.6691 0.7106 3121482 ChemDiv3_014231 O=C(N1NC2(CCCC2)NC1=O)c3ccncc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G20 compound treatment 0.457 0.0221 1.05 0.645 0.239 14.4 10.9314 0.7569 1570307 ChemDiv3_014232 CCN1CCc2c(C(=O)OC)c(N)sc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G21 compound treatment 0.465 0.0301 1.44 0.61 0.204 12.3 9.711 0.7844 1516404 ChemDiv3_014233 CN(Cc1ccccc1)C(=O)c2sc3ncnc(N4CCN(CC4)c5ccccc5)c3c2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G22 compound treatment 0.435 1.25E-4 0.01 0.416 0.0102 0.62 0.4402 0.7139 1147592 ChemDiv3_014234 CCOC(=O)CC(N)c1ccc(C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G23 mock treatment 0.425 -0.00988 -0.47 0.401 -0.00476 -0.29 -0.5355 -0.9717 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 G24 mock treatment 0.433 -0.00188 -0.09 0.418 0.0122 0.74 0.458 0.6168 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H01 compound treatment 0.441 0.00612 0.29 0.409 0.00324 0.2 0.3445 0.9808 1184652 ChemDiv3_014235 Cc1ccc(cc1C)S(=O)(=O)CCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H02 compound treatment 0.452 0.0171 0.82 0.435 0.0292 1.76 1.8222 0.9389 3121483 ChemDiv3_014236 CCOc1ccc2N3C(=NC(NC3=O)(C(F)(F)F)C(F)(F)F)Sc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H03 compound treatment 0.442 0.00712 0.34 0.423 0.0172 1.04 0.9742 0.8919 3038948 ChemDiv3_014237 OC(=O)/C=C/c1ccc(Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H04 compound treatment 0.43 -0.00488 -0.23 0.446 0.0402 2.42 1.5489 0.6364 3121484 ChemDiv3_014238 COc1ccccc1C2=NOC(COC(=O)c3ccc4ccccc4n3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H05 compound treatment 0.439 0.00412 0.2 0.527 0.121 7.3 5.3009 0.7259 1238998 ChemDiv3_014239 OC(=O)C1CCC(CNCc2ccncc2)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H06 compound treatment 0.433 -0.00188 -0.09 0.546 0.14 8.44 5.9075 0.6996 3121485 ChemDiv3_014240 CSc1nsc(SCC(=O)N2CCCc3ccccc23)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H07 compound treatment 0.452 0.0171 0.82 0.578 0.172 10.37 7.9104 0.7604 3038951 ChemDiv3_014241 Cc1ccc(CSCCC(=O)O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H08 compound treatment 0.435 1.25E-4 0.01 0.62 0.214 12.9 9.1255 0.7074 3038952 ChemDiv3_014242 Cc1ccn2cc(CSc3ccccc3N)nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H09 compound treatment 0.442 0.00712 0.34 0.61 0.204 12.3 8.9357 0.7264 3121486 ChemDiv3_014243 COC(CNC1=Nc2ncccc2OC1)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H10 compound treatment 0.431 -0.00388 -0.18 0.624 0.218 13.14 9.161 0.6971 3121487 ChemDiv3_014244 COc1ccc2n3CN(CC4CCCO4)CN(Cc5ccccc5)c3nc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H11 compound treatment 0.434 -8.75E-4 -0.04 0.677 0.271 16.33 11.5185 0.7053 3039017 ChemDiv3_014245 CC1CCN(CC1)c2ccc(NC(=O)CCC(=O)O)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H12 compound treatment 0.446 0.0111 0.53 0.654 0.248 14.95 10.9438 0.7317 3039018 ChemDiv3_014246 C(c1c[nH]c2ccccc12)c3nc(cs3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H13 compound treatment 0.558 0.123 5.87 0.73 0.324 19.52 17.9547 0.8808 3039020 ChemDiv3_014247 Cc1ccc(o1)c2cc(nc(N)c2C#N)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H14 compound treatment 0.442 0.00712 0.34 0.566 0.16 9.65 7.0624 0.7315 3039021 ChemDiv3_014248 CCN(C(=O)C)c1nc2c(s1)n(C(=O)C)c3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H15 compound treatment 0.44 0.00512 0.24 0.48 0.0742 4.47 3.3336 0.7446 3039023 ChemDiv3_014249 CCn1cc(C(=O)OCC=C)c(=O)c2ccc(C)nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H16 compound treatment 0.493 0.0581 2.77 0.62 0.214 12.9 11.0805 0.8398 3039024 ChemDiv3_014250 CSc1nc(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H17 compound treatment 0.447 0.0121 0.58 0.657 0.251 15.13 11.1052 0.7336 3039025 ChemDiv3_014251 O=C(CSc1nn2cnnc2s1)N(C3CCCCC3)C4CCCCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H18 compound treatment 0.432 -0.00288 -0.14 0.59 0.184 11.09 7.7471 0.6983 3039027 ChemDiv3_014252 CC(C)(CC(=O)O)CC(=O)Nn1c(=O)c2ccccc2[nH]c1=S 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H19 compound treatment 0.453 0.0181 0.86 0.598 0.192 11.57 8.7956 0.7578 3039028 ChemDiv3_014253 Cc1ccc2c(c1)sc3ncc(NC(=O)c4ccccc4)c(=O)n23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H20 compound treatment 0.586 0.151 7.2 0.766 0.36 21.69 20.4312 0.8939 3121488 ChemDiv3_014254 CC(C)CC1C(=C(C)Nc2c(cnn12)C(=O)Nc3ccccc3)C(=O)Nc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H21 compound treatment 0.434 -8.75E-4 -0.04 0.558 0.152 9.17 6.4521 0.7039 3039030 ChemDiv3_014255 CC(C)CC1=NC(N=C(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H22 compound treatment 0.504 0.0691 3.3 0.481 0.0752 4.53 5.5334 0.9878 3121489 ChemDiv3_014256 CC(CNC(=O)c1cccc(Nc2nc3ccccc3n4cnnc24)c1)c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H23 mock treatment 0.432 -0.00288 -0.14 0.411 0.00524 0.32 0.1262 0.3669 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 H24 mock treatment 0.435 1.25E-4 0.01 0.399 -0.00676 -0.41 -0.2835 -0.6967 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I01 compound treatment 0.472 0.0371 1.77 0.446 0.0402 2.42 2.9647 0.9881 3039032 ChemDiv3_014257 Clc1ccc(NC(=O)Cc2ccc(cc2)n3cccc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I02 compound treatment 0.437 0.00212 0.1 0.405 -7.59E-4 -0.05 0.0393 0.3539 1291873 ChemDiv3_014258 CCc1ccc(cc1)C2=NC(C)(CC)NC(C2)c3cc(Cl)ccc3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I03 compound treatment 0.44 0.00512 0.24 0.43 0.0242 1.46 1.2048 0.8141 3121490 ChemDiv3_014259 COC(=O)CN(c1ccc(cc1)C(C)C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I04 compound treatment 0.436 0.00112 0.05 0.425 0.0192 1.16 0.8571 0.739 1487708 ChemDiv3_014260 COc1ccc(NC(=O)c2sc3nc(C)nc(N(C)c4ccc(cc4)C(C)C)c3c2C)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I05 compound treatment 0.435 1.25E-4 0.01 0.455 0.0492 2.96 2.1007 0.7085 3121491 ChemDiv3_014261 OC(=O)C(Cc1ccccc1)NS(=O)(=O)c2cccc3cccnc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I06 compound treatment 0.449 0.0141 0.67 0.51 0.104 6.28 4.9142 0.7785 1128308 ChemDiv3_014262 CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)NCc2ccccc2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I07 compound treatment 0.435 1.25E-4 0.01 0.454 0.0482 2.9 2.0581 0.7086 3121492 ChemDiv3_014263 CN(C)/C=C/c1onc(C)c1S(=O)(=O)NCCN2CCC(Cc3ccccc3)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I08 compound treatment 0.447 0.0121 0.58 0.427 0.0212 1.28 1.3131 0.9356 3121493 ChemDiv3_014264 Cc1ccccc1CN2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I09 compound treatment 0.444 0.00912 0.43 0.422 0.0162 0.98 0.9991 0.9335 3039037 ChemDiv3_014265 OC(=O)Cn1c(nc2ccccc12)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I10 compound treatment 0.445 0.0101 0.48 0.558 0.152 9.17 6.8229 0.7433 1211799 ChemDiv3_014266 O=C(NCc1ccco1)c2oc(=O)c3ccccc3c2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I11 compound treatment 0.5 0.0651 3.1 0.621 0.215 12.96 11.3591 0.8524 3039039 ChemDiv3_014267 CCOC(=O)c1cc(c2ccc(F)cc2)n(CCC(=O)Nc3nc4ccc(C)cc4s3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I12 compound treatment 0.449 0.0141 0.67 0.608 0.202 12.18 9.0865 0.7451 1692523 ChemDiv3_014268 COc1cc2CCN(C(C)c2cc1OC)C(=O)CCN3C(=O)C4C5CC(C=C5)C4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I13 compound treatment 0.457 0.0221 1.05 0.661 0.255 15.37 11.6126 0.7539 3121673 ChemDiv3_014269 Brc1cnc2NC(=NS(=O)(=O)c2c1)CCC(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I14 compound treatment 0.442 0.00712 0.34 0.592 0.186 11.21 8.1693 0.7282 3038955 ChemDiv3_014270 Cc1cc2c(=O)n(CC(=O)NCC(=O)N3CCCCC3)cnc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I15 compound treatment 0.467 0.0321 1.53 0.52 0.114 6.88 5.9467 0.8439 3038956 ChemDiv3_014271 CCOC(=O)c1cc(c2ccccc2)n(CCCC(=O)NCc3ccccc3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I16 compound treatment 0.434 -8.75E-4 -0.04 0.575 0.169 10.19 7.1759 0.7042 3038958 ChemDiv3_014272 C(=C/c1ccncc1)\c2ccncc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I17 compound treatment 0.482 0.0471 2.25 0.584 0.178 10.73 9.1771 0.837 3038959 ChemDiv3_014273 CCC(Cc1ccccc1)NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)NCc4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I18 compound treatment 0.467 0.0321 1.53 0.553 0.147 8.87 7.3516 0.8171 1222646 ChemDiv3_014274 Nc1ccc(Oc2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I19 compound treatment 0.44 0.00512 0.24 0.591 0.185 11.15 8.0594 0.7224 3038961 ChemDiv3_014275 O=c1ccc(n[nH]1)c2cccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I20 compound treatment 0.463 0.0281 1.34 0.606 0.2 12.06 9.4733 0.7809 3038962 ChemDiv3_014276 COC(=O)c1c(N)scc1c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I21 compound treatment 0.439 0.00412 0.2 0.535 0.129 7.78 5.6415 0.7247 1455752 ChemDiv3_014277 Cc1c(sc2ncnc(N3CCN(CC3)c4ccccc4)c12)C(=O)N5CCCCCC5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I22 compound treatment 0.438 0.00312 0.15 0.422 0.0162 0.98 0.7968 0.8055 3038964 ChemDiv3_014278 CC(Cn1ccnc1C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I23 mock treatment 0.434 -8.75E-4 -0.04 0.402 -0.00376 -0.23 -0.1895 -0.8236 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 I24 mock treatment 0.456 0.0211 1.01 0.419 0.0132 0.8 1.2758 0.9933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J01 compound treatment 0.444 0.00912 0.43 0.404 -0.00176 -0.11 0.2327 0.5198 3038966 ChemDiv3_014279 NC(CC(=O)O)c1cccc(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J02 compound treatment 0.447 0.0121 0.58 0.41 0.00424 0.26 0.5893 0.9326 3121674 ChemDiv3_014280 COc1ccc(cc1)C2=NC(N=C(O2)c3ccccc3C)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J03 compound treatment 0.448 0.0131 0.63 0.422 0.0162 0.98 1.1339 0.9767 1732489 ChemDiv3_014281 COc1cccc(Nc2ccc(cc2N)C(=O)O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J04 compound treatment 0.434 -8.75E-4 -0.04 0.509 0.103 6.22 4.366 0.7023 3121675 ChemDiv3_014282 Fc1ccccc1Cn2ccccc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J05 compound treatment 0.435 1.25E-4 0.01 0.517 0.111 6.7 4.7403 0.7077 3121676 ChemDiv3_014283 OC(=O)C1CN(Cc2ccc(F)cc2)C(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J06 compound treatment 0.505 0.0701 3.34 0.603 0.197 11.88 10.7612 0.8722 3038969 ChemDiv3_014284 CSc1nsc(SCC(=O)OC2CC(C)CCC2C(C)C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J07 compound treatment 0.442 0.00712 0.34 0.568 0.162 9.77 7.1475 0.7313 3121677 ChemDiv3_014285 OC(=O)CCSCc1ccc(Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J08 compound treatment 0.483 0.0481 2.29 0.558 0.152 9.17 8.1038 0.8576 3121678 ChemDiv3_014286 COc1ccc(cc1)C2N(CCCN2S(=O)(=O)c3ccc(C)cc3)C(=O)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J09 compound treatment 0.497 0.0621 2.96 0.564 0.158 9.53 8.8312 0.8851 3038971 ChemDiv3_014287 OC(=O)Cn1c-2c(CSc3ccc(Cl)cc23)c4ccccc14 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J10 compound treatment 0.429 -0.00588 -0.28 0.5 0.0942 5.67 3.8143 0.6714 3121679 ChemDiv3_014288 CC1(C)CC(=O)C2=C(C1)NCN(CCCN3CCOCC3)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J11 compound treatment 0.419 -0.0159 -0.76 0.529 0.123 7.42 4.7119 0.6317 1032476 ChemDiv3_014289 CN1N=C(CC1=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J12 compound treatment 0.459 0.0241 1.15 0.564 0.158 9.53 7.5503 0.7867 1502309 ChemDiv3_014290 CC(=O)N1C2SC(=NC2(O)c3ccccc13)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J13 compound treatment 0.433 -0.00188 -0.09 0.574 0.168 10.13 7.0996 0.7008 3038974 ChemDiv3_014291 CCC(Sc1nnc2sc3ccccc3n12)C(=O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J14 compound treatment 0.505 0.0701 3.34 0.68 0.274 16.51 14.0395 0.8334 3121680 ChemDiv3_014292 Fc1cccc(Cn2n(Cc3cccc(F)c3)c(=O)n(c4cccc(Cl)c4)c2=O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J15 compound treatment 0.434 -8.75E-4 -0.04 0.519 0.113 6.82 4.7917 0.7028 3038976 ChemDiv3_014293 CCn1cc(C(=O)OCc2ccccc2)c(=O)c3ccc(C)nc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J16 compound treatment 0.434 -8.75E-4 -0.04 0.573 0.167 10.07 7.0908 0.7042 3039041 ChemDiv3_014294 CSc1nc2[nH]c(=O)cc(O)c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J17 compound treatment 0.444 0.00912 0.43 0.561 0.155 9.35 6.9169 0.7392 3039042 ChemDiv3_014295 Oc1ccc(cc1)C2Sc3ccccc3NC4=C2C(=O)c5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J18 compound treatment 0.45 0.0151 0.72 0.517 0.111 6.7 5.2459 0.7787 3039044 ChemDiv3_014296 COCCn1c(NN)nc2ccsc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J19 compound treatment 0.453 0.0181 0.86 0.608 0.202 12.18 9.2213 0.7554 3039045 ChemDiv3_014297 CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n3c4ccccc4oc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J20 compound treatment 0.951 0.516 24.6 0.992 0.586 35.3 42.3564 0.9844 3039047 ChemDiv3_014298 COC(=O)c1cc2ccc3OCN(Cc4ccccc4)Cc3c2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J21 compound treatment 0.449 0.0141 0.67 0.554 0.148 8.93 6.7875 0.7583 3039049 ChemDiv3_014299 N/C(=N\C1=NC(N=C(O1)c2cccnc2)(C(F)(F)F)C(F)(F)F)/Nc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J22 compound treatment 0.431 -0.00388 -0.18 0.439 0.0332 2.0 1.2846 0.6391 3039050 ChemDiv3_014300 CCCOc1ccc(cc1)C(=O)Nc2c(NC)c3ccccc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J23 mock treatment 0.433 -0.00188 -0.09 0.4 -0.00576 -0.35 -0.3084 -0.8612 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 J24 mock treatment 0.432 -0.00288 -0.14 0.405 -7.59E-4 -0.05 -0.1292 -0.8944 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K01 compound treatment 0.461 0.0261 1.25 0.461 0.0552 3.33 3.2325 0.9102 3039052 ChemDiv3_014301 O=C(Cc1ccc(cc1)n2cccc2)N3CCc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K02 compound treatment 0.444 0.00912 0.43 0.426 0.0202 1.22 1.1694 0.9037 1572441 ChemDiv3_014302 COC(=O)c1ccc(cc1)C2NC(CC(=N2)c3cccc(OC)c3)c4ccccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K03 compound treatment 0.486 0.0511 2.44 0.464 0.0582 3.51 4.2029 0.9842 3121681 ChemDiv3_014303 CCOC(=O)c1cc(c2ccc(OC)cc2)n(CCC(=O)N3CCc4ccccc34)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K04 compound treatment 0.528 0.0931 4.44 0.52 0.114 6.88 8.0028 0.9776 1612615 ChemDiv3_014304 CCC(C)NC(=O)c1sc2nc(C)nc(N(C)c3ccc(cc3)C(C)C)c2c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K05 compound treatment 0.477 0.0421 2.01 0.461 0.0552 3.33 3.7718 0.9708 3121682 ChemDiv3_014305 CCc1ccc(cc1)N(CC(=O)NC2CCCC2)S(=O)(=O)c3c(C)noc3C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K06 compound treatment 0.446 0.0111 0.53 0.432 0.0262 1.58 1.4922 0.8954 1732890 ChemDiv3_014306 CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)NC2CCCCC2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K07 compound treatment 0.43 -0.00488 -0.23 0.424 0.0182 1.1 0.6123 0.5454 3121683 ChemDiv3_014307 Clc1ccc(cc1)C2(C#N)N(Nc3ccccc32)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K08 compound treatment 0.448 0.0131 0.63 0.421 0.0152 0.92 1.0913 0.9826 3121684 ChemDiv3_014308 Fc1ccccc1NC(=O)CCN2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K09 compound treatment 0.45 0.0151 0.72 0.431 0.0252 1.52 1.5845 0.9419 3039057 ChemDiv3_014309 CCOC(=O)c1cc(c2ccccc2)n(CCC(=O)N(C)Cc3ccccc3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K10 compound treatment 0.463 0.0281 1.34 0.456 0.0502 3.03 3.087 0.933 3121685 ChemDiv3_014310 Fc1ccccc1NC(=O)CCn2c(=S)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K11 compound treatment 0.376 -0.0589 -2.81 0.484 0.0782 4.71 1.3466 0.2456 3121686 ChemDiv3_014311 CCc1ccccc1NC(=O)Cn2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCCC4C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K12 compound treatment 0.462 0.0271 1.29 0.492 0.0862 5.19 4.586 0.857 1689428 ChemDiv3_014312 Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc2nccs2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K13 compound treatment 0.43 -0.00488 -0.23 0.559 0.153 9.23 6.3599 0.6891 3039060 ChemDiv3_014313 CCOC(=O)c1ccc(n1C)S(=O)(=O)NC2CCCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K14 compound treatment 0.46 0.0251 1.2 0.61 0.204 12.3 9.5424 0.7723 3121687 ChemDiv3_014314 COC(=O)CNC(=O)c1cc2c(=O)oc3ccccc3c2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K15 compound treatment 0.527 0.0921 4.39 0.596 0.19 11.45 11.2048 0.9134 3121688 ChemDiv3_014315 CCOC(=O)c1cc(c2ccc(C)cc2)n(CCCC(=O)Nc3cccc(CC)c3)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K16 compound treatment 0.566 0.131 6.25 0.631 0.225 13.56 14.0095 0.9382 3038992 ChemDiv3_014316 O=C(C/C=N/c1ccccc1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K17 compound treatment 0.436 0.00112 0.05 0.557 0.151 9.11 6.477 0.7113 3121689 ChemDiv3_014317 CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)c1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K18 compound treatment 0.474 0.0391 1.87 0.553 0.147 8.87 7.5876 0.8375 3121690 ChemDiv3_014318 OC(=O)c1ccc(o1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K19 compound treatment 0.432 -0.00288 -0.14 0.535 0.129 7.78 5.4055 0.6945 3121691 ChemDiv3_014319 O=c1ccc(n[nH]1)c2ccc(s2)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K20 compound treatment 0.422 -0.0129 -0.61 0.506 0.1 6.04 3.8338 0.6319 1286152 ChemDiv3_014320 CC(=O)Nc1ccc(cc1)N2S(=O)(=O)c3ccccc3S2(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K21 compound treatment 0.525 0.0901 4.3 0.626 0.22 13.26 12.4146 0.8906 1727899 ChemDiv3_014321 COc1cccc(NC(=O)c2sc3ncnc(N4CCc5ccccc5C4)c3c2C)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K22 compound treatment 0.444 0.00912 0.43 0.421 0.0152 0.92 0.9565 0.9418 3037892 ChemDiv3_014322 CC1=CC=CC2=NC(=O)CC(C)(N12)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K23 mock treatment 0.433 -0.00188 -0.09 0.412 0.00624 0.38 0.2025 0.5243 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 K24 mock treatment 0.451 0.0161 0.77 0.433 0.0272 1.64 1.7033 0.9403 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L01 compound treatment 0.448 0.0131 0.63 0.447 0.0412 2.48 2.1983 0.8584 3121692 ChemDiv3_014323 FC(F)(F)C1=CC(=O)c2cccc3c(NC4CCCCC4)ccc1c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L02 compound treatment 0.471 0.0361 1.72 0.444 0.0382 2.3 2.8458 0.9898 3037895 ChemDiv3_014324 Cc1ccc(cc1)C2=NC(N=C(O2)c3ccco3)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L03 compound treatment 0.447 0.0121 0.58 0.432 0.0262 1.58 1.5259 0.907 3121693 ChemDiv3_014325 Nc1cc(ccc1NCCCN2CCOCC2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L04 compound treatment 0.462 0.0271 1.29 0.453 