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 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A01 compound treatment 0.225 -0.0184 -0.91 0.234 -0.0117 -0.64 -1.0956 -0.9857 1635158 IFLab1_002113 CCOC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A02 compound treatment 0.25 0.00662 0.33 0.216 -0.0297 -1.63 -0.9205 -0.554 1610130 IFLab1_002114 Cc1nnc(NC(=O)CSc2c[nH]c3ccccc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A03 compound treatment 0.24 -0.00338 -0.17 0.24 -0.00571 -0.31 -0.3392 -0.9565 1165598 IFLab1_002115 Cc1cccc(NC(=O)c2ccc3CCCCc3c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A04 compound treatment 0.237 -0.00638 -0.31 0.228 -0.0177 -0.97 -0.9092 -0.8907 2066600 IFLab1_002116 CC(Oc1ccccc1)C(=O)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A05 compound treatment 0.229 -0.0144 -0.71 0.233 -0.0127 -0.7 -0.9947 -1.0 1573765 IFLab1_002117 O=C(Nc1ccc2sccc2c1)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A06 compound treatment 0.234 -0.00937 -0.46 0.233 -0.0127 -0.7 -0.8201 -0.9803 1249570 IFLab1_002118 Cc1cc(C)n2cc(CN3CCOCC3)nc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A07 compound treatment 0.235 -0.00838 -0.41 0.24 -0.00571 -0.31 -0.5138 -0.9906 1492235 IFLab1_002119 CCCC(=O)Nc1c2CS(=O)(=O)Cc2nn1c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A08 compound treatment 0.239 -0.00438 -0.22 0.235 -0.0107 -0.59 -0.568 -0.9078 1570935 IFLab1_002120 COCC(C)n1c(=O)c2ccccc2c3ccccc3c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A09 compound treatment 0.251 0.00762 0.38 0.246 2.9E-4 0.02 0.2775 0.7363 1733826 IFLab1_002121 CCC(C(=O)Nc1c2CSCc2nn1c3ccc(F)cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A10 compound treatment 0.251 0.00762 0.38 0.246 2.9E-4 0.02 0.2775 0.7363 2066601 IFLab1_002122 CN1CCc2c(OCC(=O)N3CCC(Cc4ccccc4)CC3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A11 compound treatment 0.24 -0.00338 -0.17 0.24 -0.00571 -0.31 -0.3392 -0.9565 2066602 IFLab1_002123 O=C(CSC1=NN2CCCC(=O)N=C2S1)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A12 compound treatment 0.262 0.0186 0.92 0.264 0.0183 1.0 1.3595 0.9991 2066603 IFLab1_002124 CCN1CCc2c(OCc3ccc(Cl)cc3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A13 compound treatment 0.239 -0.00438 -0.22 0.248 0.00229 0.13 -0.064 -0.256 1161551 IFLab1_002125 Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c4ccccc24)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A14 compound treatment 0.232 -0.0114 -0.56 0.235 -0.0107 -0.59 -0.8124 -0.9998 2066604 IFLab1_002126 CC(C)Oc1cccc2C(=O)N(Cc3ccccc3)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A15 compound treatment 0.24 -0.00338 -0.17 0.241 -0.00471 -0.26 -0.3004 -0.9776 1341623 IFLab1_002127 COc1ccc(CCNC(=O)CSc2cn(C)c3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A16 compound treatment 0.274 0.0306 1.51 0.274 0.0283 1.55 2.1662 0.9999 2066605 IFLab1_002128 O=C(COc1cccc2C(=O)N(Cc3cccnc3)CCc12)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A17 compound treatment 0.235 -0.00838 -0.41 0.235 -0.0107 -0.59 -0.7077 -0.9853 1575537 IFLab1_002129 CCn1cc(SCC(=O)NCc2ccco2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A18 compound treatment 0.233 -0.0104 -0.51 0.232 -0.0137 -0.75 -0.8938 -0.9825 1429546 IFLab1_002130 Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A19 compound treatment 0.253 0.00962 0.48 0.252 0.00629 0.34 0.58 0.9876 2066606 IFLab1_002131 Fc1ccc(CSc2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A20 compound treatment 0.221 -0.0224 -1.1 0.225 -0.0207 -1.14 -1.5842 -0.9999 1168181 IFLab1_002132 Fc1ccc(cc1)C2N(CC(=O)Nc3ccc(F)cc23)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A21 compound treatment 0.233 -0.0104 -0.51 0.221 -0.0247 -1.35 -1.3203 -0.9115 1383288 IFLab1_002133 O=C(CSc1c[nH]c2ccccc12)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A22 compound treatment 0.237 -0.00638 -0.31 0.235 -0.0107 -0.59 -0.6378 -0.9573 1698240 IFLab1_002134 CCCCC1CCC(CC1)C(=O)Nc2c3CS(=O)Cc3nn2c4ccccc4C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A23 mock treatment 0.231 -0.0124 -0.61 0.232 -0.0137 -0.75 -0.9636 -0.9947 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 A24 mock treatment 0.223 -0.0204 -1.01 0.204 -0.0417 -2.29 -2.3286 -0.932 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B01 compound treatment 0.235 -0.00838 -0.41 0.244 -0.00171 -0.09 -0.3587 -0.8459 1132477 IFLab1_002135 Cc1cccc(c1C)n2nc3CS(=O)Cc3c2NC(=O)COc4ccc(Cl)cc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B02 compound treatment 0.246 0.00262 0.13 0.248 0.00229 0.13 0.1805 0.9999 2066607 IFLab1_002136 CCCSc1nc2CCSc2c(=O)n1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B03 compound treatment 0.255 0.0116 0.57 0.257 0.0113 0.62 0.8437 0.9993 2066608 IFLab1_002137 CC(C)Sc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B04 compound treatment 0.248 0.00462 0.23 0.249 0.00329 0.18 0.2891 0.9932 1599701 IFLab1_002138 CC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B05 compound treatment 0.268 0.0246 1.22 0.271 0.0253 1.39 1.8404 0.9979 2066609 IFLab1_002139 CC(=O)Oc1c(Sc2ccccc2)c(C)nn1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B06 compound treatment 0.25 0.00662 0.33 0.251 0.00529 0.29 0.4364 0.9982 2066610 IFLab1_002140 CCOc1ccccc1C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B07 compound treatment 0.251 0.00762 0.38 0.253 0.00729 0.4 0.5489 0.9996 1337346 IFLab1_002141 NC(=O)CSc1c([nH]c2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B08 compound treatment 0.254 0.0106 0.52 0.258 0.0123 0.67 0.8475 0.9923 2066611 IFLab1_002142 O=C(NCCSc1c[nH]c2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B09 compound treatment 0.245 0.00162 0.08 0.252 0.00629 0.34 0.3006 0.8489 1501564 IFLab1_002143 CC1CC(CC(C)(C)C1)Nc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B10 compound treatment 0.253 0.00962 0.48 0.253 0.00729 0.4 0.6187 0.9963 2066612 IFLab1_002144 Cc1[nH]c2ccccc2c1SCCNC(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B11 compound treatment 0.25 0.00662 0.33 0.246 2.9E-4 0.02 0.2426 0.7406 1666807 IFLab1_002145 CC(C)CNc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B12 compound treatment 0.258 0.0146 0.72 0.253 0.00729 0.4 0.7933 0.9611 2066613 IFLab1_002146 CCC(=O)NCCSc1c([nH]c2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B13 compound treatment 0.242 -0.00138 -0.07 0.252 0.00629 0.34 0.1959 0.5572 1204379 IFLab1_002147 CCN(C1CCCCC1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B14 compound treatment 0.251 0.00762 0.38 0.252 0.00629 0.34 0.5101 0.999 2066614 IFLab1_002148 Cn1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B15 compound treatment 0.253 0.00962 0.48 0.252 0.00629 0.34 0.58 0.9876 1740866 IFLab1_002149 CCOC(=O)C(CC)Sc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B16 compound treatment 0.259 0.0156 0.77 0.261 0.0153 0.84 1.1384 0.9991 2066615 IFLab1_002150 CCCn1c(CNC(=O)c2cccc(C)c2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B17 compound treatment 0.263 0.0196 0.97 0.263 0.0173 0.95 1.3556 0.9999 2066616 IFLab1_002151 CN(CCNc1ncnc2[nH]cnc12)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B18 compound treatment 0.251 0.00762 0.38 0.251 0.00529 0.29 0.4714 0.9917 2066617 IFLab1_002152 CCCCn1c(CNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B19 compound treatment 0.252 0.00862 0.43 0.251 0.00529 0.29 0.5063 0.9825 2066618 IFLab1_002153 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B20 compound treatment 0.248 0.00462 0.23 0.249 0.00329 0.18 0.2891 0.9932 2066619 IFLab1_002154 CC(C)(C)C(=O)NCc1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B21 compound treatment 0.254 0.0106 0.52 0.252 0.00629 0.34 0.6149 0.9793 2066620 IFLab1_002155 COC(=O)C(C)Sc1nc2CCSc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B22 compound treatment 0.245 0.00162 0.08 0.247 0.00129 0.07 0.1068 0.998 2066621 IFLab1_002156 Cc1cccc(c1)C(=O)NCc2nc3ccccc3n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B23 mock treatment 0.245 0.00162 0.08 0.247 0.00129 0.07 0.1068 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 B24 mock treatment 0.233 -0.0104 -0.51 0.23 -0.0157 -0.86 -0.9713 -0.9692 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C01 compound treatment 0.227 -0.0164 -0.81 0.223 -0.0227 -1.25 -1.4522 -0.9781 1633953 IFLab1_002157 Fc1cccc(NC(=O)C2COc3ccccc3O2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C02 compound treatment 0.231 -0.0124 -0.61 0.235 -0.0107 -0.59 -0.8473 -0.9998 1252358 IFLab1_002158 Cc1cc(NC(=O)CSc2c[nH]c3ccccc23)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C03 compound treatment 0.238 -0.00538 -0.27 0.234 -0.0117 -0.64 -0.6417 -0.9236 1433727 IFLab1_002159 Cc1cccc(NC(=O)C2COc3ccccc3O2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C04 compound treatment 0.242 -0.00138 -0.07 0.245 -7.1E-4 -0.04 -0.0755 -0.9651 1504829 IFLab1_002160 Fc1ccc(cc1)C(=O)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C05 compound treatment 0.24 -0.00338 -0.17 0.248 0.00229 0.13 -0.0291 -0.1392 1633628 IFLab1_002161 COc1ccc2n(C)c(=NC(=O)C3COc4ccccc4O3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C06 compound treatment 0.236 -0.00738 -0.36 0.239 -0.00671 -0.37 -0.5177 -1.0 1737527 IFLab1_002162 Cc1cc(C)n2c(Br)c(CN3CCC4(CC3)OCCO4)nc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C07 compound treatment 0.24 -0.00338 -0.17 0.24 -0.00571 -0.31 -0.3392 -0.9565 2066622 IFLab1_002163 CC(=O)Nc1c2CS(=O)(=O)Cc2nn1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C08 compound treatment 0.256 0.0126 0.62 0.255 0.00929 0.51 0.801 0.995 1629891 IFLab1_002164 O=c1n(Cc2ccco2)c(=O)c3ccccc3c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C09 compound treatment 0.271 0.0276 1.36 0.274 0.0283 1.55 2.0614 0.9979 1614228 IFLab1_002165 Fc1ccc(cc1)n2nc3CSCc3c2NC(=O)COc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C10 compound treatment 0.238 -0.00538 -0.27 0.239 -0.00671 -0.37 -0.4478 -0.9872 2066623 IFLab1_002166 CN1CCc2c(OCC(=O)NC3CCCCC3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C11 compound treatment 0.233 -0.0104 -0.51 0.236 -0.00971 -0.53 -0.7387 -0.9998 2066624 IFLab1_002167 O=C(CSC1=NN2CCCC(=O)N=C2S1)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C12 compound treatment 0.249 0.00562 0.28 0.252 0.00629 0.34 0.4403 0.9942 2066625 IFLab1_002168 CCN1CCc2c(OCC(=O)N3CCC(Cc4ccccc4)CC3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C13 compound treatment 0.239 -0.00438 -0.22 0.244 -0.00171 -0.09 -0.2191 -0.9301 1512964 IFLab1_002169 Cn1cc(SCC(=O)N2CCCC2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C14 compound treatment 0.239 -0.00438 -0.22 0.238 -0.00771 -0.42 -0.4517 -0.9514 2066626 IFLab1_002170 CCOC(=O)COc1cccc2C(=O)N(Cc3ccccc3)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C15 compound treatment 0.235 -0.00838 -0.41 0.237 -0.00871 -0.48 -0.6301 -0.9974 1604129 IFLab1_002171 Cn1cc(SCC(=O)NCc2ccco2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C16 compound treatment 0.259 0.0156 0.77 0.257 0.0113 0.62 0.9833 0.994 1668735 IFLab1_002172 O=C(CSCC(=O)N1CCCC1)Nc2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C17 compound treatment 0.27 0.0266 1.31 0.248 0.00229 0.13 1.0185 0.7711 1597456 IFLab1_002173 CCn1cc(SCC(=O)Nc2nccs2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C18 compound treatment 0.246 0.00262 0.13 0.246 2.9E-4 0.02 0.1029 0.788 1399135 IFLab1_002174 CCCC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C19 compound treatment 0.254 0.0106 0.52 0.254 0.00829 0.45 0.6924 0.9974 2066627 IFLab1_002175 Fc1cccc(CSc2c[nH]c3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C20 compound treatment 0.24 -0.00338 -0.17 0.238 -0.00771 -0.42 -0.4168 -0.9172 1343528 IFLab1_002176 CC(C)(C)n1nc2CS(=O)Cc2c1NC(=O)CC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C21 compound treatment 0.236 -0.00738 -0.36 0.234 -0.0117 -0.64 -0.7115 -0.9639 1368429 IFLab1_002177 Cc1cccc(NC(=O)CSc2c[nH]c3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C22 compound treatment 0.237 -0.00638 -0.31 0.237 -0.00871 -0.48 -0.5603 -0.9796 1125236 IFLab1_002178 O=C(Cc1ccccc1)Nc2c3CS(=O)Cc3nn2c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C23 mock treatment 0.236 -0.00738 -0.36 0.236 -0.00971 -0.53 -0.634 -0.9829 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 C24 mock treatment 0.233 -0.0104 -0.51 0.222 -0.0237 -1.3 -1.2815 -0.9171 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D01 compound treatment 0.244 6.25E-4 0.03 0.242 -0.00371 -0.2 -0.122 -0.593 2066628 IFLab1_002179 CCn1c(=NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc3cc(Cl)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D02 compound treatment 0.248 0.00462 0.23 0.247 0.00129 0.07 0.2115 0.8847 2066629 IFLab1_002180 CC(C)Sc1nc2CCSc2c(=O)n1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D03 compound treatment 0.259 0.0156 0.77 0.254 0.00829 0.45 0.867 0.9682 2066630 IFLab1_002181 CCC(C)Sc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D04 compound treatment 0.255 0.0116 0.57 0.247 0.00129 0.07 0.4559 0.7883 1160659 IFLab1_002182 CCOC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D05 compound treatment 0.27 0.0266 1.31 0.267 0.0213 1.17 1.7551 0.9982 1575575 IFLab1_002183 COCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D06 compound treatment 0.249 0.00562 0.28 0.255 0.00929 0.51 0.5566 0.9593 2066631 IFLab1_002184 O=C(NCCSc1c[nH]c2ccccc12)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D07 compound treatment 0.261 0.0176 0.87 0.264 0.0183 1.0 1.3246 0.9975 1439475 IFLab1_002185 CC1=C(C(c2ccccc2)n3nc(SCc4ccccc4)nc3N1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D08 compound treatment 0.253 0.00962 0.48 0.251 0.00529 0.29 0.5412 0.9719 1986922 IFLab1_002186 CC(C)C(=O)NCCSc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D09 compound treatment 0.251 0.00762 0.38 0.248 0.00229 0.13 0.355 0.8945 1088782 IFLab1_002187 C(Cc1ccccc1)Nc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D10 compound treatment 0.273 0.0296 1.46 0.266 0.0203 1.11 1.8211 0.9909 2066632 IFLab1_002188 Cc1[nH]c2ccccc2c1SCCNC(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D11 compound treatment 0.25 0.00662 0.33 0.253 0.00729 0.4 0.514 0.9951 1222884 IFLab1_002189 CC(O)CNc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D12 compound treatment 0.255 0.0116 0.57 0.251 0.00529 0.29 0.611 0.95 2066633 IFLab1_002190 COc1ccc(cc1)c2[nH]c3ccccc3c2SCCNC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D13 compound treatment 0.247 0.00362 0.18 0.249 0.00329 0.18 0.2541 1.0 1329314 IFLab1_002191 C1CCCN(CC1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D14 compound treatment 0.251 0.00762 0.38 0.245 -7.1E-4 -0.04 0.2387 0.6307 2066634 IFLab1_002192 Cn1c(CNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D15 compound treatment 0.252 0.00862 0.43 0.249 0.00329 0.18 0.4287 0.9269 2066635 IFLab1_002193 CCOC(=O)C(C)(C)Sc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D16 compound treatment 0.254 0.0106 0.52 0.252 0.00629 0.34 0.6149 0.9793 2066636 IFLab1_002194 CC(C)n1c(CNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D17 compound treatment 0.259 0.0156 0.77 0.258 0.0123 0.67 1.0221 0.9977 2066637 IFLab1_002195 CCN(c1cccc(C)c1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D18 compound treatment 0.256 0.0126 0.62 0.255 0.00929 0.51 0.801 0.995 2066638 IFLab1_002196 CCCCn1c(CNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D19 compound treatment 0.252 0.00862 0.43 0.246 2.9E-4 0.02 0.3124 0.733 2066639 IFLab1_002197 NC(=O)CSc1nc2CCSc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D20 compound treatment 0.244 6.25E-4 0.03 0.25 0.00429 0.24 0.1882 0.7931 2066640 IFLab1_002198 Fc1ccccc1Cn2c(CNC(=O)Cc3ccccc3)nc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D21 compound treatment 0.252 0.00862 0.43 0.245 -7.1E-4 -0.04 0.2737 0.6398 2066641 IFLab1_002199 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)OCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D22 compound treatment 0.246 0.00262 0.13 0.246 2.9E-4 0.02 0.1029 0.788 2066642 IFLab1_002200 C=CCn1c(CNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D23 mock treatment 0.245 0.00162 0.08 0.245 -7.1E-4 -0.04 0.0292 0.3277 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 D24 mock treatment 0.244 6.25E-4 0.03 0.242 -0.00371 -0.2 -0.122 -0.593 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E01 compound treatment 0.261 0.0176 0.87 0.264 0.0183 1.0 1.3246 0.9975 1527773 IFLab1_002201 O=C(Nc1nccs1)c2ccc3CCCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E02 compound treatment 0.25 0.00662 0.33 0.248 0.00229 0.13 0.3201 0.9135 2066643 IFLab1_002202 CC(C)(C)c1cnnn1c2ccc(NC(=O)COc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E03 compound treatment 0.246 0.00262 0.13 0.246 2.9E-4 0.02 0.1029 0.788 1374536 IFLab1_002203 O=C(N1CCN(CC1)c2ccccc2)c3ccc4CCCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E04 compound treatment 0.26 0.0166 0.82 0.256 0.0103 0.56 0.9795 0.9833 1643731 IFLab1_002204 COc1ccc(cc1)C(=O)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E05 compound treatment 0.28 0.0366 1.81 0.28 0.0343 1.88 2.6083 0.9998 1359418 IFLab1_002205 CCN1CCc2c(C(=O)N)c(NC(=O)c3ccc4CCCCc4c3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E06 compound treatment 0.254 0.0106 0.52 0.257 0.0113 0.62 0.8087 0.9966 1228490 IFLab1_002206 COc1ccc(cc1)N2CCN(Cc3nc4nc(C)cc(C)n4c3Br)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E07 compound treatment 0.245 0.00162 0.08 0.251 0.00529 0.29 0.2618 0.87 2066644 IFLab1_002207 Clc1ccc(cc1)n2nc3CS(=O)(=O)Cc3c2NC(=O)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E08 compound treatment 0.265 0.0216 1.07 0.268 0.0223 1.22 1.6193 0.9977 2066645 IFLab1_002208 Brc1ccc(CN2CCc3c(OCC(=O)N4CCOCC4)cccc3C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E09 compound treatment 0.26 0.0166 0.82 0.262 0.0163 0.89 1.2121 0.9991 2066646 IFLab1_002209 Cc1cccc(c1C)n2nc3CSCc3c2NC(=O)/C=C\c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E10 compound treatment 0.258 0.0146 0.72 0.256 0.0103 0.56 0.9096 0.9925 2066647 IFLab1_002210 CN1CCc2c(OCC(=O)N3CCc4ccccc34)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E11 compound treatment 0.249 0.00562 0.28 0.248 0.00229 0.13 0.2852 0.9356 2066648 IFLab1_002211 O=C(CSC1=NN2CCCC(=O)N=C2S1)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E12 compound treatment 0.251 0.00762 0.38 0.254 0.00829 0.45 0.5877 0.9956 2066649 IFLab1_002212 CCN1CCc2c(OCC(=O)N3CCCc4ccccc34)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E13 compound treatment 0.282 0.0386 1.91 0.254 0.00829 0.45 1.6701 0.8518 1274679 IFLab1_002213 Cn1cc(SCC(=O)NC2CCCCC2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E14 compound treatment 0.248 0.00462 0.23 0.248 0.00229 0.13 0.2503 0.9603 2066650 IFLab1_002214 CC1CCN(CC1)C(=O)COc2cccc3C(=O)N(Cc4ccccc4)CCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E15 compound treatment 0.254 0.0106 0.52 0.257 0.0113 0.62 0.8087 0.9966 1546893 IFLab1_002215 Cn1cc(SCC(=O)Nc2nccs2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E16 compound treatment 0.25 0.00662 0.33 0.253 0.00729 0.4 0.514 0.9951 1267123 IFLab1_002216 O=C(CSCC(=O)N1CCOCC1)Nc2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E17 compound treatment 0.281 0.0376 1.86 0.286 0.0403 2.21 2.8759 0.9963 1512881 IFLab1_002217 CCSc1nnc(NC(=O)CSc2cn(CC)c3ccccc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E18 compound treatment 0.249 0.00562 0.28 0.252 0.00629 0.34 0.4403 0.9942 1192525 IFLab1_002218 CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E19 compound treatment 0.248 0.00462 0.23 0.239 -0.00671 -0.37 -0.0986 -0.2278 1431821 IFLab1_002219 O=C(CSc1c[nH]c2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E20 compound treatment 0.247 0.00362 0.18 0.248 0.00229 0.13 0.2154 0.985 1522936 IFLab1_002220 Cc1ccc(cc1)n2nc3CS(=O)Cc3c2NC(=O)C4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E21 compound treatment 0.251 0.00762 0.38 0.245 -7.1E-4 -0.04 0.2387 0.6307 1248786 IFLab1_002221 COc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E22 compound treatment 0.25 0.00662 0.33 0.247 0.00129 0.07 0.2814 0.8406 1196087 IFLab1_002222 COc1ccc(cc1)n2nc3CS(=O)Cc3c2NC(=O)c4cccc(F)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E23 mock treatment 0.246 0.00262 0.13 0.243 -0.00271 -0.15 -0.0134 -0.0679 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 E24 mock treatment 0.24 -0.00338 -0.17 0.243 -0.00271 -0.15 -0.2229 -0.9984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F01 compound treatment 0.249 0.00562 0.28 0.241 -0.00471 -0.26 0.0138 0.0364 2066651 IFLab1_002223 CCn1c(=NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F02 compound treatment 0.272 0.0286 1.41 0.275 0.0293 1.61 2.1351 0.998 2066652 IFLab1_002224 Clc1ccc(cc1)n2c(SCC(=O)NCCc3ccccc3)nc4CCSc4c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F03 compound treatment 0.278 0.0346 1.71 0.278 0.0323 1.77 2.4609 0.9998 2066653 IFLab1_002225 CC(C)CSc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F04 compound treatment 0.303 0.0596 2.94 0.297 0.0513 2.81 4.0705 0.9997 1401085 IFLab1_002226 COC(=O)C(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4cc(C)cc(C)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F05 compound treatment 0.25 0.00662 0.33 0.257 0.0113 0.62 0.6691 0.9556 2066654 IFLab1_002227 CC(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F06 compound treatment 0.301 0.0576 2.85 0.289 0.0433 2.37 3.6905 0.9959 2066655 IFLab1_002228 COc1ccc(/C=C/C(=O)NCCSc2c[nH]c3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F07 compound treatment 0.257 0.0136 0.67 0.26 0.0143 0.78 1.0298 0.9971 1116063 IFLab1_002229 N(c1ccccc1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F08 compound treatment 0.251 0.00762 0.38 0.262 0.0163 0.89 0.8978 0.9263 2066656 IFLab1_002230 O=C(NCCSc1c[nH]c2ccccc12)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F09 compound treatment 0.253 0.00962 0.48 0.248 0.00229 0.13 0.4249 0.8643 1433115 IFLab1_002231 Cc1ccc(CNc2ncnc3[nH]cnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F10 compound treatment 0.253 0.00962 0.48 0.254 0.00829 0.45 0.6575 0.9998 2066657 IFLab1_002232 Cc1[nH]c2ccccc2c1SCCNC(=O)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F11 compound treatment 0.246 0.00262 0.13 0.252 0.00629 0.34 0.3355 0.9107 1515739 IFLab1_002233 C1CCC(C1)Nc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F12 compound treatment 0.267 0.0236 1.17 0.258 0.0123 0.67 1.3014 0.966 2066658 IFLab1_002234 CCC(=O)NCCSc1c([nH]c2ccccc12)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F13 compound treatment 0.26 0.0166 0.82 0.26 0.0143 0.78 1.1346 0.9997 1116026 IFLab1_002235 C1CCN(C1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F14 compound treatment 0.252 0.00862 0.43 0.246 2.9E-4 0.02 0.3124 0.733 1986747 IFLab1_002236 CCn1c(CNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F15 compound treatment 0.256 0.0126 0.62 0.254 0.00829 0.45 0.7623 0.9879 1025691 IFLab1_002237 CC(Sc1ncnc2[nH]cnc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F16 compound treatment 0.261 0.0176 0.87 0.253 0.00729 0.4 0.8981 0.9377 2066659 IFLab1_002238 CCC(=O)NCc1nc2ccccc2n1C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F17 compound treatment 0.26 0.0166 0.82 0.253 0.00729 0.4 0.8632 0.9453 2066660 IFLab1_002239 CCN(c1ccc(CC)cc1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F18 compound treatment 0.263 0.0196 0.97 0.258 0.0123 0.67 1.1618 0.9842 2066661 IFLab1_002240 CC(=O)NCc1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F19 compound treatment 0.249 0.00562 0.28 0.249 0.00329 0.18 0.324 0.9782 2066662 IFLab1_002241 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F20 compound treatment 0.255 0.0116 0.57 0.253 0.00729 0.4 0.6886 0.9844 2066663 IFLab1_002242 CC(C)Cn1c(CNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F21 compound treatment 0.256 0.0126 0.62 0.254 0.00829 0.45 0.7623 0.9879 2066664 IFLab1_002243 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F22 compound treatment 0.252 0.00862 0.43 0.251 0.00529 0.29 0.5063 0.9825 2066665 IFLab1_002244 CCCC(=O)NCc1nc2ccccc2n1CC(=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F23 mock treatment 0.247 0.00362 0.18 0.253 0.00729 0.4 0.4092 0.9344 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 F24 mock treatment 0.246 0.00262 0.13 0.245 -7.1E-4 -0.04 0.0641 0.474 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G01 compound treatment 0.242 -0.00138 -0.07 0.245 -7.1E-4 -0.04 -0.0755 -0.9651 1529122 IFLab1_002245 COc1cccc(NC(=O)c2ccc3CCCCc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G02 compound treatment 0.245 0.00162 0.08 0.248 0.00229 0.13 0.1455 0.9766 1264034 IFLab1_002246 COc1ccc(cc1)C(=O)Nc2ccc(cc2)n3nncc3C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G03 compound treatment 0.25 0.00662 0.33 0.247 0.00129 0.07 0.2814 0.8406 1737761 IFLab1_002247 NC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc4CCCCc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G04 compound treatment 0.25 0.00662 0.33 0.257 0.0113 0.62 0.6691 0.9556 1611845 IFLab1_002248 O=C(Nc1ccc(cc1)n2nncc2c3ccccc3)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G05 compound treatment 0.291 0.0476 2.35 0.28 0.0343 1.88 2.9924 0.9938 1578795 IFLab1_002249 CN1CCc2c(C(=O)N)c(NC(=O)c3ccc4ncsc4c3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G06 compound treatment 0.253 0.00962 0.48 0.247 0.00129 0.07 0.3861 0.8035 1503991 IFLab1_002250 O=C(CSc1cn(CCNC(=O)c2ccccc2)c3ccccc13)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G07 compound treatment 0.252 0.00862 0.43 0.248 0.00229 0.13 0.39 0.8782 2066666 IFLab1_002251 CC(C)(C)C(=O)Nc1c2CS(=O)(=O)Cc2nn1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G08 compound treatment 0.244 6.25E-4 0.03 0.253 0.00729 0.4 0.3045 0.7594 2066667 IFLab1_002252 COc1cccc2C(=O)N(C)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G09 compound treatment 0.251 0.00762 0.38 0.247 0.00129 0.07 0.3163 0.8255 2066668 IFLab1_002253 O=C1CCCN2N=C(SCc3ccccc3)SC2=N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G10 compound treatment 0.252 0.00862 0.43 0.253 0.00729 0.4 0.5838 0.9995 2066669 IFLab1_002254 CN1CCc2c(OCC(=O)Nc3ccccc3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G11 compound treatment 0.252 0.00862 0.43 0.244 -0.00171 -0.09 0.2349 0.5386 1988980 IFLab1_002255 CC(C)SC1=NN2CCCC(=O)N=C2S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G12 compound treatment 0.259 0.0156 0.77 0.257 0.0113 0.62 0.9833 0.994 2066670 IFLab1_002256 CCN1CCc2c(OCC(=O)Nc3ccccc3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G13 compound treatment 0.251 0.00762 0.38 0.257 0.0113 0.62 0.704 0.9716 1711507 IFLab1_002257 Cn1cc(SCC(=O)N2CCc3ccccc23)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G14 compound treatment 0.247 0.00362 0.18 0.246 2.9E-4 0.02 0.1378 0.767 2066671 IFLab1_002258 O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G15 compound treatment 0.253 0.00962 0.48 0.25 0.00429 0.24 0.5024 0.9474 1700924 IFLab1_002259 Cc1cc(NC(=O)CSc2cn(C)c3ccccc23)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G16 compound treatment 0.314 0.0706 3.49 0.253 0.00729 0.4 2.7487 0.783 1624721 IFLab1_002260 CC1CCCCN1C(=O)CSCC(=O)Nc2nc(cs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G17 compound treatment 0.291 0.0476 2.35 0.262 0.0163 0.89 2.2945 0.9121 1575716 IFLab1_002261 CCCn1cc(SCC(=O)NC2CCCCC2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G18 compound treatment 0.297 0.0536 2.65 0.285 0.0393 2.15 3.3958 0.9948 1550535 IFLab1_002262 Clc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccc(Br)o4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G19 compound treatment 0.237 -0.00638 -0.31 0.241 -0.00471 -0.26 -0.4052 -0.9952 1246056 IFLab1_002263 O=C(CSc1c[nH]c2ccccc12)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G20 compound treatment 0.257 0.0136 0.67 0.251 0.00529 0.29 0.6809 0.9293 1243084 IFLab1_002264 Clc1cccc(c1)n2nc3CS(=O)Cc3c2NC(=O)C4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G21 compound treatment 0.244 6.25E-4 0.03 0.243 -0.00271 -0.15 -0.0832 -0.5485 1195249 IFLab1_002265 CCOc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G22 compound treatment 0.248 0.00462 0.23 0.249 0.00329 0.18 0.2891 0.9932 1386808 IFLab1_002266 COc1cccc(c1)C(=O)Nc2c3CS(=O)Cc3nn2c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G23 mock treatment 0.245 0.00162 0.08 0.242 -0.00371 -0.2 -0.0871 -0.3983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 G24 mock treatment 0.25 0.00662 0.33 0.25 0.00429 0.24 0.3977 0.9869 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H01 compound treatment 0.237 -0.00638 -0.31 0.244 -0.00171 -0.09 -0.2889 -0.8795 2066672 IFLab1_002267 CCn1c(=NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H02 compound treatment 0.282 0.0386 1.91 0.266 0.0203 1.11 2.1354 0.9671 2066673 IFLab1_002268 CCC(C)Sc1nc2CCSc2c(=O)n1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H03 compound treatment 0.263 0.0196 0.97 0.28 0.0343 1.88 2.0147 0.9525 2066674 IFLab1_002269 O=c1[nH]c(SCc2ccccc2)nc3n(ncc13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H04 compound treatment 0.286 0.0426 2.1 0.274 0.0283 1.55 2.5852 0.9887 1232933 IFLab1_002270 CCOC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H05 compound treatment 0.246 0.00262 0.13 0.25 0.00429 0.24 0.258 0.9606 1719331 IFLab1_002271 Cc1[nH]c2ccccc2c1SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H06 compound treatment 0.239 -0.00438 -0.22 0.239 -0.00671 -0.37 -0.4129 -0.9678 2066675 IFLab1_002272 O=C(NCCSc1c[nH]c2ccccc12)C3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H07 compound treatment 0.251 0.00762 0.38 0.254 0.00829 0.45 0.5877 0.9956 1716215 IFLab1_002273 Cc1ccccc1Nc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H08 compound treatment 0.257 0.0136 0.67 0.254 0.00829 0.45 0.7972 0.9818 2066676 IFLab1_002274 O=C(NCCSc1c[nH]c2ccccc12)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H09 compound treatment 0.25 0.00662 0.33 0.251 0.00529 0.29 0.4364 0.9982 1011397 IFLab1_002275 OCCNc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H10 compound treatment 0.288 0.0446 2.2 0.28 0.0343 1.88 2.8877 0.9969 2066677 IFLab1_002276 Cc1[nH]c2ccccc2c1SCCNC(=O)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H11 compound treatment 0.247 0.00362 0.18 0.243 -0.00271 -0.15 0.0215 0.0925 1504774 IFLab1_002277 C(Nc1ncnc2[nH]cnc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H12 compound treatment 0.258 0.0146 0.72 0.247 0.00129 0.07 0.5607 0.7727 2066678 IFLab1_002278 CC(=O)NCCSc1c([nH]c2ccccc12)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H13 compound treatment 0.267 0.0236 1.17 0.264 0.0183 1.0 1.5341 0.9972 1215993 IFLab1_002279 CC1CC(C)CN(C1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H14 compound treatment 0.25 0.00662 0.33 0.245 -7.1E-4 -0.04 0.2038 0.6186 2066679 IFLab1_002280 CCC(=O)NCc1nc2ccccc2n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H15 compound treatment 0.26 0.0166 0.82 0.257 0.0113 0.62 1.0182 0.9903 1660279 IFLab1_002281 Cc1cccc(CSc2ncnc3[nH]cnc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H16 compound treatment 0.249 0.00562 0.28 0.25 0.00429 0.24 0.3628 0.9966 2066680 IFLab1_002282 CCCCn1c(CNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H17 compound treatment 0.253 0.00962 0.48 0.255 0.00929 0.51 0.6963 0.9994 2066681 IFLab1_002283 CCCN(c1ccc(OCC)cc1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H18 compound treatment 0.243 -3.75E-4 -0.02 0.248 0.00229 0.13 0.0757 0.5964 2066682 IFLab1_002284 Cc1ccccc1Cn2c(CNC(=O)C(C)(C)C)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H19 compound treatment 0.246 0.00262 0.13 0.25 0.00429 0.24 0.258 0.9606 2066683 IFLab1_002285 CSc1nc2CCSc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H20 compound treatment 0.25 0.00662 0.33 0.248 0.00229 0.13 0.3201 0.9135 2066684 IFLab1_002286 CCC(=O)NCc1nc2ccccc2n1CC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H21 compound treatment 0.255 0.0116 0.57 0.255 0.00929 0.51 0.7661 0.9982 2066685 IFLab1_002287 CCSc1nc2CCSc2c(=O)n1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H22 compound treatment 0.247 0.00362 0.18 0.242 -0.00371 -0.2 -0.0172 -0.0637 2066686 IFLab1_002288 CC(=C)Cn1c(CNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H23 mock treatment 0.254 0.0106 0.52 0.248 0.00229 0.13 0.4598 0.8523 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 H24 mock treatment 0.243 -3.75E-4 -0.02 0.249 0.00329 0.18 0.1145 0.6312 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I01 compound treatment 0.242 -0.00138 -0.07 0.237 -0.00871 -0.48 -0.3857 -0.7996 1273039 IFLab1_002289 CCOC(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I02 compound treatment 0.254 0.0106 0.52 0.258 0.0123 0.67 0.8475 0.9923 2066687 IFLab1_002290 CCOc1ccccc1C(=O)Nc2ccc(cc2)n3nncc3C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I03 compound treatment 0.253 0.00962 0.48 0.252 0.00629 0.34 0.58 0.9876 1441041 IFLab1_002291 CC1CN(CC(C)O1)C(=O)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I04 compound treatment 0.266 0.0226 1.12 0.264 0.0183 1.0 1.4991 0.9985 1452546 IFLab1_002292 O=C(Nc1ccc(cc1)n2nncc2c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I05 compound treatment 0.289 0.0456 2.25 0.287 0.0413 2.26 3.194 1.0 1459497 IFLab1_002293 CCCCC1CCC(CC1)C(=O)Nc2c3CS(=O)(=O)Cc3nn2C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I06 compound treatment 0.271 0.0276 1.36 0.262 0.0163 0.89 1.5962 0.9789 1453256 IFLab1_002294 O=C(CSc1cn(CCNC(=O)c2ccccc2)c3ccccc13)NCc4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I07 compound treatment 0.246 0.00262 0.13 0.245 -7.1E-4 -0.04 0.0641 0.474 1388827 IFLab1_002295 Fc1ccc(cc1)n2nc3CS(=O)(=O)Cc3c2NC(=O)CCC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I08 compound treatment 0.257 0.0136 0.67 0.258 0.0123 0.67 0.9523 1.0 2066688 IFLab1_002296 CCCOc1cccc2C(=O)N(C)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I09 compound treatment 0.251 0.00762 0.38 0.255 0.00929 0.51 0.6264 0.9889 2066689 IFLab1_002297 CCOC(=O)CSC1=NN2CCCC(=O)N=C2S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I10 compound treatment 0.257 0.0136 0.67 0.257 0.0113 0.62 0.9135 0.9991 2066690 IFLab1_002298 CN1CCc2c(OCC(=O)NCc3ccco3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I11 compound treatment 0.254 0.0106 0.52 0.251 0.00529 0.29 0.5761 0.961 2066691 IFLab1_002299 O=C(CSC1=NN2CCCC(=O)N=C2S1)OCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I12 compound treatment 0.26 0.0166 0.82 0.251 0.00529 0.29 0.7856 0.9023 2066692 IFLab1_002300 CCN1CCc2c(OCC(=O)NCc3ccco3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I13 compound treatment 0.255 0.0116 0.57 0.247 0.00129 0.07 0.4559 0.7883 1570021 IFLab1_002301 Cn1cc(SCC(=O)N2CCCc3ccccc23)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I14 compound treatment 0.252 0.00862 0.43 0.247 0.00129 0.07 0.3512 0.8134 2066693 IFLab1_002302 O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I15 compound treatment 0.251 0.00762 0.38 0.249 0.00329 0.18 0.3938 0.9432 1196611 IFLab1_002303 CCn1cc(SCC(=O)N2CCOCC2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I16 compound treatment 0.286 0.0426 2.1 0.292 0.0463 2.54 3.2831 0.9957 1651192 IFLab1_002304 CC1CCCN(C1)C(=O)CSCC(=O)Nc2nc(cs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I17 compound treatment 0.258 0.0146 0.72 0.259 0.0133 0.73 1.0259 1.0 1710188 IFLab1_002305 CCCn1cc(SCC(=O)NCc2ccco2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I18 compound treatment 0.26 0.0166 0.82 0.259 0.0133 0.73 1.0958 0.9982 1308271 IFLab1_002306 Clc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I19 compound treatment 0.246 0.00262 0.13 0.249 0.00329 0.18 0.2192 0.9868 1445814 IFLab1_002307 O=C(CSc1c[nH]c2ccccc12)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I20 compound treatment 0.249 0.00562 0.28 0.245 -7.1E-4 -0.04 0.1689 0.6022 1275791 IFLab1_002308 Cc1ccc(cc1)n2nc3CS(=O)Cc3c2NC(=O)CCC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I21 compound treatment 0.252 0.00862 0.43 0.254 0.00829 0.45 0.6226 0.9995 1390944 IFLab1_002309 COc1ccc(CCNC(=O)CSc2c[nH]c3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I22 compound treatment 0.259 0.0156 0.77 0.256 0.0103 0.56 0.9446 0.9882 1616799 IFLab1_002310 CCOc1ccc(cc1)C(=O)Nc2c3CS(=O)Cc3nn2c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I23 mock treatment 0.251 0.00762 0.38 0.254 0.00829 0.45 0.5877 0.9956 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 I24 mock treatment 0.25 0.00662 0.33 0.252 0.00629 0.34 0.4752 0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J01 compound treatment 0.241 -0.00238 -0.12 0.244 -0.00171 -0.09 -0.1492 -0.9938 2066694 IFLab1_002311 C=CCSc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J02 compound treatment 0.274 0.0306 1.51 0.262 0.0163 0.89 1.7009 0.9684 1702777 IFLab1_002312 NC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J03 compound treatment 0.273 0.0296 1.46 0.276 0.0303 1.66 2.2088 0.998 2066695 IFLab1_002313 FC(F)(F)c1cccc(CSc2nc3n(ncc3c(=O)[nH]2)c4ccccc4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J04 compound treatment 0.293 0.0496 2.45 0.29 0.0443 2.43 3.45 1.0 1237051 IFLab1_002314 CCOC(=O)C(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J05 compound treatment 0.248 0.00462 0.23 0.249 0.00329 0.18 0.2891 0.9932 1157350 IFLab1_002315 Cc1[nH]c2ccccc2c1SCC(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J06 compound treatment 0.252 0.00862 0.43 0.24 -0.00571 -0.31 0.0798 0.151 2066696 IFLab1_002316 Fc1cccc(F)c1C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J07 compound treatment 0.25 0.00662 0.33 0.25 0.00429 0.24 0.3977 0.9869 1105705 IFLab1_002317 Cc1cccc(Nc2ncnc3[nH]cnc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J08 compound treatment 