0.0472 2.84 2.9256 0.9363 3037896 ChemDiv3_014326 Clc1ccc(cc1)C(=O)OCC2CC(=NO2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L05 compound treatment 0.442 0.00712 0.34 0.444 0.0382 2.3 1.8683 0.8027 3121694 ChemDiv3_014327 COc1ccc(cc1)C(N)CCc2ccc(C)o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L06 compound treatment 0.447 0.0121 0.58 0.467 0.0612 3.69 3.016 0.8081 3121695 ChemDiv3_014328 CC1(C)CC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L07 compound treatment 0.44 0.00512 0.24 0.435 0.0292 1.76 1.4177 0.7976 3037899 ChemDiv3_014329 OC(=O)CSCc1ccc(F)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L08 compound treatment 0.443 0.00812 0.39 0.407 0.00124 0.07 0.3267 0.8283 3037900 ChemDiv3_014330 Cc1cc(C)nc(n1)n2cc3c(=O)[nH]c(=S)nc3[nH]2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L09 compound treatment 0.458 0.0231 1.1 0.488 0.0822 4.95 4.2809 0.8439 3121877 ChemDiv3_014331 COC(=O)CC1Oc2ccccc2N(Cc3ccc(C)cc3)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L10 compound treatment 0.438 0.00312 0.15 0.505 0.0992 5.98 4.3305 0.7245 3121878 ChemDiv3_014332 Cc1ccc(NC2=NC(c3ccccc3)n4c(N2)nc(C)cc4=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L11 compound treatment 0.399 -0.0359 -1.71 0.552 0.146 8.81 5.0169 0.5593 1689444 ChemDiv3_014333 Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L12 compound treatment 0.45 0.0151 0.72 0.721 0.315 18.98 13.9311 0.7334 1308505 ChemDiv3_014334 CC(=O)n1c2sc(N)nc2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L13 compound treatment 0.456 0.0211 1.01 0.583 0.177 10.67 8.2581 0.7704 3121879 ChemDiv3_014335 O=C(CSc1nnc2sc3ccccc3n12)N4N=CCC4c5ccccc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L14 compound treatment 0.446 0.0111 0.53 0.632 0.226 13.62 10.0072 0.7341 3037941 ChemDiv3_014336 Cc1n[nH]c(NC2=CC(=O)CC(C2)c3ccc(C)cc3)c1c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L15 compound treatment 0.454 0.0191 0.91 0.514 0.108 6.52 5.253 0.7983 3121880 ChemDiv3_014337 Cc1ccccc1NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c3c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L16 compound treatment 0.471 0.0361 1.72 0.573 0.167 10.07 8.3379 0.8162 3121881 ChemDiv3_014338 O=C(N1CCCCC1)/C(=C/2\C(=O)Nc3ccccc23)/C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L17 compound treatment 0.451 0.0161 0.77 0.508 0.102 6.16 4.8964 0.7893 3037943 ChemDiv3_014339 CC(C)CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)Nc4ccc(cc4)S(=O)(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L18 compound treatment 0.449 0.0141 0.67 0.591 0.185 11.15 8.3627 0.7484 3121882 ChemDiv3_014340 CC(C)Cn1c(=O)c2sccc2n3c(CCCC(=O)N(C)Cc4ccco4)nnc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L19 compound treatment 0.452 0.0171 0.82 0.562 0.156 9.41 7.2292 0.7656 3121883 ChemDiv3_014341 COc1ccc2[nH]cc(CCNC(=O)NC3(C[C@H]4C[C@@H]5C[C@H](C4)C3)C5)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L20 compound treatment 0.453 0.0181 0.86 0.527 0.121 7.3 5.7728 0.7853 3037946 ChemDiv3_014342 Cc1cccc(c1)N2C(=O)NC3CC2(C)Oc4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L21 compound treatment 0.435 1.25E-4 0.01 0.483 0.0772 4.65 3.2927 0.708 3121884 ChemDiv3_014343 FC(F)(F)C1(C2CC(C=C2)N1S(=O)(=O)c3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L22 compound treatment 0.441 0.00612 0.29 0.404 -0.00176 -0.11 0.1316 0.4237 3037948 ChemDiv3_014344 CCOC(=O)CC(=O)Nc1c(NC)c2ccccc2oc1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L23 mock treatment 0.441 0.00612 0.29 0.405 -7.59E-4 -0.05 0.1742 0.5893 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 L24 mock treatment 0.44 0.00512 0.24 0.419 0.0132 0.8 0.7365 0.8832 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M01 compound treatment 0.433 -0.00188 -0.09 0.415 0.00924 0.56 0.3302 0.586 3121885 ChemDiv3_014345 Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)O)c2cc(C)cc(C)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M02 compound treatment 0.44 0.00512 0.24 0.407 0.00124 0.07 0.2256 0.883 1647178 ChemDiv3_014346 CC(C)C1(C)NC(CC(=N1)c2ccc3OCOc3c2)c4ccccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M03 compound treatment 0.476 0.0411 1.96 0.452 0.0462 2.78 3.3549 0.9853 3121886 ChemDiv3_014347 CC12CC(C)(C)NC(=S)N2C(C(=O)O1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M04 compound treatment 0.447 0.0121 0.58 0.442 0.0362 2.18 1.9517 0.8646 1697357 ChemDiv3_014348 Fc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)N3CCC4(CC3)OCCO4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M05 compound treatment 0.44 0.00512 0.24 0.418 0.0122 0.74 0.6939 0.8937 3037952 ChemDiv3_014349 Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCCC(C3)C(=O)NN4CCOCC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M06 compound treatment 0.463 0.0281 1.34 0.439 0.0332 2.0 2.3633 0.981 3121887 ChemDiv3_014350 O=C/1Nc2ccccc2\C1=C\C3CCC=CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M07 compound treatment 0.435 1.25E-4 0.01 0.434 0.0282 1.7 1.2066 0.7096 3121888 ChemDiv3_014351 CCOC(=O)c1cc(c2ccccc2)n(CCC(=O)N(C)C3CCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M08 compound treatment 0.429 -0.00588 -0.28 0.418 0.0122 0.74 0.3231 0.4098 3037954 ChemDiv3_014352 FC(F)(F)c1cccc(NC(=O)CCN2CCN(CC2)C3c4ccccc4-c5ccccc35)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M09 compound treatment 0.442 0.00712 0.34 0.423 0.0172 1.04 0.9742 0.8919 3121889 ChemDiv3_014353 Cn1cnc(c1)S(=O)(=O)Nc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M10 compound treatment 0.442 0.00712 0.34 0.428 0.0222 1.34 1.1871 0.8592 3121890 ChemDiv3_014354 CCc1ccccc1N(C)C(=O)CCn2c(=S)oc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M11 compound treatment 0.442 0.00712 0.34 0.454 0.0482 2.9 2.294 0.7844 3121891 ChemDiv3_014355 O=C(Nc1ccc(cc1)C(=O)N2CCCCC2)c3ccc(=O)[nH]c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M12 compound treatment 0.44 0.00512 0.24 0.461 0.0552 3.33 2.5246 0.757 1616530 ChemDiv3_014356 CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M13 compound treatment 0.44 0.00512 0.24 0.484 0.0782 4.71 3.5039 0.7428 3121892 ChemDiv3_014357 COC(=O)c1ccc(n1C)S(=O)(=O)NCc2cccc(OC)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M14 compound treatment 0.442 0.00712 0.34 0.469 0.0632 3.81 2.9327 0.7671 1631137 ChemDiv3_014358 COC(=O)CNC(=O)c1nn(c2ccc(OC)cc2OC)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M15 compound treatment 0.433 -0.00188 -0.09 0.451 0.0452 2.72 1.8629 0.6835 3121893 ChemDiv3_014359 CCOC(=O)c1cc(c2ccccc2)n(CCCC(=O)N3CCCCC3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M16 compound treatment 0.443 0.00812 0.39 0.423 0.0172 1.04 1.0079 0.9097 1003750 ChemDiv3_014360 COc1ccc(CC(=O)O)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M17 compound treatment 0.461 0.0261 1.25 0.49 0.0842 5.07 4.4672 0.8553 3121894 ChemDiv3_014361 O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M18 compound treatment 0.447 0.0121 0.58 0.456 0.0502 3.03 2.5477 0.8272 1732260 ChemDiv3_014362 NC(=O)C1CCN(CC1)C(=O)C2C(C3CCC2C3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M19 compound treatment 0.476 0.0411 1.96 0.446 0.0402 2.42 3.0995 0.9945 3121895 ChemDiv3_014363 COc1ccc(CCC(=O)Nc2ccc(cc2)c3noc(CCc4ccccc4)n3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M20 compound treatment 0.437 0.00212 0.1 0.438 0.0322 1.94 1.4443 0.743 1644077 ChemDiv3_014364 CC(C)(C)c1cc([nH]n1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M21 compound treatment 0.424 -0.0109 -0.52 0.409 0.00324 0.2 -0.2286 -0.4126 3121896 ChemDiv3_014365 CC(C)CC1NC(CC(=N1)c2ccc(C)cc2)c3ccccc3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M22 compound treatment 0.442 0.00712 0.34 0.42 0.0142 0.86 0.8465 0.9178 3038008 ChemDiv3_014366 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)O)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M23 mock treatment 0.433 -0.00188 -0.09 0.407 0.00124 0.07 -0.0104 -0.0888 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 M24 mock treatment 0.452 0.0171 0.82 0.42 0.0142 0.86 1.1836 0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N01 compound treatment 0.501 0.0661 3.15 0.509 0.103 6.22 6.6244 0.9505 1671367 ChemDiv3_014367 NNc1ccc2c(Cl)cc(Cl)c(O)c2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N02 compound treatment 0.435 1.25E-4 0.01 0.395 -0.0108 -0.65 -0.4538 -0.7006 3121897 ChemDiv3_014368 CCOC(=O)c1ccc(cc1)N2C(=O)NC(C3=C2CC(C)(C)CC3=O)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N03 compound treatment 0.45 0.0151 0.72 0.421 0.0152 0.92 1.1587 0.9929 3038011 ChemDiv3_014369 OC(=O)CCN1C(=O)CC2(CCCCC2)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N04 compound treatment 0.432 -0.00288 -0.14 0.43 0.0242 1.46 0.9352 0.6379 3038012 ChemDiv3_014370 Nc1ncnc2n(CCN3CCCCC3)cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N05 compound treatment 0.434 -8.75E-4 -0.04 0.425 0.0192 1.16 0.7897 0.6812 3121898 ChemDiv3_014371 CCC(C)N1C(CCC1=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N06 compound treatment 0.434 -8.75E-4 -0.04 0.436 0.0302 1.82 1.258 0.6907 3121899 ChemDiv3_014372 Nc1ccccc1NC(=O)c2nc3ccccc3nc2C(O)C(O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N07 compound treatment 0.434 -8.75E-4 -0.04 0.443 0.0372 2.24 1.556 0.6938 3038015 ChemDiv3_014373 OC(=O)C1CN(C2CCCC2)C(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N08 compound treatment 0.426 -0.00888 -0.42 0.438 0.0322 1.94 1.0735 0.5403 3121900 ChemDiv3_014374 CCOC(=O)C1C(NC(=NC1=O)N2CCc3ccccc23)c4ccco4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N09 compound treatment 0.433 -0.00188 -0.09 0.43 0.0242 1.46 0.9689 0.6626 3038017 ChemDiv3_014375 OC(=O)Cn1cc2CCCCc2n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N10 compound treatment 0.436 0.00112 0.05 0.429 0.0232 1.4 1.0274 0.7337 3121901 ChemDiv3_014376 Cc1nc2ccccc2c3N=C(CC(=O)c13)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N11 compound treatment 0.483 0.0481 2.29 0.436 0.0302 1.82 2.9097 0.9935 1871098 ChemDiv3_014377 COc1ccc(cc1)C2C3=C(Nc4[nH]c(=O)[nH]c(=O)c24)c5ccccc5C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N12 compound treatment 0.438 0.00312 0.15 0.441 0.0352 2.12 1.6057 0.7549 3121902 ChemDiv3_014378 CC(=O)n1c2sc(C)nc2c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N13 compound treatment 0.447 0.0121 0.58 0.441 0.0352 2.12 1.9091 0.8681 3121903 ChemDiv3_014379 COc1cc2CCN(Cc2cc1OC)C(=O)CSc3nnc4ccc5ccccc5n34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N14 compound treatment 0.493 0.0581 2.77 0.484 0.0782 4.71 5.2904 0.968 3038019 ChemDiv3_014380 CSc1nc(N)nc2sc(C(=O)C3(CC4CC5CC(C4)C3)C5)c(N)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N15 compound treatment 0.432 -0.00288 -0.14 0.454 0.0482 2.9 1.957 0.673 3122086 ChemDiv3_014381 Cn1c(=O)n(C)c2cc(ccc12)S(=O)(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N16 compound treatment 0.494 0.0591 2.82 0.49 0.0842 5.07 5.5795 0.9615 3038075 ChemDiv3_014382 Fc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)OCc3ccc(Br)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N17 compound treatment 0.479 0.0441 2.1 0.478 0.0722 4.35 4.563 0.9444 3038077 ChemDiv3_014383 CCc1ccc2oc(nc2c1)c3cc(N)cc(C)c3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N18 compound treatment 0.441 0.00612 0.29 0.418 0.0122 0.74 0.7276 0.9178 3122087 ChemDiv3_014384 O=c1[nH]ccn(c2ccccc2)c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N19 compound treatment 0.434 -8.75E-4 -0.04 0.416 0.0102 0.62 0.4065 0.6578 3122088 ChemDiv3_014385 NC1=NC2(CCN(Cc3ccccc3)CC2)n4c(N1)nc5ccccc45 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N20 compound treatment 0.439 0.00412 0.2 0.42 0.0142 0.86 0.7454 0.8473 3038079 ChemDiv3_014386 NC1=NC(N(C(=N1)N)c2ccc(F)c(Cl)c2)c3ccccc3C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N21 compound treatment 0.451 0.0161 0.77 0.426 0.0202 1.22 1.4053 0.9753 3122089 ChemDiv3_014387 FC(F)(F)C1(NN(C(=N1)c2cccnc2)c3ccccc3)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N22 compound treatment 0.426 -0.00888 -0.42 0.401 -0.00476 -0.29 -0.5018 -0.982 3038081 ChemDiv3_014388 CNc1c(NC(=O)c2cccc(F)c2)c(=O)oc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N23 mock treatment 0.436 0.00112 0.05 0.407 0.00124 0.07 0.0908 0.9867 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 N24 mock treatment 0.441 0.00612 0.29 0.4 -0.00576 -0.35 -0.0387 -0.0854 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O01 compound treatment 0.446 0.0111 0.53 0.426 0.0202 1.22 1.2368 0.9305 3122090 ChemDiv3_014389 CCOC(=O)c1cc(c2ccccc2)n(CC(=O)N(C)c3ccc(C)cc3)c1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O02 compound treatment 0.433 -0.00188 -0.09 0.417 0.0112 0.68 0.4154 0.6084 3122091 ChemDiv3_014390 CCOc1ccc(cc1)C2=NC3(CCN(CC3)C(C)C)NC(C2)c4cc(Cl)ccc4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O03 compound treatment 0.43 -0.00488 -0.23 0.415 0.00924 0.56 0.2291 0.38 3038083 ChemDiv3_014391 OC(=O)Cn1c(=O)oc2cc(ccc12)S(=O)(=O)N3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O04 compound treatment 0.454 0.0191 0.91 0.435 0.0292 1.76 1.8896 0.9531 3122092 ChemDiv3_014392 CC1CCCCC1NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O05 compound treatment 0.434 -8.75E-4 -0.04 0.42 0.0142 0.86 0.5768 0.6719 3038085 ChemDiv3_014393 O=C(NC1CCCCC1)C2CCCN2S(=O)(=O)c3ccc4NC(=O)CCc4c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O06 compound treatment 0.496 0.0611 2.91 0.501 0.0952 5.73 6.1153 0.9507 3122093 ChemDiv3_014394 O=C/1Nc2ccccc2\C1=C\c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O07 compound treatment 0.477 0.0421 2.01 0.494 0.0882 5.31 5.1768 0.9114 3038087 ChemDiv3_014395 CN(C)/C=C/c1onc(C)c1S(=O)(=O)N2CCc3ccccc23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O08 compound treatment 0.451 0.0161 0.77 0.443 0.0372 2.24 2.1291 0.8982 1667350 ChemDiv3_014396 Cc1ccccc1CN2CCN(CC2)C(=O)c3ccco3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O09 compound treatment 0.432 -0.00288 -0.14 0.419 0.0132 0.8 0.4668 0.5771 3038090 ChemDiv3_014397 Cc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O10 compound treatment 0.441 0.00612 0.29 0.446 0.0402 2.42 1.9197 0.7866 1501444 ChemDiv3_014398 O=C(NC1CCCC1)C2CCCN2C(=O)OCc3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O11 compound treatment 0.43 -0.00488 -0.23 0.416 0.0102 0.62 0.2717 0.4123 3122094 ChemDiv3_014399 CC1CC(C)CN(C1)C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O12 compound treatment 0.459 0.0241 1.15 0.452 0.0462 2.78 2.7819 0.9235 3038091 ChemDiv3_014400 CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O13 compound treatment 0.428 -0.00688 -0.33 0.425 0.0192 1.16 0.5875 0.4879 3122095 ChemDiv3_014401 Nc1ncc(Br)cc1S(=O)(=O)NCc2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O14 compound treatment 0.441 0.00612 0.29 0.441 0.0352 2.12 1.7069 0.7969 1512154 ChemDiv3_014402 CCCCN(CC)C(=O)c1nn(c2ccc(OC)cc2)c(=O)c3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O15 compound treatment 0.483 0.0481 2.29 0.491 0.0852 5.13 5.2513 0.9341 3122096 ChemDiv3_014403 CN(C)/C=C/c1onc(C)c1S(=O)(=O)Nc2cccc(Cl)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O16 compound treatment 0.429 -0.00588 -0.28 0.438 0.0322 1.94 1.1746 0.5989 1032481 ChemDiv3_014404 CCCCC(=O)c1ccc(O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O17 compound treatment 0.469 0.0341 1.63 0.472 0.0662 3.99 3.9705 0.9218 3122097 ChemDiv3_014405 Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O18 compound treatment 0.493 0.0581 2.77 0.515 0.109 6.58 6.6102 0.9262 1468252 ChemDiv3_014406 CCOC(=O)c1cc(c2ccccc2)n(c1C)c3ccc(cc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O19 compound treatment 0.43 -0.00488 -0.23 0.414 0.00824 0.5 0.1865 0.3405 3122098 ChemDiv3_014407 Brc1ccc(OCc2nc(no2)c3ccc(NC(=O)c4cccnc4)cc3)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O20 compound treatment 0.437 0.00212 0.1 0.441 0.0352 2.12 1.572 0.74 1591637 ChemDiv3_014408 OC(=O)c1n[nH]c2CCCc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O21 compound treatment 0.419 -0.0159 -0.76 0.409 0.00324 0.2 -0.3971 -0.5081 1788098 ChemDiv3_014409 CC(C)C1NC(CC(=N1)c2ccc(C)cc2)c3ccccc3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O22 compound treatment 0.442 0.00712 0.34 0.431 0.0252 1.52 1.3148 0.8443 3037969 ChemDiv3_014410 OC(=O)c1c[nH]nc1c2ccc(F)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O23 mock treatment 0.434 -8.75E-4 -0.04 0.409 0.00324 0.2 0.1085 0.5437 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 O24 mock treatment 0.446 0.0111 0.53 0.421 0.0152 0.92 1.0239 0.966 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P01 compound treatment 0.433 -0.00188 -0.09 0.429 0.0232 1.4 0.9263 0.6606 1024926 ChemDiv3_014411 C1CN(CCN1)C(c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P02 compound treatment 0.435 1.25E-4 0.01 0.425 0.0192 1.16 0.8234 0.7107 3122099 ChemDiv3_014412 CC(N1C(=NC(C2=C1CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)C)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P03 compound treatment 0.464 0.0291 1.39 0.45 0.0442 2.66 2.8653 0.9539 3038022 ChemDiv3_014413 OC(=O)CNC(=S)N(Cc1cccs1)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P04 compound treatment 0.484 0.0491 2.34 0.47 0.0642 3.87 4.3909 0.9711 3122100 ChemDiv3_014414 Cc1cc(=O)oc2cc(OCC3CC(=NO3)c4ccccc4)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P05 compound treatment 0.454 0.0191 0.91 0.443 0.0372 2.24 2.2302 0.9214 1518015 ChemDiv3_014415 Cc1ccc(cc1C)N2CC(CC2=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P06 compound treatment 0.443 0.00812 0.39 0.427 0.0212 1.28 1.1782 0.8817 1048613 ChemDiv3_014416 Oc1c(O)c(CN2CCOCC2)ccc1CN3CCOCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P07 compound treatment 0.449 0.0141 0.67 0.449 0.0432 2.6 2.3171 0.8616 3122101 ChemDiv3_014417 OC(=O)C1CN(CCc2ccccc2)C(=O)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P08 compound treatment 0.447 0.0121 0.58 0.434 0.0282 1.7 1.6111 0.8971 3038025 ChemDiv3_014418 Nc1nc(Nc2ccccc2)c3C(=O)CC(Cc3n1)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P09 compound treatment 0.456 0.0211 1.01 0.455 0.0492 2.96 2.8085 0.897 1459526 ChemDiv3_014419 Cc1nc2cc(ccc2n1c3ccc(Br)cc3)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P10 compound treatment 0.433 -0.00188 -0.09 0.42 0.0142 0.86 0.5431 0.63 3122102 ChemDiv3_014420 Cc1cc(C)nc(NC2=NCN(Cc3ccccc3)CN2Cc4ccccc4)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P11 compound treatment 0.466 0.0311 1.48 0.452 0.0462 2.78 3.0179 0.9566 3038027 ChemDiv3_014421 CSC1=N/C(=C\c2c(C)nn(c2Cl)c3ccccc3)/C(=O)S1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P12 compound treatment 0.432 -0.00288 -0.14 0.42 0.0142 0.86 0.5094 0.5866 3122103 ChemDiv3_014422 