0.25 0.00662 0.33 0.251 0.00529 0.29 0.4364 0.9982 2066697 IFLab1_002318 CC(Oc1ccccc1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J09 compound treatment 0.25 0.00662 0.33 0.247 0.00129 0.07 0.2814 0.8406 1554706 IFLab1_002319 C(Nc1ncnc2[nH]cnc12)C3CCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J10 compound treatment 0.246 0.00262 0.13 0.24 -0.00571 -0.31 -0.1297 -0.3828 2066698 IFLab1_002320 CC(=O)NCCSc1c(C)[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J11 compound treatment 0.266 0.0226 1.12 0.245 -7.1E-4 -0.04 0.7625 0.6821 1287684 IFLab1_002321 CCC(CO)Nc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J12 compound treatment 0.254 0.0106 0.52 0.245 -7.1E-4 -0.04 0.3435 0.6529 2066699 IFLab1_002322 CC(=O)NCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J13 compound treatment 0.248 0.00462 0.23 0.253 0.00729 0.4 0.4441 0.9648 1206546 IFLab1_002323 C1Cc2ccccc2N1c3ncnc4[nH]cnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J14 compound treatment 0.249 0.00562 0.28 0.246 2.9E-4 0.02 0.2077 0.7464 2066700 IFLab1_002324 CCn1c(CNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J15 compound treatment 0.248 0.00462 0.23 0.248 0.00229 0.13 0.2503 0.9603 1015839 IFLab1_002325 Fc1cccc(CSc2ncnc3[nH]cnc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J16 compound treatment 0.25 0.00662 0.33 0.242 -0.00371 -0.2 0.0875 0.2272 2066701 IFLab1_002326 CCCCn1c(CNC(=O)CC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J17 compound treatment 0.251 0.00762 0.38 0.256 0.0103 0.56 0.6652 0.9807 2066702 IFLab1_002327 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J18 compound treatment 0.247 0.00362 0.18 0.246 2.9E-4 0.02 0.1378 0.767 2066703 IFLab1_002328 COCC(=O)NCc1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J19 compound treatment 0.253 0.00962 0.48 0.251 0.00529 0.29 0.5412 0.9719 2066704 IFLab1_002329 O=c1c2SCCc2nc(SCc3ccccc3)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J20 compound treatment 0.243 -3.75E-4 -0.02 0.241 -0.00471 -0.26 -0.1957 -0.7559 2066705 IFLab1_002330 CC(C)Cn1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J21 compound treatment 0.245 0.00162 0.08 0.25 0.00429 0.24 0.2231 0.8975 2066706 IFLab1_002331 CCSc1nc2CCSc2c(=O)n1c3ccccc3OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J22 compound treatment 0.245 0.00162 0.08 0.247 0.00129 0.07 0.1068 0.998 2066707 IFLab1_002332 CC(=C)Cn1c(CNC(=O)c2ccc(F)cc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J23 mock treatment 0.249 0.00562 0.28 0.245 -7.1E-4 -0.04 0.1689 0.6022 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 J24 mock treatment 0.244 6.25E-4 0.03 0.252 0.00629 0.34 0.2657 0.7673 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K01 compound treatment 0.24 -0.00338 -0.17 0.245 -7.1E-4 -0.04 -0.1454 -0.8494 1379846 IFLab1_002333 NS(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K02 compound treatment 0.244 6.25E-4 0.03 0.247 0.00129 0.07 0.0719 0.9309 2066708 IFLab1_002334 CC(C)(C)c1cnnn1c2ccc(NC(=O)c3ccc(Br)o3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K03 compound treatment 0.288 0.0446 2.2 0.274 0.0283 1.55 2.655 0.9852 1415594 IFLab1_002335 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4CCCCc4c3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K04 compound treatment 0.251 0.00762 0.38 0.251 0.00529 0.29 0.4714 0.9917 2066709 IFLab1_002336 CC(=O)Nc1ccc(cc1)n2nncc2c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K05 compound treatment 0.247 0.00362 0.18 0.246 2.9E-4 0.02 0.1378 0.767 1736282 IFLab1_002337 CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K06 compound treatment 0.294 0.0506 2.5 0.28 0.0343 1.88 3.0972 0.9901 1606600 IFLab1_002338 O=C(CSc1cn(CCNC(=O)c2ccccc2)c3ccccc13)Nc4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K07 compound treatment 0.252 0.00862 0.43 0.26 0.0143 0.78 0.8552 0.959 1259324 IFLab1_002339 Cc1cccc(c1C)n2nc3CS(=O)(=O)Cc3c2NC(=O)c4c(F)cccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K08 compound treatment 0.249 0.00562 0.28 0.254 0.00829 0.45 0.5178 0.9721 2066710 IFLab1_002340 CCC1CCCCN1C(=O)COc2cccc3C(=O)N(C)CCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K09 compound treatment 0.244 6.25E-4 0.03 0.246 2.9E-4 0.02 0.0331 0.9526 2066711 IFLab1_002341 CCC1CCCCN1C(=O)CSC2=NN3CCCC(=O)N=C3S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K10 compound treatment 0.251 0.00762 0.38 0.245 -7.1E-4 -0.04 0.2387 0.6307 2066712 IFLab1_002342 CCCOc1cccc2C(=O)N(CC)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K11 compound treatment 0.252 0.00862 0.43 0.247 0.00129 0.07 0.3512 0.8134 2066713 IFLab1_002343 O=C(CSC1=NN2CCCC(=O)N=C2S1)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K12 compound treatment 0.249 0.00562 0.28 0.253 0.00729 0.4 0.4791 0.9842 2066714 IFLab1_002344 COC(=O)c1ccc(COc2cccc3C(=O)N(Cc4ccccc4)CCc23)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K13 compound treatment 0.249 0.00562 0.28 0.242 -0.00371 -0.2 0.0526 0.1527 1287039 IFLab1_002345 Cc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K14 compound treatment 0.239 -0.00438 -0.22 0.248 0.00229 0.13 -0.064 -0.256 2066715 IFLab1_002346 O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)NCc4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K15 compound treatment 0.278 0.0346 1.71 0.265 0.0193 1.06 1.9569 0.9733 1337054 IFLab1_002347 CCn1cc(SCC(=O)NC2CCCCC2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K16 compound treatment 0.255 0.0116 0.57 0.249 0.00329 0.18 0.5335 0.8866 1485238 IFLab1_002348 Cc1sc(NC(=O)CSCC(=O)N2CCCCC2)nc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K17 compound treatment 0.284 0.0406 2.01 0.289 0.0433 2.37 3.0969 0.9965 1720561 IFLab1_002349 CCCn1cc(SCC(=O)Nc2nccs2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K18 compound treatment 0.252 0.00862 0.43 0.254 0.00829 0.45 0.6226 0.9995 1691725 IFLab1_002350 Fc1ccc(cc1)C2N(CC(=O)Nc3ccc(F)cc23)C(=O)C4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K19 compound treatment 0.246 0.00262 0.13 0.247 0.00129 0.07 0.1417 0.9594 1714284 IFLab1_002351 O=C(CSc1c[nH]c2ccccc12)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K20 compound treatment 0.253 0.00962 0.48 0.244 -0.00171 -0.09 0.2698 0.5569 2066716 IFLab1_002352 CC(C)CC(=O)Nc1c2CS(=O)Cc2nn1c3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K21 compound treatment 0.245 0.00162 0.08 0.251 0.00529 0.29 0.2618 0.87 1552804 IFLab1_002353 COc1ccc(NC(=O)CSc2c[nH]c3ccccc23)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K22 compound treatment 0.249 0.00562 0.28 0.245 -7.1E-4 -0.04 0.1689 0.6022 1685998 IFLab1_002354 CC(C)(C)c1ccc(cc1)C(=O)Nc2c3CS(=O)Cc3nn2c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K23 mock treatment 0.248 0.00462 0.23 0.249 0.00329 0.18 0.2891 0.9932 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 K24 mock treatment 0.246 0.00262 0.13 0.254 0.00829 0.45 0.4131 0.8739 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L01 compound treatment 0.254 0.0106 0.52 0.244 -0.00171 -0.09 0.3047 0.5717 2066717 IFLab1_002355 CSc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L02 compound treatment 0.299 0.0556 2.75 0.312 0.0663 3.63 4.5124 0.9905 1500101 IFLab1_002356 CSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L03 compound treatment 0.271 0.0276 1.36 0.263 0.0173 0.95 1.635 0.9842 2066718 IFLab1_002357 Cc1cccc(CSc2nc3n(ncc3c(=O)[nH]2)c4ccc(Cl)cc4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L04 compound treatment 0.302 0.0586 2.89 0.31 0.0643 3.53 4.5396 0.9952 1324500 IFLab1_002358 COC(=O)C(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L05 compound treatment 0.257 0.0136 0.67 0.248 0.00229 0.13 0.5646 0.8248 1682223 IFLab1_002359 Cc1[nH]c2ccccc2c1SCC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L06 compound treatment 0.253 0.00962 0.48 0.252 0.00629 0.34 0.58 0.9876 2066719 IFLab1_002360 COc1ccccc1C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L07 compound treatment 0.252 0.00862 0.43 0.253 0.00729 0.4 0.5838 0.9995 1015182 IFLab1_002361 COc1ccc(Nc2ncnc3[nH]cnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L08 compound treatment 0.255 0.0116 0.57 0.252 0.00629 0.34 0.6498 0.9703 2066720 IFLab1_002362 Cc1cccc(c1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L09 compound treatment 0.244 6.25E-4 0.03 0.25 0.00429 0.24 0.1882 0.7931 1540141 IFLab1_002363 CC(Nc1ncnc2[nH]cnc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L10 compound treatment 0.247 0.00362 0.18 0.246 2.9E-4 0.02 0.1378 0.767 2066721 IFLab1_002364 Cc1[nH]c2ccccc2c1SCCNC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L11 compound treatment 0.24 -0.00338 -0.17 0.243 -0.00271 -0.15 -0.2229 -0.9984 1666417 IFLab1_002365 CCCN(CCC)c1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L12 compound treatment 0.248 0.00462 0.23 0.247 0.00129 0.07 0.2115 0.8847 2066722 IFLab1_002366 CCC(=O)NCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L13 compound treatment 0.257 0.0136 0.67 0.25 0.00429 0.24 0.6421 0.9009 1569766 IFLab1_002367 OC1CCN(CC1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L14 compound treatment 0.243 -3.75E-4 -0.02 0.248 0.00229 0.13 0.0757 0.5964 2066723 IFLab1_002368 CCn1c(CNC(=O)COC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L15 compound treatment 0.247 0.00362 0.18 0.248 0.00229 0.13 0.2154 0.985 1070173 IFLab1_002369 COc1ccccc1CNc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L16 compound treatment 0.257 0.0136 0.67 0.246 2.9E-4 0.02 0.487 0.7236 2066724 IFLab1_002370 CCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L17 compound treatment 0.262 0.0186 0.92 0.26 0.0143 0.78 1.2044 0.9968 2066725 IFLab1_002371 CCC1CCCCN1C(=O)CSc2nc3CCSc3c(=O)n2c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L18 compound treatment 0.247 0.00362 0.18 0.247 0.00129 0.07 0.1766 0.9175 2066726 IFLab1_002372 CCCC(=O)NCc1nc2ccccc2n1Cc3cc(C)ccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L19 compound treatment 0.269 0.0256 1.27 0.272 0.0263 1.44 1.9141 0.9979 2066727 IFLab1_002373 COC(=O)c1ccc(CSc2nc3CCSc3c(=O)n2c4ccccc4)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L20 compound treatment 0.249 0.00562 0.28 0.244 -0.00171 -0.09 0.1301 0.4439 2066728 IFLab1_002374 CC(C)Cn1c(CNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L21 compound treatment 0.284 0.0406 2.01 0.307 0.0613 3.36 3.7948 0.9696 2066729 IFLab1_002375 COc1ccccc1n2c(SCc3ccc(F)cc3)nc4CCSc4c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L22 compound treatment 0.243 -3.75E-4 -0.02 0.24 -0.00571 -0.31 -0.2345 -0.7476 2066730 IFLab1_002376 CC(=C)Cn1c(CNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L23 mock treatment 0.253 0.00962 0.48 0.251 0.00529 0.29 0.5412 0.9719 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 L24 mock treatment 0.246 0.00262 0.13 0.249 0.00329 0.18 0.2192 0.9868 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M01 compound treatment 0.24 -0.00338 -0.17 0.243 -0.00271 -0.15 -0.2229 -0.9984 1137296 IFLab1_002377 O=C(NCc1ccccc1)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M02 compound treatment 0.247 0.00362 0.18 0.243 -0.00271 -0.15 0.0215 0.0925 2066731 IFLab1_002378 CC(=O)Nc1ccc(cc1)n2nncc2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M03 compound treatment 0.253 0.00962 0.48 0.248 0.00229 0.13 0.4249 0.8643 1609713 IFLab1_002379 O=C(Nc1nc(cs1)c2ccncc2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M04 compound treatment 0.251 0.00762 0.38 0.244 -0.00171 -0.09 0.2 0.5153 2066732 IFLab1_002380 CSc1ncnc2n(cc(c3ccccc3)c12)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M05 compound treatment 0.251 0.00762 0.38 0.241 -0.00471 -0.26 0.0837 0.1832 1373988 IFLab1_002381 CC(=O)Nc1c2CS(=O)(=O)Cc2nn1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M06 compound treatment 0.256 0.0126 0.62 0.25 0.00429 0.24 0.6072 0.9112 1591870 IFLab1_002382 C=CCn1c(=O)c2ccccc2c3ccccc3c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M07 compound treatment 0.265 0.0216 1.07 0.262 0.0163 0.89 1.3867 0.9961 1542921 IFLab1_002383 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)CCC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M08 compound treatment 0.266 0.0226 1.12 0.262 0.0163 0.89 1.4216 0.9938 2066733 IFLab1_002384 CN1CCc2c(OCc3ccccc3Cl)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M09 compound treatment 0.248 0.00462 0.23 0.247 0.00129 0.07 0.2115 0.8847 2066734 IFLab1_002385 O=C(CSC1=NN2CCCC(=O)N=C2S1)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M10 compound treatment 0.244 6.25E-4 0.03 0.24 -0.00571 -0.31 -0.1995 -0.6343 2066735 IFLab1_002386 CCN1CCc2c(OC(C)C)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M11 compound treatment 0.247 0.00362 0.18 0.24 -0.00571 -0.31 -0.0948 -0.2628 1736080 IFLab1_002387 O=C(CSc1cn(Cc2ccccc2)c3ccccc13)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M12 compound treatment 0.241 -0.00238 -0.12 0.246 2.9E-4 0.02 -0.0717 -0.6056 2066736 IFLab1_002388 COc1cccc2C(=O)N(Cc3ccccc3)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M13 compound treatment 0.263 0.0196 0.97 0.247 0.00129 0.07 0.7353 0.7567 1211414 IFLab1_002389 CCOC(=O)c1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M14 compound treatment 0.247 0.00362 0.18 0.243 -0.00271 -0.15 0.0215 0.0925 2066737 IFLab1_002390 Cc1ccccc1CN2CCc3c(OCC(=O)N4CCOCC4)cccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M15 compound treatment 0.242 -0.00138 -0.07 0.252 0.00629 0.34 0.1959 0.5572 1364028 IFLab1_002391 CCn1cc(SCC(=O)N2CCc3ccccc23)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M16 compound treatment 0.243 -3.75E-4 -0.02 0.245 -7.1E-4 -0.04 -0.0406 -0.9423 1545038 IFLab1_002392 CC(C)CC(=O)N1CC(=O)Nc2ccc(C)cc2C1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M17 compound treatment 0.282 0.0386 1.91 0.26 0.0143 0.78 1.9027 0.9228 1675792 IFLab1_002393 CCCn1cc(SCC(=O)Nc2nnc(SCC)s2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M18 compound treatment 0.247 0.00362 0.18 0.239 -0.00671 -0.37 -0.1336 -0.3264 1149106 IFLab1_002394 CC(Oc1ccccc1)C(=O)N2CC(=O)Nc3ccc(F)cc3C2c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M19 compound treatment 0.28 0.0366 1.81 0.263 0.0173 0.95 1.9492 0.9546 1575533 IFLab1_002395 O=C(CSc1c[nH]c2ccccc12)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M20 compound treatment 0.246 0.00262 0.13 0.241 -0.00471 -0.26 -0.0909 -0.3147 1739369 IFLab1_002396 Cc1cccc(c1C)n2nc3CS(=O)Cc3c2NC(=O)c4ccc(Br)o4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M21 compound treatment 0.246 0.00262 0.13 0.244 -0.00171 -0.09 0.0254 0.1586 1124986 IFLab1_002397 O=C(CSc1c[nH]c2ccccc12)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M22 compound treatment 0.243 -3.75E-4 -0.02 0.235 -0.0107 -0.59 -0.4283 -0.729 2066738 IFLab1_002398 FC(F)(F)c1cccc(c1)C(=O)Nc2c3CS(=O)Cc3nn2c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M23 mock treatment 0.244 6.25E-4 0.03 0.248 0.00229 0.13 0.1106 0.8554 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 M24 mock treatment 0.241 -0.00238 -0.12 0.249 0.00329 0.18 0.0446 0.2074 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N01 compound treatment 0.241 -0.00238 -0.12 0.246 2.9E-4 0.02 -0.0717 -0.6056 2066739 IFLab1_002399 CCSc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N02 compound treatment 0.24 -0.00338 -0.17 0.239 -0.00671 -0.37 -0.378 -0.9359 1246183 IFLab1_002400 CCSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N03 compound treatment 0.241 -0.00238 -0.12 0.245 -7.1E-4 -0.04 -0.1104 -0.8938 2066740 IFLab1_002401 Cc1ccc(cc1)n2ncc3c(=O)[nH]c(SCc4ccccc4F)nc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N04 compound treatment 0.246 0.00262 0.13 0.24 -0.00571 -0.31 -0.1297 -0.3828 2066741 IFLab1_002402 O=C(Cc1ccccc1)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N05 compound treatment 0.251 0.00762 0.38 0.25 0.00429 0.24 0.4326 0.9744 1703926 IFLab1_002403 O=C(CSc1c([nH]c2ccccc12)c3ccccc3)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N06 compound treatment 0.254 0.0106 0.52 0.242 -0.00371 -0.2 0.2272 0.4037 2066742 IFLab1_002404 COc1cccc(c1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N07 compound treatment 0.247 0.00362 0.18 0.243 -0.00271 -0.15 0.0215 0.0925 1680511 IFLab1_002405 CCOc1ccc(Nc2ncnc3[nH]cnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N08 compound treatment 0.249 0.00562 0.28 0.241 -0.00471 -0.26 0.0138 0.0364 2066743 IFLab1_002406 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N09 compound treatment 0.242 -0.00138 -0.07 0.236 -0.00971 -0.53 -0.4245 -0.7909 1606233 IFLab1_002407 COc1ccc(CNc2ncnc3[nH]cnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N10 compound treatment 0.246 0.00262 0.13 0.241 -0.00471 -0.26 -0.0909 -0.3147 2066744 IFLab1_002408 CC(C)C(=O)NCCSc1c(C)[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N11 compound treatment 0.238 -0.00538 -0.27 0.231 -0.0147 -0.81 -0.758 -0.8927 1628336 IFLab1_002409 C(N(Cc1ccccc1)c2ncnc3[nH]cnc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N12 compound treatment 0.236 -0.00738 -0.36 0.245 -7.1E-4 -0.04 -0.285 -0.7782 2066745 IFLab1_002410 CCCC(=O)NCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N13 compound treatment 0.246 0.00262 0.13 0.245 -7.1E-4 -0.04 0.0641 0.474 1343384 IFLab1_002411 Cc1ccc(C)c(c1)N2CCN(CC2)c3ncnc4[nH]cnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N14 compound treatment 0.245 0.00162 0.08 0.242 -0.00371 -0.2 -0.0871 -0.3983 2066746 IFLab1_002412 CCn1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N15 compound treatment 0.249 0.00562 0.28 0.245 -7.1E-4 -0.04 0.1689 0.6022 2066747 IFLab1_002413 C(CNc1ncnc2[nH]cnc12)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N16 compound treatment 0.247 0.00362 0.18 0.24 -0.00571 -0.31 -0.0948 -0.2628 2066748 IFLab1_002414 CCCCn1c(CNC(=O)COC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N17 compound treatment 0.241 -0.00238 -0.12 0.242 -0.00371 -0.2 -0.2268 -0.9658 2066749 IFLab1_002415 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N18 compound treatment 0.236 -0.00738 -0.36 0.25 0.00429 0.24 -0.0912 -0.2103 2066750 IFLab1_002416 CC(=O)NCc1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N19 compound treatment 0.243 -3.75E-4 -0.02 0.241 -0.00471 -0.26 -0.1957 -0.7559 2066751 IFLab1_002417 CCOC(=O)CSc1nc2CCSc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N20 compound treatment 0.255 0.0116 0.57 0.249 0.00329 0.18 0.5335 0.8866 2066752 IFLab1_002418 COc1ccc(cc1OC)C(=O)NCc2nc3ccccc3n2CC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N21 compound treatment 0.266 0.0226 1.12 0.259 0.0133 0.73 1.3053 0.9786 2066753 IFLab1_002419 COc1ccc(cc1)n2c(SCC(=O)NCCc3ccccc3)nc4CCSc4c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N22 compound treatment 0.243 -3.75E-4 -0.02 0.235 -0.0107 -0.59 -0.4283 -0.729 2066754 IFLab1_002420 CCCC(=O)NCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N23 mock treatment 0.238 -0.00538 -0.27 0.248 0.00229 0.13 -0.0989 -0.3368 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 N24 mock treatment 0.249 0.00562 0.28 0.249 0.00329 0.18 0.324 0.9782 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O01 compound treatment 0.246 0.00262 0.13 0.239 -0.00671 -0.37 -0.1685 -0.4319 2066755 IFLab1_002421 O=C(N1CCCCC1)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O02 compound treatment 0.248 0.00462 0.23 0.25 0.00429 0.24 0.3278 0.9999 2066756 IFLab1_002422 O=C(COc1ccccc1)Nc2ccc(cc2)n3nncc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O03 compound treatment 0.245 0.00162 0.08 0.244 -0.00171 -0.09 -0.0095 -0.0773 1560385 IFLab1_002423 COC(=O)c1sc(cc1NC(=O)C2COc3ccccc3O2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O04 compound treatment 0.247 0.00362 0.18 0.253 0.00729 0.4 0.4092 0.9344 1284076 IFLab1_002424 COc1ccc(cc1)n2cc(c3ccccc3)c4c(SC)ncnc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O05 compound treatment 0.249 0.00562 0.28 0.248 0.00229 0.13 0.2852 0.9356 1188956 IFLab1_002425 CC(C)C(=O)Nc1c2CS(=O)(=O)Cc2nn1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O06 compound treatment 0.252 0.00862 0.43 0.247 0.00129 0.07 0.3512 0.8134 1159535 IFLab1_002426 COCCn1c(=O)c2ccccc2c3ccccc3c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O07 compound treatment 0.246 0.00262 0.13 0.242 -0.00371 -0.2 -0.0522 -0.2163 1651482 IFLab1_002427 COc1cccc(C(=O)Nc2c3CSCc3nn2c4ccc(F)cc4)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O08 compound treatment 0.251 0.00762 0.38 0.258 0.0123 0.67 0.7428 0.9622 2066757 IFLab1_002428 CN1CCc2c(OCC(=O)N3CCCCCC3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O09 compound treatment 0.247 0.00362 0.18 0.242 -0.00371 -0.2 -0.0172 -0.0637 2066758 IFLab1_002429 O=C(CSC1=NN2CCCC(=O)N=C2S1)N3CCC(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O10 compound treatment 0.244 6.25E-4 0.03 0.246 2.9E-4 0.02 0.0331 0.9526 2066759 IFLab1_002430 CCN1CCc2c(OCc3ccc(C)cc3)cccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O11 compound treatment 0.236 -0.00738 -0.36 0.237 -0.00871 -0.48 -0.5952 -0.9911 1669221 IFLab1_002431 O=C(CSc1cn(Cc2ccccc2)c3ccccc13)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O12 compound treatment 0.24 -0.00338 -0.17 0.239 -0.00671 -0.37 -0.378 -0.9359 2066760 IFLab1_002432 CCCOc1cccc2C(=O)N(Cc3ccccc3)CCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O13 compound treatment 0.266 0.0226 1.12 0.244 -0.00171 -0.09 0.7237 0.6455 1539780 IFLab1_002433 Cn1cc(SCC(=O)Nc2ccc3OCCOc3c2)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O14 compound treatment 0.267 0.0236 1.17 0.277 0.0313 1.72 2.0381 0.9823 2066761 IFLab1_002434 Clc1ccc(COc2cccc3C(=O)N(Cc4cccnc4)CCc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O15 compound treatment 0.238 -0.00538 -0.27 0.242 -0.00371 -0.2 -0.3315 -0.9914 1338499 IFLab1_002435 CCn1cc(SCC(=O)Nc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O16 compound treatment 0.243 -3.75E-4 -0.02 0.243 -0.00271 -0.15 -0.1181 -0.7891 1234655 IFLab1_002436 Cc1ccc2NC(=O)CN(C(c3ccc(F)cc3)c2c1)C(=O)c4ccc(Br)o4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O17 compound treatment 0.249 0.00562 0.28 0.242 -0.00371 -0.2 0.0526 0.1527 1606138 IFLab1_002437 CCCn1cc(SCC(=O)Nc2cc(C)on2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O18 compound treatment 0.249 0.00562 0.28 0.252 0.00629 0.34 0.4403 0.9942 1356340 IFLab1_002438 CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O19 compound treatment 0.234 -0.00937 -0.46 0.238 -0.00771 -0.42 -0.6263 -0.999 1446040 IFLab1_002439 O=C(CSc1c[nH]c2ccccc12)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O20 compound treatment 0.246 0.00262 0.13 0.24 -0.00571 -0.31 -0.1297 -0.3828 1165282 IFLab1_002440 CC(C)C(=O)Nc1c2CS(=O)Cc2nn1C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O21 compound treatment 0.257 0.0136 0.67 0.34 0.0943 5.17 4.1314 0.7924 1658135 IFLab1_002441 CCSc1nnc(NC(=O)CSc2c[nH]c3ccccc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O22 compound treatment 0.238 -0.00538 -0.27 0.245 -7.1E-4 -0.04 -0.2152 -0.8022 1674962 IFLab1_002442 O=C(Nc1c2CS(=O)Cc2nn1c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O23 mock treatment 0.245 0.00162 0.08 0.246 2.9E-4 0.02 0.068 0.8312 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 O24 mock treatment 0.237 -0.00638 -0.31 0.247 0.00129 0.07 -0.1726 -0.5349 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P01 compound treatment 0.232 -0.0114 -0.56 0.235 -0.0107 -0.59 -0.8124 -0.9998 2066762 IFLab1_002443 CCCSc1nc2n(ncc2c(=O)[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P02 compound treatment 0.244 6.25E-4 0.03 0.243 -0.00271 -0.15 -0.0832 -0.5485 1652304 IFLab1_002444 CCCSc1nc2c3ccccc3[nH]c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P03 compound treatment 0.249 0.00562 0.28 0.248 0.00229 0.13 0.2852 0.9356 2066763 IFLab1_002445 Cc1ccc(cc1)n2ncc3c(=O)[nH]c(SCC(=O)c4ccccc4)nc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P04 compound treatment 0.248 0.00462 0.23 0.243 -0.00271 -0.15 0.0564 0.2071 2066764 IFLab1_002446 COc1ccc(CC(=O)NCCSc2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P05 compound treatment 0.244 6.25E-4 0.03 0.247 0.00129 0.07 0.0719 0.9309 1227813 IFLab1_002447 CCOC(=O)N1CCN(CC1)C(=O)CSc2c([nH]c3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P06 compound treatment 0.249 0.00562 0.28 0.242 -0.00371 -0.2 0.0526 0.1527 2066765 IFLab1_002448 CCOc1ccc(cc1)C(=O)NCCSc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P07 compound treatment 0.246 0.00262 0.13 0.248 0.00229 0.13 0.1805 0.9999 1579426 IFLab1_002449 CCCNc1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P08 compound treatment 0.248 0.00462 0.23 0.25 0.00429 0.24 0.3278 0.9999 2066766 IFLab1_002450 O=C(NCCSc1c[nH]c2ccccc12)c3ccc(cc3)N4C(=O)CCC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P09 compound treatment 0.24 -0.00338 -0.17 0.24 -0.00571 -0.31 -0.3392 -0.9565 1427094 IFLab1_002451 C(CC1=CCCCC1)Nc2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P10 compound treatment 0.245 0.00162 0.08 0.248 0.00229 0.13 0.1455 0.9766 2066767 IFLab1_002452 CCC(=O)NCCSc1c(C)[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P11 compound treatment 0.243 -3.75E-4 -0.02 0.247 0.00129 0.07 0.0369 0.505 1378306 IFLab1_002453 CN(C1CCCCC1)c2ncnc3[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P12 compound treatment 0.248 0.00462 0.23 0.24 -0.00571 -0.31 -0.0599 -0.1545 2066768 IFLab1_002454 Cn1c(CNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P13 compound treatment 0.242 -0.00138 -0.07 0.25 0.00429 0.24 0.1183 0.4833 1589607 IFLab1_002455 CC1Cc2ccccc2N1c3ncnc4[nH]cnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P14 compound treatment 0.246 0.00262 0.13 0.247 0.00129 0.07 0.1417 0.9594 2066769 IFLab1_002456 CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P15 compound treatment 0.252 0.00862 0.43 0.251 0.00529 0.29 0.5063 0.9825 2066770 IFLab1_002457 CCN(CCCNc1ncnc2[nH]cnc12)c3cccc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P16 compound treatment 0.251 0.00762 0.38 0.243 -0.00271 -0.15 0.1612 0.3982 2066771 IFLab1_002458 CCCCn1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P17 compound treatment 0.251 0.00762 0.38 0.255 0.00929 0.51 0.6264 0.9889 2066772 IFLab1_002459 O=C(CSc1nc2CCSc2c(=O)n1c3ccccc3)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P18 compound treatment 0.249 0.00562 0.28 0.241 -0.00471 -0.26 0.0138 0.0364 2066773 IFLab1_002460 CCC(=O)NCc1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P19 compound treatment 0.252 0.00862 0.43 0.252 0.00629 0.34 0.545 0.9945 2066774 IFLab1_002461 CCC(Sc1nc2CCSc2c(=O)n1c3ccccc3)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P20 compound treatment 0.251 0.00762 0.38 0.246 2.9E-4 0.02 0.2775 0.7363 1986829 IFLab1_002462 CC(=O)NCc1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P21 compound treatment 0.247 0.00362 0.18 0.247 0.00129 0.07 0.1766 0.9175 2066775 IFLab1_002463 CCOc1ccc(cc1)n2c(SC(C)CC)nc3CCSc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P22 compound treatment 0.243 -3.75E-4 -0.02 0.244 -0.00171 -0.09 -0.0794 -0.8307 2066776 IFLab1_002464 CC(C)(C)C(=O)NCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P23 mock treatment 0.249 0.00562 0.28 0.246 2.9E-4 0.02 0.2077 0.7464 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1418 P24 mock treatment 0.237 -0.00638 -0.31 0.251 0.00529 0.29 -0.0175 -0.0409 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A01 compound treatment 0.204 -0.0442 -2.18 0.219 -0.0257 -1.41 -2.5391 -0.9776 2066777 IFLab1_002465 COCC(=O)NCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A02 compound treatment 0.239 -0.00919 -0.45 0.247 0.00231 0.13 -0.2314 -0.4908 2066778 IFLab1_002466 CCCn1c(CCCNC(=O)CC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A03 compound treatment 0.246 -0.00219 -0.11 0.244 -6.88E-4 -0.04 -0.1032 -0.9002 2066779 IFLab1_002467 CCn1c(nc2ccccc12)C(C)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A04 compound treatment 0.242 -0.00619 -0.31 0.24 -0.00469 -0.26 -0.398 -0.9963 2066780 IFLab1_002468 CCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A05 compound treatment 0.235 -0.0132 -0.65 0.237 -0.00769 -0.42 -0.7587 -0.9778 2066781 IFLab1_002469 CCCCn1c(nc2ccccc12)C(C)NC(=O)CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A06 compound treatment 0.244 -0.00419 -0.21 0.234 -0.0107 -0.59 -0.5608 -0.9023 2066782 IFLab1_002470 C=CCn1c(CCCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A07 compound treatment 0.238 -0.0102 -0.5 0.238 -0.00669 -0.37 -0.6152 -0.9879 2066783 IFLab1_002471 CC(NC(=O)C)c1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A08 compound treatment 0.244 -0.00419 -0.21 0.245 3.12E-4 0.02 -0.1343 -0.6464 2066784 IFLab1_002472 CC(=O)NC(c1nc2ccccc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A09 compound treatment 0.241 -0.00719 -0.36 0.243 -0.00169 -0.09 -0.3166 -0.8625 2066785 IFLab1_002473 COCC(=O)NC(C)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A10 compound treatment 0.24 -0.00819 -0.4 0.242 -0.00269 -0.15 -0.3903 -0.9064 2066786 IFLab1_002474 O=C(CSc1oc(nc1S(=O)(=O)c2ccccc2)c3cccs3)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A11 compound treatment 0.24 -0.00819 -0.4 0.239 -0.00569 -0.31 -0.5066 -0.9917 2066787 IFLab1_002475 Cn1c(CCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A12 compound treatment 0.304 0.0558 2.76 0.295 0.0503 2.76 3.8993 1.0 2066788 IFLab1_002476 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A13 compound treatment 0.248 -1.94E-4 -0.01 0.236 -0.00869 -0.48 -0.3436 -0.7211 2066789 IFLab1_002477 CCC(=O)NCCc1nc2ccccc2n1C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A14 compound treatment 0.232 -0.0162 -0.8 0.236 -0.00869 -0.48 -0.9023 -0.9694 2066790 IFLab1_002478 COc1ccc(cc1)c2nc3ccccn3c2NC(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A15 compound treatment 0.234 -0.0142 -0.7 0.236 -0.00869 -0.48 -0.8324 -0.9823 2066791 IFLab1_002479 Cc1ccccc1Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A16 compound treatment 0.247 -0.00119 -0.06 0.248 0.00331 0.18 0.0868 0.4543 2066792 IFLab1_002480 Cc1ccn2c(NC(=O)C3CC3)c(nc2c1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A17 compound treatment 0.237 -0.0112 -0.55 0.236 -0.00869 -0.48 -0.7277 -0.9973 2066793 IFLab1_002481 CC(C)(C)C(=O)NCCc1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A18 compound treatment 0.236 -0.0122 -0.6 0.234 -0.0107 -0.59 -0.8401 -0.9999 2066794 IFLab1_002482 Clc1ccc(CS(=O)(=O)c2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A19 compound treatment 0.233 -0.0152 -0.75 0.23 -0.0147 -0.81 -1.1 -0.9994 2066795 IFLab1_002483 COCC(=O)NCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A20 compound treatment 0.231 -0.0172 -0.85 0.224 -0.0207 -1.13 -1.4024 -0.9898 2066796 IFLab1_002484 CCCn1cc(c2ccccc12)S(=O)(=O)CC(=O)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A21 compound treatment 0.224 -0.0242 -1.19 0.227 -0.0177 -0.97 -1.5305 -0.9946 2066797 IFLab1_002485 CCC(=O)NCCCc1nc2ccccc2n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A22 compound treatment 0.244 -0.00419 -0.21 0.237 -0.00769 -0.42 -0.4445 -0.9465 2066798 IFLab1_002486 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc4nccs4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A23 mock treatment 0.235 -0.0132 -0.65 0.239 -0.00569 -0.31 -0.6812 -0.9431 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 A24 mock treatment 0.199 -0.0492 -2.43 0.212 -0.0327 -1.79 -2.985 -0.9888 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B01 compound treatment 0.238 -0.0102 -0.5 0.248 0.00331 0.18 -0.2275 -0.4251 2066799 IFLab1_002487 Cc1ccc(cc1)c2nnc(SCC(=O)NC3CCCCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B02 compound treatment 0.247 -0.00119 -0.06 0.245 3.12E-4 0.02 -0.0296 -0.4816 2066800 IFLab1_002488 COc1ccc(CNCc2cn3c(nnc3s2)c4ccc(Br)cc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B03 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2066801 IFLab1_002489 O=C(CSc1nnc(Cc2ccccc2)o1)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B04 compound treatment 0.254 0.00581 0.29 0.25 0.00531 0.29 0.4087 1.0 2066802 IFLab1_002490 CCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B05 compound treatment 0.252 0.00381 0.19 0.251 0.00631 0.35 0.3777 0.9588 2066803 IFLab1_002491 O=C(CSc1ncnc2c3ccccc3oc12)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B06 compound treatment 0.248 -1.94E-4 -0.01 0.251 0.00631 0.35 0.238 0.6873 2066804 IFLab1_002492 Cc1ccc2cc(CCNC(=O)C3CC3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B07 compound treatment 0.25 0.00181 0.09 0.247 0.00231 0.13 0.1527 0.9852 1987303 IFLab1_002493 O=C(CSc1ncnc2c3ccccc3oc12)NCCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B08 compound treatment 0.26 0.0118 0.58 0.258 0.0133 0.73 0.9284 0.9938 2066805 IFLab1_002494 CC(C)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B09 compound treatment 0.245 -0.00319 -0.16 0.241 -0.00369 -0.2 -0.2545 -0.9924 2066806 IFLab1_002495 COC(=O)C(C)Sc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B10 compound treatment 0.252 0.00381 0.19 0.254 0.00931 0.51 0.494 0.9079 2066807 IFLab1_002496 COc1ccc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B11 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2066808 IFLab1_002497 CCSc1nnc(NC(=O)CSc2nccn2c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B12 compound treatment 0.253 0.00481 0.24 0.256 0.0113 0.62 0.6064 0.9131 2066809 IFLab1_002498 COc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B13 compound treatment 0.261 0.0128 0.63 0.251 0.00631 0.35 0.6919 0.9598 2066810 IFLab1_002499 O=C(CSc1nccn1c2ccccc2)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B14 compound treatment 0.254 0.00581 0.29 0.254 0.00931 0.51 0.5638 0.9628 2066811 IFLab1_002500 COc1ccc(cc1OC)C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B15 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2066812 IFLab1_002501 Cc1cc(C)cc(c1)n2ccnc2SCC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B16 compound treatment 0.258 0.00981 0.48 0.259 0.0143 0.78 0.8973 0.9731 2066813 IFLab1_002502 Cc1ccc2cc(CCNC(=O)c3cc4ccccc4oc3=O)c(=O)[nH]c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B17 compound treatment 0.262 0.0138 0.68 0.26 0.0153 0.84 1.0758 0.9947 2066814 IFLab1_002503 CCOc1ccc(cc1)n2ccnc2SCC(=O)Nc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B18 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2066815 IFLab1_002504 O=C(Cc1ccccc1)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B19 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2066816 IFLab1_002505 Cc1ccc(NC(=O)CSc2nccn2c3ccc(Cl)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B20 compound treatment 0.251 0.00281 0.14 0.253 0.00831 0.46 0.4203 0.8822 2066817 IFLab1_002506 O=C(NCCn1ccc2ccccc12)/C=C/c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B21 compound treatment 0.256 0.00781 0.39 0.254 0.00931 0.51 0.6336 0.9904 2066818 IFLab1_002507 CC(=O)Nc1ccc2n(C)c(=NC(=O)c3ccc(Br)s3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B22 compound treatment 0.251 0.00281 0.14 0.243 -0.00169 -0.09 0.0326 0.1955 2066819 IFLab1_002508 O=C(NCCn1ccc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B23 mock treatment 0.251 0.00281 0.14 0.249 0.00431 0.24 0.2652 0.9676 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 B24 mock treatment 0.241 -0.00719 -0.36 0.243 -0.00169 -0.09 -0.3166 -0.8625 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C01 compound treatment 0.228 -0.0202 -1.0 0.232 -0.0127 -0.7 -1.197 -0.9845 2066820 IFLab1_002509 O=C(Cc1ccccc1)NCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C02 compound treatment 0.241 -0.00719 -0.36 0.235 -0.00969 -0.53 -0.6268 -0.9809 2066821 IFLab1_002510 CCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C03 compound treatment 0.235 -0.0132 -0.65 0.237 -0.00769 -0.42 -0.7587 -0.9778 2066822 IFLab1_002511 CCC(=O)NC(C)c1nc2ccccc2n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C04 compound treatment 0.249 8.06E-4 0.04 0.244 -6.88E-4 -0.04 0.0015 0.0274 2066823 IFLab1_002512 CCCCn1c(CCCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C05 compound treatment 0.239 -0.00919 -0.45 0.233 -0.0117 -0.64 -0.7741 -0.9857 2066824 IFLab1_002513 CCCCn1c(nc2ccccc12)C(C)NC(=O)c3ccc(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C06 compound treatment 0.24 -0.00819 -0.4 0.237 -0.00769 -0.42 -0.5841 -0.9998 2066825 IFLab1_002514 CCC(=O)NCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C07 compound treatment 0.239 -0.00919 -0.45 0.237 -0.00769 -0.42 -0.6191 -0.9993 2066826 IFLab1_002515 CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C08 compound treatment 0.266 0.0178 0.88 0.262 0.0173 0.95 1.293 0.9993 2066827 IFLab1_002516 Cn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C09 compound treatment 0.243 -0.00519 -0.26 0.239 -0.00569 -0.31 -0.4019 -0.9953 1586768 IFLab1_002517 CC(NC(=O)c1ccccc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C10 compound treatment 0.275 0.0268 1.32 0.266 0.0213 1.17 1.7623 0.9981 2066828 IFLab1_002518 CSc1oc(nc1S(=O)(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C11 compound treatment 0.241 -0.00719 -0.36 0.239 -0.00569 -0.31 -0.4717 -0.9979 2066829 IFLab1_002519 COc1ccc(cc1OC)C(=O)NCCc2nc3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C12 compound treatment 0.252 0.00381 0.19 0.244 -6.88E-4 -0.04 0.1063 0.5543 2066830 IFLab1_002520 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C13 compound treatment 0.242 -0.00619 -0.31 0.238 -0.00669 -0.37 -0.4755 -0.9959 2066831 IFLab1_002521 CC(C)n1c(CCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C14 compound treatment 0.238 -0.0102 -0.5 0.238 -0.00669 -0.37 -0.6152 -0.9879 2066832 IFLab1_002522 CCCCC(=O)Nc1c(nc2ccccn12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C15 compound treatment 0.24 -0.00819 -0.4 0.24 -0.00469 -0.26 -0.4678 -0.976 2066833 IFLab1_002523 