CC(=O)n1c2sc(nc2c3ccccc13)c4ccncc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P13 compound treatment 0.452 0.0171 0.82 0.453 0.0472 2.84 2.5885 0.8747 3038029 ChemDiv3_014423 CC(C1CC(=O)N(Cc2ccco2)C1=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P14 compound treatment 0.43 -0.00488 -0.23 0.414 0.00824 0.5 0.1865 0.3405 3122104 ChemDiv3_014424 Cc1ccc(SCC2=NNC(=O)C2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P15 compound treatment 0.413 -0.0219 -1.04 0.412 0.00624 0.38 -0.4716 -0.4255 3122105 ChemDiv3_014425 Oc1ccc(Cl)cc1C(CC(=O)N2CCCCC2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P16 compound treatment 0.447 0.0121 0.58 0.445 0.0392 2.36 2.0794 0.8549 3038032 ChemDiv3_014426 Cc1nn2c(=O)c3ccc(cc3nc2s1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P17 compound treatment 0.45 0.0151 0.72 0.445 0.0392 2.36 2.1805 0.8827 1174453 ChemDiv3_014427 CC(=O)Nc1ccc(NC2SC(=O)NC2=O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P18 compound treatment 0.556 0.121 5.77 0.553 0.147 8.87 10.3516 0.9784 3038034 ChemDiv3_014428 Cc1ccc(cc1)c2n[nH]c3NC4=C(C(c23)c5ccccc5)C(=O)CC(C)(C)C4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P19 compound treatment 0.443 0.00812 0.39 0.424 0.0182 1.1 1.0505 0.902 3122106 ChemDiv3_014429 CC1CC(=O)C2=C(C1)Nc3ncnn3C2c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P20 compound treatment 0.428 -0.00688 -0.33 0.425 0.0192 1.16 0.5875 0.4879 3122107 ChemDiv3_014430 Cc1cc(C)cc(c1)N2C(N=C(N)N=C2N)c3cccc(Cl)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P21 compound treatment 0.459 0.0241 1.15 0.424 0.0182 1.1 1.5898 0.9997 3038092 ChemDiv3_014431 CC1=CC2=NC(N=C(C)N2C=C1)(C(F)(F)F)C(F)(F)F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P22 compound treatment 0.43 -0.00488 -0.23 0.404 -0.00176 -0.11 -0.2392 -0.9366 3122108 ChemDiv3_014432 CCNc1c(NC(=O)CC2(CC3CC4CC(C3)C2)C4)c(=O)oc5ccccc15 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P23 mock treatment 0.438 0.00312 0.15 0.429 0.0232 1.4 1.0948 0.778 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2041 P24 mock treatment 0.42 -0.0149 -0.71 0.396 -0.00976 -0.59 -0.9169 -0.9956 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A01 mock treatment 0.432 0.0018 0.09 0.429 -0.00284 -0.17 -0.0605 -0.316 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A02 mock treatment 0.432 0.0018 0.09 0.427 -0.00484 -0.29 -0.1457 -0.4792 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A03 compound treatment 0.423 -0.0072 -0.34 0.433 0.00116 0.07 -0.1936 -0.5525 3045683 SPBio_001601 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A04 compound treatment 0.415 -0.0152 -0.72 0.426 -0.00584 -0.35 -0.7613 -0.9449 3177591 SPBio_001602 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A05 compound treatment 0.406 -0.0242 -1.15 0.409 -0.0228 -1.38 -1.7884 -0.9962 1465 SPBio_001603 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A06 compound treatment 0.417 -0.0132 -0.63 0.428 -0.00384 -0.23 -0.6087 -0.9077 2475 SPBio_001604 CC(=CC1C(C(=O)O)C1(C)C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A07 compound treatment 0.421 -0.0092 -0.44 0.434 0.00216 0.13 -0.2184 -0.4774 1489 SPBio_001605 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A08 compound treatment 0.425 -0.0052 -0.25 0.426 -0.00584 -0.35 -0.4242 -0.9854 1013144 SPBio_001606 O=C1OC(=O)C2C3CCC(O3)C21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A09 compound treatment 0.424 -0.0062 -0.3 0.421 -0.0108 -0.65 -0.6708 -0.9359 1459 SPBio_001607 OC1CCN(CCCN2c3ccccc3Sc4ccc(C#N)cc24)CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A10 compound treatment 0.442 0.0118 0.56 0.439 0.00716 0.43 0.7023 0.9914 3059791 SPBio_001608 Nc1nc(cs1)/C(=C/CC(=O)O)/C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A11 compound treatment 0.431 7.97E-4 0.04 0.437 0.00516 0.31 0.2464 0.7878 1495 SPBio_001609 OC(=O)CCCCC1CCSS1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A12 compound treatment 0.445 0.0148 0.71 0.446 0.0142 0.85 1.1015 0.9956 3059465 SPBio_001610 Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A13 compound treatment 0.559 0.129 6.14 0.564 0.132 7.96 9.968 0.9918 1317 SPBio_001611 Fc1ccc(cc1)C(c2ccccc2)(c3ccccc3F)n4ccnc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A14 compound treatment 0.421 -0.0092 -0.44 0.422 -0.00984 -0.59 -0.7293 -0.989 3480112 SPBio_001612 CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A15 compound treatment 0.422 -0.0082 -0.39 0.422 -0.00984 -0.59 -0.6956 -0.9796 1605 SPBio_001613 OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A16 compound treatment 0.495 0.0648 3.09 0.501 0.0692 4.16 5.1285 0.9892 3079224 SPBio_001614 COC1=C(O)C(=O)c2c(O)c3c(O)c(oc3cc2C1=O)C(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A17 compound treatment 0.417 -0.0132 -0.63 0.421 -0.0108 -0.65 -0.9067 -0.9998 839435 SPBio_001615 NCCCCNC(=N)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A18 compound treatment 0.427 -0.0032 -0.15 0.424 -0.00784 -0.47 -0.4419 -0.8903 3079225 SPBio_001616 OC(=O)CCC1NCC2CC1CN3CCCCC23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A19 compound treatment 0.443 0.0128 0.61 0.428 -0.00384 -0.23 0.2677 0.4103 3250 SPBio_001617 CCCCCCCCCCCCCCCCCCOCC(O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A20 compound treatment 0.426 -0.0042 -0.2 0.429 -0.00284 -0.17 -0.2627 -0.9969 1592184 SPBio_001618 O=C1CCCC2C3CC(CN21)[C@@H]4CCCCN4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A21 compound treatment 0.421 -0.0092 -0.44 0.415 -0.0168 -1.01 -1.0273 -0.9297 1537011 SPBio_001619 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A22 compound treatment 0.421 -0.0092 -0.44 0.422 -0.00984 -0.59 -0.7293 -0.989 3079226 SPBio_001620 C1CN2Cc3ccccc3N=C2C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A23 mock treatment 0.424 -0.0062 -0.3 0.42 -0.0118 -0.71 -0.7133 -0.924 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 A24 mock treatment 0.427 -0.0032 -0.15 0.426 -0.00584 -0.35 -0.3568 -0.9302 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B01 mock treatment 0.446 0.0158 0.75 0.443 0.0112 0.67 1.0074 0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B02 mock treatment 0.437 0.0068 0.32 0.444 0.0122 0.73 0.7467 0.9328 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B03 compound treatment 0.445 0.0148 0.71 0.448 0.0162 0.97 1.1866 0.9875 2060222 SPBio_001621 C/C/1=C\CCC(=O)C2CC(C)(C)C2CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B04 compound treatment 0.431 7.97E-4 0.04 0.445 0.0132 0.79 0.587 0.7402 2515 SPBio_001622 CCCCCCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B05 compound treatment 0.428 -0.0022 -0.11 0.435 0.00316 0.19 0.0601 0.2769 1099943 SPBio_001623 COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B06 compound treatment 0.442 0.0118 0.56 0.446 0.0142 0.85 1.0003 0.9796 2517 SPBio_001624 CC(C)N(C(=O)CCl)c1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B07 compound treatment 0.442 0.0118 0.56 0.451 0.0192 1.15 1.2132 0.9455 2060382 SPBio_001625 C/C/1=C\CC(C)(C)\C=C\CC2(C)OC2CC1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B08 compound treatment 0.44 0.0098 0.47 0.451 0.0192 1.15 1.1458 0.9208 2518 SPBio_001626 CCCCSP(=O)(SCCCC)SCCCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B09 compound treatment 0.47 0.0398 1.9 0.479 0.0472 2.84 3.3491 0.9808 1981222 SPBio_001627 CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B10 compound treatment 0.433 0.0028 0.13 0.438 0.00616 0.37 0.3564 0.9047 2519 SPBio_001628 CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B11 compound treatment 0.44 0.0098 0.47 0.435 0.00316 0.19 0.4646 0.9215 3174236 SPBio_001629 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cc(cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B12 compound treatment 0.444 0.0138 0.66 0.438 0.00616 0.37 0.7272 0.9632 2479 SPBio_001630 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B13 compound treatment 0.447 0.0168 0.8 0.452 0.0202 1.21 1.4243 0.9796 2060221 SPBio_001631 COc1ccc(cc1)[C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B14 compound treatment 0.441 0.0108 0.51 0.443 0.0112 0.67 0.8389 0.9914 2480 SPBio_001632 COP(=S)(OC)SCn1nnc2ccccc2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B15 compound treatment 0.444 0.0138 0.66 0.444 0.0122 0.73 0.9826 0.9986 2060258 SPBio_001633 CC(=O)O[C@H]1Cc2c(OC(=O)C)cc(OC(=O)C)cc2O[C@@H]1c3ccc(OC(=O)C)c(OC(=O)C)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B16 compound treatment 0.441 0.0108 0.51 0.448 0.0162 0.97 1.0518 0.9557 2513 SPBio_001634 OC(=O)CNCP(=O)(O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B17 compound treatment 0.446 0.0158 0.75 0.454 0.0222 1.33 1.4758 0.9634 2060256 SPBio_001635 CC(=CC1C(CO)C1(C)C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B18 compound treatment 0.441 0.0108 0.51 0.448 0.0162 0.97 1.0518 0.9557 2514 SPBio_001636 CCCCCCC(C)OC(=O)COc1ccc(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B19 compound treatment 0.439 0.0088 0.42 0.443 0.0112 0.67 0.7715 0.9743 1952709 SPBio_001637 COc1ccc2c(C)cc(=O)oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B20 compound treatment 0.438 0.0078 0.37 0.437 0.00516 0.31 0.4823 0.996 2478 SPBio_001638 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B21 compound treatment 0.451 0.0208 0.99 0.447 0.0152 0.91 1.3463 0.9991 1000110 SPBio_001639 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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B22 compound treatment 0.442 0.0118 0.56 0.453 0.0212 1.27 1.2984 0.9325 2512 SPBio_001640 COC(=O)COc1cc(Cl)c(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B23 mock treatment 0.444 0.0138 0.66 0.441 0.00916 0.55 0.8549 0.9961 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 B24 mock treatment 0.437 0.0068 0.32 0.437 0.00516 0.31 0.4486 0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C01 mock treatment 0.411 -0.0192 -0.92 0.411 -0.0208 -1.25 -1.5347 -0.988 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C02 mock treatment 0.413 -0.0172 -0.82 0.424 -0.00784 -0.47 -0.9138 -0.9656 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C03 compound treatment 0.427 -0.0032 -0.15 0.428 -0.00384 -0.23 -0.2716 -0.9796 3172723 SPBio_001641 CC(=O)OC[C@@]1(O)C[C@@]2(C[C@H]1CCC23)CCC4c5ccoc5CC[C@@]43C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C04 compound treatment 0.414 -0.0162 -0.77 0.422 -0.00984 -0.59 -0.9653 -0.9914 3198437 SPBio_001642 C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1OC([C@H](O)[C@@H]1O)n2ccc(N)nc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C05 compound treatment 0.405 -0.0252 -1.2 0.411 -0.0208 -1.25 -1.737 -0.9998 1978 SPBio_001643 OC(=O)/C=C/c1ccc(O)c(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C06 compound treatment 0.421 -0.0092 -0.44 0.419 -0.0128 -0.77 -0.857 -0.9639 3079227 SPBio_001644 [O-][N+](=O)/N=C/1\NCCN1Cc2ccc(Cl)cc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C07 compound treatment 0.414 -0.0162 -0.77 0.417 -0.0148 -0.89 -1.1781 -0.9974 2060330 SPBio_001645 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C08 compound treatment 0.427 -0.0032 -0.15 0.434 0.00216 0.13 -0.0162 -0.0807 3079228 SPBio_001646 CCNC(=O)CC[C@H](N)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C09 compound treatment 0.402 -0.0282 -1.34 0.407 -0.0248 -1.5 -2.0084 -0.9986 2060332 SPBio_001647 OC/C=C/c1ccc(O)c(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C10 compound treatment 0.392 -0.0382 -1.82 0.39 -0.0418 -2.52 -3.0692 -0.9873 3076175 SPBio_001648 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C11 compound treatment 0.423 -0.0072 -0.34 0.421 -0.0108 -0.65 -0.7045 -0.955 907149 SPBio_001649 CN(C)c1nc(N)c(nc1Cl)C(=O)NC(=N)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C12 compound treatment 0.438 0.0078 0.37 0.444 0.0122 0.73 0.7804 0.9506 3198531 SPBio_001650 COc1ccc(cc1)c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C13 compound treatment 0.419 -0.0112 -0.53 0.42 -0.0118 -0.71 -0.8819 -0.9899 1316 SPBio_001651 CC(C)(C)NCC(O)c1ccccc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C14 compound treatment 0.422 -0.0082 -0.39 0.424 -0.00784 -0.47 -0.6105 -0.9956 1672 SPBio_001652 OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C15 compound treatment 0.398 -0.0322 -1.54 0.39 -0.0418 -2.52 -2.867 -0.9718 2060337 SPBio_001653 COc1ccc(cc1O)c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C16 compound treatment 0.421 -0.0092 -0.44 0.421 -0.0108 -0.65 -0.7719 -0.9813 1045397 SPBio_001654 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C17 compound treatment 0.537 0.107 5.09 0.506 0.0742 4.46 6.7571 0.9979 2060338 SPBio_001655 CC(C)c1ccc2c(CC[C@H]3C4=C(CC[C@@]32C)C(=O)OC4)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C18 compound treatment 0.424 -0.0062 -0.3 0.425 -0.00684 -0.41 -0.5005 -0.9868 1034727 SPBio_001656 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C19 compound treatment 0.415 -0.0152 -0.72 0.412 -0.0198 -1.19 -1.3573 -0.9713 2060340 SPBio_001657 CC(=O)/C(=C\c1ccccc1)/CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C20 compound treatment 0.413 -0.0172 -0.82 0.421 -0.0108 -0.65 -1.0415 -0.9936 351 SPBio_001658 CC(C)NCC(O)COc1cccc2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C21 compound treatment 0.458 0.0278 1.33 0.456 0.0242 1.45 1.9654 0.9989 1020994 SPBio_001659 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C22 compound treatment 0.414 -0.0162 -0.77 0.414 -0.0178 -1.07 -1.3059 -0.9869 2660 SPBio_001660 CCN(C(=O)/C=C/C)c1ccccc1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C23 mock treatment 0.406 -0.0242 -1.15 0.413 -0.0188 -1.13 -1.6181 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 C24 mock treatment 0.419 -0.0112 -0.53 0.416 -0.0158 -0.95 -1.0522 -0.9624 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D01 mock treatment 0.429 -0.0012 -0.06 0.437 0.00516 0.31 0.179 0.5669 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D02 mock treatment 0.426 -0.0042 -0.2 0.436 0.00416 0.25 0.0353 0.11 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D03 compound treatment 0.444 0.0138 0.66 0.435 0.00316 0.19 0.5994 0.8756 2060195 SPBio_001661 CC1(C)CC23C1CCC3(C)C(O)CCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D04 compound treatment 0.435 0.0048 0.23 0.426 -0.00584 -0.35 -0.0871 -0.2076 2510 SPBio_001662 COC(=O)COc1ccc(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D05 compound treatment 0.436 0.0058 0.28 0.432 1.56E-4 0.01 0.2021 0.7308 2060197 SPBio_001663 COC1(C)CCC2OC2(C)CCC3C1CC3(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D06 compound treatment 0.427 -0.0032 -0.15 0.424 -0.00784 -0.47 -0.4419 -0.8903 2511 SPBio_001664 COC(=O)CCCOc1ccc(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D07 compound treatment 0.444 0.0138 0.66 0.439 0.00716 0.43 0.7697 0.979 2069257 SPBio_001665 CC1(C)CC2C1CCC(=C)C(O)CCC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D08 compound treatment 0.431 7.97E-4 0.04 0.444 0.0122 0.73 0.5444 0.7428 2509 SPBio_001666 CCc1cccc(CC)c1N(COC)C(=O)CCl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D09 compound treatment 0.428 -0.0022 -0.11 0.434 0.00216 0.13 0.0175 0.105 2060199 SPBio_001667 CC1(C)CC2C1CCC3(C)OC2(C)CCC3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D10 compound treatment 0.429 -0.0012 -0.06 0.429 -0.00284 -0.17 -0.1616 -0.8951 2507 SPBio_001668 OC(=O)CCCOc1ccc(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D11 compound treatment 0.431 7.97E-4 0.04 0.44 0.00816 0.49 0.3741 0.7595 2060200 SPBio_001669 CC12CCC3C(CC3(C)C)C(C)(O)CCC2O1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D12 compound treatment 0.434 0.0038 0.18 0.434 0.00216 0.13 0.2198 0.9867 2506 SPBio_001670 OC(=O)COc1ccc(Cl)cc1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D13 compound treatment 0.427 -0.0032 -0.15 0.444 0.0122 0.73 0.4096 0.5478 2060202 SPBio_001671 CC1(C)CC2C1CCC3(C)OC2(C)CCC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D14 compound treatment 0.434 0.0038 0.18 0.427 -0.00484 -0.29 -0.0782 -0.2279 2481 SPBio_001672 CCOP(=S)(OCC)SCCSCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D15 compound treatment 0.43 -2.03E-4 -0.01 0.429 -0.00284 -0.17 -0.1279 -0.7459 2060204 SPBio_001673 CC(=O)OC1CC(C)(C)C2CCC3(C)CC12CCC3OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D16 compound treatment 0.435 0.0048 0.23 0.435 0.00316 0.19 0.2961 0.9958 2482 SPBio_001674 CCOC(=O)/C=C(\C)/OP(=O)(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D17 compound treatment 0.448 0.0178 0.85 0.445 0.0132 0.79 1.16 0.9994 2060219 SPBio_001675 CC(=O)OC/1CCC(=C)[C@H]2CC(C)(C)[C@@H]2C\C=C1/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D18 compound treatment 0.433 0.0028 0.13 0.437 0.00516 0.31 0.3138 0.9288 2483 SPBio_001676 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D19 compound treatment 0.437 0.0068 0.32 0.431 -8.44E-4 -0.05 0.1932 0.589 2060264 SPBio_001677 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D20 compound treatment 0.425 -0.0052 -0.25 0.434 0.00216 0.13 -0.0836 -0.2986 2485 SPBio_001678 CCS(=O)CCSP(=O)(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D21 compound treatment 0.478 0.0478 2.28 0.467 0.0352 2.12 3.1079 0.9993 2060266 SPBio_001679 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D22 compound treatment 0.423 -0.0072 -0.34 0.429 -0.00284 -0.17 -0.3639 -0.9483 2490 SPBio_001680 CCOP(=S)(OCC)SCSCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D23 mock treatment 0.428 -0.0022 -0.11 0.428 -0.00384 -0.23 -0.2379 -0.9361 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 D24 mock treatment 0.428 -0.0022 -0.11 0.426 -0.00584 -0.35 -0.3231 -0.8798 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E01 mock treatment 0.426 -0.0042 -0.2 0.424 -0.00784 -0.47 -0.4756 -0.9271 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E02 mock treatment 0.44 0.0098 0.47 0.437 0.00516 0.31 0.5498 0.9803 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E03 compound treatment 0.438 0.0078 0.37 0.456 0.0242 1.45 1.2913 0.8602 3172852 SPBio_001681 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E04 compound treatment 0.43 -2.03E-4 -0.01 0.438 0.00616 0.37 0.2553 0.6884 3079229 SPBio_001682 CC1(C)C2CC(O)C(C)(O)CC21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E05 compound treatment 0.449 0.0188 0.9 0.441 0.00916 0.55 1.0234 0.9728 3172853 SPBio_001683 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@@H](O)COC2O[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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E06 compound treatment 0.452 0.0218 1.04 0.45 0.0182 1.09 1.5077 0.9997 1053060 SPBio_001684 COc1ccc(cc1OC)c2oc3ccccc3c(=O)c2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E07 compound treatment 0.435 0.0048 0.23 0.441 0.00916 0.55 0.5515 0.9241 2060345 SPBio_001685 C[C@@H]1OC(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](OC9OC[C@H](O)[C@H](O)[C@H]9OC%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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E08 compound treatment 0.446 0.0158 0.75 0.455 0.0232 1.39 1.5183 0.9582 1864491 SPBio_001686 COc1ccc(cc1)c2coc3cc(OC)cc(OC)c3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E09 compound treatment 0.546 0.116 5.52 0.549 0.117 7.05 8.8911 0.9926 829 SPBio_001687 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E10 compound treatment 0.443 0.0128 0.61 0.446 0.0142 0.85 1.0341 0.9865 3198532 SPBio_001688 COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E11 compound treatment 0.434 0.0038 0.18 0.424 -0.00784 -0.47 -0.206 -0.4072 1054504 SPBio_001689 COc1c(OCC(O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E12 compound treatment 0.439 0.0088 0.42 0.448 0.0162 0.97 0.9844 0.9293 435 SPBio_001690 CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E13 compound treatment 0.427 -0.0032 -0.15 0.445 0.0132 0.79 0.4522 0.5605 1024517 SPBio_001691 COc1cc2CCNC(C)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E14 compound treatment 0.433 0.0028 0.13 0.429 -0.00284 -0.17 -0.0268 -0.1235 832325 SPBio_001692 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E15 compound treatment 0.43 -2.03E-4 -0.01 0.442 0.0102 0.61 0.4256 0.6958 3079221 SPBio_001693 O=c1cccc2C3CC(Cn21)[C@@H]4CCCCN4C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E16 compound treatment 0.445 0.0148 0.71 0.436 0.00416 0.25 0.6757 0.9028 1099044 SPBio_001694 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E17 compound treatment 0.449 0.0188 0.9 0.438 0.00616 0.37 0.8957 0.9237 2060358 SPBio_001695 C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]31CC[C@@](CO)(CCO)O3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E18 compound treatment 0.542 0.112 5.33 0.551 0.119 7.17 8.8415 0.9893 3198533 SPBio_001696 CCc1c(C)c2=Cc3c(C=C)c(C)c4C=c5c(C)c(CCC(=O)O)c6=C7C(C(=O)O)C(=O)c8c(C)c9C=c1n2[Cu](n9c78)(n43)n56 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E19 compound treatment 0.458 0.0278 1.33 0.457 0.0252 1.51 2.008 0.9978 2060328 SPBio_001697 CC(C)CC(=O)c1c(O)c(C)c(O)c2c1oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E20 compound treatment 0.439 0.0088 0.42 0.439 0.00716 0.43 0.6012 0.9999 1017318 SPBio_001698 NC(=O)c1ccc(N)nc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E21 compound treatment 0.486 0.0558 2.66 0.488 0.0562 3.38 4.2716 0.9929 2060307 SPBio_001699 COc1ccc2[C@@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E22 compound treatment 0.429 -0.0012 -0.06 0.434 0.00216 0.13 0.0512 0.3611 2109 SPBio_001700 OCc1c[nH]c2ccccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E23 mock treatment 0.431 7.97E-4 0.04 0.429 -0.00284 -0.17 -0.0942 -0.5372 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 E24 mock treatment 0.441 0.0108 0.51 0.439 0.00716 0.43 0.6686 0.9961 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F01 mock treatment 0.44 0.0098 0.47 0.431 -8.44E-4 -0.05 0.2943 0.6265 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F02 mock treatment 0.441 0.0108 0.51 0.436 0.00416 0.25 0.5409 0.9451 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F03 compound treatment 0.449 0.0188 0.9 0.451 0.0192 1.15 1.4492 0.9922 2060268 SPBio_001701 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F04 compound treatment 0.444 0.0138 0.66 0.435 0.00316 0.19 0.5994 0.8756 2486 SPBio_001702 CNC(=O)CSP(=S)(OC)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F05 compound treatment 0.454 0.0238 1.13 0.453 0.0212 1.27 1.7029 0.9983 2060270 SPBio_001703 CC(C)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)N)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F06 compound treatment 0.443 0.0128 0.61 0.442 0.0102 0.61 0.8638 1.0 2488 SPBio_001704 CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F07 compound treatment 0.449 0.0188 0.9 0.458 0.0262 1.57 1.7472 0.9643 2060272 SPBio_001705 CC1CCC2C(CC2(C)C)C(=C)CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F08 compound treatment 0.45 0.0198 0.94 0.45 0.0182 1.09 1.4403 0.9973 2489 SPBio_001706 COP(=O)(N)SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F09 compound treatment 0.449 0.0188 0.9 0.43 -0.00184 -0.11 0.5551 0.6148 2060274 SPBio_001707 CC(C)C1CC=C(C)C2CC(=O)C(=CC12)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F10 compound treatment 0.438 0.0078 0.37 0.447 0.0152 0.91 0.9081 0.9216 3046265 SPBio_001708 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F11 compound treatment 0.443 0.0128 0.61 0.442 0.0102 0.61 0.8638 1.0 3053888 SPBio_001709 CC(=CCC[C@](C)(OC(=O)C)C1CCC(=CC1)C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F12 compound treatment 0.465 0.0348 1.66 0.46 0.0282 1.7 2.3717 0.9999 2534 SPBio_001710 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F13 compound treatment 0.438 0.0078 0.37 0.452 0.0202 1.21 1.121 0.8832 3053889 SPBio_001711 C[C@@H]1CC[C@H]2C(C)(C)C3CC12CC[C@@]3(C)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F14 compound treatment 0.516 0.0858 4.09 0.498 0.0662 3.98 5.7086 0.9999 1304 SPBio_001712 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC54)C3C1(Cl)C2(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F15 compound treatment 0.463 0.0328 1.56 0.462 0.0302 1.82 2.3894 0.9972 2069281 SPBio_001713 C[C@@]12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C2CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F16 compound treatment 0.5 0.0698 3.33 0.484 0.0522 3.14 4.5732 0.9996 2535 SPBio_001714 CC1(C)C(C(Cl)Cl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F17 compound treatment 0.457 0.0268 1.28 0.45 0.0182 1.09 1.6763 0.997 3053891 SPBio_001715 OC(=O)C/C(=C\C(=O)O)/C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F18 compound treatment 0.456 0.0258 1.23 0.442 0.0102 0.61 1.302 0.948 2536 SPBio_001716 ClC1CC2C(C1Cl)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F19 compound treatment 0.44 0.0098 0.47 0.448 0.0162 0.97 1.0181 0.9435 1045072 SPBio_001717 NC(CSCSCC(N)C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F20 compound treatment 0.438 0.0078 0.37 0.439 0.00716 0.43 0.5675 0.9973 2520 SPBio_001718 Clc1ccc(Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F21 compound treatment 0.439 0.0088 0.42 0.437 0.00516 0.31 0.516 0.9891 3054971 SPBio_001719 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F22 compound treatment 0.387 -0.0432 -2.06 0.386 -0.0458 -2.76 -3.4081 -0.9896 2521 SPBio_001720 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F23 mock treatment 0.438 0.0078 0.37 0.443 0.0112 0.67 0.7378 0.9611 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 F24 mock treatment 0.444 0.0138 0.66 0.437 0.00516 0.31 0.6846 0.9413 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G01 mock treatment 0.411 -0.0192 -0.92 0.423 -0.00884 -0.53 -1.0238 -0.9668 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G02 mock treatment 0.436 0.0058 0.28 0.43 -0.00184 -0.11 0.1169 0.3926 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G03 compound treatment 0.438 0.0078 0.37 0.43 -0.00184 -0.11 0.1843 0.4752 3079222 SPBio_001721 CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(=O)C)c3c(=O)cc(oc3c2)c4ccc(OC(=O)C)cc4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G04 compound treatment 0.434 0.0038 0.18 0.437 0.00516 0.31 0.3475 0.967 122 SPBio_001722 C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G05 compound treatment 0.581 0.151 7.19 0.53 0.0982 5.91 9.262 0.9953 2060255 SPBio_001723 CC(=O)Oc1ccc(/C=C/c2cc(OC(=O)C)cc(OC(=O)C)c2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G06 compound treatment 0.441 0.0108 0.51 0.435 0.00316 0.19 0.4983 0.9083 1788 SPBio_001724 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G07 compound treatment 0.44 0.0098 0.47 0.44 0.00816 0.49 0.6775 0.9997 3054095 SPBio_001725 CCC(/C=C/[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G08 compound treatment 0.436 0.0058 0.28 0.443 0.0112 0.67 0.6704 0.923 3304 SPBio_001726 Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G09 compound treatment 0.435 0.0048 0.23 0.428 -0.00384 -0.23 -0.002 -0.006 3174115 SPBio_001727 CC[C@H](CCC(C)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G10 compound treatment 0.928 0.498 23.73 0.932 0.5 30.11 38.0736 0.993 3055363 SPBio_001728 COc1cc(/C=C/C(=C/C(=O)\C=C\c2ccc(O)c(OC)c2)/O)ccc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G11 compound treatment 0.429 -0.0012 -0.06 0.431 -8.44E-4 -0.05 -0.0765 -0.9982 2060290 SPBio_001729 C[C@@H]1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(C(O)C[C@]54C)C(=O)O[C@@H]7OC[C@H](O)[C@@H](O)[C@H]7OC8O[C@@H](C)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G12 compound treatment 0.473 0.0428 2.04 0.453 0.0212 1.27 2.3433 0.9743 1912 SPBio_001730 [O-][N+](=O)c1cccc2cn[nH]c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G13 compound treatment 0.438 0.0078 0.37 0.446 0.0142 0.85 0.8655 0.9308 3055472 SPBio_001731 CC(C)CCCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G14 compound treatment 0.431 7.97E-4 0.04 0.436 0.00416 0.25 0.2038 0.8052 1003535 SPBio_001732 ONC(=O)Cc1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G15 compound treatment 0.427 -0.0032 -0.15 0.431 -8.44E-4 -0.05 -0.1439 -0.8942 3055308 SPBio_001733 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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G16 compound treatment 0.433 0.0028 0.13 0.437 0.00516 0.31 0.3138 0.9288 2060198 SPBio_001734 COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G17 compound treatment 0.478 0.0478 2.28 0.463 0.0312 1.88 2.9376 0.9953 2060301 SPBio_001735 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O)cc3o2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G18 compound treatment 0.436 0.0058 0.28 0.439 0.00716 0.43 0.5001 0.9769 3198534 SPBio_001736 OCC(O)CC(O)CCCCCCCCCCCC=C.OCC(O)CC(O)CCCCCCCCCCCC#C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G19 compound treatment 0.422 -0.0082 -0.39 0.428 -0.00384 -0.23 -0.4402 -0.9687 1119359 SPBio_001737 COc1cc2ccc(=O)oc2c(O)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G20 compound treatment 0.437 0.0068 0.32 0.43 -0.00184 -0.11 0.1506 0.4397 3198535 SPBio_001738 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@]2(C)C3CC[C@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G21 compound treatment 0.437 0.0068 0.32 0.434 0.00216 0.13 0.3209 0.9194 3055306 SPBio_001739 C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G22 compound treatment 0.426 -0.0042 -0.2 0.43 -0.00184 -0.11 -0.2202 -0.9612 734 SPBio_001740 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G23 mock treatment 0.429 -0.0012 -0.06 0.42 -0.0118 -0.71 -0.5448 -0.7615 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 G24 mock treatment 0.425 -0.0052 -0.25 0.428 -0.00384 -0.23 -0.339 -0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H01 mock treatment 0.434 0.0038 0.18 0.428 -0.00384 -0.23 -0.0357 -0.1214 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H02 mock treatment 0.431 7.97E-4 0.04 0.421 -0.0108 -0.65 -0.4348 -0.6648 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H03 compound treatment 0.434 0.0038 0.18 0.429 -0.00284 -0.17 0.0069 0.0277 1007364 SPBio_001741 CCOC(=O)C1C(C=C(C)C)C1(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H04 compound treatment 0.424 -0.0062 -0.3 0.427 -0.00484 -0.29 -0.4153 -1.0 2522 SPBio_001742 CNC(=O)Oc1cccc2CC(C)(C)Oc21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H05 compound treatment 0.435 0.0048 0.23 0.431 -8.44E-4 -0.05 0.1258 0.5369 852250 SPBio_001743 C1CCC(NC1)c2cccnc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H06 compound treatment 0.43 -2.03E-4 -0.01 0.425 -0.00684 -0.41 -0.2982 -0.7235 3172728 SPBio_001744 CNC(=O)O/N=C(/C)\SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H07 compound treatment 0.421 -0.0092 -0.44 0.416 -0.0158 -0.95 -0.9848 -0.9379 1610 SPBio_001745 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H08 compound treatment 0.453 0.0228 1.09 0.456 0.0242 1.45 1.7969 0.9897 2527 SPBio_001746 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H09 compound treatment 0.427 -0.0032 -0.15 0.455 0.0232 1.39 0.8779 0.6259 1014978 SPBio_001747 OCC(O)C(O)C(O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H10 compound treatment 0.431 7.97E-4 0.04 0.424 -0.00784 -0.47 -0.3071 -0.6481 2530 SPBio_001748 CCCSP(=O)(OCC)SCCC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H11 compound treatment 0.426 -0.0042 -0.2 0.425 -0.00684 -0.41 -0.433 -0.9451 1003823 SPBio_001749 Cc1occc(=O)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H12 compound treatment 0.43 -2.03E-4 -0.01 0.423 -0.00884 -0.53 -0.3834 -0.7198 2532 SPBio_001750 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H13 compound treatment 0.428 -0.0022 -0.11 0.441 0.00916 0.55 0.3156 0.5623 1052459 SPBio_001751 COc1c2ccoc2cc3oc(C)cc(=O)c13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H14 compound treatment 0.463 0.0328 1.56 0.464 0.0322 1.94 2.4745 0.9944 2491 SPBio_001752 COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H15 compound treatment 0.439 0.0088 0.42 0.434 0.00216 0.13 0.3883 0.8846 2069297 SPBio_001753 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H16 compound treatment 0.442 0.0118 0.56 0.443 0.0112 0.67 0.8726 0.9961 2492 SPBio_001754 CC(C)Nc1nc(Cl)nc(NC(C)C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H17 compound treatment 0.441 0.0108 0.51 0.438 0.00616 0.37 0.626 0.987 470 SPBio_001755 OC(=O)CCCc1ccccc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H18 compound treatment 0.425 -0.0052 -0.25 0.417 -0.0148 -0.89 -0.8074 -0.8704 2493 SPBio_001756 CCC(=O)Nc1ccc(Cl)c(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H19 compound treatment 0.426 -0.0042 -0.2 0.433 0.00116 0.07 -0.0925 -0.4359 1000133 SPBio_001757 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H20 compound treatment 0.439 0.0088 0.42 0.433 0.00116 0.07 0.3457 0.8134 2494 SPBio_001758 CCNc1nc(Cl)nc(NCC)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H21 compound treatment 0.435 0.0048 0.23 0.434 0.00216 0.13 0.2535 0.964 2060499 SPBio_001759 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H22 compound treatment 0.421 -0.0092 -0.44 0.423 -0.00884 -0.53 -0.6867 -0.9954 2495 SPBio_001760 CCNc1nc(Cl)nc(NC(C)C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H23 mock treatment 0.433 0.0028 0.13 0.43 -0.00184 -0.11 0.0158 0.0909 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 H24 mock treatment 0.42 -0.0102 -0.49 0.426 -0.00584 -0.35 -0.5927 -0.9874 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I01 mock treatment 0.432 0.0018 0.09 0.433 0.00116 0.07 0.1098 0.9947 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I02 mock treatment 0.435 0.0048 0.23 0.434 0.00216 0.13 0.2535 0.964 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I03 compound treatment 0.432 0.0018 0.09 0.43 -0.00184 -0.11 -0.0179 -0.1279 2060321 SPBio_001761 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)cc(oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I04 compound treatment 0.43 -2.03E-4 -0.01 0.433 0.00116 0.07 0.0424 0.603 2060201 SPBio_001762 CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I05 compound treatment 0.571 0.141 6.71 0.569 0.137 8.26 10.5853 0.9947 3173485 SPBio_001763 OC[C@H]1O[C@H](Oc2cccc3[C@H]([C@@H]4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I06 compound treatment 0.474 0.0438 2.09 0.47 0.0382 2.3 3.1008 0.9989 2069229 SPBio_001764 Oc1ccc2oc3ccccc3c(=O)c2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I07 compound treatment 0.416 -0.0142 -0.68 0.407 -0.0248 -1.5 -1.5365 -0.9358 2060342 SPBio_001765 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I08 compound treatment 0.439 0.0088 0.42 0.444 0.0122 0.73 0.8141 0.9651 2060279 SPBio_001766 CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC4C5CC(C)(C)CCC5(CC[C@]43C)C(=O)O)C1(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I09 compound treatment 0.43 -2.03E-4 -0.01 0.438 0.00616 0.37 0.2553 0.6884 2060442 SPBio_001767 CCC(N)C(O)c1ccc(O)c(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I10 compound treatment 0.446 0.0158 0.75 0.442 0.0102 0.61 0.9649 0.9947 2069285 SPBio_001768 CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc2cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I11 compound treatment 0.428 -0.0022 -0.11 0.423 -0.00884 -0.53 -0.4508 -0.8306 2060343 SPBio_001769 CCCc1occc(=O)c1/C=C/O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I12 compound treatment 0.441 0.0108 0.51 0.436 0.00416 0.25 0.5409 0.9451 2524 SPBio_001770 COP(=O)(NC(=O)C)SC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I13 compound treatment 0.435 0.0048 0.23 0.431 -8.44E-4 -0.05 0.1258 0.5369 2060303 SPBio_001771 Cc1occc(=O)c1/C=C/O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I14 compound treatment 0.432 0.0018 0.09 0.436 0.00416 0.25 0.2375 0.898 2528 SPBio_001772 CNC(=O)Oc1cccc2OC(C)(C)Oc21 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I15 compound treatment 0.428 -0.0022 -0.11 0.42 -0.0118 -0.71 -0.5785 -0.8026 1000697 SPBio_001773 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I16 compound treatment 0.436 0.0058 0.28 0.427 -0.00484 -0.29 -0.0108 -0.0269 2060192 SPBio_001774 CC1(C)CC2C1CCC3(C)CCCC2(O)C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I17 compound treatment 0.444 0.0138 0.66 0.443 0.0112 0.67 0.94 0.9999 1835 SPBio_001775 CCCc1nn(C)c2c(=O)[nH]c(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I18 compound treatment 0.437 0.0068 0.32 0.446 0.0142 0.85 0.8318 0.9122 3079231 SPBio_001776 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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I19 compound treatment 0.553 0.123 5.85 0.538 0.106 6.39 8.6588 0.999 2060453 SPBio_001777 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I20 compound treatment 0.433 0.0028 0.13 0.436 0.00416 0.25 0.2712 0.9565 1393 SPBio_001778 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I21 compound treatment 0.423 -0.0072 -0.34 0.434 0.00216 0.13 -0.151 -0.4113 2060298 SPBio_001779 CCCCCC1C(CC(=O)O)CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I22 compound treatment 0.433 0.0028 0.13 0.436 0.00416 0.25 0.2712 0.9565 3055569 SPBio_001780 OCc1cccnc1.OC(C(O)C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I23 mock treatment 0.431 7.97E-4 0.04 0.434 0.00216 0.13 0.1187 0.8772 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 I24 mock treatment 0.424 -0.0062 -0.3 0.446 0.0142 0.85 0.3936 0.4363 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J01 mock treatment 0.434 0.0038 0.18 0.424 -0.00784 -0.47 -0.206 -0.4072 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J02 mock treatment 0.428 -0.0022 -0.11 0.415 -0.0168 -1.01 -0.7914 -0.7762 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J03 compound treatment 0.423 -0.0072 -0.34 0.421 -0.0108 -0.65 -0.7045 -0.955 2060362 SPBio_001781 COc1ccc(cc1)c2c(OC)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J04 compound treatment 0.424 -0.0062 -0.3 0.421 -0.0108 -0.65 -0.6708 -0.9359 2497 SPBio_001782 CNC(=O)N(C)c1nnc(s1)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J05 compound treatment 0.422 -0.0082 -0.39 0.422 -0.00984 -0.59 -0.6956 -0.9796 2060104 SPBio_001783 COc1cc(C)c2c(=O)c3c(O)cc(O)cc3oc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J06 compound treatment 0.431 7.97E-4 0.04 0.422 -0.00984 -0.59 -0.3922 -0.6604 2498 SPBio_001784 COc1c(Cl)ccc(Cl)c1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J07 compound treatment 0.435 0.0048 0.23 0.431 -8.44E-4 -0.05 0.1258 0.5369 1029490 SPBio_001785 COc1cc(O)c(C)c(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J08 compound treatment 0.455 0.0248 1.18 0.456 0.0242 1.45 1.8643 0.9947 2499 SPBio_001786 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J09 compound treatment 0.427 -0.0032 -0.15 0.424 -0.00784 -0.47 -0.4419 -0.8903 1060118 SPBio_001787 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J10 compound treatment 0.422 -0.0082 -0.39 0.424 -0.00784 -0.47 -0.6105 -0.9956 2500 SPBio_001788 COc1nc(NC(C)C)nc(NC(C)C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J11 compound treatment 0.424 -0.0062 -0.3 0.425 -0.00684 -0.41 -0.5005 -0.9868 2542 SPBio_001789 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J12 compound treatment 0.426 -0.0042 -0.2 0.426 -0.00584 -0.35 -0.3905 -0.9644 2501 SPBio_001790 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J13 compound treatment 0.487 0.0568 2.71 0.476 0.0442 2.66 3.7944 1.0 2060080 SPBio_001791 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6CC4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J14 compound treatment 0.423 -0.0072 -0.34 0.421 -0.0108 -0.65 -0.7045 -0.955 2502 SPBio_001792 Clc1cccc(Cl)c1C#N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J15 compound treatment 0.422 -0.0082 -0.39 0.429 -0.00284 -0.17 -0.3976 -0.9314 1471 SPBio_001793 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J16 compound treatment 0.425 -0.0052 -0.25 0.425 -0.00684 -0.41 -0.4668 -0.9705 2503 SPBio_001794 CSc1nc(NC(C)C)nc(NC(C)C)n1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J17 compound treatment 0.434 0.0038 0.18 0.44 0.00816 0.49 0.4752 0.908 832 SPBio_001795 CCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J18 compound treatment 0.445 0.0148 0.71 0.448 0.0162 0.97 1.1866 0.9875 2504 SPBio_001796 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J19 compound treatment 0.461 0.0308 1.47 0.462 0.0302 1.82 2.322 0.9944 3198539 SPBio_001797 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(\C)/C(=O)N)(OC5(C)C)C6=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J20 compound treatment 0.425 -0.0052 -0.25 0.432 1.56E-4 0.01 -0.1687 -0.6798 2505 SPBio_001798 CC(C)N1C(=O)c2ccccc2NS1(=O)=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J21 compound treatment 0.434 0.0038 0.18 0.432 1.56E-4 0.01 0.1346 0.7429 2069318 SPBio_001799 C[C@@H](NC(=O)/C(=C\c1ccc(O)c(O)c1)/C#N)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J22 compound treatment 0.443 0.0128 0.61 0.455 0.0232 1.39 1.4172 0.9313 2537 SPBio_001800 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J23 mock treatment 0.427 -0.0032 -0.15 0.422 -0.00984 -0.59 -0.5271 -0.8612 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 J24 mock treatment 0.424 -0.0062 -0.3 0.434 0.00216 0.13 -0.1173 -0.3632 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K01 mock treatment 0.424 -0.0062 -0.3 0.423 -0.00884 -0.53 -0.5856 -0.9615 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K02 mock treatment 0.43 -2.03E-4 -0.01 0.448 0.0162 0.97 0.681 0.7 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K03 compound treatment 0.39 -0.0402 -1.92 0.406 -0.0258 -1.56 -2.4554 -0.9947 2060271 SPBio_001801 CCC(C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)CC)c(O)c3c2c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K04 compound treatment 0.431 7.97E-4 0.04 0.429 -0.00284 -0.17 -0.0942 -0.5372 1048 SPBio_001802 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K05 compound treatment 0.604 0.174 8.28 0.596 0.164 9.88 12.8472 0.9961 1386109 SPBio_001803 Oc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K06 compound treatment 0.422 -0.0082 -0.39 0.43 -0.00184 -0.11 -0.355 -0.8733 709 SPBio_001804 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K07 compound treatment 0.437 0.0068 0.32 0.426 -0.00584 -0.35 -0.0197 -0.0412 907120 SPBio_001805 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K08 compound treatment 0.443 0.0128 0.61 0.443 0.0112 0.67 0.9063 0.9988 744 SPBio_001806 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K09 compound treatment 0.43 -2.03E-4 -0.01 0.426 -0.00584 -0.35 -0.2556 -0.7263 2060459 SPBio_001807 OC[C@H]1OC2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K10 compound treatment 0.437 0.0068 0.32 0.439 0.00716 0.43 0.5338 0.9901 1416 SPBio_001808 Cn1c(=O)n(C)c2[nH]c(nc2c1=O)C3CCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K11 compound treatment 0.431 7.97E-4 0.04 0.433 0.00116 0.07 0.0761 0.9594 1001314 SPBio_001809 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@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K12 compound treatment 0.435 0.0048 0.23 0.44 0.00816 0.49 0.5089 0.9395 1505 SPBio_001810 CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K13 compound treatment 0.431 7.97E-4 0.04 0.43 -0.00184 -0.11 -0.0516 -0.4401 3474314 SPBio_001811 CN1CCCCC1C(=O)Nc2c(C)cccc2C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K14 compound treatment 0.435 0.0048 0.23 0.442 0.0102 0.61 0.5941 0.91 1587004 SPBio_001812 COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K15 compound treatment 0.425 -0.0052 -0.25 0.433 0.00116 0.07 -0.1262 -0.4897 2060476 SPBio_001813 C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K16 compound treatment 0.437 0.0068 0.32 0.483 0.0512 3.08 2.4071 0.7772 4362 SPBio_001814 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K17 compound treatment 0.43 -2.03E-4 -0.01 0.449 0.0172 1.03 0.7236 0.7004 1095093 SPBio_001815 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K18 compound treatment 0.428 -0.0022 -0.11 0.447 0.0152 0.91 0.571 0.6216 80 SPBio_001816 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K19 compound treatment 0.425 -0.0052 -0.25 0.432 1.56E-4 0.01 -0.1687 -0.6798 1101055 SPBio_001817 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K20 compound treatment 0.435 0.0048 0.23 0.435 0.00316 0.19 0.2961 0.9958 3173239 SPBio_001818 CC(N/C(=N/C#N)/Nc1ccncc1)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K21 compound treatment 0.479 0.0488 2.33 0.483 0.0512 3.08 3.8228 0.9904 2060432 SPBio_001819 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)cc5cc4Cn3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K22 compound treatment 0.433 0.0028 0.13 0.439 0.00716 0.43 0.399 0.8845 1000056 SPBio_001820 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K23 mock treatment 0.42 -0.0102 -0.49 0.438 0.00616 0.37 -0.0818 -0.1338 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 K24 mock treatment 0.441 0.0108 0.51 0.447 0.0152 0.91 1.0092 0.9633 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L01 mock treatment 0.44 0.0098 0.47 0.428 -0.00384 -0.23 0.1666 0.3196 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L02 mock treatment 0.43 -2.03E-4 -0.01 0.43 -0.00184 -0.11 -0.0853 -0.7659 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L03 compound treatment 0.439 0.0088 0.42 0.429 -0.00284 -0.17 0.1755 0.3873 3079366 SPBio_001821 O[C@@H]1[C@H]2COC(O2)[C@H](O)[C@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L04 compound treatment 0.438 0.0078 0.37 0.438 0.00616 0.37 0.5249 1.0 2538 SPBio_001822 ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L05 compound treatment 0.436 0.0058 0.28 0.432 1.56E-4 0.01 0.2021 0.7308 1516 SPBio_001823 Nc1c2CCCCc2nc3ccccc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L06 compound treatment 0.436 0.0058 0.28 0.429 -0.00284 -0.17 0.0743 0.2286 2539 SPBio_001824 CC1(C)C2(Cl)C(Cl)C1(Cl)C(Cl)(C(Cl)Cl)C(Cl)C2Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L07 compound treatment 0.412 -0.0182 -0.87 0.404 -0.0278 -1.68 -1.799 -0.953 26 SPBio_001825 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L08 compound treatment 0.421 -0.0092 -0.44 0.436 0.00416 0.25 -0.1333 -0.2639 2541 SPBio_001826 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L09 compound treatment 0.466 0.0358 1.71 0.447 0.0152 0.91 1.8519 0.957 690 SPBio_001827 CC(C)NCC(O)COc1ccccc1CC=C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L10 compound treatment 0.439 0.0088 0.42 0.444 0.0122 0.73 0.8141 0.9651 2540 SPBio_001828 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L11 compound treatment 0.435 0.0048 0.23 0.436 0.00416 0.25 0.3386 0.999 1395 SPBio_001829 CC(COc1ccccc1)N(CCCl)Cc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L12 compound treatment 0.437 0.0068 0.32 0.447 0.0152 0.91 0.8744 0.9029 2060152 SPBio_001830 CC(=O)O[C@@H]1CC2C(C)(C)C=CC(=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L13 compound treatment 0.445 0.0148 0.71 0.444 0.0122 0.73 1.0163 0.9998 74 SPBio_001831 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L14 compound treatment 0.429 -0.0012 -0.06 0.446 0.0142 0.85 0.5621 0.658 3198541 SPBio_001832 CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)C4(C)CC[C@H](OC(=O)C)C(C)(C)C4CC3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L15 compound treatment 0.44 0.0098 0.47 0.442 0.0102 0.61 0.7626 0.9911 907089 SPBio_001833 Cn1c(=O)n(C)c2ncn(CCCl)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L16 compound treatment 0.521 0.0908 4.33 0.554 0.122 7.35 8.2613 0.968 2060174 SPBio_001834 CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3c(=O)c(O)c(oc13)c4ccccc4)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L17 compound treatment 0.44 0.0098 0.47 0.451 0.0192 1.15 1.1458 0.9208 352677 SPBio_001835 COc1ccccc1N2CCNCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L18 compound treatment 0.42 -0.0102 -0.49 0.436 0.00416 0.25 -0.167 -0.3053 3173763 SPBio_001836 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L19 compound treatment 0.434 0.0038 0.18 0.442 0.0102 0.61 0.5604 0.8787 718 SPBio_001837 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L20 compound treatment 0.433 0.0028 0.13 0.439 0.00716 0.43 0.399 0.8845 1171 SPBio_001838 CC(=O)Oc1ccccc1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L21 compound treatment 0.413 -0.0172 -0.82 0.422 -0.00984 -0.59 -0.999 -0.9873 1865 SPBio_001839 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L22 compound treatment 0.423 -0.0072 -0.34 0.437 0.00516 0.31 -0.0233 -0.0503 2060217 SPBio_001840 COc1c(ccc2OC(C)(C)CCc12)C3COc4cc5OC(C)(C)C(O)Cc5cc4C3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L23 mock treatment 0.424 -0.0062 -0.3 0.437 0.00516 0.31 0.0104 0.0243 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 L24 mock treatment 0.422 -0.0082 -0.39 0.439 0.00716 0.43 0.0282 0.0484 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M01 mock treatment 0.429 -0.0012 -0.06 0.422 -0.00984 -0.59 -0.4596 -0.7719 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M02 mock treatment 0.427 -0.0032 -0.15 0.443 0.0112 0.67 0.367 0.5328 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M03 compound treatment 0.556 0.126 6.0 0.549 0.117 7.05 9.2282 0.9967 1091368 SPBio_001841 CNc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M04 compound treatment 0.443 0.0128 0.61 0.434 0.00216 0.13 0.5232 0.8388 918 SPBio_001842 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M05 compound treatment 0.44 0.0098 0.47 0.431 -8.44E-4 -0.05 0.2943 0.6265 1015899 SPBio_001843 NCC(=O)CCC(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M06 compound treatment 0.451 0.0208 0.99 0.447 0.0152 0.91 1.3463 0.9991 693 SPBio_001844 CCN(CC)CCOc1ccc-2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc32 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M07 compound treatment 0.438 0.0078 0.37 0.43 -0.00184 -0.11 0.1843 0.4752 1001204 SPBio_001845 COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M08 compound treatment 0.45 0.0198 0.94 0.459 0.0272 1.64 1.8235 0.9659 2069286 SPBio_001846 CC(C)C(C)/C=C/C(C)[C@H]1CCC2C3=CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M09 compound treatment 0.429 -0.0012 -0.06 0.44 0.00816 0.49 0.3067 0.6203 2060486 SPBio_001847 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M10 compound treatment 0.478 0.0478 2.28 0.478 0.0462 2.78 3.5762 0.9951 3054523 SPBio_001848 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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M11 compound treatment 0.467 0.0368 1.75 0.469 0.0372 2.24 2.8223 0.9928 1000656 SPBio_001849 OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M12 compound treatment 0.44 0.0098 0.47 0.435 0.00316 0.19 0.4646 0.9215 3198536 SPBio_001850 COc1ccc2C[C@H]3N(C)CC[C@]4([C@H]5Oc1c24)C3=CC[C@@H]5O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M13 compound treatment 0.438 0.0078 0.37 0.427 -0.00484 -0.29 0.0566 0.1198 2060416 SPBio_001851 Sc1nc2ccccc2s1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M14 compound treatment 0.436 0.0058 0.28 0.432 1.56E-4 0.01 0.2021 0.7308 1014978 SPBio_001852 OCC(O)C(O)C(O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M15 compound treatment 0.428 -0.0022 -0.11 0.441 0.00916 0.55 0.3156 0.5623 3079223 SPBio_001853 Cl.NCCS 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M16 compound treatment 0.436 0.0058 0.28 0.448 0.0162 0.97 0.8832 0.8734 3079232 SPBio_001854 COc1ccc2c(=O)ccoc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M17 compound treatment 0.435 0.0048 0.23 0.437 0.00516 0.31 0.3812 0.9887 3172732 SPBio_001855 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@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M18 compound treatment 0.451 0.0208 0.99 0.455 0.0232 1.39 1.6869 0.986 3198537 SPBio_001856 CC(C)c1c(O)ccc2c1CCC3C(C)(CCCC32C)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M19 compound treatment 0.424 -0.0062 -0.3 0.429 -0.00284 -0.17 -0.3302 -0.9663 907181 SPBio_001857 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M20 compound treatment 0.429 -0.0012 -0.06 0.438 0.00616 0.37 0.2215 0.5907 1049467 SPBio_001858 COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M21 compound treatment 0.403 -0.0272 -1.3 0.411 -0.0208 -1.25 -1.8044 -0.9999 1734308 SPBio_001859 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M22 compound treatment 0.438 0.0078 0.37 0.443 0.0112 0.67 0.7378 0.9611 2069239 SPBio_001860 Cc1cc(O)c2C(=O)c3c(O)c(C)cc(O)c3C(=O)c2c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M23 mock treatment 0.425 -0.0052 -0.25 0.437 0.00516 0.31 0.0441 0.1111 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 M24 mock treatment 0.435 0.0048 0.23 0.44 0.00816 0.49 0.5089 0.9395 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N01 mock treatment 0.436 0.0058 0.28 0.436 0.00416 0.25 0.3724 0.9988 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N02 mock treatment 0.427 -0.0032 -0.15 0.428 -0.00384 -0.23 -0.2716 -0.9796 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N03 compound treatment 0.44 0.0098 0.47 0.437 0.00516 0.31 0.5498 0.9803 1055442 SPBio_001861 Nc1nc(O)c2nc(cnc2n1)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N04 compound treatment 0.436 0.0058 0.28 0.432 1.56E-4 0.01 0.2021 0.7308 2060172 SPBio_001862 CC1(C)CC2C1CCC3(CBr)CCC4C(CC(=O)O)C(=O)OC24C3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N05 compound treatment 0.442 0.0118 0.56 0.436 0.00416 0.25 0.5746 0.9335 2060299 SPBio_001863 CC1(C)CC2/C(=C/C=C/C(C)(O)CCC21O)/CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N06 compound treatment 0.432 0.0018 0.09 0.428 -0.00384 -0.23 -0.1031 -0.4177 1019872 SPBio_001864 COc1cc2COC(=O)c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N07 compound treatment 0.439 0.0088 0.42 0.427 -0.00484 -0.29 0.0903 0.1768 2069306 SPBio_001865 C[C@@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N08 compound treatment 0.438 0.0078 0.37 0.426 -0.00584 -0.35 0.014 0.0274 2060193 SPBio_001866 CC1(C)C2CC1C(=C)C(N)C2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N09 compound treatment 0.433 0.0028 0.13 0.426 -0.00584 -0.35 -0.1545 -0.4107 3173755 SPBio_001867 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N10 compound treatment 0.443 0.0128 0.61 0.443 0.0112 0.67 0.9063 0.9988 2060191 SPBio_001868 CC1(C)CC2C1CCC(=O)C(CCC2=C)C3CC(=O)OC3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N11 compound treatment 0.432 0.0018 0.09 0.436 0.00416 0.25 0.2375 0.898 3177324 SPBio_001869 C[C@@]12CC(=O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N12 compound treatment 0.436 0.0058 0.28 0.429 -0.00284 -0.17 0.0743 0.2286 1114909 SPBio_001870 COc1cc(CC=C)ccc1OC(=O)c2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N13 compound treatment 0.461 0.0308 1.47 0.453 0.0212 1.27 1.9388 0.9975 2069240 SPBio_001871 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3C(=O)C[C@@]21C)OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N14 compound treatment 0.428 -0.0022 -0.11 0.433 0.00116 0.07 -0.025 -0.1987 3054634 SPBio_001872 COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N15 compound treatment 0.446 0.0158 0.75 0.441 0.00916 0.55 0.9223 0.9882 2060261 SPBio_001873 CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@@H]2CCC4[C@@]5(C)CCCC(C)(C)C5[C@@H](O)C[C@]43C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N16 compound treatment 0.444 0.0138 0.66 0.437 0.00516 0.31 0.6846 0.9413 3174602 SPBio_001874 O=c1[nH]cnc2nc[nH]c12 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N17 compound treatment 0.44 0.0098 0.47 0.44 0.00816 0.49 0.6775 0.9997 1506 SPBio_001875 OCc1cc(=O)c(O)co1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N18 compound treatment 0.431 7.97E-4 0.04 0.431 -8.44E-4 -0.05 -0.0091 -0.1429 3174484 SPBio_001876 C[C@@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@@]43C)C2CCC1=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N19 compound treatment 0.465 0.0348 1.66 0.47 0.0382 2.3 2.7974 0.9872 2060349 SPBio_001877 CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N20 compound treatment 0.441 0.0108 0.51 0.436 0.00416 0.25 0.5409 0.9451 2060302 SPBio_001878 CC(C)CCC[C@@H](C)CCC[C@@H](C)CC/C(=C/CO)/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N21 compound treatment 0.44 0.0098 0.47 0.439 0.00716 0.43 0.6349 0.9992 3198540 SPBio_001879 