COCC(=O)NCCc1nc2ccccc2n1Cc3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C16 compound treatment 0.245 -0.00319 -0.16 0.247 0.00231 0.13 -0.0219 -0.108 2066834 IFLab1_002524 O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C17 compound treatment 0.249 8.06E-4 0.04 0.251 0.00631 0.35 0.2729 0.7833 2066835 IFLab1_002525 C=CCn1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C18 compound treatment 0.24 -0.00819 -0.4 0.24 -0.00469 -0.26 -0.4678 -0.976 2066836 IFLab1_002526 FC(F)(F)c1ccc(CS(=O)(=O)c2c[nH]c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C19 compound treatment 0.239 -0.00919 -0.45 0.238 -0.00669 -0.37 -0.5803 -0.9944 2066837 IFLab1_002527 CCC(=O)NCCCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C20 compound treatment 0.238 -0.0102 -0.5 0.238 -0.00669 -0.37 -0.6152 -0.9879 2066838 IFLab1_002528 CCCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C21 compound treatment 0.242 -0.00619 -0.31 0.244 -6.88E-4 -0.04 -0.2429 -0.7883 2066839 IFLab1_002529 CCn1c(CCCNC(=O)c2cccc(C)c2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C22 compound treatment 0.241 -0.00719 -0.36 0.24 -0.00469 -0.26 -0.4329 -0.9874 2066840 IFLab1_002530 Clc1ccccc1Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C23 mock treatment 0.235 -0.0132 -0.65 0.237 -0.00769 -0.42 -0.7587 -0.9778 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 C24 mock treatment 0.232 -0.0162 -0.8 0.232 -0.0127 -0.7 -1.0573 -0.9976 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D01 compound treatment 0.244 -0.00419 -0.21 0.25 0.00531 0.29 0.0595 0.1666 2066841 IFLab1_002531 COc1ccccc1c2nnc(SCC(=O)NC3CCCCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D02 compound treatment 0.252 0.00381 0.19 0.248 0.00331 0.18 0.2613 0.9999 2066842 IFLab1_002532 C(NCc1ccccc1)c2cn3c(nnc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D03 compound treatment 0.251 0.00281 0.14 0.251 0.00631 0.35 0.3427 0.9193 2066843 IFLab1_002533 O=C(CSc1nnc(Cc2ccccc2)o1)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D04 compound treatment 0.247 -0.00119 -0.06 0.253 0.00831 0.46 0.2806 0.6106 2066844 IFLab1_002534 Cc1cc2cc(CCNC(=O)CC3CCCCC3)c(=O)[nH]c2cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D05 compound treatment 0.249 8.06E-4 0.04 0.247 0.00231 0.13 0.1178 0.8865 2066845 IFLab1_002535 O=C(CSc1ncnc2c3ccccc3oc12)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D06 compound treatment 0.253 0.00481 0.24 0.245 3.12E-4 0.02 0.1799 0.7562 2066846 IFLab1_002536 Cc1ccc2cc(CCNC(=O)Cc3cccs3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D07 compound treatment 0.27 0.0218 1.08 0.252 0.00731 0.4 1.0449 0.9094 2066847 IFLab1_002537 COc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D08 compound treatment 0.255 0.00681 0.34 0.256 0.0113 0.62 0.6763 0.9586 2066848 IFLab1_002538 Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D09 compound treatment 0.244 -0.00419 -0.21 0.24 -0.00469 -0.26 -0.3282 -0.9943 2066849 IFLab1_002539 O=C(CSc1ncnc2c3ccccc3oc12)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D10 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2066850 IFLab1_002540 COc1ccc2cc(CCNC(=O)C3CC3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D11 compound treatment 0.251 0.00281 0.14 0.245 3.12E-4 0.02 0.1101 0.7885 2066851 IFLab1_002541 O=C(CSc1nccn1c2ccccc2)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D12 compound treatment 0.245 -0.00319 -0.16 0.252 0.00731 0.4 0.172 0.3992 2066852 IFLab1_002542 CCC(C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D13 compound treatment 0.253 0.00481 0.24 0.245 3.12E-4 0.02 0.1799 0.7562 2066853 IFLab1_002543 Cc1cc(NC(=O)CSc2nccn2c3ccccc3)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D14 compound treatment 0.255 0.00681 0.34 0.27 0.0253 1.39 1.219 0.8537 2066854 IFLab1_002544 Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc4OCOc4c3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D15 compound treatment 0.246 -0.00219 -0.11 0.245 3.12E-4 0.02 -0.0645 -0.5879 2066855 IFLab1_002545 COc1cccc(c1)n2ccnc2SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D16 compound treatment 0.256 0.00781 0.39 0.255 0.0103 0.57 0.6724 0.9826 2066856 IFLab1_002546 CCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D17 compound treatment 0.253 0.00481 0.24 0.257 0.0123 0.68 0.6452 0.9016 2066857 IFLab1_002547 CCOc1ccc(cc1)n2ccnc2SCC(=O)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D18 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2066858 IFLab1_002548 COc1cc(cc(OC)c1OC)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D19 compound treatment 0.243 -0.00519 -0.26 0.25 0.00531 0.29 0.0246 0.0634 2066859 IFLab1_002549 Clc1ccc(cc1)n2ccnc2SCC(=O)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D20 compound treatment 0.246 -0.00219 -0.11 0.246 0.00131 0.07 -0.0257 -0.1977 2066860 IFLab1_002550 O=C(NCCn1ccc2ccccc12)C3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D21 compound treatment 0.246 -0.00219 -0.11 0.25 0.00531 0.29 0.1294 0.4163 2066861 IFLab1_002551 CC(=O)Nc1ccc2n(C)c(=NC(=O)c3ccc4ncsc4c3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D22 compound treatment 0.249 8.06E-4 0.04 0.244 -6.88E-4 -0.04 0.0015 0.0274 2066862 IFLab1_002552 CC(C)C(=O)NCCn1ccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D23 mock treatment 0.247 -0.00119 -0.06 0.247 0.00231 0.13 0.048 0.3432 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 D24 mock treatment 0.241 -0.00719 -0.36 0.244 -6.88E-4 -0.04 -0.2778 -0.7778 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E01 compound treatment 0.242 -0.00619 -0.31 0.239 -0.00569 -0.31 -0.4368 -1.0 2066863 IFLab1_002553 O=C(NCc1nc2ccccc2[nH]1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E02 compound treatment 0.254 0.00581 0.29 0.251 0.00631 0.35 0.4475 0.9956 2066864 IFLab1_002554 CCCn1c(CCCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E03 compound treatment 0.251 0.00281 0.14 0.247 0.00231 0.13 0.1877 0.999 2066865 IFLab1_002555 CCn1c(nc2ccccc12)C(C)NC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E04 compound treatment 0.253 0.00481 0.24 0.251 0.00631 0.35 0.4126 0.9831 2066866 IFLab1_002556 CC(=O)NCCCc1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E05 compound treatment 0.247 -0.00119 -0.06 0.249 0.00431 0.24 0.1255 0.5151 2066867 IFLab1_002557 CC(NC(=O)C)c1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E06 compound treatment 0.252 0.00381 0.19 0.247 0.00231 0.13 0.2226 0.9816 1986706 IFLab1_002558 CC(C)(C)C(=O)NCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E07 compound treatment 0.252 0.00381 0.19 0.252 0.00731 0.4 0.4164 0.9404 2066868 IFLab1_002559 CC(NC(=O)c1ccccc1)c2nc3ccccc3n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E08 compound treatment 0.263 0.0148 0.73 0.253 0.00831 0.46 0.8393 0.9741 2066869 IFLab1_002560 Cn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E09 compound treatment 0.253 0.00481 0.24 0.249 0.00431 0.24 0.335 1.0 2066870 IFLab1_002561 COc1ccc(cc1OC)C(=O)NC(C)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E10 compound treatment 0.263 0.0148 0.73 0.268 0.0233 1.28 1.4208 0.9649 2066871 IFLab1_002562 CCSc1oc(nc1S(=O)(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E11 compound treatment 0.245 -0.00319 -0.16 0.251 0.00631 0.35 0.1332 0.3503 2066872 IFLab1_002563 CCn1c(CCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E12 compound treatment 0.273 0.0248 1.22 0.268 0.0233 1.28 1.77 0.9998 2066873 IFLab1_002564 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Cc3ccc(OCC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E13 compound treatment 0.251 0.00281 0.14 0.248 0.00331 0.18 0.2264 0.9911 2066874 IFLab1_002565 CC(C)n1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E14 compound treatment 0.253 0.00481 0.24 0.254 0.00931 0.51 0.5289 0.9393 2066875 IFLab1_002566 O=C(COc1ccccc1)Nc2c(nc3ccccn23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E15 compound treatment 0.256 0.00781 0.39 0.253 0.00831 0.46 0.5949 0.9965 2066876 IFLab1_002567 COCC(=O)NCCc1nc2ccccc2n1Cc3cc(C)ccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E16 compound treatment 0.236 -0.0122 -0.6 0.241 -0.00369 -0.2 -0.5687 -0.8954 2066877 IFLab1_002568 O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E17 compound treatment 0.26 0.0118 0.58 0.26 0.0153 0.84 1.0059 0.9841 2066878 IFLab1_002569 C=CCn1c(CCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E18 compound treatment 0.255 0.00681 0.34 0.259 0.0143 0.78 0.7926 0.9284 2066879 IFLab1_002570 Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E19 compound treatment 0.246 -0.00219 -0.11 0.252 0.00731 0.4 0.2069 0.4982 2066880 IFLab1_002571 Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E20 compound treatment 0.292 0.0438 2.16 0.277 0.0323 1.77 2.7824 0.9951 2066881 IFLab1_002572 CCCn1cc(c2ccccc12)S(=O)(=O)CC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E21 compound treatment 0.255 0.00681 0.34 0.255 0.0103 0.57 0.6375 0.9691 2066882 IFLab1_002573 CCn1c(CCCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E22 compound treatment 0.253 0.00481 0.24 0.25 0.00531 0.29 0.3738 0.9948 2066883 IFLab1_002574 CCC1CCCCN1C(=O)CSc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E23 mock treatment 0.242 -0.00619 -0.31 0.249 0.00431 0.24 -0.0491 -0.1269 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 E24 mock treatment 0.241 -0.00719 -0.36 0.243 -0.00169 -0.09 -0.3166 -0.8625 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F01 compound treatment 0.246 -0.00219 -0.11 0.248 0.00331 0.18 0.0518 0.2451 2066884 IFLab1_002575 O=C(CSc1nnc(o1)c2cccs2)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F02 compound treatment 0.248 -1.94E-4 -0.01 0.247 0.00231 0.13 0.0829 0.652 2066885 IFLab1_002576 CC(C)C(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F03 compound treatment 0.254 0.00581 0.29 0.254 0.00931 0.51 0.5638 0.9628 2066886 IFLab1_002577 O=C(CSc1nnc(Cc2ccccc2)o1)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F04 compound treatment 0.254 0.00581 0.29 0.256 0.0113 0.62 0.6413 0.9386 2066887 IFLab1_002578 COc1ccc(CC(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F05 compound treatment 0.239 -0.00919 -0.45 0.241 -0.00369 -0.2 -0.464 -0.9336 2066888 IFLab1_002579 COc1ccc(NC(=O)CSc2ncnc3c4ccccc4oc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F06 compound treatment 0.261 0.0128 0.63 0.257 0.0123 0.68 0.9245 0.9995 2066889 IFLab1_002580 Cc1ccc2cc(CCNC(=O)/C=C\c3ccc4OCOc4c3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F07 compound treatment 0.251 0.00281 0.14 0.247 0.00231 0.13 0.1877 0.999 2066890 IFLab1_002581 CSc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F08 compound treatment 0.266 0.0178 0.88 0.258 0.0133 0.73 1.1379 0.9957 2066891 IFLab1_002582 COc1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F09 compound treatment 0.251 0.00281 0.14 0.257 0.0123 0.68 0.5754 0.8349 2066892 IFLab1_002583 NC(=O)CSC1=NN2CCCC(=O)N=C2S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F10 compound treatment 0.327 0.0788 3.89 0.261 0.0163 0.89 3.3842 0.8475 2066893 IFLab1_002584 COc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F11 compound treatment 0.258 0.00981 0.48 0.255 0.0103 0.57 0.7422 0.997 2066894 IFLab1_002585 CCOC(=O)c1ccc(NC(=O)CSc2nccn2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F12 compound treatment 0.257 0.00881 0.43 0.257 0.0123 0.68 0.7849 0.9774 2066895 IFLab1_002586 COc1ccc2cc(CCNC(=O)C(C)Oc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F13 compound treatment 0.254 0.00581 0.29 0.251 0.00631 0.35 0.4475 0.9956 2066896 IFLab1_002587 CCc1ccc(NC(=O)CSc2nccn2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F14 compound treatment 0.252 0.00381 0.19 0.26 0.0153 0.84 0.7266 0.8445 2066897 IFLab1_002588 CC(Oc1ccccc1)C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F15 compound treatment 0.257 0.00881 0.43 0.258 0.0133 0.73 0.8236 0.9694 2066898 IFLab1_002589 COc1cccc(c1)n2ccnc2SCC(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F16 compound treatment 0.256 0.00781 0.39 0.259 0.0143 0.78 0.8275 0.9464 2066899 IFLab1_002590 Cc1ccc2cc(CCNS(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F17 compound treatment 0.262 0.0138 0.68 0.264 0.0193 1.06 1.2308 0.9773 2066900 IFLab1_002591 COc1ccc(NC(=O)CSc2nccn2c3ccc(F)cc3)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F18 compound treatment 0.254 0.00581 0.29 0.263 0.0183 1.0 0.9127 0.8741 2066901 IFLab1_002592 Clc1ccc(OCC(=O)NCCn2ccc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F19 compound treatment 0.269 0.0208 1.03 0.265 0.0203 1.11 1.514 0.9992 2066902 IFLab1_002593 COc1ccc(OC)c(NC(=O)CSc2nccn2c3ccc(Cl)cc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F20 compound treatment 0.25 0.00181 0.09 0.255 0.0103 0.57 0.4629 0.8087 2066903 IFLab1_002594 Fc1cccc(F)c1C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F21 compound treatment 0.293 0.0448 2.21 0.287 0.0423 2.32 3.205 0.9997 2066904 IFLab1_002595 Brc1cccc(c1)c2nnc3sc(CNCc4ccco4)cn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F22 compound treatment 0.248 -1.94E-4 -0.01 0.25 0.00531 0.29 0.1992 0.6835 2066905 IFLab1_002596 COc1ccc(C(=O)NCCn2ccc3ccccc23)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F23 mock treatment 0.252 0.00381 0.19 0.25 0.00531 0.29 0.3389 0.9775 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 F24 mock treatment 0.25 0.00181 0.09 0.253 0.00831 0.46 0.3854 0.8298 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G01 compound treatment 0.242 -0.00619 -0.31 0.243 -0.00169 -0.09 -0.2817 -0.8816 2066906 IFLab1_002597 CC(NC(=O)C)c1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G02 compound treatment 0.252 0.00381 0.19 0.246 0.00131 0.07 0.1838 0.9132 2066907 IFLab1_002598 CC(C)n1c(CCCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G03 compound treatment 0.242 -0.00619 -0.31 0.247 0.00231 0.13 -0.1266 -0.3824 2066908 IFLab1_002599 CCn1c(nc2ccccc12)C(C)NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G04 compound treatment 0.254 0.00581 0.29 0.244 -6.88E-4 -0.04 0.1761 0.6089 2066909 IFLab1_002600 CCC(=O)NCCCc1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G05 compound treatment 0.24 -0.00819 -0.4 0.248 0.00331 0.18 -0.1577 -0.3555 2066910 IFLab1_002601 CCC(=O)NC(C)c1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G06 compound treatment 0.251 0.00281 0.14 0.255 0.0103 0.57 0.4978 0.8551 2066911 IFLab1_002602 O=C(NCCCc1nc2ccccc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G07 compound treatment 0.249 8.06E-4 0.04 0.244 -6.88E-4 -0.04 0.0015 0.0274 2066912 IFLab1_002603 CC(NC(=O)Cc1ccccc1)c2nc3ccccc3n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G08 compound treatment 0.257 0.00881 0.43 0.252 0.00731 0.4 0.591 0.9992 2066913 IFLab1_002604 CCn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G09 compound treatment 0.249 8.06E-4 0.04 0.251 0.00631 0.35 0.2729 0.7833 2066914 IFLab1_002605 CCC(=O)NCCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G10 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2066915 IFLab1_002606 CSc1oc(nc1S(=O)(=O)c2ccc(F)cc2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G11 compound treatment 0.241 -0.00719 -0.36 0.25 0.00531 0.29 -0.0452 -0.0984 2066916 IFLab1_002607 CCC(=O)NCCc1nc2ccccc2n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G12 compound treatment 0.302 0.0538 2.66 0.288 0.0433 2.37 3.5581 0.9984 2066917 IFLab1_002608 Fc1ccc(cc1)c2nc3ccccn3c2NC(=O)COc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G13 compound treatment 0.251 0.00281 0.14 0.249 0.00431 0.24 0.2652 0.9676 2066918 IFLab1_002609 CCCCn1c(CCNC(=O)CC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G14 compound treatment 0.27 0.0218 1.08 0.26 0.0153 0.84 1.3551 0.9924 2066919 IFLab1_002610 O=C(Nc1c(nc2ccccn12)c3cccs3)/C=C\c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G15 compound treatment 0.242 -0.00619 -0.31 0.25 0.00531 0.29 -0.0103 -0.0244 2066920 IFLab1_002611 CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G16 compound treatment 0.247 -0.00119 -0.06 0.245 3.12E-4 0.02 -0.0296 -0.4816 2066921 IFLab1_002612 O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G17 compound treatment 0.269 0.0208 1.03 0.272 0.0273 1.5 1.7854 0.9831 2066922 IFLab1_002613 COc1ccc(cc1OC)C(=O)NCCc2nc3ccccc3n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G18 compound treatment 0.263 0.0148 0.73 0.257 0.0123 0.68 0.9944 0.9992 2066923 IFLab1_002614 Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G19 compound treatment 0.245 -0.00319 -0.16 0.243 -0.00169 -0.09 -0.1769 -0.9677 2066924 IFLab1_002615 Cn1c(CCCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G20 compound treatment 0.304 0.0558 2.76 0.296 0.0513 2.81 3.9381 0.9999 2066925 IFLab1_002616 COc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c4ccccc24)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G21 compound treatment 0.256 0.00781 0.39 0.256 0.0113 0.62 0.7112 0.9738 2066926 IFLab1_002617 CCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G22 compound treatment 0.245 -0.00319 -0.16 0.247 0.00231 0.13 -0.0219 -0.108 2066927 IFLab1_002618 O=C(CSc1nnc(o1)c2ccccc2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G23 mock treatment 0.251 0.00281 0.14 0.25 0.00531 0.29 0.304 0.9423 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 G24 mock treatment 0.246 -0.00219 -0.11 0.241 -0.00369 -0.2 -0.2196 -0.9572 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H01 compound treatment 0.241 -0.00719 -0.36 0.243 -0.00169 -0.09 -0.3166 -0.8625 2066928 IFLab1_002619 O=C(CSc1nnc(o1)c2ccco2)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H02 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2066929 IFLab1_002620 Cc1nn(c(OC(=O)C2CC2)c1S(=O)(=O)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H03 compound treatment 0.245 -0.00319 -0.16 0.248 0.00331 0.18 0.0169 0.0703 2066930 IFLab1_002621 CC1CC(C)CN(C1)C(=O)CSc2nnc(Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H04 compound treatment 0.256 0.00781 0.39 0.255 0.0103 0.57 0.6724 0.9826 2066931 IFLab1_002622 CCCC(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H05 compound treatment 0.244 -0.00419 -0.21 0.248 0.00331 0.18 -0.018 -0.0654 2066932 IFLab1_002623 Cc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H06 compound treatment 0.243 -0.00519 -0.26 0.242 -0.00269 -0.15 -0.2855 -0.9654 2066933 IFLab1_002624 Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H07 compound treatment 0.238 -0.0102 -0.5 0.289 0.0443 2.43 1.3621 0.549 2066934 IFLab1_002625 CCSc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H08 compound treatment 0.285 0.0368 1.82 0.294 0.0493 2.7 3.1971 0.9813 2066935 IFLab1_002626 Cc1ccc2cc(CCNC(=O)CCC3CCCC3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H09 compound treatment 0.25 0.00181 0.09 0.247 0.00231 0.13 0.1527 0.9852 2066936 IFLab1_002627 O=C(CSC1=NN2CCCC(=O)N=C2S1)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H10 compound treatment 0.261 0.0128 0.63 0.257 0.0123 0.68 0.9245 0.9995 2066937 IFLab1_002628 COc1ccc2cc(CCNC(=O)c3cccc(c3)C(F)(F)F)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H11 compound treatment 0.24 -0.00819 -0.4 0.247 0.00231 0.13 -0.1964 -0.4633 2066938 IFLab1_002629 Cc1cccc(NC(=O)CSc2nccn2c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H12 compound treatment 0.281 0.0328 1.62 0.273 0.0283 1.55 2.2432 0.9998 2066939 IFLab1_002630 COc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H13 compound treatment 0.251 0.00281 0.14 0.251 0.00631 0.35 0.3427 0.9193 2066940 IFLab1_002631 O=C(CSc1nccn1c2ccccc2)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H14 compound treatment 0.254 0.00581 0.29 0.261 0.0163 0.89 0.8352 0.8892 2066941 IFLab1_002632 COc1cc(OC)cc(c1)C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H15 compound treatment 0.247 -0.00119 -0.06 0.248 0.00331 0.18 0.0868 0.4543 2066942 IFLab1_002633 COc1cccc(c1)n2ccnc2SCC(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H16 compound treatment 0.253 0.00481 0.24 0.259 0.0143 0.78 0.7227 0.8815 2066943 IFLab1_002634 COc1ccc2cc(CCNS(=O)(=O)C)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H17 compound treatment 0.255 0.00681 0.34 0.259 0.0143 0.78 0.7926 0.9284 2066944 IFLab1_002635 Fc1ccc(cc1)n2ccnc2SCC(=O)Nc3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H18 compound treatment 0.246 -0.00219 -0.11 0.244 -6.88E-4 -0.04 -0.1032 -0.9002 2066945 IFLab1_002636 CCOc1ccccc1C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H19 compound treatment 0.249 8.06E-4 0.04 0.243 -0.00169 -0.09 -0.0373 -0.3699 2066946 IFLab1_002637 Clc1ccc(cc1)n2ccnc2SCC(=O)NC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H20 compound treatment 0.254 0.00581 0.29 0.254 0.00931 0.51 0.5638 0.9628 2066947 IFLab1_002638 Clc1ccc(C(=O)NCCn2ccc3ccccc23)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H21 compound treatment 0.248 -1.94E-4 -0.01 0.248 0.00331 0.18 0.1217 0.669 2066948 IFLab1_002639 CC1CCCCN1Cc2cn3c(nnc3s2)c4ccc(Br)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H22 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2066949 IFLab1_002640 O=C(NCCn1ccc2ccccc12)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H23 mock treatment 0.247 -0.00119 -0.06 0.251 0.00631 0.35 0.2031 0.5784 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 H24 mock treatment 0.251 0.00281 0.14 0.245 3.12E-4 0.02 0.1101 0.7885 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I01 compound treatment 0.242 -0.00619 -0.31 0.246 0.00131 0.07 -0.1654 -0.5264 2066950 IFLab1_002641 CCC(=O)NC(C)c1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I02 compound treatment 0.25 0.00181 0.09 0.253 0.00831 0.46 0.3854 0.8298 2066951 IFLab1_002642 CCC(=O)NCCCc1nc2ccccc2n1C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I03 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2066952 IFLab1_002643 CCCn1c(nc2ccccc12)C(C)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I04 compound treatment 0.249 8.06E-4 0.04 0.247 0.00231 0.13 0.1178 0.8865 2066953 IFLab1_002644 CC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I05 compound treatment 0.247 -0.00119 -0.06 0.25 0.00531 0.29 0.1643 0.5528 2066954 IFLab1_002645 CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I06 compound treatment 0.248 -1.94E-4 -0.01 0.256 0.0113 0.62 0.4318 0.6961 2066955 IFLab1_002646 Cc1cccc(c1)C(=O)NCCCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I07 compound treatment 0.25 0.00181 0.09 0.254 0.00931 0.51 0.4241 0.8182 2066956 IFLab1_002647 COCC(=O)NC(C)c1nc2ccccc2n1CC(=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I08 compound treatment 0.258 0.00981 0.48 0.254 0.00931 0.51 0.7035 0.9996 2066957 IFLab1_002648 CCn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)COC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I09 compound treatment 0.252 0.00381 0.19 0.249 0.00431 0.24 0.3001 0.9935 2066958 IFLab1_002649 CCCC(=O)NCCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I10 compound treatment 0.297 0.0488 2.41 0.284 0.0393 2.16 3.2284 0.9984 2066959 IFLab1_002650 CCCCC(=O)Nc1c([nH]c2ccccc12)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I11 compound treatment 0.246 -0.00219 -0.11 0.254 0.00931 0.51 0.2845 0.545 2066960 IFLab1_002651 CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I12 compound treatment 0.25 0.00181 0.09 0.246 0.00131 0.07 0.114 0.9943 2066961 IFLab1_002652 CC(C)CC(=O)Nc1c(nc2ccccn12)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I13 compound treatment 0.251 0.00281 0.14 0.259 0.0143 0.78 0.6529 0.8193 2066962 IFLab1_002653 CCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I14 compound treatment 0.261 0.0128 0.63 0.264 0.0193 1.06 1.1959 0.9696 2066963 IFLab1_002654 Fc1cccc(F)c1C(=O)Nc2c(nc3ccccn23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I15 compound treatment 0.246 -0.00219 -0.11 0.25 0.00531 0.29 0.1294 0.4163 2066964 IFLab1_002655 CC(C)Cn1c(CCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I16 compound treatment 0.245 -0.00319 -0.16 0.248 0.00331 0.18 0.0169 0.0703 2066965 IFLab1_002656 Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I17 compound treatment 0.262 0.0138 0.68 0.253 0.00831 0.46 0.8044 0.9808 2066966 IFLab1_002657 CCCC(=O)NCCc1nc2ccccc2n1CC(=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I18 compound treatment 0.249 8.06E-4 0.04 0.257 0.0123 0.68 0.5055 0.7475 2066967 IFLab1_002658 Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I19 compound treatment 0.245 -0.00319 -0.16 0.25 0.00531 0.29 0.0945 0.2852 2066968 IFLab1_002659 Cn1c(CCCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I20 compound treatment 0.257 0.00881 0.43 0.25 0.00531 0.29 0.5135 0.981 2066969 IFLab1_002660 Fc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N4CCCCC4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I21 compound treatment 0.257 0.00881 0.43 0.253 0.00831 0.46 0.6298 0.9997 2066970 IFLab1_002661 CCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I22 compound treatment 0.254 0.00581 0.29 0.255 0.0103 0.57 0.6026 0.9505 2066971 IFLab1_002662 O=C(CSc1nnc(o1)c2ccccc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I23 mock treatment 0.256 0.00781 0.39 0.253 0.00831 0.46 0.5949 0.9965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 I24 mock treatment 0.256 0.00781 0.39 0.25 0.00531 0.29 0.4786 0.9904 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J01 compound treatment 0.245 -0.00319 -0.16 0.246 0.00131 0.07 -0.0606 -0.3497 2066972 IFLab1_002663 CC1CCCN(C1)C(=O)CSc2nnc(o2)c3ccc(Cl)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J02 compound treatment 0.242 -0.00619 -0.31 0.249 0.00431 0.24 -0.0491 -0.1269 2066973 IFLab1_002664 CC(=O)Nc1nnc(o1)c2ccc3CCCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J03 compound treatment 0.25 0.00181 0.09 0.248 0.00331 0.18 0.1915 0.9464 2066974 IFLab1_002665 Clc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc34)o2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J04 compound treatment 0.248 -1.94E-4 -0.01 0.248 0.00331 0.18 0.1217 0.669 2066975 IFLab1_002666 COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CC3CCCCC3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J05 compound treatment 0.239 -0.00919 -0.45 0.242 -0.00269 -0.15 -0.4252 -0.8909 2066976 IFLab1_002667 O=C(CSc1ncnc2c3ccccc3oc12)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J06 compound treatment 0.25 0.00181 0.09 0.265 0.0203 1.11 0.8506 0.7613 2066977 IFLab1_002668 COc1ccc(Cl)cc1C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J07 compound treatment 0.239 -0.00919 -0.45 0.236 -0.00869 -0.48 -0.6578 -0.9997 2066978 IFLab1_002669 CCCSc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J08 compound treatment 0.253 0.00481 0.24 0.255 0.0103 0.57 0.5677 0.9257 2066979 IFLab1_002670 CCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J09 compound treatment 0.248 -1.94E-4 -0.01 0.246 0.00131 0.07 0.0441 0.6079 2066980 IFLab1_002671 O=C(CSC1=NN2CCCC(=O)N=C2S1)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J10 compound treatment 0.244 -0.00419 -0.21 0.25 0.00531 0.29 0.0595 0.1666 2066981 IFLab1_002672 COc1ccc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J11 compound treatment 0.241 -0.00719 -0.36 0.24 -0.00469 -0.26 -0.4329 -0.9874 2066982 IFLab1_002673 CCOc1ccc(NC(=O)CSc2nccn2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J12 compound treatment 0.245 -0.00319 -0.16 0.247 0.00231 0.13 -0.0219 -0.108 2066983 IFLab1_002674 COc1cccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J13 compound treatment 0.244 -0.00419 -0.21 0.254 0.00931 0.51 0.2146 0.3895 2066984 IFLab1_002675 COc1cccc(NC(=O)CSc2nccn2c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J14 compound treatment 0.245 -0.00319 -0.16 0.248 0.00331 0.18 0.0169 0.0703 2066985 IFLab1_002676 CCOc1ccccc1C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J15 compound treatment 0.243 -0.00519 -0.26 0.245 3.12E-4 0.02 -0.1692 -0.6584 2066986 IFLab1_002677 COc1ccc(cc1)n2ccnc2SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J16 compound treatment 0.248 -1.94E-4 -0.01 0.252 0.00731 0.4 0.2768 0.6901 2066987 IFLab1_002678 CCS(=O)(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J17 compound treatment 0.251 0.00281 0.14 0.251 0.00631 0.35 0.3427 0.9193 2066988 IFLab1_002679 COc1ccc(OC)c(NC(=O)CSc2nccn2c3cccc(Cl)c3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J18 compound treatment 0.25 0.00181 0.09 0.25 0.00531 0.29 0.269 0.8832 2066989 IFLab1_002680 O=C(NCCn1ccc2ccccc12)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J19 compound treatment 0.254 0.00581 0.29 0.278 0.0333 1.83 1.4943 0.8082 1410330 IFLab1_002681 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(F)cc(F)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J20 compound treatment 0.251 0.00281 0.14 0.242 -0.00269 -0.15 -0.0062 -0.0307 2066990 IFLab1_002682 O=C(NCCn1ccc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J21 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2066991 IFLab1_002683 Brc1ccc(cc1)c2nnc3sc(CN4CCCCCC4)cn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J22 compound treatment 0.246 -0.00219 -0.11 0.247 0.00231 0.13 0.0131 0.0783 2066992 IFLab1_002684 CC(Oc1ccccc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J23 mock treatment 0.249 8.06E-4 0.04 0.247 0.00231 0.13 0.1178 0.8865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 J24 mock treatment 0.245 -0.00319 -0.16 0.245 3.12E-4 0.02 -0.0994 -0.6266 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K01 compound treatment 0.253 0.00481 0.24 0.243 -0.00169 -0.09 0.1024 0.402 2066993 IFLab1_002685 CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K02 compound treatment 0.247 -0.00119 -0.06 0.251 0.00631 0.35 0.2031 0.5784 2066994 IFLab1_002686 CC(C)n1c(CCCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K03 compound treatment 0.248 -1.94E-4 -0.01 0.248 0.00331 0.18 0.1217 0.669 2066995 IFLab1_002687 CCCn1c(nc2ccccc12)C(C)NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K04 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2066996 IFLab1_002688 CC(=O)NCCCc1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K05 compound treatment 0.245 -0.00319 -0.16 0.247 0.00231 0.13 -0.0219 -0.108 2066997 IFLab1_002689 CC(NC(=O)C)c1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K06 compound treatment 0.249 8.06E-4 0.04 0.252 0.00731 0.4 0.3117 0.7735 2066998 IFLab1_002690 O=C(Cc1ccccc1)NCCCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K07 compound treatment 0.246 -0.00219 -0.11 0.248 0.00331 0.18 0.0518 0.2451 2066999 IFLab1_002691 CC(NC(=O)C)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K08 compound treatment 0.254 0.00581 0.29 0.251 0.00631 0.35 0.4475 0.9956 2067000 IFLab1_002692 CCCn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K09 compound treatment 0.248 -1.94E-4 -0.01 0.247 0.00231 0.13 0.0829 0.652 2067001 IFLab1_002693 Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K10 compound treatment 0.288 0.0398 1.97 0.285 0.0403 2.21 2.9529 0.9983 2067002 IFLab1_002694 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K11 compound treatment 0.249 8.06E-4 0.04 0.243 -0.00169 -0.09 -0.0373 -0.3699 2067003 IFLab1_002695 CCn1c(CCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K12 compound treatment 0.255 0.00681 0.34 0.254 0.00931 0.51 0.5987 0.9794 2067004 IFLab1_002696 CCC(=O)Nc1c(nc2ccccn12)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K13 compound treatment 0.247 -0.00119 -0.06 0.255 0.0103 0.57 0.3581 0.63 2067005 IFLab1_002697 CCCCn1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K14 compound treatment 0.247 -0.00119 -0.06 0.249 0.00431 0.24 0.1255 0.5151 2067006 IFLab1_002698 CC(C)(C)CC(=O)Nc1c(nc2ccccn12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K15 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2067007 IFLab1_002699 CC(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K16 compound treatment 0.251 0.00281 0.14 0.249 0.00431 0.24 0.2652 0.9676 2067008 IFLab1_002700 O=C(CS(=O)(=O)c1c[nH]c2ccccc12)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K17 compound treatment 0.254 0.00581 0.29 0.252 0.00731 0.4 0.4863 0.9865 2067009 IFLab1_002701 CC(=C)Cn1c(CCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K18 compound treatment 0.272 0.0238 1.18 0.26 0.0153 0.84 1.4249 0.9864 2067010 IFLab1_002702 Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K19 compound treatment 0.248 -1.94E-4 -0.01 0.251 0.00631 0.35 0.238 0.6873 2067011 IFLab1_002703 COc1ccc(cc1OC)C(=O)NCCCc2nc3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K20 compound treatment 0.279 0.0308 1.52 0.287 0.0423 2.32 2.7162 0.9791 2067012 IFLab1_002704 Fc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)NC4CCCCC4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K21 compound treatment 0.254 0.00581 0.29 0.249 0.00431 0.24 0.3699 0.9954 2067013 IFLab1_002705 CCn1c(CCCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K22 compound treatment 0.253 0.00481 0.24 0.256 0.0113 0.62 0.6064 0.9131 2067014 IFLab1_002706 O=C(CSc1nnc(o1)c2ccccc2)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K23 mock treatment 0.252 0.00381 0.19 0.25 0.00531 0.29 0.3389 0.9775 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 K24 mock treatment 0.258 0.00981 0.48 0.245 3.12E-4 0.02 0.3545 0.7317 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L01 compound treatment 0.243 -0.00519 -0.26 0.252 0.00731 0.4 0.1022 0.2146 2067015 IFLab1_002707 Clc1cccc(c1)c2nnc(SCC(=O)NC3CCCCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L02 compound treatment 0.25 0.00181 0.09 0.249 0.00431 0.24 0.2303 0.9112 2067016 IFLab1_002708 O=C(Nc1nnc(o1)c2ccc3CCCCc3c2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L03 compound treatment 0.248 -1.94E-4 -0.01 0.252 0.00731 0.4 0.2768 0.6901 2067017 IFLab1_002709 CC1CC(C)CN(C1)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L04 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2067018 IFLab1_002710 COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(F)c(F)c3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L05 compound treatment 0.248 -1.94E-4 -0.01 0.254 0.00931 0.51 0.3543 0.6937 2067019 IFLab1_002711 O=C(CSc1ncnc2c3ccccc3oc12)Nc4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L06 compound treatment 0.254 0.00581 0.29 0.248 0.00331 0.18 0.3312 0.9757 2067020 IFLab1_002712 CC(C)CC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L07 compound treatment 0.232 -0.0162 -0.8 0.226 -0.0187 -1.02 -1.29 -0.9925 2067021 IFLab1_002713 CC(C)Sc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L08 compound treatment 0.296 0.0478 2.36 0.28 0.0353 1.94 3.0384 0.9952 2067022 IFLab1_002714 Cc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L09 compound treatment 0.265 0.0168 0.83 0.263 0.0183 1.0 1.2968 0.9955 2067023 IFLab1_002715 O=C1CCCN2N=C(SC/C=C/c3ccccc3)SC2=N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L10 compound treatment 0.246 -0.00219 -0.11 0.249 0.00431 0.24 0.0906 0.3484 2067024 IFLab1_002716 COc1ccc2cc(CCNC(=O)C)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L11 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2067025 IFLab1_002717 O=C(CSc1nccn1c2ccccc2)Nc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L12 compound treatment 0.269 0.0208 1.03 0.264 0.0193 1.06 1.4753 0.9999 2067026 IFLab1_002718 Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccs3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L13 compound treatment 0.251 0.00281 0.14 0.259 0.0143 0.78 0.6529 0.8193 2067027 IFLab1_002719 CCOc1ccccc1NC(=O)CSc2nccn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L14 compound treatment 0.248 -1.94E-4 -0.01 0.242 -0.00269 -0.15 -0.111 -0.7514 2067028 IFLab1_002720 Cc1ccc2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L15 compound treatment 0.243 -0.00519 -0.26 0.244 -6.88E-4 -0.04 -0.208 -0.8024 2067029 IFLab1_002721 COc1ccc(cc1)n2ccnc2SCC(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L16 compound treatment 0.252 0.00381 0.19 0.26 0.0153 0.84 0.7266 0.8445 2067030 IFLab1_002722 Cc1ccc(C)c2[nH]c(=O)c(CCNS(=O)(=O)C)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L17 compound treatment 0.26 0.0118 0.58 0.251 0.00631 0.35 0.657 0.969 2067031 IFLab1_002723 Clc1cccc(c1)n2ccnc2SCC(=O)NC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L18 compound treatment 0.249 8.06E-4 0.04 0.248 0.00331 0.18 0.1566 0.8421 2067032 IFLab1_002724 O=C(NCCn1ccc2ccccc12)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L19 compound treatment 0.284 0.0358 1.77 0.301 0.0563 3.09 3.4335 0.965 2067033 IFLab1_002725 Fc1cccc2sc(NC(=O)c3cccs3)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L20 compound treatment 0.248 -1.94E-4 -0.01 0.249 0.00431 0.24 0.1604 0.678 2067034 IFLab1_002726 Brc1ccc(o1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L21 compound treatment 0.248 -1.94E-4 -0.01 0.245 3.12E-4 0.02 0.0054 0.2731 2067035 IFLab1_002727 CCOC(=O)C1CCN(Cc2cn3c(nnc3s2)c4ccc(Br)cc4)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L22 compound treatment 0.273 0.0248 1.22 0.272 0.0273 1.5 1.9251 0.995 2067036 IFLab1_002728 O=C(NCCn1ccc2ccccc12)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L23 mock treatment 0.249 8.06E-4 0.04 0.254 0.00931 0.51 0.3892 0.7599 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 L24 mock treatment 0.252 0.00381 0.19 0.248 0.00331 0.18 0.2613 0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M01 compound treatment 0.243 -0.00519 -0.26 0.239 -0.00569 -0.31 -0.4019 -0.9953 2067037 IFLab1_002729 COCC(=O)NC(C)c1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M02 compound treatment 0.248 -1.94E-4 -0.01 0.245 3.12E-4 0.02 0.0054 0.2731 2067038 IFLab1_002730 CCCCn1c(CCCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M03 compound treatment 0.246 -0.00219 -0.11 0.243 -0.00169 -0.09 -0.142 -0.9969 2067039 IFLab1_002731 CC(C)n1c(nc2ccccc12)C(C)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M04 compound treatment 0.24 -0.00819 -0.4 0.242 -0.00269 -0.15 -0.3903 -0.9064 2067040 IFLab1_002732 CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M05 compound treatment 0.239 -0.00919 -0.45 0.248 0.00331 0.18 -0.1926 -0.3939 2067041 IFLab1_002733 CCC(=O)NC(C)c1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M06 compound treatment 0.246 -0.00219 -0.11 0.253 0.00831 0.46 0.2457 0.5244 2067042 IFLab1_002734 COc1ccc(cc1OC)C(=O)NCCCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M07 compound treatment 0.245 -0.00319 -0.16 0.245 3.12E-4 0.02 -0.0994 -0.6266 2067043 IFLab1_002735 CCC(=O)NC(C)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M08 compound treatment 0.251 0.00281 0.14 0.247 0.00231 0.13 0.1877 0.999 2067044 IFLab1_002736 CCCCn1c(nc2ccccc12)C(Cc3ccccc3)NC(=O)COC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M09 compound treatment 0.242 -0.00619 -0.31 0.246 0.00131 0.07 -0.1654 -0.5264 2067045 IFLab1_002737 COCC(=O)NCCc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M10 compound treatment 0.263 0.0148 0.73 0.261 0.0163 0.89 1.1495 0.995 2067046 IFLab1_002738 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M11 compound treatment 0.251 0.00281 0.14 0.251 0.00631 0.35 0.3427 0.9193 2067047 IFLab1_002739 CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M12 compound treatment 0.246 -0.00219 -0.11 0.244 -6.88E-4 -0.04 -0.1032 -0.9002 2067048 IFLab1_002740 CCCCC(=O)Nc1c(nc2ccccn12)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M13 compound treatment 0.241 -0.00719 -0.36 0.251 0.00631 0.35 -0.0064 -0.013 2067049 IFLab1_002741 CCCCn1c(CCNC(=O)Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M14 compound treatment 0.24 -0.00819 -0.4 0.238 -0.00669 -0.37 -0.5454 -0.9988 2067050 IFLab1_002742 O=C(Nc1c(nc2ccccn12)c3ccccc3)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M15 compound treatment 0.245 -0.00319 -0.16 0.245 3.12E-4 0.02 -0.0994 -0.6266 2067051 IFLab1_002743 CC(C)Cn1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M16 compound treatment 0.231 -0.0172 -0.85 0.243 -0.00169 -0.09 -0.6658 -0.7795 2067052 IFLab1_002744 Fc1cccc(CS(=O)(=O)c2c[nH]c3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M17 compound treatment 0.253 0.00481 0.24 0.252 0.00731 0.4 0.4513 0.9687 2067053 IFLab1_002745 CC(=O)NCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M18 compound treatment 0.243 -0.00519 -0.26 0.25 0.00531 0.29 0.0246 0.0634 2067054 IFLab1_002746 CCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M19 compound treatment 0.249 8.06E-4 0.04 0.245 3.12E-4 0.02 0.0403 0.929 2067055 IFLab1_002747 Cn1c(CCCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M20 compound treatment 0.236 -0.0122 -0.6 0.234 -0.0107 -0.59 -0.8401 -0.9999 2067056 IFLab1_002748 Cc1ccccc1Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N4CCCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M21 compound treatment 0.243 -0.00519 -0.26 0.25 0.00531 0.29 0.0246 0.0634 2067057 IFLab1_002749 CCCn1c(CCCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M22 compound treatment 0.242 -0.00619 -0.31 0.255 0.0103 0.57 0.1836 0.2855 2067058 IFLab1_002750 O=C(CSc1nnc(o1)c2ccccc2)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M23 mock treatment 0.245 -0.00319 -0.16 0.239 -0.00569 -0.31 -0.332 -0.9501 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 M24 mock treatment 0.247 -0.00119 -0.06 0.242 -0.00269 -0.15 -0.1459 -0.9191 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N01 compound treatment 0.242 -0.00619 -0.31 0.245 3.12E-4 0.02 -0.2041 -0.6664 2067059 IFLab1_002751 CC1CCN(CC1)C(=O)CSc2nnc(Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N02 compound treatment 0.24 -0.00819 -0.4 0.242 -0.00269 -0.15 -0.3903 -0.9064 2067060 IFLab1_002752 O=C(Nc1nnc(o1)c2ccc3CCCCc3c2)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N03 compound treatment 0.244 -0.00419 -0.21 0.246 0.00131 0.07 -0.0955 -0.4358 1987190 IFLab1_002753 CC1CCCCN1C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N04 compound treatment 0.244 -0.00419 -0.21 0.245 3.12E-4 0.02 -0.1343 -0.6464 2067061 IFLab1_002754 Cc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N05 compound treatment 0.238 -0.0102 -0.5 0.236 -0.00869 -0.48 -0.6928 -0.9996 2067062 IFLab1_002755 NC(=O)CSc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N06 compound treatment 0.243 -0.00519 -0.26 0.249 0.00431 0.24 -0.0142 -0.0406 2067063 IFLab1_002756 CC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N07 compound treatment 0.235 -0.0132 -0.65 0.237 -0.00769 -0.42 -0.7587 -0.9778 2067064 IFLab1_002757 COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N08 compound treatment 0.294 0.0458 2.26 0.269 0.0243 1.33 2.5421 0.9682 2067065 IFLab1_002758 COc1ccc2cc(CCNC(=O)Cc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N09 compound treatment 0.242 -0.00619 -0.31 0.242 -0.00269 -0.15 -0.3205 -0.9439 2067066 IFLab1_002759 O=C(CSc1nccn1c2ccccc2)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N10 compound treatment 0.248 -1.94E-4 -0.01 0.243 -0.00169 -0.09 -0.0722 -0.776 2067067 IFLab1_002760 COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N11 compound treatment 0.226 -0.0222 -1.1 0.231 -0.0137 -0.75 -1.3056 -0.9829 2067068 IFLab1_002761 FC(F)(F)Oc1ccc(NC(=O)CSc2nccn2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N12 compound treatment 0.242 -0.00619 -0.31 0.247 0.00231 0.13 -0.1266 -0.3824 2067069 IFLab1_002762 CCC(CC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N13 compound treatment 0.246 -0.00219 -0.11 0.255 0.0103 0.57 0.3232 0.5614 2067070 IFLab1_002763 O=C(CSc1nccn1c2ccccc2)NCc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N14 compound treatment 0.246 -0.00219 -0.11 0.241 -0.00369 -0.2 -0.2196 -0.9572 2067071 IFLab1_002764 Cc1ccc2cc(CCNC(=O)C3CCCCC3)c(=O)[nH]c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N15 compound treatment 0.238 -0.0102 -0.5 0.246 0.00131 0.07 -0.3051 -0.5999 2067072 IFLab1_002765 COc1ccc(cc1)n2ccnc2SCC(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N16 compound treatment 0.246 -0.00219 -0.11 0.249 0.00431 0.24 0.0906 0.3484 2067073 IFLab1_002766 CCCS(=O)(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N17 compound treatment 0.248 -1.94E-4 -0.01 0.251 0.00631 0.35 0.238 0.6873 2067074 IFLab1_002767 CCc1nnc(NC(=O)CSc2nccn2c3ccc(Cl)cc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N18 compound treatment 0.236 -0.0122 -0.6 0.238 -0.00669 -0.37 -0.6851 -0.9717 2067075 IFLab1_002768 O=C(Cc1cccs1)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N19 compound treatment 0.264 0.0158 0.78 0.267 0.0223 1.22 1.417 0.9764 2067076 IFLab1_002769 Fc1cccc2sc(NC(=O)c3ccco3)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N20 compound treatment 0.242 -0.00619 -0.31 0.246 0.00131 0.07 -0.1654 -0.5264 2067077 IFLab1_002770 CCOc1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N21 compound treatment 0.246 -0.00219 -0.11 0.236 -0.00869 -0.48 -0.4134 -0.8463 2067078 IFLab1_002771 CC1CCN(Cc2cn3c(nnc3s2)c4ccc(Br)cc4)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N22 compound treatment 0.245 -0.00319 -0.16 0.236 -0.00869 -0.48 -0.4483 -0.8935 2067079 IFLab1_002772 Cc1cccc(c1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N23 mock treatment 0.248 -1.94E-4 -0.01 0.245 3.12E-4 0.02 0.0054 0.2731 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 N24 mock treatment 0.257 0.00881 0.43 0.246 0.00131 0.07 0.3584 0.8131 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O01 compound treatment 0.243 -0.00519 -0.26 0.247 0.00231 0.13 -0.0917 -0.3205 2067080 IFLab1_002773 COc1ccc(cc1OC)C(=O)NC(C)c2nc3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O02 compound treatment 0.246 -0.00219 -0.11 0.249 0.00431 0.24 0.0906 0.3484 2067081 IFLab1_002774 CCCCn1c(CCCNC(=O)CC)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O03 compound treatment 0.246 -0.00219 -0.11 0.234 -0.0107 -0.59 -0.491 -0.8239 2067082 IFLab1_002775 CCCC(=O)NC(C)c1nc2ccccc2n1C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O04 compound treatment 0.246 -0.00219 -0.11 0.245 3.12E-4 0.02 -0.0645 -0.5879 2067083 IFLab1_002776 C=CCn1c(CCCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O05 compound treatment 0.261 0.0128 0.63 0.25 0.00531 0.29 0.6531 0.9381 2067084 IFLab1_002777 CC(C)Cn1c(nc2ccccc12)C(C)NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O06 compound treatment 0.257 0.00881 0.43 0.253 0.00831 0.46 0.6298 0.9997 2067085 IFLab1_002778 O=C(NCCCc1nc2ccccc2[nH]1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O07 compound treatment 0.244 -0.00419 -0.21 0.243 -0.00169 -0.09 -0.2119 -0.934 2067086 IFLab1_002779 CC(NC(=O)C(C)(C)C)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O08 compound treatment 0.253 0.00481 0.24 0.253 0.00831 0.46 0.4901 0.9538 1363058 IFLab1_002780 O=C(NC(Cc1ccccc1)c2nc3ccccc3[nH]2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O09 compound treatment 0.239 -0.00919 -0.45 0.246 0.00131 0.07 -0.2701 -0.5877 2067087 IFLab1_002781 Cn1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O10 compound treatment 0.245 -0.00319 -0.16 0.239 -0.00569 -0.31 -0.332 -0.9501 2067088 IFLab1_002782 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O11 compound treatment 0.245 -0.00319 -0.16 0.242 -0.00269 -0.15 -0.2157 -0.9994 2067089 IFLab1_002783 CCCn1c(CCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O12 compound treatment 0.243 -0.00519 -0.26 0.246 0.00131 0.07 -0.1305 -0.4898 2067090 IFLab1_002784 COc1ccc(cc1)c2nc3ccccn3c2NC(=O)CC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O13 compound treatment 0.24 -0.00819 -0.4 0.256 0.0113 0.62 0.1525 0.2059 2067091 IFLab1_002785 CCCCn1c(CCNC(=O)c2cccs2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O14 compound treatment 0.244 -0.00419 -0.21 0.246 0.00131 0.07 -0.0955 -0.4358 2067092 IFLab1_002786 Cc1ccn2c(NC(=O)C(C)(C)C)c(nc2c1)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O15 compound treatment 0.256 0.00781 0.39 0.258 0.0133 0.73 0.7887 0.9555 2067093 IFLab1_002787 COc1ccc(cc1OC)C(=O)NCCc2nc3ccccc3n2CC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O16 compound treatment 0.247 -0.00119 -0.06 0.249 0.00431 0.24 0.1255 0.5151 2067094 IFLab1_002788 Cc1ccccc1CS(=O)(=O)c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O17 compound treatment 0.246 -0.00219 -0.11 0.251 0.00631 0.35 0.1681 0.4636 2067095 IFLab1_002789 CC(C)(C)C(=O)NCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O18 compound treatment 0.253 0.00481 0.24 0.248 0.00331 0.18 0.2963 0.9913 2067096 IFLab1_002790 CCn1cc(c2ccccc12)S(=O)(=O)CC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O19 compound treatment 0.241 -0.00719 -0.36 0.241 -0.00369 -0.2 -0.3941 -0.9643 2067097 IFLab1_002791 CCn1c(CCCNC(=O)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O20 compound treatment 0.242 -0.00619 -0.31 0.249 0.00431 0.24 -0.0491 -0.1269 2067098 IFLab1_002792 Cc1ccccc1Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O21 compound treatment 0.243 -0.00519 -0.26 0.243 -0.00169 -0.09 -0.2468 -0.9051 1542607 IFLab1_002793 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4CCCCc4c3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O22 compound treatment 0.253 0.00481 0.24 0.256 0.0113 0.62 0.6064 0.9131 2067099 IFLab1_002794 CC1CCCCN1C(=O)CSc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O23 mock treatment 0.249 8.06E-4 0.04 0.246 0.00131 0.07 0.079 0.9611 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 O24 mock treatment 0.257 0.00881 0.43 0.24 -0.00469 -0.26 0.1258 0.249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P01 compound treatment 0.238 -0.0102 -0.5 0.245 3.12E-4 0.02 -0.3438 -0.6826 2067100 IFLab1_002795 O=C(CSc1nnc(Cc2ccccc2)o1)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P02 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2067101 IFLab1_002796 CC(C)(C)C(=O)Nc1nnc(o1)c2ccc3CCCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P03 compound treatment 0.248 -1.94E-4 -0.01 0.25 0.00531 0.29 0.1992 0.6835 2067102 IFLab1_002797 O=C(CSc1nnc(COc2ccccc2)o1)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P04 compound treatment 0.242 -0.00619 -0.31 0.25 0.00531 0.29 -0.0103 -0.0244 2067103 IFLab1_002798 Cc1ccc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P05 compound treatment 0.249 8.06E-4 0.04 0.24 -0.00469 -0.26 -0.1536 -0.5905 2067104 IFLab1_002799 O=C(CSc1ncnc2c3ccccc3oc12)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P06 compound treatment 0.246 -0.00219 -0.11 0.252 0.00731 0.4 0.2069 0.4982 2067105 IFLab1_002800 Cc1ccc2cc(CCNC(=O)c3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P07 compound treatment 0.252 0.00381 0.19 0.253 0.00831 0.46 0.4552 0.9233 2067106 IFLab1_002801 CCOC(=O)CSc1ncnc2c3ccccc3oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P08 compound treatment 0.246 -0.00219 -0.11 0.249 0.00431 0.24 0.0906 0.3484 2067107 IFLab1_002802 COc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P09 compound treatment 0.252 0.00381 0.19 0.252 0.00731 0.4 0.4164 0.9404 2067108 IFLab1_002803 Cc1nnc(NC(=O)CSc2nccn2c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P10 compound treatment 0.248 -1.94E-4 -0.01 0.242 -0.00269 -0.15 -0.111 -0.7514 2067109 IFLab1_002804 CCC(CC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P11 compound treatment 0.244 -0.00419 -0.21 0.247 0.00231 0.13 -0.0568 -0.2338 2067110 IFLab1_002805 Cc1ccc2nc(NC(=O)CSc3nccn3c4ccccc4)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P12 compound treatment 0.245 -0.00319 -0.16 0.252 0.00731 0.4 0.172 0.3992 2067111 IFLab1_002806 CCC(C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P13 compound treatment 0.251 0.00281 0.14 0.238 -0.00669 -0.37 -0.1613 -0.4114 2067112 IFLab1_002807 CCc1nnc(NC(=O)CSc2nccn2c3cc(C)cc(C)c3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P14 compound treatment 0.251 0.00281 0.14 0.249 0.00431 0.24 0.2652 0.9676 2067113 IFLab1_002808 Cc1ccc2cc(CCNC(=O)c3ccc(F)c(F)c3)c(=O)[nH]c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P15 compound treatment 0.239 -0.00919 -0.45 0.243 -0.00169 -0.09 -0.3864 -0.8341 2067114 IFLab1_002809 COc1ccc(cc1)n2ccnc2SCC(=O)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P16 compound treatment 0.245 -0.00319 -0.16 0.253 0.00831 0.46 0.2108 0.437 2067115 IFLab1_002810 COc1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P17 compound treatment 0.255 0.00681 0.34 0.248 0.00331 0.18 0.3661 0.9582 2067116 IFLab1_002811 Fc1ccccc1NC(=O)CSc2nccn2c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P18 compound treatment 0.243 -0.00519 -0.26 0.25 0.00531 0.29 0.0246 0.0634 2067117 IFLab1_002812 COc1ccc(/C=C/C(=O)NCCn2ccc3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P19 compound treatment 0.25 0.00181 0.09 0.251 0.00631 0.35 0.3078 0.8612 2067118 IFLab1_002813 CC(=O)Nc1ccc2n(C)c(=NC(=O)c3ccco3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P20 compound treatment 0.249 8.06E-4 0.04 0.255 0.0103 0.57 0.428 0.755 2067119 IFLab1_002814 CC(=O)NCCn1ccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P21 compound treatment 0.251 0.00281 0.14 0.25 0.00531 0.29 0.304 0.9423 2067120 IFLab1_002815 Brc1ccc(cc1)c2nnc3sc(CNC4CCCC4)cn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P22 compound treatment 0.238 -0.0102 -0.5 0.238 -0.00669 -0.37 -0.6152 -0.9879 2067121 IFLab1_002816 CC(C)(C)C(=O)NCCn1ccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P23 mock treatment 0.246 -0.00219 -0.11 0.251 0.00631 0.35 0.1681 0.4636 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1419 P24 mock treatment 0.266 0.0178 0.88 0.244 -6.88E-4 -0.04 0.5951 0.6762 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A01 compound treatment 0.199 -0.0456 -2.25 0.192 -0.0522 -2.86 -3.6163 -0.993 2067122 IFLab1_002817 CCC(=O)NCCn1ccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A02 compound treatment 0.207 -0.0376 -1.86 0.208 -0.0362 -1.98 -2.7166 -0.9995 2067123 IFLab1_002818 O=C(CCn1c(=O)sc2ccccc12)NCCC3=CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A03 compound treatment 0.239 -0.00561 -0.28 0.243 -0.00119 -0.07 -0.2423 -0.8507 2067124 IFLab1_002819 Cc1cc2ccccc2n1CCNC(=O)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A04 compound treatment 0.221 -0.0236 -1.17 0.237 -0.00719 -0.39 -1.1034 -0.8964 2067125 IFLab1_002820 COc1ccc(NC(=O)CCn2c(=O)sc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A05 compound treatment 0.235 -0.00961 -0.47 0.231 -0.0132 -0.72 -0.8472 -0.9791 2067126 IFLab1_002821 Cc1cc2ccccc2n1CCNC(=O)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A06 compound treatment 0.227 -0.0176 -0.87 0.231 -0.0132 -0.72 -1.1265 -0.9958 2067127 IFLab1_002822 Fc1cc(F)c2c(c1)sc3nnc(c4ccccc4)n32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A07 compound treatment 0.234 -0.0106 -0.52 0.241 -0.00319 -0.18 -0.4944 -0.8947 2067128 IFLab1_002823 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A08 compound treatment 0.24 -0.00461 -0.23 0.242 -0.00219 -0.12 -0.2461 -0.9555 2067129 IFLab1_002824 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)NC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A09 compound treatment 0.24 -0.00461 -0.23 0.239 -0.00519 -0.28 -0.3624 -0.9939 2067130 IFLab1_002825 Cc1cc(NC(=O)c2ccccc2)nc3c4ccccc4oc(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A10 compound treatment 0.243 -0.00161 -0.08 0.242 -0.00219 -0.12 -0.1414 -0.98 2067131 IFLab1_002826 CCCCC(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A11 compound treatment 0.237 -0.00761 -0.38 0.236 -0.00819 -0.45 -0.5835 -0.9961 2067132 IFLab1_002827 CCOC(=O)C1C(CC(=CC1=O)c2ccco2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A12 compound treatment 0.256 0.0114 0.56 0.256 0.0118 0.65 0.8554 0.9975 2067133 IFLab1_002828 COc1ccc(cc1OC)C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A13 compound treatment 0.238 -0.00661 -0.33 0.252 0.00781 0.43 0.0718 0.1333 2067134 IFLab1_002829 CC1CCCN(C1)C(=O)CSCC(=O)N=c2sc3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A14 compound treatment 0.242 -0.00261 -0.13 0.231 -0.0132 -0.72 -0.6028 -0.8203 2067135 IFLab1_002830 Cc1cc2cc(CNC(=O)Cc3cccs3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A15 compound treatment 0.235 -0.00961 -0.47 0.237 -0.00719 -0.39 -0.6146 -0.9958 2067136 IFLab1_002831 Cc1nc2sc(C(N3CCCCC3)c4ccccc4)c(O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A16 compound treatment 0.247 0.00239 0.12 0.24 -0.00419 -0.23 -0.0792 -0.3066 1987774 IFLab1_002832 CCOC(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A17 compound treatment 0.229 -0.0156 -0.77 0.234 -0.0102 -0.56 -0.9404 -0.9875 2067137 IFLab1_002833 COc1ccc(cc1)C(=O)NCC(N(C)C)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A18 compound treatment 0.23 -0.0146 -0.72 0.232 -0.0122 -0.67 -0.983 -0.9993 2067138 IFLab1_002834 CC(C)CC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A19 compound treatment 0.227 -0.0176 -0.87 0.221 -0.0232 -1.27 -1.5142 -0.9828 2067139 IFLab1_002835 CN(Cc1ccccc1)C(=O)CCn2c(=O)oc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A20 compound treatment 0.227 -0.0176 -0.87 0.228 -0.0162 -0.89 -1.2428 -0.9999 2067140 IFLab1_002836 Cc1cc2cc(CNC(=O)c3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A21 compound treatment 0.238 -0.00661 -0.33 0.234 -0.0102 -0.56 -0.6261 -0.9673 2067141 IFLab1_002837 O=C(CCn1c(=O)oc2ccccc12)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A22 compound treatment 0.275 0.0304 1.5 0.246 0.00181 0.1 1.1311 0.7521 2067142 IFLab1_002838 Cc1cc2cc(CNC(=O)Cc3cccs3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A23 mock treatment 0.241 -0.00361 -0.18 0.236 -0.00819 -0.45 -0.4438 -0.9182 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 A24 mock treatment 0.206 -0.0386 -1.91 0.201 -0.0432 -2.37 -3.0229 -0.9942 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B01 compound treatment 0.239 -0.00561 -0.28 0.233 -0.0112 -0.61 -0.63 -0.9355 1987861 IFLab1_002839 CCOC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B02 compound treatment 0.242 -0.00261 -0.13 0.25 0.00581 0.32 0.1339 0.3897 2067143 IFLab1_002840 CCN1CCN(CC1)C(C(C)NC(=O)c2cccc(OC)c2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B03 compound treatment 0.24 -0.00461 -0.23 0.243 -0.00119 -0.07 -0.2073 -0.8749 2067144 IFLab1_002841 CC(C)CC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B04 compound treatment 0.244 -6.13E-4 -0.03 0.247 0.00281 0.15 0.0874 0.5573 2067145 IFLab1_002842 CCN1CCN(CC1)C(C(C)NC(=O)c2ccncc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B05 compound treatment 0.263 0.0184 0.91 0.264 0.0198 1.09 1.4099 0.996 2067146 IFLab1_002843 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B06 compound treatment 0.251 0.00639 0.32 0.251 0.00681 0.37 0.4869 0.9965 2067147 IFLab1_002844 CC(NS(=O)(=O)C)C(N1CCOCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B07 compound treatment 0.251 0.00639 0.32 0.255 0.0108 0.59 0.642 0.9564 2067148 IFLab1_002845 CCCS(=O)(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B08 compound treatment 0.257 0.0124 0.61 0.26 0.0158 0.87 1.0454 0.9855 2067149 IFLab1_002846 Cn1cccc1Cc2nnc(SCC(=O)N3CCCC3)n2CCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B09 compound treatment 0.256 0.0114 0.56 0.26 0.0158 0.87 1.0104 0.9781 1987731 IFLab1_002847 Cn1c(SCC(=O)N2CCCC2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B10 compound treatment 0.254 0.00939 0.46 0.252 0.00781 0.43 0.6304 0.9992 2067150 IFLab1_002848 CCn1c(nc2ccccc12)C3CN(Cc4ccccc4)C(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B11 compound treatment 0.25 0.00539 0.27 0.253 0.00881 0.48 0.5295 0.9605 2067151 IFLab1_002849 CCn1c(SC)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B12 compound treatment 0.258 0.0134 0.66 0.252 0.00781 0.43 0.7701 0.9779 2067152 IFLab1_002850 CCSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B13 compound treatment 0.254 0.00939 0.46 0.263 0.0188 1.03 1.0569 0.9349 2067153 IFLab1_002851 COCCn1c(SC)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B14 compound treatment 0.26 0.0154 0.76 0.262 0.0178 0.98 1.2277 0.9923 2067154 IFLab1_002852 Cc1cc(NC(=O)CN2C(=O)CC(Sc3ccccc23)c4ccccc4)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B15 compound treatment 0.274 0.0294 1.45 0.273 0.0288 1.58 2.143 0.9991 2067155 IFLab1_002853 COC(=O)CSc1nnc(c2c[nH]c3ccccc23)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B16 compound treatment 0.257 0.0124 0.61 0.257 0.0128 0.7 0.929 0.9976 2067156 IFLab1_002854 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(CC2)c3ccccc3F)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B17 compound treatment 0.258 0.0134 0.66 0.263 0.0188 1.03 1.1966 0.9769 2067157 IFLab1_002855 COc1ccc(CC(=O)NC(C)C(N2CCOCC2)c3cccs3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B18 compound treatment 0.257 0.0124 0.61 0.256 0.0118 0.65 0.8903 0.9996 2067158 IFLab1_002856 O=C(Nc1ccccc1)c2cccn(OCc3ccccc3)c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B19 compound treatment 0.254 0.00939 0.46 0.251 0.00681 0.37 0.5917 0.9942 2067159 IFLab1_002857 COc1ccc(cc1OC)C(=O)NC(C)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B20 compound treatment 0.292 0.0474 2.34 0.268 0.0238 1.31 2.5776 0.962 2067160 IFLab1_002858 COc1ccccc1NC(=O)CSc2ncnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B21 compound treatment 0.253 0.00839 0.41 0.254 0.00981 0.54 0.6731 0.9917 1260122 IFLab1_002859 Cc1ccc(cc1C)c2nnc(N3CCOCC3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B22 compound treatment 0.234 -0.0106 -0.52 0.236 -0.00819 -0.45 -0.6882 -0.9971 2067161 IFLab1_002860 COC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B23 mock treatment 0.247 0.00239 0.12 0.251 0.00681 0.37 0.3472 0.8872 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 B24 mock treatment 0.243 -0.00161 -0.08 0.24 -0.00419 -0.23 -0.2189 -0.8996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C01 compound treatment 0.223 -0.0216 -1.07 0.231 -0.0132 -0.72 -1.2662 -0.9821 1987268 IFLab1_002861 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C02 compound treatment 0.235 -0.00961 -0.47 0.236 -0.00819 -0.45 -0.6533 -0.9996 2067162 IFLab1_002862 CC1CCCCC1NC(=O)CCn2c(=O)sc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C03 compound treatment 0.236 -0.00861 -0.43 0.236 -0.00819 -0.45 -0.6184 -0.9996 2067163 IFLab1_002863 Cc1cc2ccccc2n1CCNC(=O)Cc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C04 compound treatment 0.243 -0.00161 -0.08 0.246 0.00181 0.1 0.0137 0.1079 2067164 IFLab1_002864 CCOC(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C05 compound treatment 0.236 -0.00861 -0.43 0.241 -0.00319 -0.18 -0.4246 -0.9231 2067165 IFLab1_002865 CC(Oc1ccccc1)C(=O)NCCn2c(C)cc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C06 compound treatment 0.246 0.00139 0.07 0.242 -0.00219 -0.12 -0.0366 -0.2645 2067166 IFLab1_002866 CN(C1CCCCC1)C(=O)c2sc3nc(cn3c2C)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C07 compound treatment 0.24 -0.00461 -0.23 0.241 -0.00319 -0.18 -0.2849 -0.9916 2067167 IFLab1_002867 Cc1cc2ccccc2n1CCNS(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C08 compound treatment 0.272 0.0274 1.35 0.271 0.0268 1.47 1.9956 0.9991 2067168 IFLab1_002868 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)Nc4cccc(C)n4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C09 compound treatment 0.263 0.0184 0.91 0.275 0.0308 1.69 1.8364 0.9576 2067169 IFLab1_002869 CCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C10 compound treatment 0.241 -0.00361 -0.18 0.241 -0.00319 -0.18 -0.25 -1.0 2067170 IFLab1_002870 CC(C)CC(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C11 compound treatment 0.239 -0.00561 -0.28 0.237 -0.00719 -0.39 -0.4749 -0.9851 2067171 IFLab1_002871 CCOC(=O)C1C(CC(=CC1=O)c2ccco2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C12 compound treatment 0.243 -0.00161 -0.08 0.247 0.00281 0.15 0.0525 0.3029 2067172 IFLab1_002872 Cc1cc2cc(CNC(=O)c3ccc4OCOc4c3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C13 compound treatment 0.24 -0.00461 -0.23 0.244 -1.94E-4 -0.01 -0.1686 -0.7392 2067173 IFLab1_002873 CCn1c(=NC(=O)CSCC(=O)N2CCCc3ccccc23)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C14 compound treatment 0.239 -0.00561 -0.28 0.238 -0.00619 -0.34 -0.4361 -0.9949 2067174 IFLab1_002874 Cc1cc2cc(CNC(=O)CCc3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C15 compound treatment 0.236 -0.00861 -0.43 0.235 -0.00919 -0.5 -0.6572 -0.9964 2067175 IFLab1_002875 Cc1nc2sc(C(N3CCC(O)CC3)c4cccc(F)c4)c(O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C16 compound treatment 0.245 3.87E-4 0.02 0.242 -0.00219 -0.12 -0.0715 -0.5874 2067176 IFLab1_002876 C/C=C\C(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C17 compound treatment 0.249 0.00439 0.22 0.248 0.00381 0.21 0.3008 0.9998 2067177 IFLab1_002877 CN(C)C(CNC(=O)c1cccs1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C18 compound treatment 0.271 0.0264 1.3 0.265 0.0208 1.14 1.7281 0.9978 2067178 IFLab1_002878 CCC(CC)C(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C19 compound treatment 0.239 -0.00561 -0.28 0.237 -0.00719 -0.39 -0.4749 -0.9851 2067179 IFLab1_002879 O=C(CCn1c(=O)oc2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C20 compound treatment 0.262 0.0174 0.86 0.255 0.0108 0.59 1.0261 0.9836 2067180 IFLab1_002880 Cc1cc2cc(CNC(=O)c3ccc4OCOc4c3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C21 compound treatment 0.242 -0.00261 -0.13 0.24 -0.00419 -0.23 -0.2538 -0.9627 2067181 IFLab1_002881 COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C22 compound treatment 0.286 0.0414 2.04 0.251 0.00681 0.37 1.709 0.8226 2067182 IFLab1_002882 Cc1cc2cc(CNC(=O)CCc3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C23 mock treatment 0.234 -0.0106 -0.52 0.238 -0.00619 -0.34 -0.6107 -0.9779 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 C24 mock treatment 0.232 -0.0126 -0.62 0.231 -0.0132 -0.72 -0.9519 -0.9972 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D01 compound treatment 0.244 -6.13E-4 -0.03 0.234 -0.0102 -0.56 -0.4166 -0.7443 2067183 IFLab1_002883 C/C=C\C(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D02 compound treatment 0.245 3.87E-4 0.02 0.243 -0.00119 -0.07 -0.0328 -0.4805 2067184 IFLab1_002884 CCN1CCN(CC1)C(C(C)NC(=O)c2ccc3OCOc3c2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D03 compound treatment 0.238 -0.00661 -0.33 0.234 -0.0102 -0.56 -0.6261 -0.9673 2067185 IFLab1_002885 CCC(CC)C(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D04 compound treatment 0.252 0.00739 0.36 0.242 -0.00219 -0.12 0.1729 0.4501 2067186 IFLab1_002886 CCN1CCN(CC1)C(C(C)NC(=O)c2ccc(cc2)N(C)C)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D05 compound treatment 0.24 -0.00461 -0.23 0.243 -0.00119 -0.07 -0.2073 -0.8749 2067187 IFLab1_002887 C/C=C\C(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D06 compound treatment 0.242 -0.00261 -0.13 0.247 0.00281 0.15 0.0176 0.0875 2067188 IFLab1_002888 CC(NS(=O)(=O)c1ccccc1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D07 compound treatment 0.252 0.00739 0.36 0.25 0.00581 0.32 0.4831 0.9977 2067189 IFLab1_002889 CN(C)S(=O)(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D08 compound treatment 0.255 0.0104 0.51 0.253 0.00881 0.48 0.7041 0.9995 2067190 IFLab1_002890 Cn1cccc1Cc2nnc(SCC(=O)N)n2CCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D09 compound treatment 0.245 3.87E-4 0.02 0.251 0.00681 0.37 0.2774 0.7424 2067191 IFLab1_002891 Cn1c(SCC(=O)N)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D10 compound treatment 0.244 -6.13E-4 -0.03 0.246 0.00181 0.1 0.0486 0.4696 2067192 IFLab1_002892 CCCn1c(nc2ccccc12)C3CN(Cc4ccccc4)C(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D11 compound treatment 0.25 0.00539 0.27 0.252 0.00781 0.43 0.4908 0.9738 2067193 IFLab1_002893 CCSc1nnc(c2c[nH]c3ccccc23)n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D12 compound treatment 0.251 0.00639 0.32 0.246 0.00181 0.1 0.2931 0.8865 1332791 IFLab1_002894 CN1C(=O)CC(Sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D13 compound treatment 0.245 3.87E-4 0.02 0.252 0.00781 0.43 0.3162 0.738 2067194 IFLab1_002895 COCCn1c(SC(C)C)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D14 compound treatment 0.251 0.00639 0.32 0.249 0.00481 0.26 0.4094 0.996 2067195 IFLab1_002896 COc1ccc(cc1OC)C2CC(=O)N(CC(=O)N)c3ccccc3S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D15 compound treatment 0.264 0.0194 0.96 0.262 0.0178 0.98 1.3673 1.0 2067196 IFLab1_002897 COC(=O)C(C)Sc1nnc(c2c[nH]c3ccccc23)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D16 compound treatment 0.253 0.00839 0.41 0.254 0.00981 0.54 0.6731 0.9917 2067197 IFLab1_002898 CCOC(=O)c1[nH]c(C)c(C(=O)NC)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D17 compound treatment 0.257 0.0124 0.61 0.257 0.0128 0.7 0.929 0.9976 2067198 IFLab1_002899 CC(NC(=O)Cc1ccc(F)cc1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D18 compound treatment 0.278 0.0334 1.65 0.258 0.0138 0.76 1.7011 0.9377 2067199 IFLab1_002900 COc1ccccc1NC(=O)c2cccn(OCc3ccccc3)c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D19 compound treatment 0.248 0.00339 0.17 0.249 0.00481 0.26 0.3046 0.9759 2067200 IFLab1_002901 CC(NC(=O)c1c(F)cccc1F)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D20 compound treatment 0.238 -0.00661 -0.33 0.24 -0.00419 -0.23 -0.3935 -0.9853 2067201 IFLab1_002902 CCOc1ccccc1NC(=O)CSc2ncnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D21 compound treatment 0.253 0.00839 0.41 0.249 0.00481 0.26 0.4792 0.9762 2067202 IFLab1_002903 CC(C)OC(=O)NC1(Oc2ccccc2O1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D22 compound treatment 0.232 -0.0126 -0.62 0.229 -0.0152 -0.83 -1.0295 -0.9897 2067203 IFLab1_002904 CC(=O)Nc1cccc(NC(=O)CSc2ncnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D23 mock treatment 0.247 0.00239 0.12 0.246 0.00181 0.1 0.1534 0.9963 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 D24 mock treatment 0.245 3.87E-4 0.02 0.238 -0.00619 -0.34 -0.2266 -0.6662 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E01 compound treatment 0.236 -0.00861 -0.43 0.237 -0.00719 -0.39 -0.5796 -0.9993 2067204 IFLab1_002905 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E02 compound treatment 0.246 0.00139 0.07 0.249 0.00481 0.26 0.2348 0.8622 2067205 IFLab1_002906 O=C(CCn1c(=O)sc2ccccc12)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E03 compound treatment 0.246 0.00139 0.07 0.25 0.00581 0.32 0.2736 0.84 2067206 IFLab1_002907 Cc1cc2ccccc2n1CCNC(=O)C3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E04 compound treatment 0.249 0.00439 0.22 0.251 0.00681 0.37 0.4171 0.9665 2067207 IFLab1_002908 O=C(CCn1c(=O)sc2ccccc12)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E05 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067208 IFLab1_002909 Cc1cc2ccccc2n1CCNC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E06 compound treatment 0.251 0.00639 0.32 0.254 0.00981 0.54 0.6032 0.9677 2067209 IFLab1_002910 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E07 compound treatment 0.249 0.00439 0.22 0.253 0.00881 0.48 0.4946 0.9346 2067210 IFLab1_002911 Cc1cc2ccccc2n1CCNS(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E08 compound treatment 0.261 0.0164 0.81 0.27 0.0258 1.41 1.5727 0.9649 2067211 IFLab1_002912 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E09 compound treatment 0.257 0.0124 0.61 0.256 0.0118 0.65 0.8903 0.9996 2067212 IFLab1_002913 CCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E10 compound treatment 0.251 0.00639 0.32 0.253 0.00881 0.48 0.5645 0.9787 2067213 IFLab1_002914 CCC(CC)C(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E11 compound treatment 0.261 0.0164 0.81 0.258 0.0138 0.76 1.1075 0.9994 2067214 IFLab1_002915 COc1ccc2n(C)c(=NC(=O)CSC(=O)C)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E12 compound treatment 0.27 0.0254 1.25 0.259 0.0148 0.81 1.4605 0.9779 2067215 IFLab1_002916 COc1ccc(/C=C\C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E13 compound treatment 0.266 0.0214 1.06 0.266 0.0218 1.2 1.5922 0.9981 2067216 IFLab1_002917 CCn1c(=NC(=O)CSCC(=O)Nc2nccs2)sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E14 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067217 IFLab1_002918 Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E15 compound treatment 0.254 0.00939 0.46 0.253 0.00881 0.48 0.6692 0.9998 2067218 IFLab1_002919 Cc1nc2sc(C(N3CCOCC3)c4cccc(F)c4)c(O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E16 compound treatment 0.254 0.00939 0.46 0.253 0.00881 0.48 0.6692 0.9998 1987817 IFLab1_002920 Cc1cc2cc(CNC(=O)CCC(=O)O)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E17 compound treatment 0.26 0.0154 0.76 0.258 0.0138 0.76 1.0726 1.0 2067219 IFLab1_002921 COc1ccccc1C(=O)NCC(N(C)C)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E18 compound treatment 0.277 0.0324 1.6 0.257 0.0128 0.7 1.6274 0.9317 2067220 IFLab1_002922 Cc1cc2cc(CNC(=O)C3CC3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E19 compound treatment 0.246 0.00139 0.07 0.247 0.00281 0.15 0.1572 0.9336 2067221 IFLab1_002923 Clc1ccccc1N2CCN(CC2)C(=O)CCn3c(=O)oc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E20 compound treatment 0.251 0.00639 0.32 0.247 0.00281 0.15 0.3318 0.9456 2067222 IFLab1_002924 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc3n(C)c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E21 compound treatment 0.251 0.00639 0.32 0.251 0.00681 0.37 0.4869 0.9965 2067223 IFLab1_002925 CCN(C(=O)CCn1c(=O)oc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E22 compound treatment 0.262 0.0174 0.86 0.258 0.0138 0.76 1.1424 0.998 2067224 IFLab1_002926 Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E23 mock treatment 0.246 0.00139 0.07 0.245 8.06E-4 0.04 0.0797 0.9776 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 E24 mock treatment 0.244 -6.13E-4 -0.03 0.241 -0.00319 -0.18 -0.1452 -0.8172 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F01 compound treatment 0.254 0.00939 0.46 0.247 0.00281 0.15 0.4366 0.8939 2067225 IFLab1_002927 Cc1cc2cc(CNC(=O)CCC(=O)O)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F02 compound treatment 0.248 0.00339 0.17 0.251 0.00681 0.37 0.3822 0.9345 2067226 IFLab1_002928 CCN1CCN(CC1)C(C(C)NC(=O)c2ccc(F)cc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F03 compound treatment 0.247 0.00239 0.12 0.249 0.00481 0.26 0.2697 0.9342 2067227 IFLab1_002929 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F04 compound treatment 0.255 0.0104 0.51 0.252 0.00781 0.43 0.6654 0.996 2067228 IFLab1_002930 CC(C)CC(=O)NC(C)C(N1CCN(CC1)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F05 compound treatment 0.255 0.0104 0.51 0.255 0.0108 0.59 0.7817 0.9974 2067229 IFLab1_002931 OC(=O)CCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F06 compound treatment 0.248 0.00339 0.17 0.256 0.0118 0.65 0.576 0.8615 2067230 IFLab1_002932 CC(NS(=O)(=O)C)C(N1CCN(C)CC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F07 compound treatment 0.266 0.0214 1.06 0.264 0.0198 1.09 1.5147 0.9999 2067231 IFLab1_002933 Cc1cc2cc(CNS(=O)(=O)c3ccc(C)cc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F08 compound treatment 0.259 0.0144 0.71 0.263 0.0188 1.03 1.2315 0.9835 2067232 IFLab1_002934 Cn1cccc1Cc2nnc(SCC(=O)N3CCCCC3)n2c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F09 compound treatment 0.256 0.0114 0.56 0.25 0.00581 0.32 0.6227 0.9637 2067233 IFLab1_002935 Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F10 compound treatment 0.254 0.00939 0.46 0.258 0.0138 0.76 0.8631 0.9723 2067234 IFLab1_002936 COc1ccc(OC)c(c1)N2CC(CC2=O)c3nc4ccccc4n3CC(=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F11 compound treatment 0.254 0.00939 0.46 0.251 0.00681 0.37 0.5917 0.9942 2067235 IFLab1_002937 CCn1c(SCC(=O)N2CCC(C)CC2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F12 compound treatment 0.246 0.00139 0.07 0.245 8.06E-4 0.04 0.0797 0.9776 2067236 