COC(=O)/C(=C/CC1(OC(C)(C)C2CC3C=C4C(=O)c5cc6C7CC(C)(CCC7=C(C)C)Oc6c(CCC(C)(C)Cl)c5OC241)C3=O)/C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N22 compound treatment 0.423 -0.0072 -0.34 0.423 -0.00884 -0.53 -0.6193 -0.9775 3174493 SPBio_001880 N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N23 mock treatment 0.427 -0.0032 -0.15 0.43 -0.00184 -0.11 -0.1865 -0.9877 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 N24 mock treatment 0.429 -0.0012 -0.06 0.442 0.0102 0.61 0.3918 0.638 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O01 mock treatment 0.424 -0.0062 -0.3 0.436 0.00416 0.25 -0.0321 -0.083 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O02 mock treatment 0.435 0.0048 0.23 0.438 0.00616 0.37 0.4238 0.9731 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O03 compound treatment 0.418 -0.0122 -0.58 0.431 -8.44E-4 -0.05 -0.4473 -0.7659 1000094 SPBio_001881 CCC(C)(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 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O04 compound treatment 0.431 7.97E-4 0.04 0.426 -0.00584 -0.35 -0.2219 -0.6271 3079279 SPBio_001882 COC(=O)c1c(C)cc(O)cc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O05 compound treatment 0.432 0.0018 0.09 0.432 1.56E-4 0.01 0.0672 0.7801 2101 SPBio_001883 Oc1ccc(O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O06 compound treatment 0.452 0.0218 1.04 0.441 0.00916 0.55 1.1245 0.956 3055391 SPBio_001884 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O07 compound treatment 0.407 -0.0232 -1.11 0.394 -0.0378 -2.28 -2.3933 -0.9449 3480079 SPBio_001885 COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O08 compound treatment 0.442 0.0118 0.56 0.446 0.0142 0.85 1.0003 0.9796 3198538 SPBio_001886 COc1cc2OCOc2cc1c3coc4cc(OC)c(OC)cc4c3=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O09 compound treatment 0.448 0.0178 0.85 0.436 0.00416 0.25 0.7768 0.8783 3177524 SPBio_001887 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O10 compound treatment 0.443 0.0128 0.61 0.433 0.00116 0.07 0.4806 0.7827 2060249 SPBio_001888 COc1ccc(cc1)c2coc3c(OC)c(O)ccc3c2=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O11 compound treatment 0.437 0.0068 0.32 0.444 0.0122 0.73 0.7467 0.9328 1635 SPBio_001889 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn[nH]5 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O12 compound treatment 0.425 -0.0052 -0.25 0.437 0.00516 0.31 0.0441 0.1111 3079280 SPBio_001890 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O13 compound treatment 0.441 0.0108 0.51 0.429 -0.00284 -0.17 0.2429 0.4477 1000155 SPBio_001891 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O14 compound treatment 0.433 0.0028 0.13 0.442 0.0102 0.61 0.5267 0.8415 1002679 SPBio_001892 OCC(O)C(O)C(O)C(O)C(O)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O15 compound treatment 0.475 0.0448 2.14 0.472 0.0402 2.42 3.2196 0.9981 1606766 SPBio_001893 CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O16 compound treatment 0.437 0.0068 0.32 0.428 -0.00384 -0.23 0.0655 0.1644 2060353 SPBio_001894 Cc1c(O)cc(O)c2c(=O)c(coc12)c3ccc(O)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O17 compound treatment 0.488 0.0578 2.76 0.499 0.0672 4.04 4.8074 0.9825 3059445 SPBio_001895 CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O18 compound treatment 0.444 0.0138 0.66 0.448 0.0162 0.97 1.1529 0.9818 2060132 SPBio_001896 CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O19 compound treatment 0.46 0.0298 1.42 0.457 0.0252 1.51 2.0754 0.9995 3480074 SPBio_001897 CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O20 compound treatment 0.49 0.0598 2.85 0.49 0.0582 3.5 4.4916 0.9948 2060134 SPBio_001898 COc1cc2ccc(=O)oc2c3ccoc13 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O21 compound treatment 0.438 0.0078 0.37 0.422 -0.00984 -0.59 -0.1563 -0.2234 907463 SPBio_001899 Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O22 compound treatment 0.439 0.0088 0.42 0.443 0.0112 0.67 0.7715 0.9743 2060220 SPBio_001900 CC/1[C@H]2C[C@@H](C\C1=N/O)C2(C)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O23 mock treatment 0.429 -0.0012 -0.06 0.431 -8.44E-4 -0.05 -0.0765 -0.9982 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 O24 mock treatment 0.441 0.0108 0.51 0.446 0.0142 0.85 0.9666 0.9708 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P01 mock treatment 0.443 0.0128 0.61 0.433 0.00116 0.07 0.4806 0.7827 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P02 mock treatment 0.437 0.0068 0.32 0.435 0.00316 0.19 0.3635 0.9677 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P03 compound treatment 0.451 0.0208 0.99 0.446 0.0142 0.85 1.3037 0.9972 1087705 SPBio_001901 CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P04 compound treatment 0.43 -2.03E-4 -0.01 0.429 -0.00284 -0.17 -0.1279 -0.7459 290 SPBio_001902 CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)C)CO 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P05 compound treatment 0.432 0.0018 0.09 0.44 0.00816 0.49 0.4078 0.8181 2543 SPBio_001903 CCCCCCCCCc1ccc(O)cc1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P06 compound treatment 0.439 0.0088 0.42 0.429 -0.00284 -0.17 0.1755 0.3873 2060293 SPBio_001904 C[C@@H]1CC[C@H]2C(C)(C)C3C[C@@]12CC[C@@]3(C)OC(=O)C 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P07 compound treatment 0.483 0.0528 2.52 0.487 0.0552 3.32 4.1279 0.9906 2069261 SPBio_001905 COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P08 compound treatment 0.434 0.0038 0.18 0.43 -0.00184 -0.11 0.0495 0.2331 1305 SPBio_001906 CCOC(=O)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(OC)cc34 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P09 compound treatment 0.431 7.97E-4 0.04 0.434 0.00216 0.13 0.1187 0.8772 2060403 SPBio_001907 COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P10 compound treatment 0.426 -0.0042 -0.2 0.43 -0.00184 -0.11 -0.2202 -0.9612 2325 SPBio_001908 NC(C(O)C(=O)O)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P11 compound treatment 0.427 -0.0032 -0.15 0.436 0.00416 0.25 0.069 0.2353 3079389 SPBio_001909 COc1cc(OC)c(C(=O)c2ccc(O)cc2)c(OC)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P12 compound treatment 0.428 -0.0022 -0.11 0.424 -0.00784 -0.47 -0.4082 -0.8437 2544 SPBio_001910 CCOCN(C(=O)CCl)c1c(C)cccc1CC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P13 compound treatment 0.439 0.0088 0.42 0.438 0.00616 0.37 0.5586 0.9981 2060426 SPBio_001911 COc1c(O)cccc1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P14 compound treatment 0.428 -0.0022 -0.11 0.43 -0.00184 -0.11 -0.1528 -0.9996 1004713 SPBio_001912 CNc1ccccc1C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P15 compound treatment 0.444 0.0138 0.66 0.438 0.00616 0.37 0.7272 0.9632 1402956 SPBio_001913 CC(N)C(O)c1ccc(O)c(O)c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P16 compound treatment 0.442 0.0118 0.56 0.438 0.00616 0.37 0.6597 0.9795 1040795 SPBio_001914 COc1cccc(O)c1O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P17 compound treatment 0.449 0.0188 0.9 0.452 0.0202 1.21 1.4917 0.9889 1010251 SPBio_001915 O=C(Nc1ccccc1)Nc2ccccc2 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P18 compound treatment 0.439 0.0088 0.42 0.425 -0.00684 -0.41 0.0052 0.0088 2060417 SPBio_001916 CC(=C)C1Cc2c(O1)ccc(C(=O)O)c2O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P19 compound treatment 0.437 0.0068 0.32 0.446 0.0142 0.85 0.8318 0.9122 2069279 SPBio_001917 CCC(C)C(NC)C(=O)O 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P20 compound treatment 0.435 0.0048 0.23 0.435 0.00316 0.19 0.2961 0.9958 2060436 SPBio_001918 O=C(CCCCCCCCCCCCC1CCCC1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CCCCCCCCCCCCC4CCCC4)cc3 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P21 compound treatment 0.447 0.0168 0.8 0.438 0.00616 0.37 0.8283 0.9387 2069262 SPBio_001919 COc1cc(/C=C/C=O)cc(OC)c1OC 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P22 compound treatment 0.428 -0.0022 -0.11 0.436 0.00416 0.25 0.1027 0.3784 2060448 SPBio_001920 COc1ccc2[C@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P23 mock treatment 0.441 0.0108 0.51 0.434 0.00216 0.13 0.4557 0.8586 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.2163 P24 mock treatment 0.423 -0.0072 -0.34 0.435 0.00316 0.19 -0.1084 -0.2763 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A01 mock treatment 0.424 -0.014 -0.67 0.421 -0.0121 -0.73 -0.9876 -0.9992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A02 mock treatment 0.427 -0.011 -0.53 0.431 -0.00207 -0.12 -0.4607 -0.8511 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A03 mock treatment 0.419 -0.019 -0.91 0.427 -0.00607 -0.37 -0.9007 -0.92 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A04 mock treatment 0.422 -0.016 -0.77 0.431 -0.00207 -0.12 -0.6292 -0.8117 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A05 mock treatment 0.425 -0.013 -0.62 0.427 -0.00607 -0.37 -0.6984 -0.9679 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A06 mock treatment 0.421 -0.017 -0.81 0.425 -0.00807 -0.49 -0.9184 -0.9698 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A07 mock treatment 0.418 -0.02 -0.96 0.427 -0.00607 -0.37 -0.9344 -0.9131 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A08 mock treatment 0.427 -0.011 -0.53 0.425 -0.00807 -0.49 -0.7161 -0.9992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A09 mock treatment 0.43 -0.00805 -0.38 0.42 -0.0131 -0.79 -0.8279 -0.9455 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A10 mock treatment 0.431 -0.00705 -0.34 0.429 -0.00407 -0.25 -0.411 -0.988 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A11 mock treatment 0.43 -0.00805 -0.38 0.435 0.00193 0.12 -0.1893 -0.4722 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A12 mock treatment 0.431 -0.00705 -0.34 0.444 0.0109 0.66 0.2276 0.3081 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A13 mock treatment 0.419 -0.019 -0.91 0.437 0.00393 0.24 -0.4749 -0.5061 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A14 mock treatment 0.425 -0.013 -0.62 0.422 -0.0111 -0.67 -0.9113 -0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A15 mock treatment 0.42 -0.018 -0.86 0.427 -0.00607 -0.37 -0.8669 -0.9273 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A16 mock treatment 0.426 -0.012 -0.57 0.431 -0.00207 -0.12 -0.4944 -0.8411 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A17 mock treatment 0.418 -0.02 -0.96 0.431 -0.00207 -0.12 -0.7641 -0.7927 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A18 mock treatment 0.429 -0.00905 -0.43 0.427 -0.00607 -0.37 -0.5636 -0.9966 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A19 mock treatment 0.427 -0.011 -0.53 0.421 -0.0121 -0.73 -0.8864 -0.9875 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A20 mock treatment 0.417 -0.021 -1.0 0.428 -0.00507 -0.31 -0.9255 -0.8824 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A21 mock treatment 0.422 -0.016 -0.77 0.419 -0.0141 -0.85 -1.1401 -0.9987 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A22 mock treatment 0.421 -0.017 -0.81 0.419 -0.0141 -0.85 -1.1738 -0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A23 mock treatment 0.42 -0.018 -0.86 0.424 -0.00907 -0.55 -0.9947 -0.976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base A24 mock treatment 0.42 -0.018 -0.86 0.429 -0.00407 -0.25 -0.7818 -0.8738 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B01 mock treatment 0.44 0.00195 0.09 0.438 0.00493 0.3 0.2755 0.8862 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B02 mock treatment 0.439 9.51E-4 0.05 0.44 0.00693 0.42 0.327 0.7794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B03 mock treatment 0.439 9.51E-4 0.05 0.45 0.0169 1.02 0.7527 0.7378 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B04 mock treatment 0.439 9.51E-4 0.05 0.446 0.0129 0.78 0.5824 0.747 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B05 mock treatment 0.444 0.00595 0.28 0.449 0.0159 0.96 0.8787 0.8786 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B06 mock treatment 0.436 -0.00205 -0.1 0.445 0.0119 0.72 0.4387 0.6053 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B07 mock treatment 0.446 0.00795 0.38 0.442 0.00893 0.54 0.6481 0.9854 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B08 mock treatment 0.445 0.00695 0.33 0.444 0.0109 0.66 0.6995 0.9496 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B09 mock treatment 0.441 0.00295 0.14 0.445 0.0119 0.72 0.6073 0.8298 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B10 mock treatment 0.443 0.00495 0.24 0.441 0.00793 0.48 0.5044 0.9473 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B11 mock treatment 0.444 0.00595 0.28 0.444 0.0109 0.66 0.6658 0.9293 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B12 mock treatment 0.435 -0.00305 -0.15 0.437 0.00393 0.24 0.0644 0.2321 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B13 mock treatment 0.441 0.00295 0.14 0.451 0.0179 1.08 0.8627 0.7926 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B14 mock treatment 0.436 -0.00205 -0.1 0.434 9.27E-4 0.06 -0.0296 -0.2631 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B15 mock treatment 0.437 -0.00105 -0.05 0.441 0.00793 0.48 0.3021 0.6296 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B16 mock treatment 0.444 0.00595 0.28 0.446 0.0129 0.78 0.751 0.9065 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B17 mock treatment 0.444 0.00595 0.28 0.451 0.0179 1.08 0.9638 0.8636 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B18 mock treatment 0.438 -4.92E-5 0.0 0.436 0.00293 0.18 0.123 0.6976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B19 mock treatment 0.438 -4.92E-5 0.0 0.445 0.0119 0.72 0.5061 0.7048 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B20 mock treatment 0.44 0.00195 0.09 0.436 0.00293 0.18 0.1904 0.9554 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B21 mock treatment 0.445 0.00695 0.33 0.443 0.00993 0.6 0.6569 0.9613 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B22 mock treatment 0.43 -0.00805 -0.38 0.433 -7.29E-5 0.0 -0.2744 -0.7152 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B23 mock treatment 0.433 -0.00505 -0.24 0.45 0.0169 1.02 0.5505 0.5257 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base B24 mock treatment 0.458 0.02 0.95 0.433 -7.29E-5 0.0 0.6694 0.7038 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C01 mock treatment 0.415 -0.023 -1.1 0.411 -0.0221 -1.33 -1.7167 -0.9955 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C02 mock treatment 0.414 -0.024 -1.15 0.426 -0.00707 -0.43 -1.1118 -0.9091 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C03 mock treatment 0.417 -0.021 -1.0 0.416 -0.0171 -1.03 -1.4364 -0.9999 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C04 mock treatment 0.421 -0.017 -0.81 0.421 -0.0121 -0.73 -1.0887 -0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C05 mock treatment 0.469 0.031 1.48 0.425 -0.00807 -0.49 0.6996 0.4503 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C06 mock treatment 0.461 0.023 1.09 0.417 -0.0161 -0.97 0.0893 0.0611 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C07 mock treatment 0.482 0.044 2.1 0.421 -0.0121 -0.73 0.9675 0.4363 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C08 mock treatment 0.465 0.027 1.28 0.432 -0.00107 -0.06 0.8628 0.6707 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C09 mock treatment 0.449 0.011 0.52 0.417 -0.0161 -0.97 -0.3152 -0.2866 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C10 mock treatment 0.422 -0.016 -0.77 0.422 -0.0111 -0.67 -1.0124 -0.9976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C11 mock treatment 0.417 -0.021 -1.0 0.415 -0.0181 -1.09 -1.479 -0.9992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C12 mock treatment 0.42 -0.018 -0.86 0.425 -0.00807 -0.49 -0.9521 -0.9635 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C13 mock treatment 0.421 -0.017 -0.81 0.421 -0.0121 -0.73 -1.0887 -0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C14 mock treatment 0.418 -0.02 -0.96 0.422 -0.0111 -0.67 -1.1472 -0.9845 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C15 mock treatment 0.418 -0.02 -0.96 0.412 -0.0211 -1.27 -1.573 -0.9902 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C16 mock treatment 0.429 -0.00905 -0.43 0.425 -0.00807 -0.49 -0.6487 -0.9982 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C17 mock treatment 0.435 -0.00305 -0.15 0.425 -0.00807 -0.49 -0.4465 -0.8801 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C18 mock treatment 0.433 -0.00505 -0.24 0.426 -0.00707 -0.43 -0.4713 -0.9635 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C19 mock treatment 0.446 0.00795 0.38 0.416 -0.0171 -1.03 -0.4589 -0.4188 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C20 mock treatment 0.425 -0.013 -0.62 0.42 -0.0131 -0.79 -0.9964 -0.9932 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C21 mock treatment 0.418 -0.02 -0.96 0.412 -0.0211 -1.27 -1.573 -0.9902 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C22 mock treatment 0.416 -0.022 -1.05 0.411 -0.0221 -1.33 -1.683 -0.9933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C23 mock treatment 0.406 -0.032 -1.53 0.413 -0.0201 -1.21 -1.9349 -0.9933 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base C24 mock treatment 0.415 -0.023 -1.1 0.42 -0.0131 -0.79 -1.3335 -0.9866 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D01 mock treatment 0.435 -0.00305 -0.15 0.437 0.00393 0.24 0.0644 0.2321 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D02 mock treatment 0.43 -0.00805 -0.38 0.427 -0.00607 -0.37 -0.5299 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D03 mock treatment 0.443 0.00495 0.24 0.434 9.27E-4 0.06 0.2063 0.8509 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D04 mock treatment 0.476 0.038 1.81 0.426 -0.00707 -0.43 0.9781 0.5263 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D05 mock treatment 0.481 0.043 2.05 0.429 -0.00407 -0.25 1.2744 0.618 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D06 mock treatment 0.495 0.057 2.71 0.429 -0.00407 -0.25 1.7463 0.6406 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D07 mock treatment 0.506 0.068 3.24 0.442 0.00893 0.54 2.6705 0.8133 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D08 mock treatment 0.496 0.058 2.76 0.439 0.00593 0.36 2.2057 0.7919 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D09 mock treatment 0.49 0.052 2.48 0.437 0.00393 0.24 1.9183 0.7711 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D10 mock treatment 0.481 0.043 2.05 0.429 -0.00407 -0.25 1.2744 0.618 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D11 mock treatment 0.465 0.027 1.28 0.439 0.00593 0.36 1.1608 0.8706 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D12 mock treatment 0.461 0.023 1.09 0.449 0.0159 0.96 1.4517 