IFLab1_002938 CCN1C(=O)CC(Sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F13 compound treatment 0.254 0.00939 0.46 0.259 0.0148 0.81 0.9018 0.9647 2067237 IFLab1_002939 COCCn1c(SCc2ccccc2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F14 compound treatment 0.252 0.00739 0.36 0.248 0.00381 0.21 0.4055 0.9649 2067238 IFLab1_002940 COc1cc(cc(OC)c1OC)C2CC(=O)N(C)c3ccccc3S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F15 compound treatment 0.259 0.0144 0.71 0.258 0.0138 0.76 1.0377 0.9995 2067239 IFLab1_002941 CC(C)C(=O)NC(C)C(N1CCOCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F16 compound treatment 0.251 0.00639 0.32 0.249 0.00481 0.26 0.4094 0.996 2067240 IFLab1_002942 CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F17 compound treatment 0.262 0.0174 0.86 0.261 0.0168 0.92 1.2587 0.9994 2067241 IFLab1_002943 CC(NC(=O)Cc1cccs1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F18 compound treatment 0.313 0.0684 3.38 0.284 0.0398 2.18 3.9313 0.9777 2067242 IFLab1_002944 FC(F)(F)c1ccccc1NC(=O)c2cccn(OCc3ccccc3)c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F19 compound treatment 0.248 0.00339 0.17 0.255 0.0108 0.59 0.5372 0.8726 2067243 IFLab1_002945 COc1ccc(CC(=O)NC(C)C(N2CCN(C)CC2)c3cccs3)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F20 compound treatment 0.295 0.0504 2.49 0.283 0.0388 2.13 3.264 0.997 2067244 IFLab1_002946 CCOc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F21 compound treatment 0.281 0.0364 1.8 0.275 0.0308 1.69 2.4649 0.9995 2067245 IFLab1_002947 S=c1[nH]c(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F22 compound treatment 0.235 -0.00961 -0.47 0.234 -0.0102 -0.56 -0.7309 -0.9967 2067246 IFLab1_002948 CC(=O)Nc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F23 mock treatment 0.249 0.00439 0.22 0.255 0.0108 0.59 0.5722 0.9069 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 F24 mock treatment 0.253 0.00839 0.41 0.247 0.00281 0.15 0.4017 0.9091 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G01 compound treatment 0.24 -0.00461 -0.23 0.243 -0.00119 -0.07 -0.2073 -0.8749 2067247 IFLab1_002949 O=C(NCCn1ccc2ccccc12)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G02 compound treatment 0.252 0.00739 0.36 0.247 0.00281 0.15 0.3667 0.9263 2067248 IFLab1_002950 CC(NC(=O)CCn1c(=O)sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G03 compound treatment 0.245 3.87E-4 0.02 0.245 8.06E-4 0.04 0.0448 0.9296 2067249 IFLab1_002951 Cc1cc2ccccc2n1CCNC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G04 compound treatment 0.251 0.00639 0.32 0.252 0.00781 0.43 0.5257 0.9887 2067250 IFLab1_002952 O=C(CCn1c(=O)sc2ccccc12)NC3=NCCS3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G05 compound treatment 0.251 0.00639 0.32 0.244 -1.94E-4 -0.01 0.2155 0.6829 2067251 IFLab1_002953 CCC(=O)NCCn1c(C)cc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G06 compound treatment 0.248 0.00339 0.17 0.245 8.06E-4 0.04 0.1495 0.8643 2067252 IFLab1_002954 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G07 compound treatment 0.253 0.00839 0.41 0.253 0.00881 0.48 0.6343 0.9971 2067253 IFLab1_002955 Cc1cc(NC(=O)Cc2ccccc2)nc3c4ccccc4oc(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G08 compound treatment 0.271 0.0264 1.3 0.275 0.0308 1.69 2.1158 0.9918 2067254 IFLab1_002956 CN(C)CCNC(=O)c1sc2nc(cn2c1C)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G09 compound treatment 0.257 0.0124 0.61 0.253 0.00881 0.48 0.774 0.9931 2067255 IFLab1_002957 COCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G10 compound treatment 0.249 0.00439 0.22 0.249 0.00481 0.26 0.3395 0.9953 2067256 IFLab1_002958 Cc1cc2cc(CNC(=O)C3CC3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G11 compound treatment 0.254 0.00939 0.46 0.243 -0.00119 -0.07 0.2815 0.6013 2067257 IFLab1_002959 CC(=O)SCC(=O)N=c1sc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G12 compound treatment 0.305 0.0604 2.98 0.293 0.0488 2.68 4.0008 0.9985 2067258 IFLab1_002960 Cc1cc2cc(CNC(=O)/C=C\c3ccc4OCOc4c3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G13 compound treatment 0.248 0.00339 0.17 0.252 0.00781 0.43 0.4209 0.916 2067259 IFLab1_002961 COc1ccc(cc1)C(=O)NCc2nnc(SC/C=C/c3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G14 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067260 IFLab1_002962 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G15 compound treatment 0.251 0.00639 0.32 0.253 0.00881 0.48 0.5645 0.9787 2067261 IFLab1_002963 CN1CCN(CC1)C(c2sc3nc(C)nn3c2O)c4cccc(F)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G16 compound treatment 0.25 0.00539 0.27 0.248 0.00381 0.21 0.3357 0.9928 2067262 IFLab1_002964 CC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G17 compound treatment 0.261 0.0164 0.81 0.249 0.00481 0.26 0.7586 0.8913 2067263 IFLab1_002965 CN(C)C(CNC(=O)c1ccco1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G18 compound treatment 0.267 0.0224 1.11 0.27 0.0258 1.41 1.7822 0.9925 2067264 IFLab1_002966 Cc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G19 compound treatment 0.246 0.00139 0.07 0.249 0.00481 0.26 0.2348 0.8622 2067265 IFLab1_002967 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCn3c(=O)oc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G20 compound treatment 0.293 0.0484 2.39 0.29 0.0458 2.51 3.4655 0.9997 2067266 IFLab1_002968 Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G21 compound treatment 0.251 0.00639 0.32 0.248 0.00381 0.21 0.3706 0.9799 2067267 IFLab1_002969 O=C(CCn1c(=O)oc2ccccc12)N(Cc3ccccc3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G22 compound treatment 0.249 0.00439 0.22 0.258 0.0138 0.76 0.6885 0.8744 2067268 IFLab1_002970 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccc3n(C)c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G23 mock treatment 0.249 0.00439 0.22 0.244 -1.94E-4 -0.01 0.1457 0.6717 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 G24 mock treatment 0.237 -0.00761 -0.38 0.236 -0.00819 -0.45 -0.5835 -0.9961 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H01 compound treatment 0.242 -0.00261 -0.13 0.238 -0.00619 -0.34 -0.3314 -0.9122 2067269 IFLab1_002971 CC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H02 compound treatment 0.246 0.00139 0.07 0.245 8.06E-4 0.04 0.0797 0.9776 2067270 IFLab1_002972 CCN1CCN(CC1)C(C(C)NC(=O)c2c(F)cccc2F)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H03 compound treatment 0.247 0.00239 0.12 0.245 8.06E-4 0.04 0.1146 0.9104 2067271 IFLab1_002973 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)C4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H04 compound treatment 0.252 0.00739 0.36 0.249 0.00481 0.26 0.4443 0.9873 2067272 IFLab1_002974 CC(NC(=O)Cc1cccs1)C(N2CCN(CC2)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H05 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067273 IFLab1_002975 CCCS(=O)(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H06 compound treatment 0.248 0.00339 0.17 0.243 -0.00119 -0.07 0.072 0.4009 2067274 IFLab1_002976 CC(NS(=O)(=O)c1ccccc1)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H07 compound treatment 0.245 3.87E-4 0.02 0.243 -0.00119 -0.07 -0.0328 -0.4805 2067275 IFLab1_002977 CCS(=O)(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H08 compound treatment 0.258 0.0134 0.66 0.259 0.0148 0.81 1.0415 0.9948 2067276 IFLab1_002978 Cn1cccc1Cc2nnc(SCC(=O)N)n2c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H09 compound treatment 0.249 0.00439 0.22 0.252 0.00781 0.43 0.4558 0.9502 2067277 IFLab1_002979 Cn1c(SCC(=O)NC2CCCC2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H10 compound treatment 0.257 0.0124 0.61 0.252 0.00781 0.43 0.7352 0.9848 2067278 IFLab1_002980 CCCCn1c(nc2ccccc12)C3CN(C(=O)C3)c4cc(OC)ccc4OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H11 compound treatment 0.251 0.00639 0.32 0.248 0.00381 0.21 0.3706 0.9799 2067279 IFLab1_002981 CCn1c(SCC(=O)N)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H12 compound treatment 0.255 0.0104 0.51 0.245 8.06E-4 0.04 0.394 0.7652 2067280 IFLab1_002982 CCCN1C(=O)CC(Sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H13 compound treatment 0.281 0.0364 1.8 0.282 0.0378 2.07 2.7363 0.9975 2067281 IFLab1_002983 COc1ccc(cc1)n2c(SC)nnc2c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H14 compound treatment 0.253 0.00839 0.41 0.247 0.00281 0.15 0.4017 0.9091 2067282 IFLab1_002984 CCN1C(=O)CC(Sc2ccccc12)c3cc(OC)c(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H15 compound treatment 0.251 0.00639 0.32 0.257 0.0128 0.7 0.7195 0.9348 2067283 IFLab1_002985 COc1cccc(c1)C(=O)NC(C)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H16 compound treatment 0.249 0.00439 0.22 0.245 8.06E-4 0.04 0.1845 0.8342 2067284 IFLab1_002986 CCCCN(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H17 compound treatment 0.259 0.0144 0.71 0.268 0.0238 1.31 1.4254 0.9591 2067285 IFLab1_002987 CC(NC(=O)c1ccco1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H18 compound treatment 0.289 0.0444 2.19 0.306 0.0618 3.39 3.9462 0.9778 2067286 IFLab1_002988 Cc1ccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H19 compound treatment 0.243 -0.00161 -0.08 0.252 0.00781 0.43 0.2463 0.5658 2067287 IFLab1_002989 CC(NC(=O)Cc1ccc(F)cc1)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H20 compound treatment 0.236 -0.00861 -0.43 0.229 -0.0152 -0.83 -0.8898 -0.9513 2067288 IFLab1_002990 O=C(CSc1ncnc2ccccc12)Nc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H21 compound treatment 0.251 0.00639 0.32 0.259 0.0148 0.81 0.7971 0.9152 1354034 IFLab1_002991 Clc1ccccc1c2nnc(NC(=O)CSC3=NCCS3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H22 compound treatment 0.24 -0.00461 -0.23 0.237 -0.00719 -0.39 -0.44 -0.966 2067289 IFLab1_002992 O=C(CSc1ncnc2ccccc12)NC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H23 mock treatment 0.25 0.00539 0.27 0.255 0.0108 0.59 0.6071 0.9347 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 H24 mock treatment 0.246 0.00139 0.07 0.249 0.00481 0.26 0.2348 0.8622 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I01 compound treatment 0.238 -0.00661 -0.33 0.237 -0.00719 -0.39 -0.5098 -0.9956 2067290 IFLab1_002993 CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I02 compound treatment 0.255 0.0104 0.51 0.253 0.00881 0.48 0.7041 0.9995 2067291 IFLab1_002994 COc1ccc(CCNC(=O)CCn2c(=O)sc3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I03 compound treatment 0.257 0.0124 0.61 0.256 0.0118 0.65 0.8903 0.9996 2067292 IFLab1_002995 Cc1cc2ccccc2n1CCNC(=O)c3ccc(Br)o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I04 compound treatment 0.259 0.0144 0.71 0.253 0.00881 0.48 0.8438 0.9823 2067293 IFLab1_002996 O=C(CCn1c(=O)sc2ccccc12)Nc3ccon3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I05 compound treatment 0.26 0.0154 0.76 0.258 0.0138 0.76 1.0726 1.0 2067294 IFLab1_002997 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCCn2c(C)cc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I06 compound treatment 0.259 0.0144 0.71 0.249 0.00481 0.26 0.6887 0.9089 2067295 IFLab1_002998 CC1CCCCN1C(=O)c2sc3nc(cn3c2C)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I07 compound treatment 0.251 0.00639 0.32 0.25 0.00581 0.32 0.4481 1.0 2067296 IFLab1_002999 Cc1cc(NC(=O)C2CC2)nc3c4ccccc4oc(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I08 compound treatment 0.275 0.0304 1.5 0.274 0.0298 1.63 2.2167 0.9991 2067297 IFLab1_003000 Cc1c(sc2nc(cn12)c3ccc(F)cc3)C(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I09 compound treatment 0.254 0.00939 0.46 0.253 0.00881 0.48 0.6692 0.9998 2067298 IFLab1_003001 CCCn1cc(SCC(=O)N)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I10 compound treatment 0.254 0.00939 0.46 0.251 0.00681 0.37 0.5917 0.9942 2067299 IFLab1_003002 Cc1cc2cc(CNC(=O)C3CCCC3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I11 compound treatment 0.256 0.0114 0.56 0.253 0.00881 0.48 0.739 0.9971 2067300 IFLab1_003003 COc1ccc2n(C)c(=NC(=O)CSCC(=O)NC3CCCCC3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I12 compound treatment 0.262 0.0174 0.86 0.256 0.0118 0.65 1.0649 0.9903 2067301 IFLab1_003004 Cc1cc2cc(CNC(=O)COc3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I13 compound treatment 0.277 0.0324 1.6 0.264 0.0198 1.09 1.8988 0.9822 2067302 IFLab1_003005 Clc1ccc(OCC(=O)NCc2nnc(SC/C=C/c3ccccc3)o2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I14 compound treatment 0.283 0.0384 1.9 0.285 0.0408 2.24 2.9225 0.9966 2067303 IFLab1_003006 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I15 compound treatment 0.252 0.00739 0.36 0.247 0.00281 0.15 0.3667 0.9263 2067304 IFLab1_003007 Cc1nc2sc(C(N3CCC(O)CC3)c4ccc(F)cc4)c(O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I16 compound treatment 0.253 0.00839 0.41 0.252 0.00781 0.43 0.5955 0.9999 2067305 IFLab1_003008 CCC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I17 compound treatment 0.263 0.0184 0.91 0.269 0.0248 1.36 1.6038 0.9807 2067306 IFLab1_003009 CN1CCN(CC1)C(CNS(=O)(=O)c2ccccc2)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I18 compound treatment 0.265 0.0204 1.01 0.269 0.0248 1.36 1.6736 0.989 2067307 IFLab1_003010 Cc1cc2cc(CNC(=O)CC3CCCCC3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I19 compound treatment 0.254 0.00939 0.46 0.246 0.00181 0.1 0.3978 0.8393 2067308 IFLab1_003011 C=CCNC(=O)CCn1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I20 compound treatment 0.255 0.0104 0.51 0.278 0.0338 1.85 1.6734 0.8701 2067309 IFLab1_003012 Cc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I21 compound treatment 0.251 0.00639 0.32 0.258 0.0138 0.76 0.7583 0.9247 1682201 IFLab1_003013 O=C(CCn1c(=O)oc2ccccc12)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I22 compound treatment 0.256 0.0114 0.56 0.256 0.0118 0.65 0.8554 0.9975 2067310 IFLab1_003014 Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I23 mock treatment 0.253 0.00839 0.41 0.258 0.0138 0.76 0.8281 0.9597 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 I24 mock treatment 0.246 0.00139 0.07 0.249 0.00481 0.26 0.2348 0.8622 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J01 compound treatment 0.236 -0.00861 -0.43 0.228 -0.0162 -0.89 -0.9286 -0.9432 2067311 IFLab1_003015 CCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J02 compound treatment 0.246 0.00139 0.07 0.239 -0.00519 -0.28 -0.1529 -0.5221 2067312 IFLab1_003016 CCN1CCN(CC1)C(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J03 compound treatment 0.252 0.00739 0.36 0.249 0.00481 0.26 0.4443 0.9873 2067313 IFLab1_003017 O=C(NCc1ccc2[nH]c3CCCCc3c2c1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J04 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067314 IFLab1_003018 CC(NC(=O)c1ccco1)C(N2CCN(CC2)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J05 compound treatment 0.246 0.00139 0.07 0.25 0.00581 0.32 0.2736 0.84 2067315 IFLab1_003019 CN(C)S(=O)(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J06 compound treatment 0.252 0.00739 0.36 0.242 -0.00219 -0.12 0.1729 0.4501 2067316 IFLab1_003020 CCN1CCN(CC1)C(C(C)NS(=O)(=O)C)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J07 compound treatment 0.25 0.00539 0.27 0.248 0.00381 0.21 0.3357 0.9928 2067317 IFLab1_003021 CN(C)S(=O)(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J08 compound treatment 0.25 0.00539 0.27 0.25 0.00581 0.32 0.4132 0.996 2067318 IFLab1_003022 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3)n2c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J09 compound treatment 0.25 0.00539 0.27 0.251 0.00681 0.37 0.452 0.9862 2067319 IFLab1_003023 Cn1c(SCC(=O)NCc2ccccc2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J10 compound treatment 0.249 0.00439 0.22 0.245 8.06E-4 0.04 0.1845 0.8342 2067320 IFLab1_003024 COc1ccc(Cl)cc1N2CC(CC2=O)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J11 compound treatment 0.24 -0.00461 -0.23 0.248 0.00381 0.21 -0.0135 -0.0437 2067321 IFLab1_003025 CCn1c(SCC(=O)Nc2ccccc2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J12 compound treatment 0.239 -0.00561 -0.28 0.245 8.06E-4 0.04 -0.1647 -0.5869 2067322 IFLab1_003026 O=C(CN1C(=O)CC(Sc2ccccc12)c3ccccc3)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J13 compound treatment 0.295 0.0504 2.49 0.283 0.0388 2.13 3.264 0.997 2067323 IFLab1_003027 CCSc1nnc(c2c[nH]c3ccccc23)n1c4ccc(OC)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J14 compound treatment 0.248 0.00339 0.17 0.245 8.06E-4 0.04 0.1495 0.8643 2067324 IFLab1_003028 CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J15 compound treatment 0.243 -0.00161 -0.08 0.243 -0.00119 -0.07 -0.1026 -0.9952 2067325 IFLab1_003029 COc1ccc(C(=O)NC(C)C(N2CCOCC2)c3cccs3)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J16 compound treatment 0.268 0.0234 1.15 0.263 0.0188 1.03 1.5458 0.9984 2067326 IFLab1_003030 CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(C)cc(C)c2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J17 compound treatment 0.254 0.00939 0.46 0.256 0.0118 0.65 0.7855 0.9866 2067327 IFLab1_003031 CC(NC(=O)c1cccs1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J18 compound treatment 0.25 0.00539 0.27 0.252 0.00781 0.43 0.4908 0.9738 2067328 IFLab1_003032 O=C(Nc1nc2ccccc2s1)c3cccn(OCc4ccccc4)c3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J19 compound treatment 0.245 3.87E-4 0.02 0.251 0.00681 0.37 0.2774 0.7424 2067329 IFLab1_003033 CC(NC(=O)Cc1cccs1)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J20 compound treatment 0.284 0.0394 1.94 0.291 0.0468 2.57 3.19 0.9906 2067330 IFLab1_003034 FC(F)(F)c1ccccc1NC(=O)CSc2ncnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J21 compound treatment 0.251 0.00639 0.32 0.255 0.0108 0.59 0.642 0.9564 2067331 IFLab1_003035 Brc1ccc(cc1)c2nnc(NC(=O)CSC3=NCCS3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J22 compound treatment 0.241 -0.00361 -0.18 0.238 -0.00619 -0.34 -0.3663 -0.9548 2067332 IFLab1_003036 O=C(CSc1ncnc2ccccc12)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J23 mock treatment 0.248 0.00339 0.17 0.247 0.00281 0.15 0.2271 0.9991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 J24 mock treatment 0.244 -6.13E-4 -0.03 0.241 -0.00319 -0.18 -0.1452 -0.8172 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K01 compound treatment 0.243 -0.00161 -0.08 0.23 -0.0142 -0.78 -0.6066 -0.7754 2067333 IFLab1_003037 CCOc1ccc(CC(=O)NCCn2ccc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K02 compound treatment 0.249 0.00439 0.22 0.249 0.00481 0.26 0.3395 0.9953 2067334 IFLab1_003038 CC(CCc1ccccc1)NC(=O)CCn2c(=O)sc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K03 compound treatment 0.25 0.00539 0.27 0.251 0.00681 0.37 0.452 0.9862 2067335 IFLab1_003039 CC(=O)NCCn1c(C)cc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K04 compound treatment 0.253 0.00839 0.41 0.253 0.00881 0.48 0.6343 0.9971 2067336 IFLab1_003040 Cc1cc(NC(=O)CCn2c(=O)sc3ccccc23)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K05 compound treatment 0.253 0.00839 0.41 0.247 0.00281 0.15 0.4017 0.9091 2067337 IFLab1_003041 Cc1cc2ccccc2n1CCNC(=O)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K06 compound treatment 0.255 0.0104 0.51 0.247 0.00281 0.15 0.4715 0.8805 2067338 IFLab1_003042 CC1CN(CC(C)O1)C(=O)c2sc3nc(cn3c2C)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K07 compound treatment 0.25 0.00539 0.27 0.247 0.00281 0.15 0.2969 0.9661 2067339 IFLab1_003043 Cc1cc(NC(=O)C2CCCC2)nc3c4ccccc4oc(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K08 compound treatment 0.254 0.00939 0.46 0.259 0.0148 0.81 0.9018 0.9647 2067340 IFLab1_003044 CC(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K09 compound treatment 0.263 0.0184 0.91 0.252 0.00781 0.43 0.9447 0.9411 2067341 IFLab1_003045 NC(=O)CSc1cn(Cc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K10 compound treatment 0.255 0.0104 0.51 0.249 0.00481 0.26 0.549 0.9521 2067342 IFLab1_003046 Cc1cc2cc(CNC(=O)CC3CCCCC3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K11 compound treatment 0.25 0.00539 0.27 0.25 0.00581 0.32 0.4132 0.996 2067343 IFLab1_003047 COc1ccc2n(C)c(=NC(=O)CSCC(=O)N3CCc4ccccc34)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K12 compound treatment 0.25 0.00539 0.27 0.252 0.00781 0.43 0.4908 0.9738 2067344 IFLab1_003048 CC(Oc1ccccc1)C(=O)NCc2ccc3[nH]c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K13 compound treatment 0.259 0.0144 0.71 0.254 0.00981 0.54 0.8826 0.9906 2067345 IFLab1_003049 Fc1ccccc1C(=O)NCc2nnc(SC/C=C/c3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K14 compound treatment 0.265 0.0204 1.01 0.259 0.0148 0.81 1.2859 0.9943 2067346 IFLab1_003050 Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K15 compound treatment 0.254 0.00939 0.46 0.253 0.00881 0.48 0.6692 0.9998 2067347 IFLab1_003051 CN1CCN(CC1)C(c2sc3nc(C)nn3c2O)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K16 compound treatment 0.258 0.0134 0.66 0.249 0.00481 0.26 0.6538 0.9187 2067348 IFLab1_003052 CCCC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K17 compound treatment 0.254 0.00939 0.46 0.255 0.0108 0.59 0.7467 0.9926 2067349 IFLab1_003053 O=S(=O)(NCC(N1CCOCC1)c2cccnc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K18 compound treatment 0.274 0.0294 1.45 0.288 0.0438 2.4 2.7245 0.9709 2067350 IFLab1_003054 Cc1cc2cc(CNC(=O)CCC3CCCC3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K19 compound treatment 0.247 0.00239 0.12 0.243 -0.00119 -0.07 0.0371 0.275 2067351 IFLab1_003055 O=C(CCn1c(=O)oc2ccccc12)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K20 compound treatment 0.25 0.00539 0.27 0.242 -0.00219 -0.12 0.1031 0.353 2067352 IFLab1_003056 CC(Oc1ccccc1)C(=O)NCc2ccc3n(C)c(C)cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K21 compound treatment 0.245 3.87E-4 0.02 0.25 0.00581 0.32 0.2386 0.7482 2067353 IFLab1_003057 O=C(CCn1c(=O)oc2ccccc12)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K22 compound treatment 0.254 0.00939 0.46 0.248 0.00381 0.21 0.4754 0.9351 2067354 IFLab1_003058 Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K23 mock treatment 0.249 0.00439 0.22 0.25 0.00581 0.32 0.3783 0.9824 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 K24 mock treatment 0.251 0.00639 0.32 0.253 0.00881 0.48 0.5645 0.9787 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L01 compound treatment 0.249 0.00439 0.22 0.24 -0.00419 -0.23 -0.0094 -0.0297 2067355 IFLab1_003059 CCCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L02 compound treatment 0.246 0.00139 0.07 0.245 8.06E-4 0.04 0.0797 0.9776 2067356 IFLab1_003060 CCN1CCN(CC1)C(C(C)NC(=O)Cc2ccc(F)cc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L03 compound treatment 0.269 0.0244 1.2 0.268 0.0238 1.31 1.7745 0.9992 2067357 IFLab1_003061 O=C(COc1ccccc1)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L04 compound treatment 0.246 0.00139 0.07 0.247 0.00281 0.15 0.1572 0.9336 2067358 IFLab1_003062 CC(NC(=O)c1ccncc1)C(N2CCN(CC2)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L05 compound treatment 0.265 0.0204 1.01 0.253 0.00881 0.48 1.0533 0.9434 2067359 IFLab1_003063 Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L06 compound treatment 0.251 0.00639 0.32 0.252 0.00781 0.43 0.5257 0.9887 2067360 IFLab1_003064 CCN1CCN(CC1)C(C(C)NS(=O)(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L07 compound treatment 0.316 0.0714 3.53 0.315 0.0708 3.88 5.2379 0.9988 2067361 IFLab1_003065 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L08 compound treatment 0.257 0.0124 0.61 0.256 0.0118 0.65 0.8903 0.9996 2067362 IFLab1_003066 Cc1ccc(N2CC(CC2=O)c3nc4ccccc4[nH]3)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L09 compound treatment 0.283 0.0384 1.9 0.258 0.0138 0.76 1.8757 0.9189 2067363 IFLab1_003067 Cn1c(SCc2ccccc2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L10 compound treatment 0.25 0.00539 0.27 0.245 8.06E-4 0.04 0.2194 0.8135 2067364 IFLab1_003068 CSc1nnc(Cn2c(=O)sc3ccccc23)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L11 compound treatment 0.252 0.00739 0.36 0.25 0.00581 0.32 0.4831 0.9977 2067365 IFLab1_003069 CCn1c(SCC(=O)NC2CCCC2)nnc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L12 compound treatment 0.244 -6.13E-4 -0.03 0.243 -0.00119 -0.07 -0.0677 -0.9386 2067366 IFLab1_003070 O=C(CN1C(=O)CC(Sc2ccccc12)c3ccccc3)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L13 compound treatment 0.264 0.0194 0.96 0.257 0.0128 0.7 1.1735 0.9884 2067367 IFLab1_003071 CCOc1ccc(cc1)n2c(SC)nnc2c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L14 compound treatment 0.243 -0.00161 -0.08 0.247 0.00281 0.15 0.0525 0.3029 2067368 IFLab1_003072 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCCCC2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L15 compound treatment 0.246 0.00139 0.07 0.252 0.00781 0.43 0.3511 0.81 2067369 IFLab1_003073 CC(NC(=O)c1ccc2OCOc2c1)C(N3CCOCC3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L16 compound treatment 0.254 0.00939 0.46 0.248 0.00381 0.21 0.4754 0.9351 2067370 IFLab1_003074 CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)c(C)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L17 compound treatment 0.261 0.0164 0.81 0.262 0.0178 0.98 1.2626 0.9956 2067371 IFLab1_003075 CC(NC(=O)Oc1ccccc1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L18 compound treatment 0.26 0.0154 0.76 0.273 0.0288 1.58 1.6541 0.9437 2067372 IFLab1_003076 Cc1csc(NC(=O)c2cccn(OCc3ccccc3)c2=O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L19 compound treatment 0.25 0.00539 0.27 0.247 0.00281 0.15 0.2969 0.9661 2067373 IFLab1_003077 CC(NC(=O)c1ccco1)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L20 compound treatment 0.252 0.00739 0.36 0.248 0.00381 0.21 0.4055 0.9649 2067374 IFLab1_003078 FC(F)(F)c1ccc(Cl)c(NC(=O)CSc2ncnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L21 compound treatment 0.262 0.0174 0.86 0.261 0.0168 0.92 1.2587 0.9994 1355836 IFLab1_003079 COc1ccccc1c2nnc(NC(=O)CSC3=NCCS3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L22 compound treatment 0.242 -0.00261 -0.13 0.243 -0.00119 -0.07 -0.1375 -0.9505 2067375 IFLab1_003080 O=C(CSc1ncnc2ccccc12)NCc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L23 mock treatment 0.252 0.00739 0.36 0.255 0.0108 0.59 0.6769 0.9729 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 L24 mock treatment 0.25 0.00539 0.27 0.248 0.00381 0.21 0.3357 0.9928 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M01 compound treatment 0.243 -0.00161 -0.08 0.242 -0.00219 -0.12 -0.1414 -0.98 2067376 IFLab1_003081 O=C(NCCn1ccc2ccccc12)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M02 compound treatment 0.248 0.00339 0.17 0.247 0.00281 0.15 0.2271 0.9991 2067377 IFLab1_003082 O=C(CCn1c(=O)sc2ccccc12)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M03 compound treatment 0.244 -6.13E-4 -0.03 0.247 0.00281 0.15 0.0874 0.5573 2067378 IFLab1_003083 Cc1cc2ccccc2n1CCNC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M04 compound treatment 0.244 -6.13E-4 -0.03 0.248 0.00381 0.21 0.1262 0.5983 2067379 IFLab1_003084 Cc1nnc(NC(=O)CCn2c(=O)sc3ccccc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M05 compound treatment 0.251 0.00639 0.32 0.243 -0.00119 -0.07 0.1767 0.5487 2067380 IFLab1_003085 O=S(=O)(NCCn1ccc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M06 compound treatment 0.256 0.0114 0.56 0.256 0.0118 0.65 0.8554 0.9975 2067381 IFLab1_003086 COC(CNC(=O)c1sc2nc(cn2c1C)c3ccccc3)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M07 compound treatment 0.248 0.00339 0.17 0.247 0.00281 0.15 0.2271 0.9991 2067382 IFLab1_003087 CC(C)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M08 compound treatment 0.247 0.00239 0.12 0.256 0.0118 0.65 0.5411 0.8223 2067383 IFLab1_003088 CCC(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M09 compound treatment 0.247 0.00239 0.12 0.249 0.00481 0.26 0.2697 0.9342 2067384 IFLab1_003089 O=C(CSc1c[nH]c2ccccc12)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M10 compound treatment 0.244 -6.13E-4 -0.03 0.243 -0.00119 -0.07 -0.0677 -0.9386 2067385 IFLab1_003090 Cc1cc2cc(CNC(=O)CCC3CCCC3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M11 compound treatment 0.243 -0.00161 -0.08 0.249 0.00481 0.26 0.13 0.4723 2067386 IFLab1_003091 COc1ccc2n(C)c(=NC(=O)CSCC(=O)N3CCCc4ccccc34)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M12 compound treatment 0.25 0.00539 0.27 0.247 0.00281 0.15 0.2969 0.9661 2067387 IFLab1_003092 Cc1cc2cc(CNC(=O)Cc3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M13 compound treatment 0.258 0.0134 0.66 0.247 0.00281 0.15 0.5763 0.849 2067388 IFLab1_003093 O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M14 compound treatment 0.247 0.00239 0.12 0.245 8.06E-4 0.04 0.1146 0.9104 1628828 IFLab1_003094 Cc1cc2cc(CNC(=O)c3ccco3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M15 compound treatment 0.243 -0.00161 -0.08 0.248 0.00381 0.21 0.0913 0.4085 2067389 IFLab1_003095 CC1CCN(CC1)C(c2cccs2)c3sc4nc(C)nn4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M16 compound treatment 0.247 0.00239 0.12 0.248 0.00381 0.21 0.2309 0.9634 2067390 IFLab1_003096 CC(C)C(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M17 compound treatment 0.253 0.00839 0.41 0.252 0.00781 0.43 0.5955 0.9999 2067391 IFLab1_003097 CCN(CC)C(=O)CCn1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M18 compound treatment 0.252 0.00739 0.36 0.248 0.00381 0.21 0.4055 0.9649 2067392 IFLab1_003098 COCC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M19 compound treatment 0.248 0.00339 0.17 0.249 0.00481 0.26 0.3046 0.9759 2067393 IFLab1_003099 CC(NC(=O)CCn1c(=O)oc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M20 compound treatment 0.278 0.0334 1.65 0.297 0.0528 2.9 3.2131 0.9644 2067394 IFLab1_003100 Cc1cc2cc(CNC(=O)Cc3ccccc3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M21 compound treatment 0.244 -6.13E-4 -0.03 0.246 0.00181 0.1 0.0486 0.4696 2067395 IFLab1_003101 O=C(CCn1c(=O)oc2ccccc12)NC3=NCCS3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M22 compound treatment 0.271 0.0264 1.3 0.279 0.0348 1.91 2.2708 0.9827 2067396 IFLab1_003102 Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M23 mock treatment 0.245 3.87E-4 0.02 0.244 -1.94E-4 -0.01 0.006 0.275 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 M24 mock treatment 0.245 3.87E-4 0.02 0.247 0.00281 0.15 0.1223 0.7889 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N01 compound treatment 0.238 -0.00661 -0.33 0.242 -0.00219 -0.12 -0.316 -0.9079 2067397 IFLab1_003103 CC(C)C(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N02 compound treatment 0.239 -0.00561 -0.28 0.238 -0.00619 -0.34 -0.4361 -0.9949 2067398 IFLab1_003104 CCN1CCN(CC1)C(C(C)NC(=O)Cc2cccs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N03 compound treatment 0.254 0.00939 0.46 0.249 0.00481 0.26 0.5141 0.9642 2067399 IFLab1_003105 O=C(Cc1ccccc1)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N04 compound treatment 0.242 -0.00261 -0.13 0.24 -0.00419 -0.23 -0.2538 -0.9627 2067400 IFLab1_003106 CC(NC(=O)Oc1ccccc1)C(N2CCN(CC2)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N05 compound treatment 0.247 0.00239 0.12 0.245 8.06E-4 0.04 0.1146 0.9104 2067401 IFLab1_003107 Cc1cc2cc(CNS(=O)(=O)C)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N06 compound treatment 0.244 -6.13E-4 -0.03 0.244 -1.94E-4 -0.01 -0.0289 -0.9012 2067402 IFLab1_003108 CC(NS(=O)(=O)C)C(N1CCN(CC1)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N07 compound treatment 0.24 -0.00461 -0.23 0.243 -0.00119 -0.07 -0.2073 -0.8749 2067403 IFLab1_003109 CSc1nnc(c2c[nH]c3ccccc23)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N08 compound treatment 0.252 0.00739 0.36 0.248 0.00381 0.21 0.4055 0.9649 2067404 IFLab1_003110 O=C1CC(CN1Cc2ccccc2)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N09 compound treatment 0.233 -0.0116 -0.57 0.247 0.00281 0.15 -0.2967 -0.4997 2067405 IFLab1_003111 COC(=O)CSc1nnc(c2c[nH]c3ccccc23)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N10 compound treatment 0.244 -6.13E-4 -0.03 0.245 8.06E-4 0.04 0.0099 0.1841 2067406 IFLab1_003112 Cn1c(Cn2c(=O)sc3ccccc23)nnc1SC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N11 compound treatment 0.246 0.00139 0.07 0.239 -0.00519 -0.28 -0.1529 -0.5221 2067407 IFLab1_003113 CCn1c(SCC(=O)OC)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N12 compound treatment 0.234 -0.0106 -0.52 0.243 -0.00119 -0.07 -0.4169 -0.7893 2067408 IFLab1_003114 O=C(CN1C(=O)CC(Sc2ccccc12)c3ccccc3)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N13 compound treatment 0.25 0.00539 0.27 0.243 -0.00119 -0.07 0.1418 0.5177 2067409 IFLab1_003115 CSc1nnc(c2c[nH]c3ccccc23)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N14 compound treatment 0.231 -0.0136 -0.67 0.245 8.06E-4 0.04 -0.4441 -0.6592 2067410 IFLab1_003116 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCCC2C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N15 compound treatment 0.251 0.00639 0.32 0.247 0.00281 0.15 0.3318 0.9456 2067411 IFLab1_003117 CC(NC(=O)c1ccc(F)cc1)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N16 compound treatment 0.245 3.87E-4 0.02 0.244 -1.94E-4 -0.01 0.006 0.275 2067412 IFLab1_003118 CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2)c(C)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N17 compound treatment 0.247 0.00239 0.12 0.247 0.00281 0.15 0.1922 0.9913 2067413 IFLab1_003119 CC(C)C(=O)NC(C)C(N1CCN(C)CC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N18 compound treatment 0.234 -0.0106 -0.52 0.237 -0.00719 -0.39 -0.6495 -0.9902 2067414 IFLab1_003120 O=C(CSc1ncnc2ccccc12)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N19 compound treatment 0.247 0.00239 0.12 0.249 0.00481 0.26 0.2697 0.9342 2067415 IFLab1_003121 CC(NC(=O)c1cccs1)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N20 compound treatment 0.239 -0.00561 -0.28 0.235 -0.00919 -0.5 -0.5524 -0.9603 2067416 IFLab1_003122 CCOC(=O)c1ccccc1NC(=O)CSc2ncnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N21 compound treatment 0.27 0.0254 1.25 0.272 0.0278 1.52 1.9645 0.9953 2067417 IFLab1_003123 Cc1cc(C)c(c2nnc(NC(=O)CSC3=NCCS3)s2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N22 compound treatment 0.24 -0.00461 -0.23 0.235 -0.00919 -0.5 -0.5175 -0.9356 2067418 IFLab1_003124 O=C(CSc1ncnc2ccccc12)NCC3CCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N23 mock treatment 0.248 0.00339 0.17 0.245 8.06E-4 0.04 0.1495 0.8643 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 N24 mock treatment 0.236 -0.00861 -0.43 0.232 -0.0122 -0.67 -0.7735 -0.9762 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O01 compound treatment 0.238 -0.00661 -0.33 0.236 -0.00819 -0.45 -0.5486 -0.9877 2067419 IFLab1_003125 Cc1cc2ccccc2n1CCNC(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O02 compound treatment 0.254 0.00939 0.46 0.253 0.00881 0.48 0.6692 0.9998 2067420 IFLab1_003126 COc1ccccc1NC(=O)CCn2c(=O)sc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O03 compound treatment 0.236 -0.00861 -0.43 0.247 0.00281 0.15 -0.1919 -0.4244 2067421 IFLab1_003127 CC(C)C(=O)NCCn1c(C)cc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O04 compound treatment 0.25 0.00539 0.27 0.248 0.00381 0.21 0.3357 0.9928 2067422 IFLab1_003128 CC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O05 compound treatment 0.245 3.87E-4 0.02 0.247 0.00281 0.15 0.1223 0.7889 2067423 IFLab1_003129 COc1ccc(cc1)S(=O)(=O)NCCn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O06 compound treatment 0.257 0.0124 0.61 0.257 0.0128 0.7 0.929 0.9976 2067424 IFLab1_003130 Cc1c(sc2nc(cn12)c3ccccc3)C(=O)NCCN4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O07 compound treatment 0.242 -0.00261 -0.13 0.241 -0.00319 -0.18 -0.2151 -0.9887 2067425 IFLab1_003131 CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O08 compound treatment 0.255 0.0104 0.51 0.257 0.0128 0.7 0.8592 0.9881 2067426 IFLab1_003132 CC(C)C(=O)NCc1ccc2[nH]c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O09 compound treatment 0.244 -6.13E-4 -0.03 0.239 -0.00519 -0.28 -0.2228 -0.7779 2067427 IFLab1_003133 CCOC(=O)C1C(CC(=CC1=O)c2ccco2)c3ccc(cc3)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O10 compound treatment 0.242 -0.00261 -0.13 0.243 -0.00119 -0.07 -0.1375 -0.9505 2067428 IFLab1_003134 Cc1cc2cc(CNC(=O)c3ccccc3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O11 compound treatment 0.237 -0.00761 -0.38 0.244 -1.94E-4 -0.01 -0.2733 -0.7268 2067429 IFLab1_003135 CCn1c(=NC(=O)CSCC(=O)N2CCN(CC2)c3ccccc3)sc4cc(F)ccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O12 compound treatment 0.251 0.00639 0.32 0.245 8.06E-4 0.04 0.2543 0.7984 2067430 IFLab1_003136 CCC(C(=O)NCc1ccc2[nH]c(C)cc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O13 compound treatment 0.25 0.00539 0.27 0.242 -0.00219 -0.12 0.1031 0.353 2067431 IFLab1_003137 O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O14 compound treatment 0.246 0.00139 0.07 0.241 -0.00319 -0.18 -0.0754 -0.4009 2067432 IFLab1_003138 Cc1cc2cc(CNC(=O)c3cccs3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O15 compound treatment 0.243 -0.00161 -0.08 0.243 -0.00119 -0.07 -0.1026 -0.9952 2067433 IFLab1_003139 CC1CC(C)CN(C1)C(c2cccs2)c3sc4nc(C)nn4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O16 compound treatment 0.256 0.0114 0.56 0.245 8.06E-4 0.04 0.4289 0.7604 2067434 IFLab1_003140 CCCCC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O17 compound treatment 0.242 -0.00261 -0.13 0.243 -0.00119 -0.07 -0.1375 -0.9505 2067435 IFLab1_003141 CCCN(CCC)C(=O)CCn1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O18 compound treatment 0.251 0.00639 0.32 0.248 0.00381 0.21 0.3706 0.9799 2067436 IFLab1_003142 CCOCC(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O19 compound treatment 0.239 -0.00561 -0.28 0.239 -0.00519 -0.28 -0.3973 -0.9999 2067437 IFLab1_003143 O=C(CCn1c(=O)oc2ccccc12)NCc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O20 compound treatment 0.291 0.0464 2.29 0.287 0.0428 2.35 3.2794 0.9999 2067438 IFLab1_003144 CCC(C(=O)NCc1ccc2n(C)c(C)cc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O21 compound treatment 0.239 -0.00561 -0.28 0.229 -0.0152 -0.83 -0.7851 -0.8942 2067439 IFLab1_003145 O=C(CCn1c(=O)sc2ccccc12)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O22 compound treatment 0.245 3.87E-4 0.02 0.252 0.00781 0.43 0.3162 0.738 2067440 IFLab1_003146 Cc1cc2cc(CNC(=O)c3cc4ccccc4oc3=O)ccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O23 mock treatment 0.245 3.87E-4 0.02 0.247 0.00281 0.15 0.1223 0.7889 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 O24 mock treatment 0.231 -0.0136 -0.67 0.232 -0.0122 -0.67 -0.9481 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P01 compound treatment 0.236 -0.00861 -0.43 0.21 -0.0342 -1.87 -1.6264 -0.846 2067441 IFLab1_003147 CCCCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P02 compound treatment 0.245 3.87E-4 0.02 0.232 -0.0122 -0.67 -0.4592 -0.6866 2067442 IFLab1_003148 CCN1CCN(CC1)C(C(C)NC(=O)c2ccco2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P03 compound treatment 0.248 0.00339 0.17 0.242 -0.00219 -0.12 0.0332 0.1613 2067443 IFLab1_003149 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccc3[nH]c4CCCCc4c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P04 compound treatment 0.244 -6.13E-4 -0.03 0.244 -1.94E-4 -0.01 -0.0289 -0.9012 2067444 IFLab1_003150 CC(NC(=O)c1cccs1)C(N2CCN(Cc3ccccc3)CC2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P05 compound treatment 0.245 3.87E-4 0.02 0.244 -1.94E-4 -0.01 0.006 0.275 2067445 IFLab1_003151 CCS(=O)(=O)NCc1ccc2n(C)c(C)cc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P06 compound treatment 0.249 0.00439 0.22 0.245 8.06E-4 0.04 0.1845 0.8342 2067446 IFLab1_003152 CC(NS(=O)(=O)c1ccccc1)C(N2CCN(CC2)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P07 compound treatment 0.249 0.00439 0.22 0.247 0.00281 0.15 0.262 0.986 2067447 IFLab1_003153 Cn1c(SCC=C)nnc1c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P08 compound treatment 0.252 0.00739 0.36 0.248 0.00381 0.21 0.4055 0.9649 2067448 IFLab1_003154 Cn1c(nc2ccccc12)C3CN(Cc4ccccc4)C(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P09 compound treatment 0.248 0.00339 0.17 0.25 0.00581 0.32 0.3434 0.9548 2067449 IFLab1_003155 CCOC(=O)C(CC)Sc1nnc(c2c[nH]c3ccccc23)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P10 compound treatment 0.243 -0.00161 -0.08 0.244 -1.94E-4 -0.01 -0.0638 -0.7943 2067450 IFLab1_003156 CSc1nnc(Cn2c(=O)sc3ccccc23)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P11 compound treatment 0.247 0.00239 0.12 0.245 8.06E-4 0.04 0.1146 0.9104 2067451 IFLab1_003157 CCC(Sc1nnc(c2c[nH]c3ccccc23)n1CC)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P12 compound treatment 0.244 -6.13E-4 -0.03 0.243 -0.00119 -0.07 -0.0677 -0.9386 2067452 IFLab1_003158 O=C(CN1C(=O)CC(Sc2ccccc12)c3ccccc3)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P13 compound treatment 0.244 -6.13E-4 -0.03 0.249 0.00481 0.26 0.1649 0.6218 2067453 IFLab1_003159 NC(=O)CSc1nnc(c2c[nH]c3ccccc23)n1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P14 compound treatment 0.245 3.87E-4 0.02 0.247 0.00281 0.15 0.1223 0.7889 2067454 IFLab1_003160 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P15 compound treatment 0.252 0.00739 0.36 0.25 0.00581 0.32 0.4831 0.9977 2067455 IFLab1_003161 CC(NC(=O)c1c(F)cccc1F)C(N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P16 compound treatment 0.255 0.0104 0.51 0.245 8.06E-4 0.04 0.394 0.7652 2067456 IFLab1_003162 CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)c(C)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P17 compound treatment 0.248 0.00339 0.17 0.257 0.0128 0.7 0.6148 0.8517 2067457 IFLab1_003163 COc1ccccc1C(=O)NC(C)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P18 compound treatment 0.254 0.00939 0.46 0.242 -0.00219 -0.12 0.2427 0.5069 2067458 IFLab1_003164 O=C(CSc1ncnc2ccccc12)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P19 compound treatment 0.248 0.00339 0.17 0.248 0.00381 0.21 0.2658 0.994 2067459 IFLab1_003165 CC(NC(=O)c1ccc(cc1)N(C)C)C(N2CCN(C)CC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P20 compound treatment 0.242 -0.00261 -0.13 0.237 -0.00719 -0.39 -0.3701 -0.8919 2067460 IFLab1_003166 CCOC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P21 compound treatment 0.245 3.87E-4 0.02 0.24 -0.00419 -0.23 -0.1491 -0.6461 2067461 IFLab1_003167 CCSc1nnc(NC(=O)CSC2=NCCS2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P22 compound treatment 0.244 -6.13E-4 -0.03 0.245 8.06E-4 0.04 0.0099 0.1841 2067462 IFLab1_003168 CCOC(=O)C1CCN(CC1)C(=O)c2sc3nc(cn3c2C)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P23 mock treatment 0.239 -0.00561 -0.28 0.24 -0.00419 -0.23 -0.3586 -0.9957 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1420 P24 mock treatment 0.238 -0.00661 -0.33 0.23 -0.0142 -0.78 -0.7812 -0.9256 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A01 compound treatment 0.196 -0.0493 -2.44 0.191 -0.0555 -3.05 -3.8759 -0.9939 2067463 IFLab1_003169 O=C(CSc1ncnc2ccccc12)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A02 compound treatment 0.191 -0.0543 -2.68 0.221 -0.0255 -1.4 -2.8874 -0.9541 1707401 IFLab1_003170 Cc1nc2c(ccc3nc(NC(=O)C4CC4)sc32)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A03 compound treatment 0.23 -0.0153 -0.76 0.228 -0.0185 -1.02 -1.2542 -0.9894 2067464 IFLab1_003171 Cc1ccc(C)c(CSc2ncnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A04 compound treatment 0.219 -0.0263 -1.3 0.209 -0.0375 -2.06 -2.3749 -0.9754 1243518 IFLab1_003172 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCNC(=O)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A05 compound treatment 0.216 -0.0293 -1.45 0.218 -0.0285 -1.57 -2.1307 -0.9992 2067465 IFLab1_003173 Fc1ccc(cc1)c2nnc3ccc(SCC(=O)OCc4ccccc4)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A06 compound treatment 0.232 -0.0133 -0.66 0.229 -0.0175 -0.96 -1.1456 -0.9828 2067466 IFLab1_003174 N#CC(=C(/C=C/c1ccccc1)C2CC2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A07 compound treatment 0.237 -0.00832 -0.41 0.233 -0.0135 -0.74 -0.8159 -0.961 1486765 IFLab1_003175 CCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A08 compound treatment 0.271 0.0257 1.27 0.268 0.0215 1.18 1.7283 0.9993 1453180 IFLab1_003176 Cc1ccc2nc(NCCO)nc(c3ccccc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A09 compound treatment 0.244 -0.00132 -0.07 0.242 -0.00455 -0.25 -0.2225 -0.8632 1125483 IFLab1_003177 CC(C)c1cc(NS(=O)(=O)c2ccccc2)c(C)cc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A10 compound treatment 0.24 -0.00532 -0.26 0.239 -0.00755 -0.41 -0.4785 -0.976 1290154 IFLab1_003178 O=C(N1CCN(CC1)c2ccccc2)C3(CC3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A11 compound treatment 0.237 -0.00832 -0.41 0.237 -0.00955 -0.52 -0.6608 -0.9928 1449642 IFLab1_003179 COc1ccc(NC(=O)c2csc3CCCCc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A12 compound treatment 0.249 0.00368 0.18 0.245 -0.00155 -0.08 0.0684 0.3411 2067467 IFLab1_003180 Cc1ccc(o1)c2csc(NC(=O)/C=C/c3ccccc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A13 compound treatment 0.244 -0.00132 -0.07 0.246 -5.48E-4 -0.03 -0.0674 -0.938 1682012 IFLab1_003181 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A14 compound treatment 0.234 -0.0113 -0.56 0.24 -0.00655 -0.36 -0.6492 -0.9771 1382951 IFLab1_003182 COC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A15 compound treatment 0.241 -0.00432 -0.21 0.239 -0.00755 -0.41 -0.4436 -0.9526 2067468 IFLab1_003183 Clc1cc(C(=O)Nc2ccc3OCOc3c2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A16 compound treatment 0.235 -0.0103 -0.51 0.236 -0.0105 -0.58 -0.7694 -0.998 1506201 IFLab1_003184 COc1cc(C)c2c(=O)c(Oc3ccccc3)c(C)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A17 compound treatment 0.234 -0.0113 -0.56 0.241 -0.00555 -0.3 -0.6105 -0.9591 1429516 IFLab1_003185 CC1CCCN(CC(O)COCc2ccc3OCOc3c2)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A18 compound treatment 0.224 -0.0213 -1.05 0.227 -0.0195 -1.07 -1.5024 -1.0 2067469 IFLab1_003186 Fc1ccc(cc1)c2csc3nc[nH]c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A19 compound treatment 0.252 0.00668 0.33 0.253 0.00645 0.35 0.4833 0.9994 1692215 IFLab1_003187 OC(COc1ccc(Cl)cc1)CN2CCC(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A20 compound treatment 0.224 -0.0213 -1.05 0.22 -0.0265 -1.46 -1.7738 -0.9874 1726881 IFLab1_003188 C1Cc2sc3ncnc(N4CCCCC4)c3c2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A21 compound treatment 0.22 -0.0253 -1.25 0.234 -0.0125 -0.69 -1.3707 -0.9604 1983497 IFLab1_003189 Brc1ccccc1C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A22 compound treatment 0.218 -0.0273 -1.35 0.219 -0.0275 -1.51 -2.0221 -0.9984 1308511 IFLab1_003190 O=S(=O)(Nc1cccnc1)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A23 mock treatment 0.232 -0.0133 -0.66 0.241 -0.00555 -0.3 -0.6803 -0.9386 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 A24 mock treatment 0.18 -0.0653 -3.23 0.194 -0.0525 -2.88 -4.3183 -0.9984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B01 compound treatment 0.22 -0.0253 -1.25 0.227 -0.0195 -1.07 -1.6421 -0.9971 2067470 IFLab1_003191 COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B02 compound treatment 0.25 0.00468 0.23 0.242 -0.00455 -0.25 -0.013 -0.0383 2067471 IFLab1_003192 CC(=O)Nc1ccc(N/C=C(/C#N)\c2nc(cs2)c3ccc(Cl)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B03 compound treatment 0.255 0.00968 0.48 0.255 0.00845 0.46 0.6656 0.9999 2067472 IFLab1_003193 CCc1nc2sc3CCCc3c2c4nncn14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B04 compound treatment 0.291 0.0457 2.26 0.291 0.0445 2.44 3.3184 0.9993 2067473 IFLab1_003194 CCOC(=O)CCN1C(=O)/C(=C\c2cccs2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B05 compound treatment 0.257 0.0117 0.58 0.258 0.0115 0.63 0.8517 0.9991 1355776 IFLab1_003195 CC1CN(CC(C)O1)c2nc(C)nc3sc4CCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B06 compound treatment 0.252 0.00668 0.33 0.251 0.00445 0.24 0.4058 0.989 1517771 IFLab1_003196 OC(=O)C1CCCN(C1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B07 compound treatment 0.257 0.0117 0.58 0.256 0.00945 0.52 0.7742 0.9986 1371219 IFLab1_003197 COc1ccc(cc1OC)c2csc3ncn(n4c(C)ccc4C)c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B08 compound treatment 0.287 0.0417 2.06 0.28 0.0335 1.83 2.7522 0.9983 1238926 IFLab1_003198 O=C(Nc1ccc2ccccc2c1)C3CCCN(C3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B09 compound treatment 0.256 0.0107 0.53 0.256 0.00945 0.52 0.7393 1.0 2067474 IFLab1_003199 CCSc1nnc(NC(=O)C(C)SC2=NCCS2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B10 compound treatment 0.251 0.00568 0.28 0.25 0.00345 0.19 0.3321 0.9817 1285934 IFLab1_003200 CC1(CC2CC(C)(C)C1)CN2C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B11 compound treatment 0.255 0.00968 0.48 0.257 0.0105 0.57 0.7431 0.9959 2067475 IFLab1_003201 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B12 compound treatment 0.306 0.0607 3.0 0.29 0.0435 2.38 3.8034 0.9935 1414036 IFLab1_003202 OC(=O)CCC(=O)Nc1nc(cs1)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B13 compound treatment 0.263 0.0177 0.87 0.263 0.0165 0.9 1.2551 0.9999 1644254 IFLab1_003203 OC(=O)c1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B14 compound treatment 0.289 0.0437 2.16 0.292 0.0455 2.49 3.2873 0.9974 2067476 IFLab1_003204 Oc1ccccc1/C=N/c2oc(c3ccco3)c(c2C#N)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B15 compound treatment 0.25 0.00468 0.23 0.246 -5.48E-4 -0.03 0.1421 0.6099 2067477 IFLab1_003205 Cc1nn(CO)c(C)c1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B16 compound treatment 0.26 0.0147 0.72 0.262 0.0155 0.85 1.1116 0.997 1224211 IFLab1_003206 CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)scc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B17 compound treatment 0.261 0.0157 0.77 0.265 0.0185 1.01 1.2628 0.9913 1405871 IFLab1_003207 Cc1[nH]nc(c1c2ccccc2C)c3ccc(O)c(C)c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B18 compound treatment 0.254 0.00868 0.43 0.254 0.00745 0.41 0.5919 0.9997 2067478 IFLab1_003208 Cc1nc(c(C)s1)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B19 compound treatment 0.291 0.0457 2.26 0.264 0.0175 0.96 2.2716 0.9271 1180360 IFLab1_003209 COc1ccc(c2n[nH]cc2c3ccccc3)c(O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B20 compound treatment 0.284 0.0387 1.91 0.276 0.0295 1.61 2.4924 0.9965 2067479 IFLab1_003210 Cc1sc(/N=C/c2ccco2)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B21 compound treatment 0.256 0.0107 0.53 0.256 0.00945 0.52 0.7393 1.0 2067480 IFLab1_003211 Cc1cccc(N/C=C(\C#N)/c2nc(cs2)c3ccc4OCOc4c3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B22 compound treatment 0.251 0.00568 0.28 0.255 0.00845 0.46 0.5259 0.971 1468849 IFLab1_003212 COc1ccc2oc(=O)c(cc2c1)C(=O)n3ccnc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B23 mock treatment 0.254 0.00868 0.43 0.254 0.00745 0.41 0.5919 0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 B24 mock treatment 0.227 -0.0183 -0.9 0.238 -0.00855 -0.47 -0.9712 -0.9531 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C01 compound treatment 0.222 -0.0233 -1.15 0.216 -0.0305 -1.67 -1.9988 -0.9833 2067481 IFLab1_003213 COc1ccc(CCNC(=O)CSc2ncnc3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C02 compound treatment 0.242 -0.00332 -0.16 0.239 -0.00755 -0.41 -0.4087 -0.9179 1357765 IFLab1_003214 Cc1nc2c(ccc3nc(NC(=O)c4ccco4)sc32)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C03 compound treatment 0.231 -0.0143 -0.71 0.228 -0.0185 -1.02 -1.2192 -0.9842 2067482 IFLab1_003215 COC(=O)c1ccc(CSc2ncnc3ccccc23)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C04 compound treatment 0.243 -0.00232 -0.11 0.243 -0.00355 -0.19 -0.2187 -0.9682 1225861 IFLab1_003216 Clc1ccc(cc1)S(=O)(=O)N2CCNC(=O)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C05 compound treatment 0.245 -3.23E-4 -0.02 0.244 -0.00255 -0.14 -0.1101 -0.7827 2067483 IFLab1_003217 CCCCC(Sc1ccc2nnc(c3ccc(F)cc3)n2n1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C06 compound treatment 0.251 0.00568 0.28 0.251 0.00445 0.24 0.3708 0.9976 2067484 IFLab1_003218 CCOC(=O)CSc1nc(cc(c1C#N)c2ccccc2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C07 compound treatment 0.336 0.0907 4.48 0.329 0.0825 4.52 6.363 1.0 2067485 IFLab1_003219 CSc1nc2ccc(NC(=O)/C=C/c3cccs3)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C08 compound treatment 0.315 0.0697 3.44 0.319 0.0725 3.97 5.242 0.9974 1289522 IFLab1_003220 OCCNC(=O)c1ccc(Nc2nc(c3ccccc3)c4cc(Cl)ccc4n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C09 compound treatment 0.277 0.0317 1.56 0.285 0.0385 2.11 2.5969 0.9892 1726978 IFLab1_003221 CCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C10 compound treatment 0.239 -0.00632 -0.31 0.241 -0.00555 -0.3 -0.4359 -0.9999 1607111 IFLab1_003222 O=S(N1CCCCCC1)C2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C11 compound treatment 0.244 -0.00132 -0.07 0.241 -0.00555 -0.3 -0.2613 -0.8398 1402860 IFLab1_003223 Clc1ccccc1NC(=O)c2csc3CCCCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C12 compound treatment 0.243 -0.00232 -0.11 0.243 -0.00355 -0.19 -0.2187 -0.9682 2067486 IFLab1_003224 Clc1cc(C(=O)OCc2nc3ccccc3s2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C13 compound treatment 0.268 0.0227 1.12 0.268 0.0215 1.18 1.6235 0.9997 1259546 IFLab1_003225 Clc1cc(C(=O)Nc2nc3ccccc3s2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C14 compound treatment 0.424 0.179 8.82 0.424 0.177 9.73 13.1189 0.9988 1465254 IFLab1_003226 CCc1cc(c2n[nH]cc2Oc3ccccc3)c(O)cc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C15 compound treatment 0.239 -0.00632 -0.31 0.236 -0.0105 -0.58 -0.6297 -0.9581 1677596 IFLab1_003227 O=C(Nc1nc(cs1)c2csc(NC(=O)C3CC3)n2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C16 compound treatment 0.315 0.0697 3.44 0.344 0.0975 5.34 6.2112 0.9773 2067487 IFLab1_003228 Oc1ccc(c2n[nH]cc2Oc3ccccc3)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C17 compound treatment 0.25 0.00468 0.23 0.247 4.52E-4 0.02 0.1808 0.7785 1188084 IFLab1_003229 CC1CCCC(C)N1CC(O)COCC2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C18 compound treatment 0.247 0.00168 0.08 0.248 0.00145 0.08 0.1149 0.9998 2067488 IFLab1_003230 Cc1noc(C)c1CSc2ncnc3sc4CCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C19 compound treatment 0.25 0.00468 0.23 0.248 0.00145 0.08 0.2196 0.8989 1369316 IFLab1_003231 COc1cc(CC=C)ccc1OCC(O)CN2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C20 compound treatment 0.239 -0.00632 -0.31 0.24 -0.00655 -0.36 -0.4747 -0.9976 2067489 IFLab1_003232 Cc1cc2nnc(SCC(=O)O)n2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C21 compound treatment 0.24 -0.00532 -0.26 0.238 -0.00855 -0.47 -0.5173 -0.9626 2067490 IFLab1_003233 Fc1cccc(/C=C\2/N=C(OC2=O)c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C22 compound treatment 0.238 -0.00732 -0.36 0.241 -0.00555 -0.3 -0.4708 -0.9963 2067491 IFLab1_003234 NC(=O)c1cnn(c1N)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C23 mock treatment 0.238 -0.00732 -0.36 0.237 -0.00955 -0.52 -0.6259 -0.9837 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 C24 mock treatment 0.229 -0.0163 -0.81 0.23 -0.0165 -0.91 -1.2115 -0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D01 compound treatment 0.231 -0.0143 -0.71 0.234 -0.0125 -0.69 -0.9866 -0.9999 2067492 IFLab1_003235 Cc1noc(C)c1CSc2nnnn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D02 compound treatment 0.266 0.0207 1.02 0.246 -5.48E-4 -0.03 0.7008 0.686 2067493 IFLab1_003236 CCOc1ccc(cc1)c2csc(n2)/C(=C\Nc3ccc(NC(=O)C)cc3)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D03 compound treatment 0.25 0.00468 0.23 0.249 0.00245 0.13 0.2584 0.9668 2067494 IFLab1_003237 CCc1nc2sc3CCCc3c2c4nnc(C)n14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D04 compound treatment 0.256 0.0107 0.53 0.256 0.00945 0.52 0.7393 1.0 2067495 IFLab1_003238 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D05 compound treatment 0.311 0.0657 3.24 0.306 0.0595 3.26 4.5983 1.0 2067496 IFLab1_003239 Cc1nc(SCC(=O)Nc2cccc(c2)C(F)(F)F)c3cnn(c4ccccc4)c3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D06 compound treatment 0.244 -0.00132 -0.07 0.25 0.00345 0.19 0.0876 0.4377 1238050 IFLab1_003240 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCCC(C2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D07 compound treatment 0.255 0.00968 0.48 0.251 0.00445 0.24 0.5105 0.9514 1257742 IFLab1_003241 CCc1nnc(NC(=O)C(C)Sc2ccccc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D08 compound treatment 0.255 0.00968 0.48 0.255 0.00845 0.46 0.6656 0.9999 1358391 IFLab1_003242 Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D09 compound treatment 0.262 0.0167 0.82 0.257 0.0105 0.57 0.9876 0.9843 1335988 IFLab1_003243 CCC(Sc1ccc(Cl)cc1)C(=O)Nc2nnc(C)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D10 compound treatment 0.251 0.00568 0.28 0.244 -0.00255 -0.14 0.0994 0.3175 2067497 IFLab1_003244 CCOC(=O)c1c(C)c(C)sc1NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D11 compound treatment 0.293 0.0477 2.35 0.295 0.0485 2.66 3.5433 0.9982 2067498 IFLab1_003245 OC(=O)c1ccc(/C=C/2\S\C(=N/c3ccc(O)cc3)\NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D12 compound treatment 0.249 0.00368 0.18 0.255 0.00845 0.46 0.4561 0.9164 1645660 IFLab1_003246 CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D13 compound treatment 0.254 0.00868 0.43 0.252 0.00545 0.3 0.5144 0.9845 1255590 IFLab1_003247 OC(=O)c1ccccc1N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D14 compound treatment 0.252 0.00668 0.33 0.252 0.00545 0.3 0.4445 0.9988 1593881 IFLab1_003248 COc1ccccc1NC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D15 compound treatment 0.251 0.00568 0.28 0.256 0.00945 0.52 0.5647 0.9584 1175935 IFLab1_003249 COc1ccc(C(=O)COc2ccccc2)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D16 compound treatment 0.254 0.00868 0.43 0.251 0.00445 0.24 0.4756 0.9644 1028611 IFLab1_003250 OC(=O)c1ccccc1C(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D17 compound treatment 0.262 0.0167 0.82 0.264 0.0175 0.96 1.2589 0.9972 1721182 IFLab1_003251 Cc1ccccc1c2c(C)oc3cc(O)ccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D18 compound treatment 0.257 0.0117 0.58 0.259 0.0125 0.68 0.8905 0.9965 1113514 IFLab1_003252 CCC(=O)Nc1ccc(C)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D19 compound treatment 0.251 0.00568 0.28 0.251 0.00445 0.24 0.3708 0.9976 1450543 IFLab1_003253 CCOc1ccc(c2nn(C)c(C)c2Oc3ccccc3)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D20 compound treatment 0.25 0.00468 0.23 0.249 0.00245 0.13 0.2584 0.9668 1448679 IFLab1_003254 CC(Sc1nc2ccccc2o1)C(=O)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D21 compound treatment 0.249 0.00368 0.18 0.247 4.52E-4 0.02 0.1459 0.7962 2067499 IFLab1_003255 CCOc1ccc(cc1)c2csc(n2)/C(=C/Nc3ccccc3OC)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D22 compound treatment 0.249 0.00368 0.18 0.249 0.00245 0.13 0.2235 0.989 1568669 IFLab1_003256 COc1ccccc1Nc2nc(cs2)c3cc4cccc(OC)c4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D23 mock treatment 0.247 0.00168 0.08 0.246 -5.48E-4 -0.03 0.0373 0.4234 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 D24 mock treatment 0.241 -0.00432 -0.21 0.237 -0.00955 -0.52 -0.5211 -0.9217 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E01 compound treatment 0.233 -0.0123 -0.61 0.23 -0.0165 -0.91 -1.0719 -0.9811 2067500 IFLab1_003257 O=C(CSc1ncnc2ccccc12)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E02 compound treatment 0.277 0.0317 1.56 0.269 0.0225 1.23 1.9766 0.993 1377062 IFLab1_003258 O=C(Nc1ccc(cc1)c2nc3ccccc3[nH]2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E03 compound treatment 0.25 0.00468 0.23 0.248 0.00145 0.08 0.2196 0.8989 2067501 IFLab1_003259 O=C(CSc1ccc2nnc(c3ccccc3)n2n1)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E04 compound treatment 0.252 0.00668 0.33 0.251 0.00445 0.24 0.4058 0.989 1595210 IFLab1_003260 COc1ccc(cc1)S(=O)(=O)N2CCNC(=O)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E05 compound treatment 0.249 0.00368 0.18 0.248 0.00145 0.08 0.1847 0.9315 2067502 IFLab1_003261 Fc1ccc(cc1)c2nnc3ccc(SCC(=O)c4ccccc4)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E06 compound treatment 0.313 0.0677 3.34 0.331 0.0845 4.63 5.6374 0.9872 1343158 IFLab1_003262 COc1ccc(cc1)c2cc(nc3sc(C(=O)N)c(N)c23)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E07 compound treatment 0.249 0.00368 0.18 0.248 0.00145 0.08 0.1847 0.9315 1713395 IFLab1_003263 CSc1nc2ccc(NC(=O)CN3C(=O)CCC3=O)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E08 compound treatment 0.265 0.0197 0.97 0.265 0.0185 1.01 1.4025 0.9998 1724848 IFLab1_003264 CN(C1CCS(=O)(=O)C1)S(=O)(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E09 compound treatment 0.263 0.0177 0.87 0.267 0.0205 1.12 1.4102 0.9923 1536646 IFLab1_003265 COc1cccc(c1)C(=O)Nc2ccc(cc2)c3csc(C)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E10 compound treatment 0.255 0.00968 0.48 0.254 0.00745 0.41 0.6268 0.997 1545984 IFLab1_003266 CN1CCN(CC1)S(=O)C2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E11 compound treatment 0.253 0.00768 0.38 0.246 -5.48E-4 -0.03 0.2468 0.649 1370968 IFLab1_003267 Cc1ccc(CCC(=O)Nc2ccc(C)cc2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E12 compound treatment 0.298 0.0527 2.6 0.297 0.0505 2.77 3.7954 0.9995 1626673 IFLab1_003268 CCCc1ccc(OCC(=O)c2ccc(O)cc2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E13 compound treatment 0.256 0.0107 0.53 0.253 0.00645 0.35 0.623 0.9811 2067503 IFLab1_003269 Cc1ccc2n(C)c(=NC(=O)c3cc(Cl)sc3Cl)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E14 compound treatment 0.249 0.00368 0.18 0.25 0.00345 0.19 0.2622 0.9998 1259259 IFLab1_003270 COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E15 compound treatment 0.327 0.0817 4.03 0.362 0.115 6.33 7.3281 0.9763 2067504 IFLab1_003271 COc1ccc(c2csc(NC(=O)/C=C/c3cccs3)n2)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E16 compound treatment 0.244 -0.00132 -0.07 0.243 -0.00355 -0.19 -0.1838 -0.8954 2067505 IFLab1_003272 COC(=O)c1ccc(Oc2c(oc3cc(O)ccc3c2=O)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E17 compound treatment 0.264 0.0187 0.92 0.266 0.0195 1.07 1.4063 0.9974 1145970 IFLab1_003273 CC(C)C1CCC(C)CC1OCC(O)CN2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E18 compound treatment 0.301 0.0557 2.75 0.302 0.0555 3.04 4.094 0.9987 2067506 IFLab1_003274 OC(=O)c1c(NC(=O)/C=C/c2cccs2)scc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E19 compound treatment 0.249 0.00368 0.18 0.245 -0.00155 -0.08 0.0684 0.3411 1429811 IFLab1_003275 COc1ccc(COCC(O)CN2C(C)CCCC2C)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E20 compound treatment 0.247 0.00168 0.08 0.251 0.00445 0.24 0.2312 0.8968 2067507 IFLab1_003276 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E21 compound treatment 0.256 0.0107 0.53 0.253 0.00645 0.35 0.623 0.9811 2067508 IFLab1_003277 COc1ccccc1/C=C/2\N=C(OC2=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E22 compound treatment 0.25 0.00468 0.23 0.253 0.00645 0.35 0.4135 0.9787 1551354 IFLab1_003278 Cc1ccc(cc1C)c2nn3nnnc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E23 mock treatment 0.246 6.77E-4 0.03 0.246 -5.48E-4 -0.03 0.0024 0.0532 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 E24 mock treatment 0.247 0.00168 0.08 0.242 -0.00455 -0.25 -0.1178 -0.4482 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F01 compound treatment 0.25 0.00468 0.23 0.254 0.00745 0.41 0.4522 0.9635 2067509 IFLab1_003279 COc1ccc(/C=C/C(=O)Nc2sc3CCCCc3c2C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F02 compound treatment 0.292 0.0467 2.3 0.253 0.00645 0.35 1.88 0.8062 2067510 IFLab1_003280 COc1cccc(c1)c2csc(n2)/C(=C\Nc3ccc(NC(=O)C)cc3)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F03 compound treatment 0.253 0.00768 0.38 0.255 0.00845 0.46 0.5958 0.995 1278829 IFLab1_003281 C1CN(CCO1)c2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F04 compound treatment 0.249 0.00368 0.18 0.252 0.00545 0.3 0.3398 0.9715 1284006 IFLab1_003282 COc1ccc(NC(=O)CCCC(=O)O)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F05 compound treatment 0.257 0.0117 0.58 0.252 0.00545 0.3 0.6191 0.9532 1175385 IFLab1_003283 COc1cc(cc(OC)c1OC)c2nc3sc4CCCc4c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F06 compound treatment 0.254 0.00868 0.43 0.257 0.0105 0.57 0.7082 0.9897 1353868 IFLab1_003284 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCCCC2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F07 compound treatment 0.309 0.0637 3.14 0.309 0.0625 3.42 4.6448 0.9991 2067511 IFLab1_003285 CC(Sc1nc2ccccc2s1)C(=O)Nc3nnc(s3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F08 compound treatment 0.275 0.0297 1.47 0.268 0.0215 1.18 1.868 0.9941 1615740 IFLab1_003286 Cc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F09 compound treatment 0.288 0.0427 2.11 0.287 0.0405 2.22 3.0585 0.9997 1263143 IFLab1_003287 CCC(Sc1ccccc1)C(=O)Nc2nnc(s2)c3ccc(OC)cc3OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F10 compound treatment 0.308 0.0627 3.1 0.312 0.0655 3.59 4.7262 0.9973 1419097 IFLab1_003288 CCC(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F11 compound treatment 0.26 0.0147 0.72 0.26 0.0135 0.74 1.034 1.0 2067512 IFLab1_003289 Oc1ccc(/N=C\2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)/S2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F12 compound treatment 0.26 0.0147 0.72 0.247 4.52E-4 0.02 0.53 0.7308 2067513 IFLab1_003290 Cc1sc(/N=C/c2ccc(O)cc2)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F13 compound treatment 0.264 0.0187 0.92 0.26 0.0135 0.74 1.1737 0.9939 2067514 IFLab1_003291 Cc1nn(C(=O)c2ccco2)c(C)c1Sc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F14 compound treatment 0.264 0.0187 0.92 0.259 0.0125 0.68 1.1349 0.989 1179283 IFLab1_003292 COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F15 compound treatment 0.304 0.0587 2.9 0.313 0.0665 3.64 4.6253 0.9936 1640181 IFLab1_003293 Cc1oc2cc(O)ccc2c(=O)c1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F16 compound treatment 0.249 0.00368 0.18 0.254 0.00745 0.41 0.4173 0.9334 1049198 IFLab1_003294 CCOC(=O)c1c(C)c(C)sc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F17 compound treatment 0.31 0.0647 3.19 0.285 0.0385 2.11 3.7492 0.9797 2067515 IFLab1_003295 CCOc1ccc(c2n[nH]c(c2Oc3ccccc3)C(F)(F)F)c(O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F18 compound treatment 0.262 0.0167 0.82 0.26 0.0135 0.74 1.1039 0.9985 1663501 IFLab1_003296 CC(C)CC(=O)Nc1ccc(cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F19 compound treatment 0.276 0.0307 1.51 0.26 0.0135 0.74 1.5927 0.9453 1195788 IFLab1_003297 COc1ccc(c2n[nH]c(C)c2c3ccccc3)c(O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F20 compound treatment 0.255 0.00968 0.48 0.255 0.00845 0.46 0.6656 0.9999 1355410 IFLab1_003298 Cc1c(Cl)cccc1NC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F21 compound treatment 0.269 0.0237 1.17 0.26 0.0135 0.74 1.3483 0.9753 2067516 IFLab1_003299 COc1ccc(N/C=C(\C#N)/c2nc(cs2)c3ccc4OCOc4c3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F22 compound treatment 0.251 0.00568 0.28 0.254 0.00745 0.41 0.4871 0.9831 1601988 IFLab1_003300 COc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F23 mock treatment 0.255 0.00968 0.48 0.256 0.00945 0.52 0.7044 0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 F24 mock treatment 0.247 0.00168 0.08 0.25 0.00345 0.19 0.1924 0.9313 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G01 compound treatment 0.267 0.0217 1.07 0.268 0.0215 1.18 1.5886 0.9989 2067517 IFLab1_003301 Cc1csc(NC(=O)CSc2ncnc3ccccc23)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G02 compound treatment 0.253 0.00768 0.38 0.248 0.00145 0.08 0.3244 0.8373 1254381 IFLab1_003302 CCC(=O)Nc1ccc(cc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G03 compound treatment 0.243 -0.00232 -0.11 0.248 0.00145 0.08 -0.0248 -0.1778 2067518 IFLab1_003303 O=C(CSc1ccc2nnc(c3ccccc3)n2n1)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G04 compound treatment 0.257 0.0117 0.58 0.252 0.00545 0.3 0.6191 0.9532 1606394 IFLab1_003304 O=C1CCN(CCN1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G05 compound treatment 0.245 -3.23E-4 -0.02 0.243 -0.00355 -0.19 -0.1488 -0.7625 2067519 IFLab1_003305 CCOc1ccc(cc1)c2nnc3ccc(SC)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G06 compound treatment 0.258 0.0127 0.63 0.258 0.0115 0.63 0.8867 1.0 1623658 IFLab1_003306 Nc1c(sc2nc(cc(c3ccc(Cl)cc3)c12)C4CC4)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G07 compound treatment 0.25 0.00468 0.23 0.25 0.00345 0.19 0.2971 0.9951 1470386 IFLab1_003307 O=C(OCc1nc2ccccc2s1)c3cccc(c3)N4C(=O)CCC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G08 compound treatment 0.268 0.0227 1.12 0.266 0.0195 1.07 1.546 0.9997 1159893 IFLab1_003308 CN1CCN(CC1)S(=O)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G09 compound treatment 0.279 0.0337 1.66 0.273 0.0265 1.45 2.2015 0.9977 1418753 IFLab1_003309 OC(=O)CCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G10 compound treatment 0.255 0.00968 0.48 0.255 0.00845 0.46 0.6656 0.9999 2067520 IFLab1_003310 S(c1c(nc2ncccn12)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G11 compound treatment 0.246 6.77E-4 0.03 0.246 -5.48E-4 -0.03 0.0024 0.0532 1214346 IFLab1_003311 CN(C)c1ccc(cc1)P(=O)(OCc2ccccc2)C(O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G12 compound treatment 0.308 0.0627 3.1 0.295 0.0485 2.66 4.0671 0.9971 1208321 IFLab1_003312 Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G13 compound treatment 0.255 0.00968 0.48 0.262 0.0155 0.85 0.937 0.9633 1466716 IFLab1_003313 CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)sc2Cl)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G14 compound treatment 0.245 -3.23E-4 -0.02 0.243 -0.00355 -0.19 -0.1488 -0.7625 2067521 IFLab1_003314 Cc1[nH]nc(c1Oc2ccccc2)c3ccc(O)cc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G15 compound treatment 0.26 0.0147 0.72 0.262 0.0155 0.85 1.1116 0.997 1675481 IFLab1_003315 COc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G16 compound treatment 0.358 0.113 5.56 0.385 0.138 7.59 9.3023 0.9883 1477422 IFLab1_003316 CCCOc1ccc(c2n[nH]cc2Oc3ccccc3)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G17 compound treatment 0.261 0.0157 0.77 0.263 0.0165 0.9 1.1853 0.9971 1171118 IFLab1_003317 OC(COc1ccc2OCOc2c1)CN3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G18 compound treatment 0.256 0.0107 0.53 0.256 0.00945 0.52 0.7393 1.0 1523521 IFLab1_003318 C1CN(CCO1)c2nnc(N3CCOCC3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G19 compound treatment 0.249 0.00368 0.18 0.251 0.00445 0.24 0.301 0.9894 1119823 IFLab1_003319 Cc1cccc(C)c1OCC(O)CN2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G20 compound treatment 0.253 0.00768 0.38 0.246 -5.48E-4 -0.03 0.2468 0.649 1366277 IFLab1_003320 CN1CCN(CC1)c2nnc(c3ccccc3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G21 compound treatment 0.259 0.0137 0.68 0.25 0.00345 0.19 0.6114 0.8717 1446410 IFLab1_003321 Clc1ccc2n(COC(=O)NC3CCCCC3)c(=O)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G22 compound treatment 0.247 0.00168 0.08 0.255 0.00845 0.46 0.3862 0.8205 2067522 IFLab1_003322 Cc1ccc(cc1)c2nn3cnnc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G23 mock treatment 0.249 0.00368 0.18 0.246 -5.48E-4 -0.03 0.1071 0.5821 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 G24 mock treatment 0.244 -0.00132 -0.07 0.251 0.00445 0.24 0.1264 0.5003 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H01 compound treatment 0.283 0.0377 1.86 0.28 0.0335 1.83 2.6126 1.0 2067523 IFLab1_003323 CC(C)(C)c1ccc(NC(=O)CSc2nnnn2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H02 compound treatment 0.257 0.0117 0.58 0.255 0.00845 0.46 0.7354 0.9941 2067524 IFLab1_003324 COc1ccc(Cl)cc1N/C=C(\C#N)/c2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H03 compound treatment 0.256 0.0107 0.53 0.261 0.0145 0.79 0.9331 0.9804 2067525 IFLab1_003325 S=c1[nH]cnc2scc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H04 compound treatment 0.255 0.00968 0.48 0.254 0.00745 0.41 0.6268 0.997 1669631 IFLab1_003326 OC(=O)CCCC(=O)Nc1cccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H05 compound treatment 0.25 0.00468 0.23 0.244 -0.00255 -0.14 0.0645 0.239 2067526 IFLab1_003327 CN(C)c1ccc(/C=C\2/N=C(OC2=O)c3cccs3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H06 compound treatment 0.256 0.0107 0.53 0.254 0.00745 0.41 0.6617 0.9921 2067527 IFLab1_003328 FC(F)(F)C1CCCN(C1)S(=O)(=O)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H07 compound treatment 0.26 0.0147 0.72 0.26 0.0135 0.74 1.034 1.0 1561214 IFLab1_003329 CC(SC1=NCCS1)C(=O)Nc2nnc(s2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H08 compound treatment 0.257 0.0117 0.58 0.248 0.00145 0.08 0.464 0.7971 1250459 IFLab1_003330 CN(C(=O)C1CCCN(C1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H09 compound treatment 0.254 0.00868 0.43 0.258 0.0115 0.63 0.747 0.9827 1656241 IFLab1_003331 CCSc1nnc(NC(=O)C(CC)Sc2ccc(Cl)cc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H10 compound treatment 0.257 0.0117 0.58 0.251 0.00445 0.24 0.5803 0.9268 1720041 IFLab1_003332 OC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H11 compound treatment 0.476 0.231 11.39 0.454 0.207 11.37 16.0978 1.0 2067528 IFLab1_003333 Cc1ccc(/C=C\2/S/C(=N/c3ccc(O)cc3)/NC2=O)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H12 compound treatment 0.268 0.0227 1.12 0.266 0.0195 1.07 1.546 0.9997 1520208 IFLab1_003334 CC(=O)Nc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H13 compound treatment 0.238 -0.00732 -0.36 0.242 -0.00455 -0.25 -0.432 -0.9835 1435135 IFLab1_003335 Cc1nn(C(=O)c2cccnc2)c(C)c1Sc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H14 compound treatment 0.256 0.0107 0.53 0.251 0.00445 0.24 0.5454 0.9387 1129935 IFLab1_003336 O=C(Oc1ccccc1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H15 compound treatment 0.252 0.00668 0.33 0.254 0.00745 0.41 0.5221 0.9943 1051974 IFLab1_003337 COc1ccc(cc1)c2c(C)oc3cc(OC(=O)C)ccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H16 compound treatment 0.263 0.0177 0.87 0.258 0.0115 0.63 1.0612 0.9869 2067529 IFLab1_003338 N(c1nc(cs1)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H17 compound treatment 0.286 0.0407 2.01 0.3 0.0535 2.93 3.4927 0.983 2067530 IFLab1_003339 Cc1c(O)ccc2c(=O)c(c3ccc(F)cc3)c(oc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H18 compound treatment 0.265 0.0197 0.97 0.267 0.0205 1.12 1.48 0.9975 2067531 IFLab1_003340 Cc1nc(cs1)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H19 compound treatment 0.245 -3.23E-4 -0.02 0.252 0.00545 0.3 0.2001 0.6685 1187065 IFLab1_003341 COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H20 compound treatment 0.254 0.00868 0.43 0.25 0.00345 0.19 0.4368 0.9325 1626157 IFLab1_003342 CC1CCCC(C)N1C(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H21 compound treatment 0.253 0.00768 0.38 0.258 0.0115 0.63 0.7121 0.9708 2067532 IFLab1_003343 Fc1ccc(cc1)c2csc(n2)/C(=C\Nc3cccc(Cl)c3)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H22 compound treatment 0.285 0.0397 1.96 0.276 0.0295 1.61 2.5273 0.9954 1212413 IFLab1_003344 Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H23 mock treatment 0.249 0.00368 0.18 0.255 0.00845 0.46 0.4561 0.9164 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 H24 mock treatment 0.253 0.00768 0.38 0.254 0.00745 0.41 0.557 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I01 compound treatment 