0.9978 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D13 mock treatment 0.45 0.012 0.57 0.442 0.00893 0.54 0.7829 0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D14 mock treatment 0.465 0.027 1.28 0.425 -0.00807 -0.49 0.5647 0.4111 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D15 mock treatment 0.455 0.017 0.81 0.425 -0.00807 -0.49 0.2277 0.2414 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D16 mock treatment 0.483 0.045 2.14 0.436 0.00293 0.18 1.6398 0.7627 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D17 mock treatment 0.492 0.054 2.57 0.44 0.00693 0.42 2.1135 0.8112 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D18 mock treatment 0.496 0.058 2.76 0.435 0.00193 0.12 2.0354 0.7362 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D19 mock treatment 0.475 0.037 1.76 0.432 -0.00107 -0.06 1.1998 0.6807 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D20 mock treatment 0.48 0.042 2.0 0.434 9.27E-4 0.06 1.4535 0.7266 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D21 mock treatment 0.439 9.51E-4 0.05 0.426 -0.00707 -0.43 -0.2691 -0.6283 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D22 mock treatment 0.424 -0.014 -0.67 0.429 -0.00407 -0.25 -0.647 -0.9071 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D23 mock treatment 0.434 -0.00405 -0.19 0.425 -0.00807 -0.49 -0.4802 -0.9182 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base D24 mock treatment 0.428 -0.01 -0.48 0.424 -0.00907 -0.55 -0.725 -0.9979 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E01 mock treatment 0.425 -0.013 -0.62 0.435 0.00193 0.12 -0.3578 -0.5655 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E02 mock treatment 0.44 0.00195 0.09 0.44 0.00693 0.42 0.3607 0.844 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E03 mock treatment 0.449 0.011 0.52 0.434 9.27E-4 0.06 0.4086 0.7783 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E04 mock treatment 0.485 0.047 2.24 0.433 -7.29E-5 0.0 1.5795 0.7057 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E05 mock treatment 0.51 0.072 3.43 0.438 0.00493 0.3 2.6351 0.7654 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E06 mock treatment 0.516 0.078 3.72 0.442 0.00893 0.54 3.0076 0.8011 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E07 mock treatment 0.506 0.068 3.24 0.45 0.0169 1.02 3.0111 0.8867 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E08 mock treatment 0.503 0.065 3.1 0.451 0.0179 1.08 2.9526 0.9005 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E09 mock treatment 0.508 0.07 3.33 0.438 0.00493 0.3 2.5676 0.767 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E10 mock treatment 0.505 0.067 3.19 0.439 0.00593 0.36 2.5091 0.7813 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E11 mock treatment 0.474 0.036 1.71 0.426 -0.00707 -0.43 0.9107 0.5157 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E12 mock treatment 0.493 0.055 2.62 0.448 0.0149 0.9 2.4878 0.8983 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E13 mock treatment 0.495 0.057 2.71 0.441 0.00793 0.48 2.2572 0.8189 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E14 mock treatment 0.473 0.035 1.67 0.435 0.00193 0.12 1.2602 0.7545 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E15 mock treatment 0.464 0.026 1.24 0.443 0.00993 0.6 1.2974 0.9443 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E16 mock treatment 0.489 0.051 2.43 0.435 0.00193 0.12 1.7995 0.74 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E17 mock treatment 0.491 0.053 2.52 0.44 0.00693 0.42 2.0798 0.8129 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E18 mock treatment 0.503 0.065 3.1 0.443 0.00993 0.6 2.612 0.8283 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E19 mock treatment 0.486 0.048 2.29 0.432 -0.00107 -0.06 1.5706 0.6868 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E20 mock treatment 0.479 0.041 1.95 0.434 9.27E-4 0.06 1.4198 0.727 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E21 mock treatment 0.436 -0.00205 -0.1 0.431 -0.00207 -0.12 -0.1573 -0.9927 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E22 mock treatment 0.438 -4.92E-5 0.0 0.438 0.00493 0.3 0.2081 0.7015 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E23 mock treatment 0.428 -0.01 -0.48 0.428 -0.00507 -0.31 -0.5547 -0.9764 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base E24 mock treatment 0.44 0.00195 0.09 0.431 -0.00207 -0.12 -0.0225 -0.1445 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F01 mock treatment 0.439 9.51E-4 0.05 0.448 0.0149 0.9 0.6676 0.7418 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F02 mock treatment 0.439 9.51E-4 0.05 0.435 0.00193 0.12 0.1141 0.9159 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F03 mock treatment 0.455 0.017 0.81 0.441 0.00793 0.48 0.9089 0.9684 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F04 mock treatment 0.494 0.056 2.67 0.436 0.00293 0.18 2.0106 0.7522 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F05 mock treatment 0.5 0.062 2.95 0.449 0.0159 0.96 2.7663 0.8909 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F06 mock treatment 0.511 0.073 3.48 0.445 0.0119 0.72 2.9668 0.8355 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F07 mock treatment 0.528 0.09 4.29 0.45 0.0169 1.02 3.7527 0.8515 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F08 mock treatment 0.516 0.078 3.72 0.455 0.0219 1.32 3.5611 0.903 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F09 mock treatment 0.513 0.075 3.57 0.437 0.00393 0.24 2.6936 0.7523 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F10 mock treatment 0.501 0.063 3.0 0.448 0.0149 0.9 2.7574 0.8803 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F11 mock treatment 0.501 0.063 3.0 0.443 0.00993 0.6 2.5446 0.8316 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F12 mock treatment 0.494 0.056 2.67 0.444 0.0109 0.66 2.3512 0.8559 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F13 mock treatment 0.494 0.056 2.67 0.453 0.0199 1.2 2.7344 0.935 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F14 mock treatment 0.488 0.05 2.38 0.441 0.00793 0.48 2.0212 0.8323 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F15 mock treatment 0.489 0.051 2.43 0.441 0.00793 0.48 2.0549 0.8302 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F16 mock treatment 0.493 0.055 2.62 0.453 0.0199 1.2 2.7007 0.9373 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F17 mock treatment 0.511 0.073 3.48 0.446 0.0129 0.78 3.0094 0.8445 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F18 mock treatment 0.495 0.057 2.71 0.441 0.00793 0.48 2.2572 0.8189 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F19 mock treatment 0.496 0.058 2.76 0.455 0.0219 1.32 2.8869 0.9429 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F20 mock treatment 0.475 0.037 1.76 0.437 0.00393 0.24 1.4127 0.7949 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F21 mock treatment 0.441 0.00295 0.14 0.44 0.00693 0.42 0.3944 0.896 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F22 mock treatment 0.437 -0.00105 -0.05 0.436 0.00293 0.18 0.0893 0.4872 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F23 mock treatment 0.443 0.00495 0.24 0.443 0.00993 0.6 0.5895 0.9174 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base F24 mock treatment 0.437 -0.00105 -0.05 0.437 0.00393 0.24 0.1318 0.5455 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G01 mock treatment 0.423 -0.015 -0.72 0.428 -0.00507 -0.31 -0.7233 -0.9276 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G02 mock treatment 0.437 -0.00105 -0.05 0.43 -0.00307 -0.19 -0.1662 -0.8671 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G03 mock treatment 0.432 -0.00605 -0.29 0.423 -0.0101 -0.61 -0.6328 -0.9422 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G04 mock treatment 0.484 0.046 2.19 0.437 0.00393 0.24 1.7161 0.7789 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G05 mock treatment 0.486 0.048 2.29 0.427 -0.00607 -0.37 1.3578 0.5865 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G06 mock treatment 0.501 0.063 3.0 0.436 0.00293 0.18 2.2465 0.7473 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G07 mock treatment 0.506 0.068 3.24 0.435 0.00193 0.12 2.3725 0.732 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G08 mock treatment 0.49 0.052 2.48 0.443 0.00993 0.6 2.1738 0.8533 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G09 mock treatment 0.517 0.079 3.76 0.427 -0.00607 -0.37 2.4027 0.6354 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G10 mock treatment 0.485 0.047 2.24 0.439 0.00593 0.36 1.8349 0.8096 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G11 mock treatment 0.471 0.033 1.57 0.43 -0.00307 -0.19 0.9799 0.6195 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G12 mock treatment 0.453 0.015 0.71 0.441 0.00793 0.48 0.8414 0.981 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G13 mock treatment 0.459 0.021 1.0 0.452 0.0189 1.14 1.512 0.9978 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G14 mock treatment 0.48 0.042 2.0 0.44 0.00693 0.42 1.709 0.8366 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G15 mock treatment 0.469 0.031 1.48 0.429 -0.00407 -0.25 0.8699 0.5816 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G16 mock treatment 0.443 0.00495 0.24 0.435 0.00193 0.12 0.2489 0.9465 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G17 mock treatment 0.477 0.039 1.86 0.437 0.00393 0.24 1.4801 0.7908 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G18 mock treatment 0.492 0.054 2.57 0.435 0.00193 0.12 1.9006 0.7383 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G19 mock treatment 0.467 0.029 1.38 0.431 -0.00207 -0.12 0.8876 0.6405 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G20 mock treatment 0.439 9.51E-4 0.05 0.428 -0.00507 -0.31 -0.1839 -0.5957 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G21 mock treatment 0.429 -0.00905 -0.43 0.425 -0.00807 -0.49 -0.6487 -0.9982 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G22 mock treatment 0.429 -0.00905 -0.43 0.429 -0.00407 -0.25 -0.4784 -0.9642 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G23 mock treatment 0.429 -0.00905 -0.43 0.422 -0.0111 -0.67 -0.7765 -0.9778 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base G24 mock treatment 0.429 -0.00905 -0.43 0.425 -0.00807 -0.49 -0.6487 -0.9982 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H01 mock treatment 0.436 -0.00205 -0.1 0.433 -7.29E-5 0.0 -0.0722 -0.7381 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H02 mock treatment 0.428 -0.01 -0.48 0.422 -0.0111 -0.67 -0.8102 -0.9869 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H03 mock treatment 0.433 -0.00505 -0.24 0.429 -0.00407 -0.25 -0.3436 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H04 mock treatment 0.441 0.00295 0.14 0.426 -0.00707 -0.43 -0.2017 -0.4497 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H05 mock treatment 0.474 0.036 1.71 0.43 -0.00307 -0.19 1.081 0.6271 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H06 mock treatment 0.516 0.078 3.72 0.428 -0.00507 -0.31 2.4116 0.6468 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H07 mock treatment 0.503 0.065 3.1 0.436 0.00293 0.18 2.314 0.7461 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H08 mock treatment 0.49 0.052 2.48 0.432 -0.00107 -0.06 1.7055 0.6884 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H09 mock treatment 0.491 0.053 2.52 0.434 9.27E-4 0.06 1.8243 0.7226 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H10 mock treatment 0.468 0.03 1.43 0.426 -0.00707 -0.43 0.7084 0.4755 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H11 mock treatment 0.451 0.013 0.62 0.43 -0.00307 -0.19 0.3057 0.4743 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H12 mock treatment 0.475 0.037 1.76 0.425 -0.00807 -0.49 0.9018 0.4935 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H13 mock treatment 0.468 0.03 1.43 0.44 0.00693 0.42 1.3045 0.877 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H14 mock treatment 0.486 0.048 2.29 0.426 -0.00707 -0.43 1.3152 0.5656 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H15 mock treatment 0.475 0.037 1.76 0.433 -7.29E-5 0.0 1.2424 0.7053 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H16 mock treatment 0.435 -0.00305 -0.15 0.427 -0.00607 -0.37 -0.3613 -0.9183 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H17 mock treatment 0.468 0.03 1.43 0.439 0.00593 0.36 1.2619 0.8575 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H18 mock treatment 0.467 0.029 1.38 0.427 -0.00607 -0.37 0.7173 0.5024 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H19 mock treatment 0.462 0.024 1.14 0.431 -0.00207 -0.12 0.7191 0.6261 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H20 mock treatment 0.426 -0.012 -0.57 0.423 -0.0101 -0.61 -0.835 -0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H21 mock treatment 0.424 -0.014 -0.67 0.425 -0.00807 -0.49 -0.8173 -0.9876 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H22 mock treatment 0.421 -0.017 -0.81 0.421 -0.0121 -0.73 -1.0887 -0.9984 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H23 mock treatment 0.434 -0.00405 -0.19 0.424 -0.00907 -0.55 -0.5228 -0.9023 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base H24 mock treatment 0.423 -0.015 -0.72 0.428 -0.00507 -0.31 -0.7233 -0.9276 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I01 mock treatment 0.434 -0.00405 -0.19 0.433 -7.29E-5 0.0 -0.1396 -0.723 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I02 mock treatment 0.445 0.00695 0.33 0.439 0.00593 0.36 0.4866 0.9993 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I03 mock treatment 0.429 -0.00905 -0.43 0.432 -0.00107 -0.06 -0.3507 -0.804 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I04 mock treatment 0.433 -0.00505 -0.24 0.429 -0.00407 -0.25 -0.3436 -1.0 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I05 mock treatment 0.482 0.044 2.1 0.433 -7.29E-5 0.0 1.4784 0.7056 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I06 mock treatment 0.489 0.051 2.43 0.431 -0.00207 -0.12 1.6292 0.6699 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I07 mock treatment 0.504 0.066 3.14 0.429 -0.00407 -0.25 2.0496 0.65 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I08 mock treatment 0.482 0.044 2.1 0.444 0.0109 0.66 1.9467 0.8865 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I09 mock treatment 0.455 0.017 0.81 0.442 0.00893 0.54 0.9514 0.9804 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I10 mock treatment 0.447 0.00895 0.43 0.437 0.00393 0.24 0.4689 0.9612 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I11 mock treatment 0.452 0.014 0.67 0.434 9.27E-4 0.06 0.5097 0.7638 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I12 mock treatment 0.46 0.022 1.05 0.444 0.0109 0.66 1.2051 0.975 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I13 mock treatment 0.451 0.013 0.62 0.441 0.00793 0.48 0.774 0.9919 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I14 mock treatment 0.437 -0.00105 -0.05 0.433 -7.29E-5 0.0 -0.0385 -0.7662 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I15 mock treatment 0.475 0.037 1.76 0.439 0.00593 0.36 1.4979 0.8334 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I16 mock treatment 0.472 0.034 1.62 0.427 -0.00607 -0.37 0.8858 0.5339 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I17 mock treatment 0.483 0.045 2.14 0.447 0.0139 0.84 2.1081 0.9162 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I18 mock treatment 0.46 0.022 1.05 0.44 0.00693 0.42 1.0348 0.9187 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I19 mock treatment 0.435 -0.00305 -0.15 0.43 -0.00307 -0.19 -0.2336 -0.9929 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I20 mock treatment 0.434 -0.00405 -0.19 0.449 0.0159 0.96 0.5416 0.5537 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I21 mock treatment 0.432 -0.00605 -0.29 0.44 0.00693 0.42 0.091 0.1795 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I22 mock treatment 0.436 -0.00205 -0.1 0.429 -0.00407 -0.25 -0.2425 -0.9186 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I23 mock treatment 0.435 -0.00305 -0.15 0.427 -0.00607 -0.37 -0.3613 -0.9183 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base I24 mock treatment 0.426 -0.012 -0.57 0.444 0.0109 0.66 0.0591 0.0676 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J01 mock treatment 0.425 -0.013 -0.62 0.428 -0.00507 -0.31 -0.6558 -0.9464 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J02 mock treatment 0.429 -0.00905 -0.43 0.417 -0.0161 -0.97 -0.9893 -0.9337 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J03 mock treatment 0.42 -0.018 -0.86 0.433 -7.29E-5 0.0 -0.6115 -0.7107 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J04 mock treatment 0.426 -0.012 -0.57 0.427 -0.00607 -0.37 -0.6647 -0.9762 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J05 mock treatment 0.439 9.51E-4 0.05 0.44 0.00693 0.42 0.327 0.7794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J06 mock treatment 0.483 0.045 2.14 0.424 -0.00907 -0.55 1.1289 0.5105 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J07 mock treatment 0.494 0.056 2.67 0.427 -0.00607 -0.37 1.6274 0.6045 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J08 mock treatment 0.473 0.035 1.67 0.428 -0.00507 -0.31 0.9621 0.568 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J09 mock treatment 0.46 0.022 1.05 0.427 -0.00607 -0.37 0.4814 0.4343 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J10 mock treatment 0.463 0.025 1.19 0.423 -0.0101 -0.61 0.4122 0.3087 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J11 mock treatment 0.437 -0.00105 -0.05 0.426 -0.00707 -0.43 -0.3365 -0.7848 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J12 mock treatment 0.454 0.016 0.76 0.425 -0.00807 -0.49 0.194 0.2149 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J13 mock treatment 0.429 -0.00905 -0.43 0.419 -0.0141 -0.85 -0.9042 -0.951 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J14 mock treatment 0.429 -0.00905 -0.43 0.416 -0.0171 -1.03 -1.0319 -0.9256 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J15 mock treatment 0.425 -0.013 -0.62 0.422 -0.0111 -0.67 -0.9113 -0.9994 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J16 mock treatment 0.462 0.024 1.14 0.418 -0.0151 -0.91 0.1656 0.1135 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J17 mock treatment 0.457 0.019 0.9 0.436 0.00293 0.18 0.7634 0.8294 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J18 mock treatment 0.443 0.00495 0.24 0.422 -0.0111 -0.67 -0.3045 -0.4306 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J19 mock treatment 0.43 -0.00805 -0.38 0.432 -0.00107 -0.06 -0.317 -0.8147 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J20 mock treatment 0.43 -0.00805 -0.38 0.427 -0.00607 -0.37 -0.5299 -0.9997 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J21 mock treatment 0.43 -0.00805 -0.38 0.426 -0.00707 -0.43 -0.5724 -0.9986 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J22 mock treatment 0.419 -0.019 -0.91 0.421 -0.0121 -0.73 -1.1561 -0.9939 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J23 mock treatment 0.429 -0.00905 -0.43 0.42 -0.0131 -0.79 -0.8616 -0.9599 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base J24 mock treatment 0.42 -0.018 -0.86 0.434 9.27E-4 0.06 -0.5689 -0.6598 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K01 mock treatment 0.427 -0.011 -0.53 0.427 -0.00607 -0.37 -0.631 -0.9841 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K02 mock treatment 0.434 -0.00405 -0.19 0.437 0.00393 0.24 0.0307 0.1006 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K03 mock treatment 0.434 -0.00405 -0.19 0.427 -0.00607 -0.37 -0.395 -0.9554 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K04 mock treatment 0.443 0.00495 0.24 0.432 -0.00107 -0.06 0.1212 0.4953 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K05 mock treatment 0.435 -0.00305 -0.15 0.431 -0.00207 -0.12 -0.191 -0.9971 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K06 mock treatment 0.469 0.031 1.48 0.44 0.00693 0.42 1.3382 0.8728 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K07 mock treatment 0.447 0.00895 0.43 0.417 -0.0161 -0.97 -0.3826 -0.3617 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K08 mock treatment 0.465 0.027 1.28 0.435 0.00193 0.12 0.9905 0.7678 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K09 mock treatment 0.467 0.029 1.38 0.428 -0.00507 -0.31 0.7599 0.5376 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K10 mock treatment 0.451 0.013 0.62 0.439 0.00593 0.36 0.6889 0.9661 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K11 mock treatment 0.456 0.018 0.86 0.432 -0.00107 -0.06 0.5594 0.6519 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K12 mock treatment 0.446 0.00795 0.38 0.435 0.00193 0.12 0.35 0.8831 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K13 mock treatment 0.432 -0.00605 -0.29 0.415 -0.0181 -1.09 -0.9734 -0.8646 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K14 mock treatment 0.442 0.00395 0.19 0.437 0.00393 0.24 0.3004 0.9936 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K15 mock treatment 0.429 -0.00905 -0.43 0.428 -0.00507 -0.31 -0.521 -0.9857 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K16 mock treatment 0.44 0.00195 0.09 0.437 0.00393 0.24 0.233 0.9168 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K17 mock treatment 0.432 -0.00605 -0.29 0.438 0.00493 0.3 0.0059 0.0142 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K18 mock treatment 0.436 -0.00205 -0.1 0.433 -7.29E-5 0.0 -0.0722 -0.7381 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K19 mock treatment 0.418 -0.02 -0.96 0.43 -0.00307 -0.19 -0.8066 -0.8286 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K20 mock treatment 0.433 -0.00505 -0.24 0.438 0.00493 0.3 0.0396 0.1036 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K21 mock treatment 0.421 -0.017 -0.81 0.424 -0.00907 -0.55 -0.961 -0.9813 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K22 mock treatment 0.437 -0.00105 -0.05 0.435 0.00193 0.12 0.0467 0.3694 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K23 mock treatment 0.423 -0.015 -0.72 0.424 -0.00907 -0.55 -0.8936 -0.991 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base K24 mock treatment 0.437 -0.00105 -0.05 0.44 0.00693 0.42 0.2596 0.6179 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L01 mock treatment 0.436 -0.00205 -0.1 0.438 0.00493 0.3 0.1407 0.4505 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L02 mock treatment 0.43 -0.00805 -0.38 0.428 -0.00507 -0.31 -0.4873 -0.9936 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L03 mock treatment 0.434 -0.00405 -0.19 0.429 -0.00407 -0.25 -0.3099 -0.993 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L04 mock treatment 0.428 -0.01 -0.48 0.431 -0.00207 -0.12 -0.427 -0.8625 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L05 mock treatment 0.438 -4.92E-5 0.0 0.427 -0.00607 -0.37 -0.2602 -0.7116 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L06 mock treatment 0.434 -0.00405 -0.19 0.425 -0.00807 -0.49 -0.4802 -0.9182 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L07 mock treatment 0.439 9.51E-4 0.05 0.428 -0.00507 -0.31 -0.1839 -0.5957 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L08 mock treatment 0.425 -0.013 -0.62 0.431 -0.00207 -0.12 -0.5281 -0.8324 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L09 mock treatment 0.437 -0.00105 -0.05 0.432 -0.00107 -0.06 -0.081 -0.992 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L10 mock treatment 0.432 -0.00605 -0.29 0.423 -0.0101 -0.61 -0.6328 -0.9422 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L11 mock treatment 0.444 0.00595 0.28 0.431 -0.00207 -0.12 0.1123 0.3625 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L12 mock treatment 0.431 -0.00705 -0.34 0.434 9.27E-4 0.06 -0.1981 -0.5817 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L13 mock treatment 0.438 -4.92E-5 0.0 0.433 -7.29E-5 0.0 -0.0048 -0.9569 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L14 mock treatment 0.427 -0.011 -0.53 0.424 -0.00907 -0.55 -0.7587 -0.9998 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L15 mock treatment 0.431 -0.00705 -0.34 0.433 -7.29E-5 0.0 -0.2407 -0.7163 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L16 mock treatment 0.435 -0.00305 -0.15 0.426 -0.00707 -0.43 -0.4039 -0.8976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L17 mock treatment 0.437 -0.00105 -0.05 0.437 0.00393 0.24 0.1318 0.5455 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L18 mock treatment 0.424 -0.014 -0.67 0.43 -0.00307 -0.19 -0.6044 -0.8699 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L19 mock treatment 0.432 -0.00605 -0.29 0.429 -0.00407 -0.25 -0.3773 -0.9967 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L20 mock treatment 0.429 -0.00905 -0.43 0.429 -0.00407 -0.25 -0.4784 -0.9642 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L21 mock treatment 0.43 -0.00805 -0.38 0.421 -0.0121 -0.73 -0.7853 -0.9554 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L22 mock treatment 0.42 -0.018 -0.86 0.426 -0.00707 -0.43 -0.9095 -0.9474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L23 mock treatment 0.431 -0.00705 -0.34 0.432 -0.00107 -0.06 -0.2833 -0.8279 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base L24 mock treatment 0.426 -0.012 -0.57 0.434 9.27E-4 0.06 -0.3667 -0.6354 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M01 mock treatment 0.426 -0.012 -0.57 0.428 -0.00507 -0.31 -0.6221 -0.9563 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M02 mock treatment 0.437 -0.00105 -0.05 0.442 0.00893 0.54 0.3447 0.6385 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M03 mock treatment 0.464 0.026 1.24 0.43 -0.00307 -0.19 0.7439 0.5947 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M04 mock treatment 0.441 0.00295 0.14 0.436 0.00293 0.18 0.2241 0.9938 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M05 mock treatment 0.438 -4.92E-5 0.0 0.432 -0.00107 -0.06 -0.0473 -0.7323 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M06 mock treatment 0.447 0.00895 0.43 0.438 0.00493 0.3 0.5115 0.9842 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M07 mock treatment 0.433 -0.00505 -0.24 0.435 0.00193 0.12 -0.0882 -0.3299 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M08 mock treatment 0.438 -4.92E-5 0.0 0.443 0.00993 0.6 0.421 0.7043 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M09 mock treatment 0.436 -0.00205 -0.1 0.431 -0.00207 -0.12 -0.1573 -0.9927 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M10 mock treatment 0.438 -4.92E-5 0.0 0.438 0.00493 0.3 0.2081 0.7015 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M11 mock treatment 0.431 -0.00705 -0.34 0.433 -7.29E-5 0.0 -0.2407 -0.7163 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M12 mock treatment 0.438 -4.92E-5 0.0 0.44 0.00693 0.42 0.2933 0.7031 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M13 mock treatment 0.436 -0.00205 -0.1 0.424 -0.00907 -0.55 -0.4554 -0.8205 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M14 mock treatment 0.438 -4.92E-5 0.0 0.442 0.00893 0.54 0.3784 0.704 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M15 mock treatment 0.431 -0.00705 -0.34 0.43 -0.00307 -0.19 -0.3684 -0.9605 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M16 mock treatment 0.434 -0.00405 -0.19 0.441 0.00793 0.48 0.201 0.3904 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M17 mock treatment 0.439 9.51E-4 0.05 0.437 0.00393 0.24 0.1992 0.8276 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M18 mock treatment 0.441 0.00295 0.14 0.444 0.0109 0.66 0.5647 0.8393 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M19 mock treatment 0.432 -0.00605 -0.29 0.434 9.27E-4 0.06 -0.1644 -0.5598 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M20 mock treatment 0.436 -0.00205 -0.1 0.436 0.00293 0.18 0.0555 0.2757 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M21 mock treatment 0.426 -0.012 -0.57 0.439 0.00593 0.36 -0.1538 -0.2275 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M22 mock treatment 0.448 0.00995 0.47 0.439 0.00593 0.36 0.5878 0.9902 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M23 mock treatment 0.441 0.00295 0.14 0.434 9.27E-4 0.06 0.1389 0.9181 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base M24 mock treatment 0.435 -0.00305 -0.15 0.443 0.00993 0.6 0.3199 0.52 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N01 mock treatment 0.441 0.00295 0.14 0.43 -0.00307 -0.19 -0.0314 -0.135 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N02 mock treatment 0.427 -0.011 -0.53 0.427 -0.00607 -0.37 -0.631 -0.9841 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N03 mock treatment 0.437 -0.00105 -0.05 0.45 0.0169 1.02 0.6853 0.6716 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N04 mock treatment 0.423 -0.015 -0.72 0.427 -0.00607 -0.37 -0.7658 -0.9511 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N05 mock treatment 0.441 0.00295 0.14 0.439 0.00593 0.36 0.3518 0.9171 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N06 mock treatment 0.437 -0.00105 -0.05 0.425 -0.00807 -0.49 -0.3791 -0.7758 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N07 mock treatment 0.448 0.00995 0.47 0.434 9.27E-4 0.06 0.3749 0.7849 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N08 mock treatment 0.433 -0.00505 -0.24 0.423 -0.0101 -0.61 -0.599 -0.9181 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N09 mock treatment 0.441 0.00295 0.14 0.432 -0.00107 -0.06 0.0538 0.3475 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N10 mock treatment 0.431 -0.00705 -0.34 0.431 -0.00207 -0.12 -0.3259 -0.9091 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N11 mock treatment 0.428 -0.01 -0.48 0.439 0.00593 0.36 -0.0864 -0.1446 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N12 mock treatment 0.429 -0.00905 -0.43 0.447 0.0139 0.84 0.2879 0.3053 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N13 mock treatment 0.447 0.00895 0.43 0.439 0.00593 0.36 0.5541 0.9961 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N14 mock treatment 0.432 -0.00605 -0.29 0.428 -0.00507 -0.31 -0.4199 -0.9996 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N15 mock treatment 0.438 -4.92E-5 0.0 0.441 0.00793 0.48 0.3358 0.7036 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N16 mock treatment 0.437 -0.00105 -0.05 0.433 -7.29E-5 0.0 -0.0385 -0.7662 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N17 mock treatment 0.437 -0.00105 -0.05 0.437 0.00393 0.24 0.1318 0.5455 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N18 mock treatment 0.442 0.00395 0.19 0.435 0.00193 0.12 0.2152 0.9729 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N19 mock treatment 0.443 0.00495 0.24 0.43 -0.00307 -0.19 0.0361 0.1202 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N20 mock treatment 0.432 -0.00605 -0.29 0.434 9.27E-4 0.06 -0.1644 -0.5598 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N21 mock treatment 0.434 -0.00405 -0.19 0.436 0.00293 0.18 -0.0119 -0.0454 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N22 mock treatment 0.434 -0.00405 -0.19 0.424 -0.00907 -0.55 -0.5228 -0.9023 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N23 mock treatment 0.431 -0.00705 -0.34 0.431 -0.00207 -0.12 -0.3259 -0.9091 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base N24 mock treatment 0.427 -0.011 -0.53 0.453 0.0199 1.2 0.4759 0.3632 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O01 mock treatment 0.43 -0.00805 -0.38 0.436 0.00293 0.18 -0.1467 -0.3474 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O02 mock treatment 0.433 -0.00505 -0.24 0.44 0.00693 0.42 0.1247 0.259 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O03 mock treatment 0.43 -0.00805 -0.38 0.432 -0.00107 -0.06 -0.317 -0.8147 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O04 mock treatment 0.441 0.00295 0.14 0.439 0.00593 0.36 0.3518 0.9171 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O05 mock treatment 0.436 -0.00205 -0.1 0.433 -7.29E-5 0.0 -0.0722 -0.7381 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O06 mock treatment 0.44 0.00195 0.09 0.441 0.00793 0.48 0.4032 0.8293 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O07 mock treatment 0.431 -0.00705 -0.34 0.423 -0.0101 -0.61 -0.6665 -0.9612 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O08 mock treatment 0.441 0.00295 0.14 0.432 -0.00107 -0.06 0.0538 0.3475 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O09 mock treatment 0.432 -0.00605 -0.29 0.429 -0.00407 -0.25 -0.3773 -0.9967 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O10 mock treatment 0.431 -0.00705 -0.34 0.421 -0.0121 -0.73 -0.7516 -0.9386 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O11 mock treatment 0.427 -0.011 -0.53 0.427 -0.00607 -0.37 -0.631 -0.9841 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O12 mock treatment 0.437 -0.00105 -0.05 0.438 0.00493 0.3 0.1744 0.5797 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O13 mock treatment 0.445 0.00695 0.33 0.424 -0.00907 -0.55 -0.152 -0.2379 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O14 mock treatment 0.442 0.00395 0.19 0.441 0.00793 0.48 0.4707 0.9173 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O15 mock treatment 0.431 -0.00705 -0.34 0.432 -0.00107 -0.06 -0.2833 -0.8279 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O16 mock treatment 0.443 0.00495 0.24 0.434 9.27E-4 0.06 0.2063 0.8509 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O17 mock treatment 0.433 -0.00505 -0.24 0.427 -0.00607 -0.37 -0.4288 -0.9794 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O18 mock treatment 0.443 0.00495 0.24 0.442 0.00893 0.54 0.5469 0.9317 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O19 mock treatment 0.425 -0.013 -0.62 0.431 -0.00207 -0.12 -0.5281 -0.8324 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O20 mock treatment 0.437 -0.00105 -0.05 0.434 9.27E-4 0.06 0.0041 0.0547 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O21 mock treatment 0.428 -0.01 -0.48 0.433 -7.29E-5 0.0 -0.3418 -0.7136 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O22 mock treatment 0.438 -4.92E-5 0.0 0.435 0.00193 0.12 0.0804 0.6927 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O23 mock treatment 0.425 -0.013 -0.62 0.427 -0.00607 -0.37 -0.6984 -0.9679 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base O24 mock treatment 0.425 -0.013 -0.62 0.436 0.00293 0.18 -0.3152 -0.4876 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P01 mock treatment 0.439 9.51E-4 0.05 0.438 0.00493 0.3 0.2418 0.8058 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P02 mock treatment 0.428 -0.01 -0.48 0.438 0.00493 0.3 -0.129 -0.2289 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P03 mock treatment 0.441 0.00295 0.14 0.439 0.00593 0.36 0.3518 0.9171 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P04 mock treatment 0.43 -0.00805 -0.38 0.431 -0.00207 -0.12 -0.3596 -0.8912 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P05 mock treatment 0.443 0.00495 0.24 0.445 0.0119 0.72 0.6747 0.8925 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P06 mock treatment 0.433 -0.00505 -0.24 0.437 0.00393 0.24 -0.003 -0.0089 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P07 mock treatment 0.44 0.00195 0.09 0.432 -0.00107 -0.06 0.0201 0.1773 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P08 mock treatment 0.433 -0.00505 -0.24 0.435 0.00193 0.12 -0.0882 -0.3299 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P09 mock treatment 0.439 9.51E-4 0.05 0.447 0.0139 0.84 0.625 0.7442 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P10 mock treatment 0.435 -0.00305 -0.15 0.43 -0.00307 -0.19 -0.2336 -0.9929 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P11 mock treatment 0.426 -0.012 -0.57 0.439 0.00593 0.36 -0.1538 -0.2275 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P12 mock treatment 0.434 -0.00405 -0.19 0.431 -0.00207 -0.12 -0.2247 -0.9777 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P13 mock treatment 0.441 0.00295 0.14 0.437 0.00393 0.24 0.2667 0.9692 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P14 mock treatment 0.437 -0.00105 -0.05 0.435 0.00193 0.12 0.0467 0.3694 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P15 mock treatment 0.442 0.00395 0.19 0.44 0.00693 0.42 0.4281 0.9355 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P16 mock treatment 0.435 -0.00305 -0.15 0.435 0.00193 0.12 -0.0207 -0.1115 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P17 mock treatment 0.441 0.00295 0.14 0.448 0.0149 0.9 0.735 0.8079 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P18 mock treatment 0.432 -0.00605 -0.29 0.426 -0.00707 -0.43 -0.505 -0.982 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P19 mock treatment 0.438 -4.92E-5 0.0 0.442 0.00893 0.54 0.3784 0.704 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P20 mock treatment 0.432 -0.00605 -0.29 0.434 9.27E-4 0.06 -0.1644 -0.5598 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P21 mock treatment 0.441 0.00295 0.14 0.44 0.00693 0.42 0.3944 0.896 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P22 mock treatment 0.428 -0.01 -0.48 0.429 -0.00407 -0.25 -0.5121 -0.9516 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P23 mock treatment 0.438 -4.92E-5 0.0 0.436 0.00293 0.18 0.123 0.6976 1051.0012 OpticalDensity(1051.0012) HemeDetoxification 1051.0012.Base P24 mock treatment 0.422 -0.016 -0.77 0.438 0.00493 0.3 -0.3312 -0.4036