0.242 -0.00332 -0.16 0.237 -0.00955 -0.52 -0.4862 -0.8862 2067533 IFLab1_003345 CCOC(=O)c1c(NC(=O)CSc2ncnc3ccccc23)sc4CCCc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I02 compound treatment 0.28 0.0347 1.71 0.268 0.0215 1.18 2.0426 0.9832 2067534 IFLab1_003346 O=C(Nc1ccc(cc1)c2nc3ccccc3[nH]2)/C=C/c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I03 compound treatment 0.252 0.00668 0.33 0.253 0.00645 0.35 0.4833 0.9994 2067535 IFLab1_003347 NC(=O)CSc1ccc2nnc(c3ccccc3)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I04 compound treatment 0.255 0.00968 0.48 0.253 0.00645 0.35 0.588 0.989 1327413 IFLab1_003348 O=S(=O)(N1CCN(CC1)S(=O)(=O)c2cccs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I05 compound treatment 0.271 0.0257 1.27 0.276 0.0295 1.61 2.0385 0.9928 2067536 IFLab1_003349 CCOc1ccc(cc1)c2nnc3ccc(SCC)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I06 compound treatment 0.261 0.0157 0.77 0.257 0.0105 0.57 0.9526 0.989 2067537 IFLab1_003350 OC(=O)CSc1nc(cc(c1C#N)c2ccccc2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I07 compound treatment 0.254 0.00868 0.43 0.254 0.00745 0.41 0.5919 0.9997 1060520 IFLab1_003351 COc1ccc(cc1)C2=CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I08 compound treatment 0.258 0.0127 0.63 0.258 0.0115 0.63 0.8867 1.0 1502026 IFLab1_003352 Cc1ccc(cc1)N(Cc2ccco2)C(=O)CNS(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I09 compound treatment 0.257 0.0117 0.58 0.252 0.00545 0.3 0.6191 0.9532 2067538 IFLab1_003353 CC(C)OC(=O)c1cc2ccccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I10 compound treatment 0.251 0.00568 0.28 0.252 0.00545 0.3 0.4096 0.9995 2067539 IFLab1_003354 CC1Cc2ccccc2N1C(=O)COc3c(F)c(F)c(F)c(F)c3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I11 compound treatment 0.248 0.00268 0.13 0.246 -5.48E-4 -0.03 0.0722 0.5327 1698498 IFLab1_003355 CN(C)c1ccc(cc1)P(=O)(OC2CCCCC2)C(O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I12 compound treatment 0.251 0.00568 0.28 0.253 0.00645 0.35 0.4484 0.9934 1383363 IFLab1_003356 CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I13 compound treatment 0.265 0.0197 0.97 0.259 0.0125 0.68 1.1698 0.9851 1142618 IFLab1_003357 Clc1cc(C(=O)Nc2nccs2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I14 compound treatment 0.331 0.0857 4.23 0.334 0.0875 4.79 6.3822 0.9981 1346302 IFLab1_003358 CCc1cc(c2n[nH]cc2Oc3ccccc3)c(O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I15 compound treatment 0.258 0.0127 0.63 0.252 0.00545 0.3 0.654 0.9428 1652338 IFLab1_003359 O=C(Nc1nc(cs1)c2ccncc2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I16 compound treatment 0.307 0.0617 3.05 0.303 0.0565 3.1 4.3423 1.0 1645418 IFLab1_003360 Oc1ccc(cc1)c2nc(c3ccccc3)c4ccccn24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I17 compound treatment 0.261 0.0157 0.77 0.262 0.0155 0.85 1.1465 0.999 1406699 IFLab1_003361 CCC1CCCCN1CC(O)COc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I18 compound treatment 0.257 0.0117 0.58 0.252 0.00545 0.3 0.6191 0.9532 1146596 IFLab1_003362 CN1CCN(CC1)c2ncnc3scc(c4ccc(F)cc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I19 compound treatment 0.256 0.0107 0.53 0.258 0.0115 0.63 0.8168 0.9962 2067540 IFLab1_003363 CN1CCN(CC1)C(=O)CN2C(=O)S/C(=C\c3ccccc3F)/C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I20 compound treatment 0.246 6.77E-4 0.03 0.255 0.00845 0.46 0.3513 0.7562 2067541 IFLab1_003364 COC(=O)c1cc(cc(c1)n2c(C)ccc2C)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I21 compound treatment 0.251 0.00568 0.28 0.249 0.00245 0.13 0.2933 0.9433 2067542 IFLab1_003365 Fc1cccc(Cl)c1C2SCC(=O)N2c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I22 compound treatment 0.266 0.0207 1.02 0.25 0.00345 0.19 0.8558 0.8241 2067543 IFLab1_003366 COC(=O)/C(=C\c1cccnc1)/NC(=O)c2ccc(OCc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I23 mock treatment 0.255 0.00968 0.48 0.254 0.00745 0.41 0.6268 0.997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 I24 mock treatment 0.246 6.77E-4 0.03 0.258 0.0115 0.63 0.4676 0.7437 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J01 compound treatment 0.25 0.00468 0.23 0.25 0.00345 0.19 0.2971 0.9951 1166892 IFLab1_003367 CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J02 compound treatment 0.244 -0.00132 -0.07 0.245 -0.00155 -0.08 -0.1062 -0.9916 2067544 IFLab1_003368 N#C/C(=C/Nc1cccc2ccccc12)/c3nc(cs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J03 compound treatment 0.267 0.0217 1.07 0.259 0.0125 0.68 1.2397 0.9764 2067545 IFLab1_003369 CC(=O)Oc1cc2sc(C)nc2c3sccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J04 compound treatment 0.267 0.0217 1.07 0.262 0.0155 0.85 1.356 0.9933 2067546 IFLab1_003370 Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J05 compound treatment 0.303 0.0577 2.85 0.296 0.0495 2.71 3.9312 0.9997 2067547 IFLab1_003371 N#CCSc1nnc(c2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J06 compound treatment 0.245 -3.23E-4 -0.02 0.246 -5.48E-4 -0.03 -0.0325 -0.9559 2067548 IFLab1_003372 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J07 compound treatment 0.273 0.0277 1.37 0.279 0.0325 1.78 2.2246 0.9915 1356576 IFLab1_003373 CC(Sc1nc2ccccc2[nH]1)C(=O)Nc3nnc(s3)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J08 compound treatment 0.255 0.00968 0.48 0.257 0.0105 0.57 0.7431 0.9959 1361432 IFLab1_003374 O=C(C1CCN(CC1)S(=O)(=O)c2cccs2)N3CCc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J09 compound treatment 0.252 0.00668 0.33 0.252 0.00545 0.3 0.4445 0.9988 2067549 IFLab1_003375 Cc1ccc(cc1)C(=O)NCS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J10 compound treatment 0.249 0.00368 0.18 0.25 0.00345 0.19 0.2622 0.9998 1627846 IFLab1_003376 CCOC(=O)c1c(NC(=O)CCCC(=O)O)scc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J11 compound treatment 0.25 0.00468 0.23 0.269 0.0225 1.23 1.0338 0.8254 2067550 IFLab1_003377 CN1C(=O)/C(=C\2/S/C(=N\c3ccc(C)c(C)c3)/NC2=O)/c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J12 compound treatment 0.248 0.00268 0.13 0.248 0.00145 0.08 0.1498 0.9705 1648362 IFLab1_003378 Brc1ccc(cc1)C(=O)COC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J13 compound treatment 0.251 0.00568 0.28 0.251 0.00445 0.24 0.3708 0.9976 2067551 IFLab1_003379 Cc1ccc(SC(C(=O)c2ccccc2)C(=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J14 compound treatment 0.245 -3.23E-4 -0.02 0.246 -5.48E-4 -0.03 -0.0325 -0.9559 1161503 IFLab1_003380 COc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J15 compound treatment 0.263 0.0177 0.87 0.262 0.0155 0.85 1.2163 0.9999 1370114 IFLab1_003381 COc1ccc(cc1)c2c(C)oc3cc(O)ccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J16 compound treatment 0.247 0.00168 0.08 0.243 -0.00355 -0.19 -0.079 -0.3736 1075844 IFLab1_003382 CCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J17 compound treatment 0.268 0.0227 1.12 0.277 0.0305 1.67 1.9725 0.9811 1151392 IFLab1_003383 CCOc1ccc2c(=O)c(coc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J18 compound treatment 0.254 0.00868 0.43 0.259 0.0125 0.68 0.7858 0.9748 2067552 IFLab1_003384 CCOC(=O)c1c(NC(=O)/C=C\C(=O)O)sc(C)c1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J19 compound treatment 0.294 0.0487 2.4 0.297 0.0505 2.77 3.6557 0.9976 1293115 IFLab1_003385 Cc1c(O)ccc2c(=O)c(coc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J20 compound treatment 0.25 0.00468 0.23 0.242 -0.00455 -0.25 -0.013 -0.0383 1625895 IFLab1_003386 CCN(C(=O)c1cc2ccccc2oc1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J21 compound treatment 0.255 0.00968 0.48 0.256 0.00945 0.52 0.7044 0.9992 2067553 IFLab1_003387 Clc1cccc(N/C=C(\C#N)/c2nc(cs2)c3ccc4OCOc4c3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J22 compound treatment 0.308 0.0627 3.1 0.293 0.0465 2.55 3.9895 0.9953 1182925 IFLab1_003388 CC(NC(=O)C(c1ccccc1)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J23 mock treatment 0.247 0.00168 0.08 0.249 0.00245 0.13 0.1536 0.9729 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 J24 mock treatment 0.245 -3.23E-4 -0.02 0.25 0.00345 0.19 0.1226 0.6453 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K01 compound treatment 0.225 -0.0203 -1.0 0.222 -0.0245 -1.35 -1.6614 -0.9895 1039953 IFLab1_003389 C(Sc1ncnc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K02 compound treatment 0.251 0.00568 0.28 0.253 0.00645 0.35 0.4484 0.9934 1175995 IFLab1_003390 COC(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K03 compound treatment 0.248 0.00268 0.13 0.249 0.00245 0.13 0.1885 1.0 2067554 IFLab1_003391 O=C(CSc1ccc2nnc(c3ccccc3)n2n1)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K04 compound treatment 0.261 0.0157 0.77 0.259 0.0125 0.68 1.0302 0.998 1382032 IFLab1_003392 CCSc1nc(cc(c2ccco2)c1C#N)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K05 compound treatment 0.25 0.00468 0.23 0.251 0.00445 0.24 0.3359 0.9996 2067555 IFLab1_003393 COc1ccc(cc1OC)c2nnc3ccc(SCc4ccccc4F)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K06 compound treatment 0.27 0.0247 1.22 0.278 0.0315 1.72 2.0811 0.9855 1640446 IFLab1_003394 NC(=O)CSc1nc(cc(c2cccs2)c1C#N)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K07 compound treatment 0.244 -0.00132 -0.07 0.245 -0.00155 -0.08 -0.1062 -0.9916 1032557 IFLab1_003395 C=CC(=O)N1CCN(CC1)C(=O)C=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K08 compound treatment 0.255 0.00968 0.48 0.255 0.00845 0.46 0.6656 0.9999 1408889 IFLab1_003396 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K09 compound treatment 0.248 0.00268 0.13 0.246 -5.48E-4 -0.03 0.0722 0.5327 2067556 IFLab1_003397 Cc1ccc(/C=C/C(=O)Nc2ccccc2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K10 compound treatment 0.248 0.00268 0.13 0.247 4.52E-4 0.02 0.111 0.8252 1307317 IFLab1_003398 O=C(N(Cc1ccccc1)c2ccccn2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K11 compound treatment 0.25 0.00468 0.23 0.248 0.00145 0.08 0.2196 0.8989 1485325 IFLab1_003399 CC(C)C(O)P(=O)(OCc1ccccc1)c2ccc(cc2)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K12 compound treatment 0.288 0.0427 2.11 0.29 0.0435 2.38 3.1748 0.9981 2067557 IFLab1_003400 Cc1c(O)ccc2c(=O)c(Oc3ccccc3)c(oc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K13 compound treatment 0.25 0.00468 0.23 0.251 0.00445 0.24 0.3359 0.9996 1298394 IFLab1_003401 CCOC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K14 compound treatment 0.282 0.0367 1.81 0.293 0.0465 2.55 3.0817 0.986 1488365 IFLab1_003402 CCOc1cc(O)c(cc1CC)c2n[nH]cc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K15 compound treatment 0.251 0.00568 0.28 0.249 0.00245 0.13 0.2933 0.9433 1558600 IFLab1_003403 COC(=O)c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K16 compound treatment 0.258 0.0127 0.63 0.257 0.0105 0.57 0.8479 0.999 1220961 IFLab1_003404 OCc1cc(=O)c(O)c(o1)C(Nc2nccs2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K17 compound treatment 0.248 0.00268 0.13 0.257 0.0105 0.57 0.4987 0.848 2067558 IFLab1_003405 OC(COCCC1(CC2CC3CC(C2)C1)C3)CN4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K18 compound treatment 0.252 0.00668 0.33 0.258 0.0115 0.63 0.6771 0.9548 1074365 IFLab1_003406 CCOC(=O)c1c(N)sc2CCCCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K19 compound treatment 0.254 0.00868 0.43 0.256 0.00945 0.52 0.6694 0.9955 2067559 IFLab1_003407 Brc1ccc2cc(OC(=O)c3ccncc3)ccc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K20 compound treatment 0.255 0.00968 0.48 0.253 0.00645 0.35 0.588 0.989 2067560 IFLab1_003408 FC(F)(F)c1ccc(Cl)c(NC(=O)CCSc2nnnn2c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K21 compound treatment 0.25 0.00468 0.23 0.252 0.00545 0.3 0.3747 0.9919 2067561 IFLab1_003409 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K22 compound treatment 0.249 0.00368 0.18 0.253 0.00645 0.35 0.3785 0.952 2067562 IFLab1_003410 C(Sc1nnc2ccccn12)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K23 mock treatment 0.252 0.00668 0.33 0.251 0.00445 0.24 0.4058 0.989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 K24 mock treatment 0.255 0.00968 0.48 0.254 0.00745 0.41 0.6268 0.997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L01 compound treatment 0.244 -0.00132 -0.07 0.238 -0.00855 -0.47 -0.3776 -0.7979 1258224 IFLab1_003411 COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L02 compound treatment 0.251 0.00568 0.28 0.251 0.00445 0.24 0.3708 0.9976 2067563 IFLab1_003412 CCOc1ccc(cc1)c2csc(n2)/C(=C/Nc3ccc4OCOc4c3)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L03 compound treatment 0.253 0.00768 0.38 0.252 0.00545 0.3 0.4794 0.9931 1239454 IFLab1_003413 Cc1ccc(C)n1n2cnc3sc4CCCc4c3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L04 compound treatment 0.251 0.00568 0.28 0.252 0.00545 0.3 0.4096 0.9995 1612805 IFLab1_003414 CCc1cc2c(=O)c(coc2cc1OC(C)C(=O)O)c3nc(C)cs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L05 compound treatment 0.248 0.00268 0.13 0.247 4.52E-4 0.02 0.111 0.8252 1442760 IFLab1_003415 Fc1ccc(NC(=O)CCSc2nnc3ccccn23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L06 compound treatment 0.254 0.00868 0.43 0.257 0.0105 0.57 0.7082 0.9897 1983592 IFLab1_003416 O=S(=O)(c1cccs1)n2nnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L07 compound treatment 0.293 0.0477 2.35 0.292 0.0455 2.49 3.427 0.9996 1554770 IFLab1_003417 CC(SC1=NCCS1)C(=O)Nc2nnc(s2)c3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L08 compound treatment 0.253 0.00768 0.38 0.254 0.00745 0.41 0.557 0.9993 1455385 IFLab1_003418 O=C(NCc1ccccc1)C2CCN(CC2)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L09 compound treatment 0.264 0.0187 0.92 0.268 0.0215 1.18 1.4839 0.9928 2067564 IFLab1_003419 CCOc1ccc(/C=C/2\SC(=S)N(CC(=O)N3CCCc4ccccc34)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L10 compound treatment 0.256 0.0107 0.53 0.26 0.0135 0.74 0.8944 0.9865 1587902 IFLab1_003420 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L11 compound treatment 0.261 0.0157 0.77 0.258 0.0115 0.63 0.9914 0.9946 2067565 IFLab1_003421 Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4OCOc4c3)/SC2=S)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L12 compound treatment 0.249 0.00368 0.18 0.25 0.00345 0.19 0.2622 0.9998 1160289 IFLab1_003422 CCOC(=O)c1cc2cccc(CC=C)c2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L13 compound treatment 0.248 0.00268 0.13 0.249 0.00245 0.13 0.1885 1.0 2067566 IFLab1_003423 COc1ccc(cc1)S(=O)(=O)Nc2nc(cs2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L14 compound treatment 0.246 6.77E-4 0.03 0.249 0.00245 0.13 0.1187 0.8569 1597206 IFLab1_003424 NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L15 compound treatment 0.25 0.00468 0.23 0.251 0.00445 0.24 0.3359 0.9996 1218304 IFLab1_003425 COc1ccc(cc1)c2c(C)oc3cc(OC)ccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L16 compound treatment 0.248 0.00268 0.13 0.247 4.52E-4 0.02 0.111 0.8252 1075853 IFLab1_003426 OC(=O)c1ccccc1C(=O)Nc2ccccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L17 compound treatment 0.244 -0.00132 -0.07 0.246 -5.48E-4 -0.03 -0.0674 -0.938 2067567 IFLab1_003427 COc1ccc(cc1)c2c(n[nH]c2C(F)(F)F)c3ccc(O)cc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L18 compound treatment 0.249 0.00368 0.18 0.254 0.00745 0.41 0.4173 0.9334 1709284 IFLab1_003428 CCOc1ccccc1NC(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L19 compound treatment 0.299 0.0537 2.65 0.321 0.0745 4.08 4.7608 0.9781 1176804 IFLab1_003429 CC(=O)Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L20 compound treatment 0.254 0.00868 0.43 0.245 -0.00155 -0.08 0.243 0.5562 1620579 IFLab1_003430 C=CCc1cccc2cc(C(=O)NCCC3=CCCCC3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L21 compound treatment 0.251 0.00568 0.28 0.254 0.00745 0.41 0.4871 0.9831 2067568 IFLab1_003431 Brc1ccc(N/C=C(\C#N)/c2nc(cs2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L22 compound treatment 0.253 0.00768 0.38 0.26 0.0135 0.74 0.7896 0.9522 2067569 IFLab1_003432 Oc1c(Cl)cc(Cl)cc1/C=N/c2nc3CCCCc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L23 mock treatment 0.249 0.00368 0.18 0.255 0.00845 0.46 0.4561 0.9164 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 L24 mock treatment 0.247 0.00168 0.08 0.25 0.00345 0.19 0.1924 0.9313 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M01 compound treatment 0.215 -0.0303 -1.5 0.21 -0.0365 -2.0 -2.4758 -0.9897 2067570 IFLab1_003433 Fc1ccc(CSc2ncnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M02 compound treatment 0.281 0.0357 1.76 0.278 0.0315 1.72 2.4652 0.9999 1329441 IFLab1_003434 CCC(=O)Nc1cccc(c1)c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M03 compound treatment 0.247 0.00168 0.08 0.244 -0.00255 -0.14 -0.0402 -0.2477 2067571 IFLab1_003435 Cc1cc(C)c(NC(=O)CSc2ccc3nnc(c4ccccc4)n3n2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M04 compound treatment 0.282 0.0367 1.81 0.279 0.0325 1.78 2.5389 1.0 1129291 IFLab1_003436 NC(=O)c1sc2nc(cc(c3cccs3)c2c1N)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M05 compound treatment 0.262 0.0167 0.82 0.256 0.00945 0.52 0.9488 0.9751 1277302 IFLab1_003437 CC1(C)CC(=O)c2sc(NC(=O)CCSc3ccccc3)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M06 compound treatment 0.249 0.00368 0.18 0.246 -5.48E-4 -0.03 0.1071 0.5821 1526878 IFLab1_003438 C1CCN(C1)c2nc(c3ccccc3)c4ccccc4n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M07 compound treatment 0.247 0.00168 0.08 0.248 0.00145 0.08 0.1149 0.9998 2067572 IFLab1_003439 CC(=Cc1ccc(O)cc1)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M08 compound treatment 0.266 0.0207 1.02 0.265 0.0185 1.01 1.4374 1.0 1492730 IFLab1_003440 CCOC(=O)c1c(C)c(C)sc1NC(=O)C2(CC2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M09 compound treatment 0.251 0.00568 0.28 0.246 -5.48E-4 -0.03 0.177 0.6277 1377193 IFLab1_003441 Cc1ccccc1NC(=O)c2csc3CCCCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M10 compound treatment 0.256 0.0107 0.53 0.252 0.00545 0.3 0.5842 0.9639 1278533 IFLab1_003442 Cc1nn(C(=O)CNS(=O)(=O)c2ccccc2)c(C)c1Sc3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M11 compound treatment 0.248 0.00268 0.13 0.249 0.00245 0.13 0.1885 1.0 1274575 IFLab1_003443 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M12 compound treatment 0.309 0.0637 3.14 0.301 0.0545 2.99 4.3346 0.9997 2067573 IFLab1_003444 CCc1cc2c(=O)c(Oc3ccccc3)c(oc2cc1O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M13 compound treatment 0.249 0.00368 0.18 0.248 0.00145 0.08 0.1847 0.9315 2067574 IFLab1_003445 Clc1cc(C(=O)N2CCc3ccccc23)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M14 compound treatment 0.277 0.0317 1.56 0.278 0.0315 1.72 2.3255 0.9988 1369842 IFLab1_003446 Cc1cc(O)cc2oc(C)c(Oc3ccccc3)c(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M15 compound treatment 0.294 0.0487 2.4 0.299 0.0525 2.88 3.7333 0.996 1641075 IFLab1_003447 Oc1n(nc2ncncc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M16 compound treatment 0.286 0.0407 2.01 0.278 0.0315 1.72 2.6398 0.9971 2067575 IFLab1_003448 Cc1ccc(C)n1n2cnc3scc(c4ccc(F)cc4)c3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M17 compound treatment 0.256 0.0107 0.53 0.257 0.0105 0.57 0.778 0.9991 1720875 IFLab1_003449 CC(C)C1CCC(C)CC1OCC(O)CN2CC(C)OC(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M18 compound treatment 0.258 0.0127 0.63 0.259 0.0125 0.68 0.9254 0.9991 2067576 IFLab1_003450 Cc1nc(SCCO)c2c3CCCc3sc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M19 compound treatment 0.249 0.00368 0.18 0.258 0.0115 0.63 0.5724 0.8757 1219582 IFLab1_003451 NCC(c1ccco1)c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M20 compound treatment 0.245 -3.23E-4 -0.02 0.242 -0.00455 -0.25 -0.1876 -0.7507 1478257 IFLab1_003452 OC(=O)c1cc(cc(c1)C(=O)O)N2C(=O)CSC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M21 compound treatment 0.249 0.00368 0.18 0.262 0.0155 0.85 0.7275 0.8396 1349251 IFLab1_003453 COc1ccc(cc1Cl)N2C(SCC2=O)c3cccc(OC)c3OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M22 compound treatment 0.248 0.00268 0.13 0.251 0.00445 0.24 0.2661 0.9585 1584606 IFLab1_003454 CCN1CCN(CC1)S(=O)(=O)c2c(C)c(C)cc(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M23 mock treatment 0.251 0.00568 0.28 0.249 0.00245 0.13 0.2933 0.9433 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 M24 mock treatment 0.229 -0.0163 -0.81 0.25 0.00345 0.19 -0.4361 -0.5268 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N01 compound treatment 0.238 -0.00732 -0.36 0.243 -0.00355 -0.19 -0.3933 -0.9577 1739652 IFLab1_003455 Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N02 compound treatment 0.244 -0.00132 -0.07 0.239 -0.00755 -0.41 -0.3388 -0.8087 2067577 IFLab1_003456 Cc1ccc(cc1C)c2csc(n2)/C(=C/Nc3ccccc3)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N03 compound treatment 0.25 0.00468 0.23 0.249 0.00245 0.13 0.2584 0.9668 2067578 IFLab1_003457 COc1ncnc2n(ncc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N04 compound treatment 0.242 -0.00332 -0.16 0.242 -0.00455 -0.25 -0.2924 -0.9794 1554368 IFLab1_003458 Cc1ccc2OC(CC(=O)c2c1)c3cc(Br)cc4COCOc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N05 compound treatment 0.248 0.00268 0.13 0.241 -0.00555 -0.3 -0.1216 -0.3667 2067579 IFLab1_003459 C=CCNc1nc(c(s1)C(=O)Nc2cccnc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N06 compound treatment 0.246 6.77E-4 0.03 0.249 0.00245 0.13 0.1187 0.8569 1290098 IFLab1_003460 COc1cc(cc(OC)c1OC)C(=O)N2Cc3ccccc3CC2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N07 compound treatment 0.272 0.0267 1.32 0.268 0.0215 1.18 1.7632 0.9984 1694396 IFLab1_003461 COc1ccccc1c2nnc(NC(=O)C(C)SC3=NCCS3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N08 compound treatment 0.244 -0.00132 -0.07 0.246 -5.48E-4 -0.03 -0.0674 -0.938 1174227 IFLab1_003462 CN(Cc1ccccc1)C(=O)C2CCCCN2S(=O)(=O)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N09 compound treatment 0.285 0.0397 1.96 0.287 0.0405 2.22 2.9538 0.9981 2067580 IFLab1_003463 CCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N10 compound treatment 0.256 0.0107 0.53 0.248 0.00145 0.08 0.4291 0.8047 1584745 IFLab1_003464 Oc1ccc(C(=O)OCC(=O)c2ccccc2)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N11 compound treatment 0.243 -0.00232 -0.11 0.249 0.00245 0.13 0.014 0.0789 1581754 IFLab1_003465 O=C1C2C3CC(C=C3)C2C(=O)N1C4CCS(=O)(=O)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N12 compound treatment 0.248 0.00268 0.13 0.242 -0.00455 -0.25 -0.0829 -0.2935 1330006 IFLab1_003466 Cc1sc(NC(=O)CCC(=O)O)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N13 compound treatment 0.244 -0.00132 -0.07 0.241 -0.00555 -0.3 -0.2613 -0.8398 2067581 IFLab1_003467 N/C(=N/c1ccccc1)/C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N14 compound treatment 0.248 0.00268 0.13 0.248 0.00145 0.08 0.1498 0.9705 1571895 IFLab1_003468 OC(=O)CCCC(=O)Nc1nc(cs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N15 compound treatment 0.272 0.0267 1.32 0.272 0.0255 1.4 1.9183 0.9996 2067582 IFLab1_003469 COc1ccc(cc1)c2c(oc3cc(O)ccc3c2=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N16 compound treatment 0.237 -0.00832 -0.41 0.245 -0.00155 -0.08 -0.3506 -0.8355 1113394 IFLab1_003470 Clc1ccccc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N17 compound treatment 0.259 0.0137 0.68 0.265 0.0185 1.01 1.193 0.9807 1164418 IFLab1_003471 Cc1c(O)ccc(c2n[nH]cc2c3ccccc3)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N18 compound treatment 0.246 6.77E-4 0.03 0.247 4.52E-4 0.02 0.0412 0.989 1552580 IFLab1_003472 CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N19 compound treatment 0.246 6.77E-4 0.03 0.256 0.00945 0.52 0.3901 0.7512 1143498 IFLab1_003473 CC(=O)Oc1ccc2c(=O)c(coc2c1C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N20 compound treatment 0.246 6.77E-4 0.03 0.25 0.00345 0.19 0.1575 0.8194 1407757 IFLab1_003474 CCN(C1CCCCC1)C(=O)c2cc3cc(OC)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N21 compound treatment 0.247 0.00168 0.08 0.246 -5.48E-4 -0.03 0.0373 0.4234 2067583 IFLab1_003475 Cc1ccc(cc1)c2csc(n2)/C(=C\Nc3ccc(cc3)S(=O)(=O)N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N22 compound treatment 0.25 0.00468 0.23 0.26 0.0135 0.74 0.6849 0.8861 2067584 IFLab1_003476 Oc1c(Cl)cc(Cl)cc1/C=N/C2=C(CCC2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N23 mock treatment 0.246 6.77E-4 0.03 0.249 0.00245 0.13 0.1187 0.8569 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 N24 mock treatment 0.236 -0.00932 -0.46 0.249 0.00245 0.13 -0.2305 -0.4806 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O01 compound treatment 0.224 -0.0213 -1.05 0.217 -0.0295 -1.62 -1.8901 -0.9782 2067585 IFLab1_003477 Fc1cccc(Cl)c1CSc2ncnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O02 compound treatment 0.248 0.00268 0.13 0.253 0.00645 0.35 0.3436 0.9099 2067586 IFLab1_003478 C(Sc1nc2ccccc2s1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O03 compound treatment 0.245 -3.23E-4 -0.02 0.236 -0.0105 -0.58 -0.4202 -0.7263 2067587 IFLab1_003479 Fc1ccc(cc1)c2nnc3ccc(SCc4ccccc4)nn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O04 compound treatment 0.281 0.0357 1.76 0.278 0.0315 1.72 2.4652 0.9999 2067588 IFLab1_003480 N#CC(=C(/C=C/c1cccs1)C2CC2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O05 compound treatment 0.245 -3.23E-4 -0.02 0.245 -0.00155 -0.08 -0.0713 -0.8254 1312621 IFLab1_003481 O=C(CCSc1ccccc1)Nc2nc(cs2)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O06 compound treatment 0.28 0.0347 1.71 0.276 0.0295 1.61 2.3527 0.9996 1732274 IFLab1_003482 OCCNc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O07 compound treatment 0.24 -0.00532 -0.26 0.242 -0.00455 -0.25 -0.3622 -0.9997 2067589 IFLab1_003483 Oc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)/c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O08 compound treatment 0.255 0.00968 0.48 0.257 0.0105 0.57 0.7431 0.9959 1441706 IFLab1_003484 O=C(NCc1ccc2OCOc2c1)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O09 compound treatment 0.239 -0.00632 -0.31 0.237 -0.00955 -0.52 -0.591 -0.9695 1247662 IFLab1_003485 COc1ccccc1NC(=O)c2csc3CCCCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O10 compound treatment 0.242 -0.00332 -0.16 0.241 -0.00555 -0.3 -0.3311 -0.958 1295311 IFLab1_003486 Brc1ccc(s1)C(=O)Nc2nc(cs2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O11 compound treatment 0.238 -0.00732 -0.36 0.239 -0.00755 -0.41 -0.5483 -0.9977 1427279 IFLab1_003487 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O12 compound treatment 0.301 0.0557 2.75 0.304 0.0575 3.15 4.1716 0.9977 2067590 IFLab1_003488 Oc1ccc2c(=O)c(Oc3ccccc3)c(oc2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O13 compound treatment 0.244 -0.00132 -0.07 0.236 -0.0105 -0.58 -0.4551 -0.782 1581630 IFLab1_003489 CCc1ccccc1NC(=O)c2cc(Cl)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O14 compound treatment 0.293 0.0477 2.35 0.296 0.0495 2.71 3.5821 0.9975 2067591 IFLab1_003490 Cc1cc(O)cc2oc(c(Oc3ccccc3)c(=O)c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O15 compound treatment 0.247 0.00168 0.08 0.241 -0.00555 -0.3 -0.1565 -0.4965 2067592 IFLab1_003491 CC1CCCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O16 compound treatment 0.242 -0.00332 -0.16 0.242 -0.00455 -0.25 -0.2924 -0.9794 1176174 IFLab1_003492 CC(=O)Nc1cccc(Oc2nc(C)nc3sc4CCCCc4c23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O17 compound treatment 0.257 0.0117 0.58 0.259 0.0125 0.68 0.8905 0.9965 1592437 IFLab1_003493 OC(COc1ccc(Cl)cc1)CN2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O18 compound treatment 0.253 0.00768 0.38 0.26 0.0135 0.74 0.7896 0.9522 1705824 IFLab1_003494 CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O19 compound treatment 0.247 0.00168 0.08 0.247 4.52E-4 0.02 0.0761 0.88 2067593 IFLab1_003495 Cc1ccccc1NC(=O)c2cccc(NC(=O)C(F)(F)F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O20 compound treatment 0.241 -0.00432 -0.21 0.248 0.00145 0.08 -0.0947 -0.4155 2067594 IFLab1_003496 O=C1CSC(=S)N1CC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O21 compound treatment 0.242 -0.00332 -0.16 0.248 0.00145 0.08 -0.0597 -0.3276 1073429 IFLab1_003497 O=C(Nc1ccc(cc1)C(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O22 compound treatment 0.243 -0.00232 -0.11 0.248 0.00145 0.08 -0.0248 -0.1778 2067595 IFLab1_003498 Fc1ccc(cc1)N2CCN(CC2)S(=O)(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O23 mock treatment 0.252 0.00668 0.33 0.248 0.00145 0.08 0.2894 0.8533 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 O24 mock treatment 0.242 -0.00332 -0.16 0.231 -0.0155 -0.85 -0.7188 -0.828 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P01 compound treatment 0.21 -0.0353 -1.74 0.209 -0.0375 -2.06 -2.6892 -0.9966 2067596 IFLab1_003499 COc1ccc(cc1OC)C2=N/C(=C/c3ccco3)/C(=O)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P02 compound treatment 0.228 -0.0173 -0.86 0.223 -0.0235 -1.29 -1.5179 -0.98 2067597 IFLab1_003500 COc1cccc(N/C=C(\C#N)/c2nc(cs2)c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P03 compound treatment 0.239 -0.00632 -0.31 0.246 -5.48E-4 -0.03 -0.242 -0.7716 1597962 IFLab1_003501 Fc1ccc(cc1)c2nnc(N3CCOCC3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P04 compound treatment 0.246 6.77E-4 0.03 0.244 -0.00255 -0.14 -0.0751 -0.523 1290708 IFLab1_003502 OC(=O)C1CCN(CC1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P05 compound treatment 0.249 0.00368 0.18 0.249 0.00245 0.13 0.2235 0.989 2067598 IFLab1_003503 Cc1cc(=O)oc2cc(OCCOc3ccccc3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P06 compound treatment 0.245 -3.23E-4 -0.02 0.245 -0.00155 -0.08 -0.0713 -0.8254 2067599 IFLab1_003504 FC(F)(F)C1CCCC(C1)NC(=O)c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P07 compound treatment 0.247 0.00168 0.08 0.242 -0.00455 -0.25 -0.1178 -0.4482 1742215 IFLab1_003505 COc1ccc(cc1)c2nnc(NC(=O)C(C)Sc3ccc(C)cc3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P08 compound treatment 0.246 6.77E-4 0.03 0.246 -5.48E-4 -0.03 0.0024 0.0532 2067600 IFLab1_003506 CC1CCCN(C1)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P09 compound treatment 0.249 0.00368 0.18 0.245 -0.00155 -0.08 0.0684 0.3411 2067601 IFLab1_003507 COc1cccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P10 compound treatment 0.249 0.00368 0.18 0.245 -0.00155 -0.08 0.0684 0.3411 1192861 IFLab1_003508 O=C(OC1CCCCC1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P11 compound treatment 0.245 -3.23E-4 -0.02 0.244 -0.00255 -0.14 -0.1101 -0.7827 1430028 IFLab1_003509 CCS(=O)(=O)c1ccc(O)c(c1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P12 compound treatment 0.247 0.00168 0.08 0.241 -0.00555 -0.3 -0.1565 -0.4965 1374110 IFLab1_003510 COc1cccc(OC(=O)c2cc3ccccc3oc2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P13 compound treatment 0.245 -3.23E-4 -0.02 0.249 0.00245 0.13 0.0838 0.619 1314980 IFLab1_003511 O=S(=O)(N=S(N1CCCCC1)N2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P14 compound treatment 0.277 0.0317 1.56 0.27 0.0235 1.29 2.0153 0.9953 2067602 IFLab1_003512 Cc1sc(/N=C/c2c[nH]c3ccccc23)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P15 compound treatment 0.255 0.00968 0.48 0.254 0.00745 0.41 0.6268 0.997 1451504 IFLab1_003513 Cc1ccccc1CC(=O)c2ccc(O)cc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P16 compound treatment 0.248 0.00268 0.13 0.246 -5.48E-4 -0.03 0.0722 0.5327 1313479 IFLab1_003514 CN(C)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P17 compound treatment 0.278 0.0327 1.61 0.282 0.0355 1.94 2.5155 0.9957 1542694 IFLab1_003515 COc1ccc(c2n[nH]cc2c3ccccc3)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P18 compound treatment 0.245 -3.23E-4 -0.02 0.238 -0.00855 -0.47 -0.3427 -0.7307 1661708 IFLab1_003516 CC(NC(=O)c1cc2ccccc2oc1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P19 compound treatment 0.254 0.00868 0.43 0.252 0.00545 0.3 0.5144 0.9845 1270685 IFLab1_003517 CN(C)Cc1c(O)ccc2c(=O)c(c(C)oc12)c3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P20 compound treatment 0.252 0.00668 0.33 0.233 -0.0135 -0.74 -0.2921 -0.3594 2067603 IFLab1_003518 COc1ccc(O)c(/C=N/CCc2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P21 compound treatment 0.242 -0.00332 -0.16 0.232 -0.0145 -0.8 -0.6801 -0.8351 2067604 IFLab1_003519 NS(=O)(=O)c1ccc(N/C=C(/C#N)\c2nc(cs2)c3ccc(Cl)c(Cl)c3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P22 compound treatment 0.235 -0.0103 -0.51 0.227 -0.0195 -1.07 -1.1183 -0.9423 1237246 IFLab1_003520 COc1ccc(Br)cc1S(=O)(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P23 mock treatment 0.244 -0.00132 -0.07 0.242 -0.00455 -0.25 -0.2225 -0.8632 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1421 P24 mock treatment 0.251 0.00568 0.28 0.221 -0.0255 -1.4 -0.7923 -0.5546 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A01 compound treatment 0.187 -0.0583 -2.88 0.21 -0.0328 -1.8 -3.3082 -0.9743 1409745 IFLab1_003521 O=C(NCc1ccc2OCOc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A02 compound treatment 0.203 -0.0423 -2.09 0.224 -0.0188 -1.03 -2.2067 -0.9469 1784445 IFLab1_003522 CC/C(=C(\C#N)/c1nc2ccccc2[nH]1)/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A03 compound treatment 0.239 -0.00632 -0.31 0.223 -0.0198 -1.09 -0.9884 -0.875 2067605 IFLab1_003523 Cc1ccc(/C=N/c2sc(C)c(C)c2C#N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A04 compound treatment 0.215 -0.0303 -1.5 0.218 -0.0248 -1.36 -2.0203 -0.9988 2067606 IFLab1_003524 COC1CS(=O)(=O)CC1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A05 compound treatment 0.22 -0.0253 -1.25 0.222 -0.0208 -1.14 -1.6906 -0.9989 1227048 IFLab1_003525 CC1CN(CCN1C(=O)c2cccc(Cl)c2)C(=O)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A06 compound treatment 0.22 -0.0253 -1.25 0.23 -0.0128 -0.7 -1.3805 -0.9627 1326007 IFLab1_003526 COc1cccc2cc(c3nnc(Nc4ccccc4F)s3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A07 compound treatment 0.241 -0.00432 -0.21 0.238 -0.0048 -0.26 -0.337 -0.9946 1345083 IFLab1_003527 O=C(Nc1ccncc1NC(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A08 compound treatment 0.239 -0.00632 -0.31 0.233 -0.0098 -0.54 -0.6007 -0.9666 1656482 IFLab1_003528 Clc1cccc(c1)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A09 compound treatment 0.238 -0.00732 -0.36 0.243 2.0E-4 0.01 -0.2479 -0.6853 1520132 IFLab1_003529 CC(C)N(C(=O)Cn1cnc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A10 compound treatment 0.239 -0.00632 -0.31 0.241 -0.0018 -0.1 -0.2906 -0.8873 1637825 IFLab1_003530 COC(=O)c1sc2ccccc2c1NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A11 compound treatment 0.243 -0.00232 -0.11 0.249 0.0062 0.34 0.1593 0.444 1230553 IFLab1_003531 Clc1ccc(OCc2nc3ccccc3[nH]2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A12 compound treatment 0.255 0.00968 0.48 0.252 0.0092 0.5 0.6946 0.9996 2067607 IFLab1_003532 FC(F)(F)c1cccc(c1)C(=O)Nc2ccccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A13 compound treatment 0.247 0.00168 0.08 0.232 -0.0108 -0.59 -0.3601 -0.6023 1243864 IFLab1_003533 COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A14 compound treatment 0.236 -0.00932 -0.46 0.24 -0.0028 -0.15 -0.4341 -0.8945 2067608 IFLab1_003534 CCNc1nc(NCC)nc(SCC(=O)c2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A15 compound treatment 0.231 -0.0143 -0.71 0.234 -0.0088 -0.48 -0.8413 -0.9826 2067609 IFLab1_003535 C=CCn1nnnc1SCC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A16 compound treatment 0.341 0.0957 4.72 0.327 0.0842 4.62 6.6053 0.9999 1331694 IFLab1_003536 COc1ccc(cc1)c2cc3ccccn3c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A17 compound treatment 0.229 -0.0163 -0.81 0.23 -0.0128 -0.7 -1.0662 -0.9976 1166854 IFLab1_003537 C(N1CCN(CC1)c2ccccc2)c3cn4cccnc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A18 compound treatment 0.223 -0.0223 -1.1 0.23 -0.0128 -0.7 -1.2757 -0.9762 2067610 IFLab1_003538 O=C(Nc1nccs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A19 compound treatment 0.232 -0.0133 -0.66 0.249 0.0062 0.34 -0.2248 -0.3036 2067611 IFLab1_003539 COc1ccc(cc1)C(=O)CNC2=NCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A20 compound treatment 0.222 -0.0233 -1.15 0.216 -0.0268 -1.47 -1.8534 -0.9927 1700419 IFLab1_003540 CCOc1ccc(cc1)S(=O)(=O)NCCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A21 compound treatment 0.227 -0.0183 -0.9 0.222 -0.0208 -1.14 -1.4462 -0.9934 1164353 IFLab1_003541 OC(=O)CNC(=O)COc1cccc(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A22 compound treatment 0.226 -0.0193 -0.95 0.231 -0.0118 -0.65 -1.1322 -0.9821 1152002 IFLab1_003542 COc1ccccc1NC(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A23 mock treatment 0.24 -0.00532 -0.26 0.211 -0.0318 -1.74 -1.4188 -0.8046 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 A24 mock treatment 0.175 -0.0703 -3.47 0.177 -0.0658 -3.61 -5.0066 -0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B01 compound treatment 0.229 -0.0163 -0.81 0.242 -8.0E-4 -0.04 -0.601 -0.7445 1677123 IFLab1_003543 Cc1cc(=O)cc(C)n1c2ccc(cc2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B02 compound treatment 0.249 0.00368 0.18 0.247 0.0042 0.23 0.2912 0.9931 2067612 IFLab1_003544 CC(=C)C(=O)Oc1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B03 compound treatment 0.253 0.00768 0.38 0.251 0.0082 0.45 0.586 0.9964 1207063 IFLab1_003545 CCOC(=O)C1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B04 compound treatment 0.252 0.00668 0.33 0.25 0.0072 0.39 0.5123 0.996 1980352 IFLab1_003546 CCCc1nnc2SCC(=Nn12)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B05 compound treatment 0.258 0.0127 0.63 0.255 0.0122 0.67 0.9157 0.9995 1398133 IFLab1_003547 Cn1c(=NC(=O)c2nc3ccccc3s2)sc4cc(Cl)ccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B06 compound treatment 0.251 0.00568 0.28 0.251 0.0082 0.45 0.5162 0.9742 2067613 IFLab1_003548 COc1ccc(cc1)C(=O)CSc2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B07 compound treatment 0.286 0.0407 2.01 0.271 0.0282 1.55 2.5137 0.9916 2067614 IFLab1_003549 O=C(Nc1ccc2sccc2c1)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B08 compound treatment 0.26 0.0147 0.72 0.256 0.0132 0.72 1.0243 1.0 2067615 IFLab1_003550 CCc1ccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B09 compound treatment 0.255 0.00968 0.48 0.252 0.0092 0.5 0.6946 0.9996 1145470 IFLab1_003551 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B10 compound treatment 0.25 0.00468 0.23 0.253 0.0102 0.56 0.5588 0.9235 2067616 IFLab1_003552 Cn1c(=NC(=O)c2ccc(Br)s2)sc3cc(F)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B11 compound treatment 0.254 0.00868 0.43 0.254 0.0112 0.61 0.7372 0.9845 1265904 IFLab1_003553 CCC(=O)Nc1ccc(cc1)c2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B12 compound treatment 0.26 0.0147 0.72 0.262 0.0192 1.05 1.2569 0.9834 2067617 IFLab1_003554 NC(=O)c1ccc(N/C=C(\C#N)/c2nc(cs2)c3cccc4ccccc34)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B13 compound treatment 0.259 0.0137 0.68 0.251 0.0082 0.45 0.7955 0.9804 2067618 IFLab1_003555 CC(Sc1nnc(o1)c2cccc(Br)c2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B14 compound treatment 0.254 0.00868 0.43 0.251 0.0082 0.45 0.6209 0.9997 1134927 IFLab1_003556 CC(C)(C)NC(=O)C1C2CC(C)(NC1=O)Oc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B15 compound treatment 0.254 0.00868 0.43 0.255 0.0122 0.67 0.776 0.9768 1650896 IFLab1_003557 CCOC(=O)c1c(C)[nH]c(C(=O)CC(=O)OC)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B16 compound treatment 0.262 0.0167 0.82 0.261 0.0182 1.0 1.288 0.9955 1545249 IFLab1_003558 Cc1ccc(OCC(O)CN2CCCCC2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B17 compound treatment 0.271 0.0257 1.27 0.271 0.0282 1.55 1.9899 0.9951 2067619 IFLab1_003559 OC(=O)c1cccc(c1)N2C(=O)/C(=C\c3ccc4OCOc4c3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B18 compound treatment 0.263 0.0177 0.87 0.261 0.0182 1.0 1.3229 0.9978 1351386 IFLab1_003560 COc1ccccc1N2CCN(CC(O)COc3ccccc3CC=C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B19 compound treatment 0.254 0.00868 0.43 0.252 0.0092 0.5 0.6597 0.9967 1166032 IFLab1_003561 CC(C)c1ccc(OCC(C)NC(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B20 compound treatment 0.251 0.00568 0.28 0.251 0.0082 0.45 0.5162 0.9742 1068756 IFLab1_003562 Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B21 compound treatment 0.252 0.00668 0.33 0.257 0.0142 0.78 0.7837 0.9269 1597132 IFLab1_003563 CCC(=O)Oc1ccc(cc1)N2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B22 compound treatment 0.249 0.00368 0.18 0.245 0.0022 0.12 0.2137 0.9803 1604489 IFLab1_003564 O=S(=O)(N1CCc2ccccc12)c3cccc4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B23 mock treatment 0.254 0.00868 0.43 0.249 0.0062 0.34 0.5434 0.9934 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 B24 mock treatment 0.23 -0.0153 -0.76 0.228 -0.0148 -0.81 -1.1088 -0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C01 compound treatment 0.22 -0.0253 -1.25 0.213 -0.0298 -1.63 -2.0396 -0.9913 1280715 IFLab1_003565 COc1ccc(Br)cc1S(=O)(=O)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C02 compound treatment 0.237 -0.00832 -0.41 0.234 -0.0088 -0.48 -0.6318 -0.9968 2067620 IFLab1_003566 FC(F)(F)SCC(=O)Nc1ccc(I)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C03 compound treatment 0.245 -3.23E-4 -0.02 0.245 0.0022 0.12 0.074 0.6084 1475116 IFLab1_003567 COc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(C)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C04 compound treatment 0.244 -0.00132 -0.07 0.239 -0.0038 -0.21 -0.1935 -0.8862 1224373 IFLab1_003568 OC1CS(=O)(=O)CC1N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C05 compound treatment 0.24 -0.00532 -0.26 0.236 -0.0068 -0.37 -0.4495 -0.9854 1490334 IFLab1_003569 CC1CN(CCN1C(=O)c2ccccc2Cl)C(=O)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C06 compound treatment 0.242 -0.00332 -0.16 0.24 -0.0028 -0.15 -0.2246 -0.9994 1327035 IFLab1_003570 CCOc1cccc2cc(C(=O)N)c(=Nc3ccccc3F)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C07 compound treatment 0.236 -0.00932 -0.46 0.237 -0.0058 -0.32 -0.5504 -0.9837 1117794 IFLab1_003571 O=C(Nc1ccncc1NC(=O)C2CC2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C08 compound treatment 0.275 0.0297 1.47 0.269 0.0262 1.44 2.0521 1.0 1303507 IFLab1_003572 CCC(=O)Nc1cccc(c1)c2cn3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C09 compound treatment 0.246 6.77E-4 0.03 0.238 -0.0048 -0.26 -0.1624 -0.6123 2067621 IFLab1_003573 CCCn1c(CCCO)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C10 compound treatment 0.244 -0.00132 -0.07 0.245 0.0022 0.12 0.0391 0.2851 1383855 IFLab1_003574 COC(=O)c1sc2ccccc2c1NC(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C11 compound treatment 0.255 0.00968 0.48 0.252 0.0092 0.5 0.6946 0.9996 1142340 IFLab1_003575 COc1cc(Cn2c(nc3ccccc23)c4ccc(O)c(OC)c4)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C12 compound treatment 0.243 -0.00232 -0.11 0.243 2.0E-4 0.01 -0.0733 -0.6366 1385320 IFLab1_003576 O=C(Nc1ccccc1C#N)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C13 compound treatment 0.285 0.0397 1.96 0.281 0.0382 2.09 2.8665 0.9994 2067622 IFLab1_003577 Brc1ccc(NC2=Nc3ccccc3SC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C14 compound treatment 0.242 -0.00332 -0.16 0.241 -0.0018 -0.1 -0.1858 -0.9704 1455353 IFLab1_003578 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C15 compound treatment 0.236 -0.00932 -0.46 0.237 -0.0058 -0.32 -0.5504 -0.9837 1569227 IFLab1_003579 COc1ccc(cc1)C(=O)CSc2nnnn2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C16 compound treatment 0.246 6.77E-4 0.03 0.247 0.0042 0.23 0.1865 0.8014 1182009 IFLab1_003580 CC(C)N(C(=O)CSc1ccccc1C(=O)O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C17 compound treatment 0.246 6.77E-4 0.03 0.249 0.0062 0.34 0.264 0.773 2067623 IFLab1_003581 Cn1cnn2cc(c3ccccc3)[n+](C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C18 compound treatment 0.247 0.00168 0.08 0.247 0.0042 0.23 0.2214 0.9047 1360104 IFLab1_003582 COc1ccccc1N2CCN(CC2)C(=O)Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C19 compound treatment 0.234 -0.0113 -0.56 0.239 -0.0038 -0.21 -0.5427 -0.9095 1730817 IFLab1_003583 COC(=O)c1ccccc1Sc2c(nc3ncccn23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C20 compound treatment 0.241 -0.00432 -0.21 0.238 -0.0048 -0.26 -0.337 -0.9946 1207062 IFLab1_003584 OCCNS(=O)(=O)c1cc(Cl)ccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C21 compound treatment 0.238 -0.00732 -0.36 0.24 -0.0028 -0.15 -0.3642 -0.9272 1720395 IFLab1_003585 O=C(COc1cccc2ccccc12)OC3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C22 compound treatment 0.239 -0.00632 -0.31 0.24 -0.0028 -0.15 -0.3293 -0.9466 1409165 IFLab1_003586 COc1ccc(cc1)S(=O)(=O)N2C(C)CCCC2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C23 mock treatment 0.237 -0.00832 -0.41 0.237 -0.0058 -0.32 -0.5155 -0.992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 C24 mock treatment 0.234 -0.0113 -0.56 0.228 -0.0148 -0.81 -0.9692 -0.9835 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D01 compound treatment 0.239 -0.00632 -0.31 0.246 0.0032 0.18 -0.0967 -0.27 2067624 IFLab1_003587 OC(=O)CC1(OCCO1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D02 compound treatment 0.242 -0.00332 -0.16 0.248 0.0052 0.29 0.0856 0.2602 1400553 IFLab1_003588 Oc1cccc(c1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D03 compound treatment 0.254 0.00868 0.43 0.261 0.0182 1.0 1.0086 0.9287 1107771 IFLab1_003589 CN1CCN(Cc2oc(CO)cc(=O)c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D04 compound treatment 0.245 -3.23E-4 -0.02 0.251 0.0082 0.45 0.3067 0.6816 2067625 IFLab1_003590 CCCc1nnc2SCC(=Nn12)c3ccc(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D05 compound treatment 0.264 0.0187 0.92 0.263 0.0202 1.11 1.4353 0.9959 1309648 IFLab1_003591 Fc1cccc(F)c1C(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D06 compound treatment 0.242 -0.00332 -0.16 0.247 0.0042 0.23 0.0468 0.1656 2067626 IFLab1_003592 Cc1nnc2SCC(=Nn12)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D07 compound treatment 0.313 0.0677 3.34 0.294 0.0512 2.81 4.3482 0.9962 1710483 IFLab1_003593 O=C(Nc1ccc2sccc2c1)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D08 compound treatment 0.256 0.0107 0.53 0.257 0.0142 0.78 0.9234 0.982 2067627 IFLab1_003594 CCc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D09 compound treatment 0.252 0.00668 0.33 0.251 0.0082 0.45 0.5511 0.9884 2067628 IFLab1_003595 OC(=O)c1sc2cc(Cl)ccc2c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D10 compound treatment 0.245 -3.23E-4 -0.02 0.25 0.0072 0.39 0.2679 0.678 2067629 IFLab1_003596 COc1cccc2sc(=NC(=O)c3cccc(c3)C(F)(F)F)n(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D11 compound treatment 0.258 0.0127 0.63 0.254 0.0112 0.61 0.8769 1.0 2067630 IFLab1_003597 Cc1ccc(cc1)C(=O)CSc2nnc3[nH]c(=O)cc(C)n23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D12 compound treatment 0.249 0.00368 0.18 0.253 0.0102 0.56 0.5239 0.8909 1220393 IFLab1_003598 COc1ccc(Br)cc1S(=O)(=O)n2ccnc2C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D13 compound treatment 0.25 0.00468 0.23 0.246 0.0032 0.18 0.2874 0.9908 2067631 IFLab1_003599 Cc1ccc(NC2=NCCOC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D14 compound treatment 0.249 0.00368 0.18 0.251 0.0082 0.45 0.4463 0.9205 1631142 IFLab1_003600 Cc1nc2ccccc2n1CC(=O)N3CC(=O)Nc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D15 compound treatment 0.251 0.00568 0.28 0.25 0.0072 0.39 0.4774 0.9859 2067632 IFLab1_003601 O=c1ccc2ccc(OCCOc3ccc4ccc(=O)oc4c3)cc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D16 compound treatment 0.251 0.00568 0.28 0.257 0.0142 0.78 0.7488 0.9049 1559652 IFLab1_003602 CC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D17 compound treatment 0.263 0.0177 0.87 0.263 0.0202 1.11 1.4004 0.9931 2067633 IFLab1_003603 O=S(=O)(/C=C/c1ccccc1)N2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D18 compound treatment 0.271 0.0257 1.27 0.275 0.0322 1.77 2.145 0.9868 1444119 IFLab1_003604 Cc1cc(OCC(O)CN2CCN(CC2)c3ccccn3)ccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D19 compound treatment 0.245 -3.23E-4 -0.02 0.245 0.0022 0.12 0.074 0.6084 1432502 IFLab1_003605 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D20 compound treatment 0.275 0.0297 1.47 0.274 0.0312 1.71 2.2459 0.997 1559961 IFLab1_003606 Oc1c(ccc2cccnc12)C(N3CCCC3)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D21 compound treatment 0.248 0.00268 0.13 0.252 0.0092 0.5 0.4502 0.8633 1239975 IFLab1_003607 CCC(=O)Oc1cccc(c1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D22 compound treatment 0.248 0.00268 0.13 0.248 0.0052 0.29 0.2951 0.939 1400810 IFLab1_003608 O=S(=O)(N1CCc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D23 mock treatment 0.247 0.00168 0.08 0.248 0.0052 0.29 0.2602 0.8763 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 D24 mock treatment 0.242 -0.00332 -0.16 0.244 0.0012 0.07 -0.0695 -0.3931 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E01 compound treatment 0.237 -0.00832 -0.41 0.244 0.0012 0.07 -0.2441 -0.5864 1627518 IFLab1_003609 Cc1ccc(C(=O)O)c(c1)C(=O)Nc2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E02 compound treatment 0.243 -0.00232 -0.11 0.241 -0.0018 -0.1 -0.1509 -0.9972 2067634 IFLab1_003610 FC(F)(F)c1ccc2sc(CC#N)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E03 compound treatment 0.277 0.0317 1.56 0.273 0.0302 1.66 2.277 0.9996 1530960 IFLab1_003611 COc1ccc2cc(ccc2c1)S(=O)(=O)n3nnc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E04 compound treatment 0.252 0.00668 0.33 0.248 0.0052 0.29 0.4348 0.9974 1083304 IFLab1_003612 O=S1(=O)CC(SC#N)C=C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E05 compound treatment 0.271 0.0257 1.27 0.267 0.0242 1.33 1.8348 0.9997 1193288 IFLab1_003613 COc1ccc(C)cc1S(=O)(=O)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E06 compound treatment 0.251 0.00568 0.28 0.254 0.0112 0.61 0.6325 0.9369 1737734 IFLab1_003614 CCOc1cccc2cc(C(=O)N)c(=Nc3ccc(F)cc3)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E07 compound treatment 0.271 0.0257 1.27 0.263 0.0202 1.11 1.6798 0.9977 1655301 IFLab1_003615 COC(=O)c1sc(cc1NC(=O)C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E08 compound treatment 0.265 0.0197 0.97 0.256 0.0132 0.72 1.1989 0.9895 1496658 IFLab1_003616 Cc1nc(cs1)c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E09 compound treatment 0.253 0.00768 0.38 0.253 0.0102 0.56 0.6635 0.9821 2067635 IFLab1_003617 C=CCn1c(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E10 compound treatment 0.265 0.0197 0.97 0.262 0.0192 1.05 1.4315 0.9992 1221120 IFLab1_003618 COC(=O)c1sc2ccccc2c1NC(=O)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E11 compound treatment 0.296 0.0507 2.5 0.297 0.0542 2.97 3.8709 0.9963 1553473 IFLab1_003619 CCc1cccc(CC)c1N(COC)C(=O)CSc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E12 compound treatment 0.257 0.0117 0.58 0.259 0.0162 0.89 1.0358 0.9781 2067636 IFLab1_003620 O=C(Cn1nnc(n1)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E13 compound treatment 0.256 0.0107 0.53 0.259 0.0162 0.89 1.0009 0.969 2067637 IFLab1_003621 O=C1C(CCc2ccccc12)Sc3nnc(o3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E14 compound treatment 0.3 0.0547 2.7 0.296 0.0532 2.92 3.9718 0.9993 2067638 IFLab1_003622 CC(C)c1ccc(/C=C/2\C(=O)Nc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E15 compound treatment 0.254 0.00868 0.43 0.253 0.0102 0.56 0.6985 0.9914 2067639 IFLab1_003623 C/C(=C(/C#N)\c1nnc2CCCCCn12)/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E16 compound treatment 0.246 6.77E-4 0.03 0.249 0.0062 0.34 0.264 0.773 2067640 IFLab1_003624 CC1CSC(=N1)Nc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E17 compound treatment 0.259 0.0137 0.68 0.262 0.0192 1.05 1.222 0.977 2067641 IFLab1_003625 Cc1n[n+](CC(=O)c2ccc(Br)cc2)c(N)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E18 compound treatment 0.264 0.0187 0.92 0.268 0.0252 1.38 1.6292 0.9807 2067642 IFLab1_003626 O=C(Oc1ccccc1)Oc2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E19 compound treatment 0.249 0.00368 0.18 0.247 0.0042 0.23 0.2912 0.9931 1149978 IFLab1_003627 OC(=O)c1ccc(CNC2CCS(=O)(=O)C2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E20 compound treatment 0.246 6.77E-4 0.03 0.253 0.0102 0.56 0.4191 0.7481 2067643 IFLab1_003628 CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E21 compound treatment 0.291 0.0457 2.26 0.276 0.0332 1.82 2.8821 0.9943 1420932 IFLab1_003629 NS(=O)(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E22 compound treatment 0.282 0.0367 1.81 0.295 0.0522 2.86 3.3045 0.9756 1403291 IFLab1_003630 COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E23 mock treatment 0.244 -0.00132 -0.07 0.243 2.0E-4 0.01 -0.0384 -0.5803 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 E24 mock treatment 0.245 -3.23E-4 -0.02 0.242 -8.0E-4 -0.04 -0.0423 -0.906 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F01 compound treatment 0.248 0.00268 0.13 0.243 2.0E-4 0.01 0.1012 0.7631 2067644 IFLab1_003631 C1CN=C(Nc2ccccc2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F02 compound treatment 0.251 0.00568 0.28 0.253 0.0102 0.56 0.5937 0.949 1431348 IFLab1_003632 Oc1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F03 compound treatment 0.256 0.0107 0.53 0.257 0.0142 0.78 0.9234 0.982 1512484 IFLab1_003633 OC(=O)c1ccc(cc1)n2c(cc3C(=O)CCCc32)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F04 compound treatment 0.254 0.00868 0.43 0.255 0.0122 0.67 0.776 0.9768 1486736 IFLab1_003634 Cc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F05 compound treatment 0.258 0.0127 0.63 0.252 0.0092 0.5 0.7994 0.9943 2067645 IFLab1_003635 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)/C=C/c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F06 compound treatment 0.248 0.00268 0.13 0.257 0.0142 0.78 0.644 0.8155 2067646 IFLab1_003636 Clc1ccc(cc1)C(=O)CSc2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F07 compound treatment 0.264 0.0187 0.92 0.257 0.0142 0.78 1.2027 0.9964 1637291 IFLab1_003637 O=C(CCc1ccccc1)Nc2ccc3sccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F08 compound treatment 0.267 0.0217 1.07 0.257 0.0142 0.78 1.3075 0.9878 1502473 IFLab1_003638 NC(=O)c1oc2ccccc2c1NC(=O)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F09 compound treatment 0.253 0.00768 0.38 0.259 0.0162 0.89 0.8962 0.9279 1560840 IFLab1_003639 O=S(=O)(N1CCc2ccccc2C1)c3cccc4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F10 compound treatment 0.257 0.0117 0.58 0.255 0.0122 0.67 0.8808 0.9973 1179572 IFLab1_003640 COc1cccc2sc(=NC(=O)C3CCCCC3)n(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F11 compound treatment 0.254 0.00868 0.43 0.257 0.0142 0.78 0.8535 0.9604 2067647 IFLab1_003641 Nc1ccc(cc1)S(=O)(=O)/N=C/2\CCCCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F12 compound treatment 0.249 0.00368 0.18 0.259 0.0162 0.89 0.7565 0.8344 1682798 IFLab1_003642 Cc1c(Cl)ccc(c1Cl)S(=O)(=O)Nc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F13 compound treatment 0.277 0.0317 1.56 0.284 0.0412 2.26 2.7035 0.9839 1211371 IFLab1_003643 CCOC(=O)c1c(C)oc2cc(Br)c(O)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F14 compound treatment 0.255 0.00968 0.48 0.258 0.0152 0.83 0.9272 0.9652 1205440 IFLab1_003644 COc1cccc(OCC(O)CN2CCCCC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F15 compound treatment 0.253 0.00768 0.38 0.261 0.0182 1.0 0.9737 0.9121 1298587 IFLab1_003645 CC(C)(C)c1ccc(cc1)C(=O)N2CCCCCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F16 compound treatment 0.254 0.00868 0.43 0.261 0.0182 1.0 1.0086 0.9287 1699254 IFLab1_003646 OCCN1CCN(CC(O)COCc2ccc(Cl)cc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F17 compound treatment 0.275 0.0297 1.47 0.266 0.0232 1.27 1.9357 0.9975 2067648 IFLab1_003647 O=C/1N(C(=S)S\C1=C/c2cccnc2)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F18 compound treatment 0.258 0.0127 0.63 0.261 0.0182 1.0 1.1483 0.9748 1181961 IFLab1_003648 COc1cccc(OC)c1OCC(O)CN2CCN(C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F19 compound treatment 0.253 0.00768 0.38 0.245 0.0022 0.12 0.3534 0.8882 1705677 IFLab1_003649 CC(C)c1ccc(OCC(C)NC(=O)c2ccc(Br)o2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F20 compound treatment 0.283 0.0377 1.86 0.292 0.0492 2.7 3.2231 0.9836 1667146 IFLab1_003650 Oc1c(ccc2cccnc12)C(Nc3ccc(F)cc3)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F21 compound treatment 0.255 0.00968 0.48 0.256 0.0132 0.72 0.8497 0.9797 1613489 IFLab1_003651 CCC(=O)Oc1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F22 compound treatment 0.253 0.00768 0.38 0.252 0.0092 0.5 0.6248 0.9901 1705192 IFLab1_003652 Clc1ccc(cc1)C2CC(=O)n3c(S2)nc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F23 mock treatment 0.256 0.0107 0.53 0.253 0.0102 0.56 0.7683 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 F24 mock treatment 0.251 0.00568 0.28 0.244 0.0012 0.07 0.2448 0.85 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G01 compound treatment 0.245 -3.23E-4 -0.02 0.241 -0.0018 -0.1 -0.0811 -0.8107 2067649 IFLab1_003653 Cc1cc(C)c(C(=O)NCCCN2CCOCC2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G02 compound treatment 0.261 0.0157 0.77 0.263 0.0202 1.11 1.3306 0.9847 2067650 IFLab1_003654 CCn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G03 compound treatment 0.244 -0.00132 -0.07 0.242 -8.0E-4 -0.04 -0.0772 -0.9812 1341016 IFLab1_003655 COc1ccc(I)cc1S(=O)(=O)NCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G04 compound treatment 0.249 0.00368 0.18 0.25 0.0072 0.39 0.4076 0.9379 1086344 IFLab1_003656 C=CS(=O)(=O)Cc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G05 compound treatment 0.245 -3.23E-4 -0.02 0.241 -0.0018 -0.1 -0.0811 -0.8107 1480776 IFLab1_003657 COc1ccc(C)cc1S(=O)(=O)n2nnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G06 compound treatment 0.253 0.00768 0.38 0.262 0.0192 1.05 1.0125 0.9049 2067651 IFLab1_003658 FC(F)(F)c1cccc(Nc2nnc(s2)c3cc4ccccc4oc3=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G07 compound treatment 0.252 0.00668 0.33 0.252 0.0092 0.5 0.5899 0.9788 1271620 IFLab1_003659 COC(=O)c1sc(cc1NC(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G08 compound treatment 0.262 0.0167 0.82 0.262 0.0192 1.05 1.3267 0.9926 2067652 IFLab1_003660 Cc1nc(cs1)c2ccc(/N=C/c3cc(Br)ccc3O)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G09 compound treatment 0.25 0.00468 0.23 0.25 0.0072 0.39 0.4425 0.9674 2067653 IFLab1_003661 C=CCn1c(Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G10 compound treatment 0.25 0.00468 0.23 0.261 0.0182 1.0 0.8689 0.8483 1416878 IFLab1_003662 COC(=O)c1sc2ccccc2c1NC(=O)COc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G11 compound treatment 0.248 0.00268 0.13 0.245 0.0022 0.12 0.1788 0.999 1590989 IFLab1_003663 CCc1cccc(CC)c1N(COC)C(=O)Cn2c(nc3ccccc23)C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G12 compound treatment 0.258 0.0127 0.63 0.268 0.0252 1.38 1.4197 0.9359 1503144 IFLab1_003664 CC(=O)n1c(N)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G13 compound treatment 0.25 0.00468 0.23 0.237 -0.0058 -0.32 -0.0615 -0.1566 2067654 IFLab1_003665 CC(C)N(C(=O)CSc1nnc(o1)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G14 compound treatment 0.264 0.0187 0.92 0.272 0.0292 1.6 1.7843 0.9657 2067655 IFLab1_003666 Brc1cccc(c1)c2nnc(Nc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G15 compound treatment 0.253 0.00768 0.38 0.249 0.0062 0.34 0.5085 0.9985 2067656 IFLab1_003667 Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)/SC2=S)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G16 compound treatment 0.24 -0.00532 -0.26 0.243 2.0E-4 0.01 -0.1781 -0.677 1547461 IFLab1_003668 CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(O)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G17 compound treatment 0.261 0.0157 0.77 0.258 0.0152 0.83 1.1367 0.9993 2067657 IFLab1_003669 N#CCc1ncc(CSc2nnnn2c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G18 compound treatment 0.285 0.0397 1.96 0.262 0.0192 1.05 2.1298 0.9576 1007899 IFLab1_003670 O=C(Oc1ccc2ccccc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G19 compound treatment 0.256 0.0107 0.53 0.248 0.0052 0.29 0.5744 0.9583 1476561 IFLab1_003671 CN1CCN(CC1)C(=O)COc2ccc(Oc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G20 compound treatment 0.266 0.0207 1.02 0.274 0.0312 1.71 1.9317 0.9696 1376608 IFLab1_003672 OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G21 compound treatment 0.257 0.0117 0.58 0.255 0.0122 0.67 0.8808 0.9973 1532797 IFLab1_003673 CCOC(=O)Cc1csc(NC(=O)COc2cccc3ccccc23)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G22 compound treatment 0.248 0.00268 0.13 0.257 0.0142 0.78 0.644 0.8155 1730280 IFLab1_003674 O=C(Oc1ccccc1)Oc2ccc3ccc(=O)oc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G23 mock treatment 0.25 0.00468 0.23 0.245 0.0022 0.12 0.2486 0.9541 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 G24 mock treatment 0.243 -0.00232 -0.11 0.246 0.0032 0.18 0.043 0.205 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H01 compound treatment 0.245 -3.23E-4 -0.02 0.242 -8.0E-4 -0.04 -0.0423 -0.906 1666173 IFLab1_003675 O=C1C(CN2CCCCC2)CCCC1CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H02 compound treatment 0.248 0.00268 0.13 0.247 0.0042 0.23 0.2563 0.9653 1172015 IFLab1_003676 CC1=CCC2C(C1)C(=O)N(C2=O)c3ccc(O)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H03 compound treatment 0.252 0.00668 0.33 0.254 0.0112 0.61 0.6674 0.9575 2067658 IFLab1_003677 Clc1ccc(cc1)C2C=C(Nc3ncnn23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H04 compound treatment 0.249 0.00368 0.18 0.249 0.0062 0.34 0.3688 0.9569 1328685 IFLab1_003678 COc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H05 compound treatment 0.294 0.0487 2.4 0.285 0.0422 2.31 3.3358 0.9998 2067659 IFLab1_003679 COC(=O)c1sc2ccccc2c1NC(=O)c3ccc(Br)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H06 compound treatment 0.233 -0.0123 -0.61 0.234 -0.0088 -0.48 -0.7715 -0.9934 1111757 IFLab1_003680 Fc1ccc(cc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H07 compound treatment 0.257 0.0117 0.58 0.257 0.0142 0.78 0.9583 0.9891 1734773 IFLab1_003681 O=C(CN1C(=O)CCC1=O)Nc2ccc3sccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H08 compound treatment 0.253 0.00768 0.38 0.254 0.0112 0.61 0.7023 0.9731 1304791 IFLab1_003682 COc1cccc2sc(=NC(=O)c3cccc4ccccc34)n(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H09 compound treatment 0.259 0.0137 0.68 0.257 0.0142 0.78 1.0281 0.9975 1621309 IFLab1_003683 Cc1ccccc1NC(=O)CSc2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H10 compound treatment 0.257 0.0117 0.58 0.26 0.0172 0.94 1.0746 0.9721 1634225 IFLab1_003684 Cc1ccc(cc1C)C(=O)Nc2c(oc3ccccc23)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H11 compound treatment 0.247 0.00168 0.08 0.25 0.0072 0.39 0.3377 0.8372 2067660 IFLab1_003685 Cc1ccccc1NC(=O)CSC2=NCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H12 compound treatment 0.252 0.00668 0.33 0.243 2.0E-4 0.01 0.2409 0.7302 1650383 IFLab1_003686 CCC1CCCCN1S(=O)(=O)c2ccc3cc(OC)ccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H13 compound treatment 0.265 0.0197 0.97 0.265 0.0222 1.22 1.5478 0.9938 1536420 IFLab1_003687 CCOC(=O)c1c(C)oc2cc(Br)c(OCC#N)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H14 compound treatment 0.246 6.77E-4 0.03 0.253 0.0102 0.56 0.4191 0.7481 1634405 IFLab1_003688 COc1cccc(OCC(O)CN2CC(C)CC(C)C2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H15 compound treatment 0.263 0.0177 0.87 0.269 0.0262 1.44 1.633 0.9715 2067661 IFLab1_003689 COC(=O)c1c(NC(=O)CCNCc2ccco2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H16 compound treatment 0.255 0.00968 0.48 0.253 0.0102 0.56 0.7334 0.9969 1404662 IFLab1_003690 CCOC(=O)C1CCN(CC(O)COCc2ccc(Cl)cc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H17 compound treatment 0.254 0.00868 0.43 0.27 0.0272 1.49 1.3576 0.8749 2067662 IFLab1_003691 Cc1sc2ncnc(SCC(=O)c3ccc4OCCOc4c3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H18 compound treatment 0.259 0.0137 0.68 0.255 0.0122 0.67 0.9506 1.0 1544274 IFLab1_003692 CC1CCCCN1CC(O)COc2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H19 compound treatment 0.249 0.00368 0.18 0.257 0.0142 0.78 0.6789 0.8492 1291788 IFLab1_003693 CC(C)(C)c1csc(NC(=O)c2ccc(Br)o2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H20 compound treatment 0.246 6.77E-4 0.03 0.249 0.0062 0.34 0.264 0.773 1455013 IFLab1_003694 CC1(C)CC(CC(C)(C)N1)NC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H21 compound treatment 0.247 0.00168 0.08 0.256 0.0132 0.72 0.5703 0.7829 2067663 IFLab1_003695 COC(=O)c1ccc(cc1)N2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H22 compound treatment 0.251 0.00568 0.28 0.244 0.0012 0.07 0.2448 0.85 1158912 IFLab1_003696 COc1ccc(cc1)C2CC(=O)n3c(S2)nc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H23 mock treatment 0.247 0.00168 0.08 0.256 0.0132 0.72 0.5703 0.7829 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 H24 mock treatment 0.259 0.0137 0.68 0.243 2.0E-4 0.01 0.4853 0.7185 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I01 compound treatment 0.238 -0.00732 -0.36 0.253 0.0102 0.56 0.1398 0.2099 2067664 IFLab1_003697 CC(C)c1cc(C(C)C)c(S(=O)NCCCN2CCOCC2)c(c1)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I02 compound treatment 0.247 0.00168 0.08 0.249 0.0062 0.34 0.2989 0.8544 2067665 IFLab1_003698 CC(C)n1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I03 compound treatment 0.261 0.0157 0.77 0.26 0.0172 0.94 1.2143 0.9952 1218592 IFLab1_003699 COc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I04 compound treatment 0.252 0.00668 0.33 0.251 0.0082 0.45 0.5511 0.9884 2067666 IFLab1_003700 Brc1cccc(c1)S(=O)(=O)C=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I05 compound treatment 0.25 0.00468 0.23 0.252 0.0092 0.5 0.52 0.9373 1119800 IFLab1_003701 CCC(=O)Nc1c2CSCc2nn1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I06 compound treatment 0.242 -0.00332 -0.16 0.248 0.0052 0.29 0.0856 0.2602 1216791 IFLab1_003702 C1CSC(N1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I07 compound treatment 0.274 0.0287 1.42 0.278 0.0352 1.93 2.3661 0.9884 1129857 IFLab1_003703 COC(=O)c1sc(cc1NC(=O)C2CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I08 compound treatment 0.266 0.0207 1.02 0.264 0.0212 1.16 1.5439 0.9979 1217935 IFLab1_003704 Cc1nc(cs1)c2cccc(N)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I09 compound treatment 0.253 0.00768 0.38 0.253 0.0102 0.56 0.6635 0.9821 2067667 IFLab1_003705 CCn1c(Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I10 compound treatment 0.269 0.0237 1.17 0.267 0.0242 1.33 1.765 0.998 1464364 IFLab1_003706 COC(=O)c1sc2ccccc2c1NC(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I11 compound treatment 0.248 0.00268 0.13 0.251 0.0082 0.45 0.4114 0.8779 1535035 IFLab1_003707 CC(C)N(C(=O)Cn1c(C)nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I12 compound treatment 0.252 0.00668 0.33 0.254 0.0112 0.61 0.6674 0.9575 1073760 IFLab1_003708 COc1ccc(NC2=NCCS2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I13 compound treatment 0.251 0.00568 0.28 0.261 0.0182 1.0 0.9039 0.872 2067668 IFLab1_003709 Cc1nnc(SCC(=O)Nc2ccccc2)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I14 compound treatment 0.256 0.0107 0.53 0.256 0.0132 0.72 0.8846 0.9879 1344074 IFLab1_003710 CC(C)N(C(=O)Cn1c(=N)sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I15 compound treatment 0.252 0.00668 0.33 0.254 0.0112 0.61 0.6674 0.9575 1379574 IFLab1_003711 CCOC(=O)CSc1nc2ccccc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I16 compound treatment 0.264 0.0187 0.92 0.267 0.0242 1.33 1.5904 0.9842 2067669 IFLab1_003712 Clc1ccccc1C(=O)Oc2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I17 compound treatment 0.265 0.0197 0.97 0.26 0.0172 0.94 1.3539 0.9999 1735150 IFLab1_003713 N#CCc1ncc(CSc2nc3ccccc3[nH]2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I18 compound treatment 0.254 0.00868 0.43 0.25 0.0072 0.39 0.5821 0.9992 1013810 IFLab1_003714 O=C1OC2(CCCCC2)OC1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I19 compound treatment 0.243 -0.00232 -0.11 0.259 0.0162 0.89 0.547 0.6107 1228915 IFLab1_003715 COc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I20 compound treatment 0.272 0.0267 1.32 0.278 0.0352 1.93 2.2962 0.9827 1248295 IFLab1_003716 CN(C)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I21 compound treatment 0.257 0.0117 0.58 0.256 0.0132 0.72 0.9195 0.9937 1296632 IFLab1_003717 OC(=O)CNC(=O)COc1cccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I22 compound treatment 0.253 0.00768 0.38 0.251 0.0082 0.45 0.586 0.9964 2067670 IFLab1_003718 CN1CCN(CC1)c2cc(C)ncn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I23 mock treatment 0.254 0.00868 0.43 0.252 0.0092 0.5 0.6597 0.9967 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 I24 mock treatment 0.256 0.0107 0.53 0.247 0.0042 0.23 0.5357 0.931 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J01 compound treatment 0.227 -0.0183 -0.9 0.218 -0.0248 -1.36 -1.6013 -0.9804 1357445 IFLab1_003719 CC1(C)COC(=O)C1OC(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J02 compound treatment 0.246 6.77E-4 0.03 0.251 0.0082 0.45 0.3416 0.7576 2067671 IFLab1_003720 CC(=C)C(=O)Oc1ccc(cc1)N2Cc3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J03 compound treatment 0.257 0.0117 0.58 0.252 0.0092 0.5 0.7644 0.9978 1673475 IFLab1_003721 CCc1nc(c2ccccc2)c3ccccn13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J04 compound treatment 0.251 0.00568 0.28 0.251 0.0082 0.45 0.5162 0.9742 2067672 IFLab1_003722 CCc1nnc2SCC(=Nn12)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J05 compound treatment 0.262 0.0167 0.82 0.267 0.0242 1.33 1.5206 0.9737 2067673 IFLab1_003723 COC(=O)c1sc2ccccc2c1NC(=O)c3cc(Cl)sc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J06 compound treatment 0.248 0.00268 0.13 0.255 0.0122 0.67 0.5665 0.8308 2067674 IFLab1_003724 Fc1ccc(NC2=NC(=O)/C(=C\c3ccc4OCOc4c3)/S2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J07 compound treatment 0.251 0.00568 0.28 0.248 0.0052 0.29 0.3999 1.0 1605554 IFLab1_003725 O=C(Nc1ccc2sccc2c1)c3cccc(c3)N4C(=O)CCC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J08 compound treatment 0.257 0.0117 0.58 0.256 0.0132 0.72 0.9195 0.9937 1647947 IFLab1_003726 COc1cccc2sc(=NC(=O)c3ccc(C#N)cc3)n(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J09 compound treatment 0.254 0.00868 0.43 0.249 0.0062 0.34 0.5434 0.9934 2067675 IFLab1_003727 OC(=O)c1ccccc1SCC(=O)Nc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J10 compound treatment 0.239 -0.00632 -0.31 0.251 0.0082 0.45 0.0971 0.1775 1316524 IFLab1_003728 COC(=O)c1ccc(cc1)C(=O)N=c2sc3cc(F)ccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J11 compound treatment 0.248 0.00268 0.13 0.244 0.0012 0.07 0.14 0.9481 2067676 IFLab1_003729 COc1ccc(NC(=O)CSC2=NCCN2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J12 compound treatment 0.238 -0.00732 -0.36 0.241 -0.0018 -0.1 -0.3255 -0.8683 1447150 IFLab1_003730 COc1cc(C)c(cc1S(=O)(=O)N2CCCC(C)C2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J13 compound treatment 0.385 0.14 6.9 0.399 0.156 8.56 10.9332 0.9942 2067677 IFLab1_003731 COc1ccc(/C=C/C(=O)Nc2sc3CCCCc3c2C(=O)N)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J14 compound treatment 0.245 -3.23E-4 -0.02 0.252 0.0092 0.5 0.3454 0.6844 1637379 IFLab1_003732 CCN1CCN(CC(O)COc2cccc(OC)c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J15 compound treatment 0.308 0.0627 3.1 0.301 0.0582 3.19 4.445 0.9999 2067678 IFLab1_003733 Cc1ccc(/C=C\2/SC(=S)N(C2=O)c3ccc(cc3)S(=O)(=O)N)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J16 compound treatment 0.251 0.00568 0.28 0.259 0.0162 0.89 0.8263 0.8872 1303213 IFLab1_003734 CN1CCN(CC(O)COc2ccc(cc2)C3CCCCC3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J17 compound treatment 0.259 0.0137 0.68 0.258 0.0152 0.83 1.0669 0.9946 1246133 IFLab1_003735 CCC(CO)Nc1nc(C)nc2sc3CCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J18 compound treatment 0.253 0.00768 0.38 0.25 0.0072 0.39 0.5472 0.9998 1283409 IFLab1_003736 CC1CCCCN1CC(O)COc2c(F)cc(Br)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J19 compound treatment 0.246 6.77E-4 0.03 0.251 0.0082 0.45 0.3416 0.7576 1562712 IFLab1_003737 O=C1C2C3CC(C=C3)C2C(=O)N1c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J20 compound treatment 0.252 0.00668 0.33 0.251 0.0082 0.45 0.5511 0.9884 2067679 IFLab1_003738 O=C/1Oc2ccccc2C(=O)\C1=C\NN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J21 compound treatment 0.251 0.00568 0.28 0.253 0.0102 0.56 0.5937 0.949 1327796 IFLab1_003739 OC(=O)CCCN1C(=O)C2C3CC(C=C3)C2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J22 compound treatment 0.251 0.00568 0.28 0.249 0.0062 0.34 0.4386 0.9954 1421681 IFLab1_003740 OC(=O)C1CCN(CC1)S(=O)(=O)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J23 mock treatment 0.247 0.00168 0.08 0.248 0.0052 0.29 0.2602 0.8763 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 J24 mock treatment 0.247 0.00168 0.08 0.239 -0.0038 -0.21 -0.0888 -0.3959 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K01 compound treatment 0.222 -0.0233 -1.15 0.231 -0.0118 -0.65 -1.2719 -0.9628 1597075 IFLab1_003741 Cc1ccc(c(C)c1)S(=O)(=O)n2cnc3cc(C)c(C)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K02 compound treatment 0.264 0.0187 0.92 0.266 0.0232 1.27 1.5517 0.9875 2067680 IFLab1_003742 CCCn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K03 compound treatment 0.25 0.00468 0.23 0.251 0.0082 0.45 0.4812 0.9521 2067681 IFLab1_003743 Clc1ccc2n(nnc2c1)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K04 compound treatment 0.252 0.00668 0.33 0.253 0.0102 0.56 0.6286 0.9683 1643138 IFLab1_003744 O=S1(=O)CCC(C1)NC(=S)SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K05 compound treatment 0.25 0.00468 0.23 0.251 0.0082 0.45 0.4812 0.9521 1547490 IFLab1_003745 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K06 compound treatment 0.245 -3.23E-4 -0.02 0.253 0.0102 0.56 0.3842 0.6867 1294431 IFLab1_003746 COc1ccc(cc1)C2SCCN2S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K07 compound treatment 0.253 0.00768 0.38 0.258 0.0152 0.83 0.8574 0.9364 1655407 IFLab1_003747 COC(=O)c1sc(cc1NC(=O)C2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K08 compound treatment 0.272 0.0267 1.32 0.264 0.0212 1.16 1.7535 0.9981 1583005 IFLab1_003748 COc1ccccc1C(=O)Nc2ccc(cc2)c3csc(C)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K09 compound treatment 0.25 0.00468 0.23 0.248 0.0052 0.29 0.3649 0.9945 2067682 IFLab1_003749 CCCCn1c(nc2ccccc12)C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K10 compound treatment 0.263 0.0177 0.87 0.26 0.0172 0.94 1.2841 0.9993 1479098 IFLab1_003750 O=C(Nc1ncc(s1)c2ccccc2)c3cccc(c3)N4C(=O)CCC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K11 compound treatment 0.247 0.00168 0.08 0.246 0.0032 0.18 0.1826 0.9413 1157513 IFLab1_003751 CC(C)N(C(=O)Cn1c(CO)nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K12 compound treatment 0.259 0.0137 0.68 0.265 0.0222 1.22 1.3383 0.9614 2067683 IFLab1_003752 CCOc1ccc(cc1)n2nnnc2SCC(=O)c3c(C)cc(C)cc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K13 compound treatment 0.245 -3.23E-4 -0.02 0.255 0.0122 0.67 0.4617 0.6901 1467007 IFLab1_003753 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K14 compound treatment 0.246 6.77E-4 0.03 0.243 2.0E-4 0.01 0.0314 0.8922 2067684 IFLab1_003754 COc1ccc(NC(=O)CSc2nnc(C)n2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K15 compound treatment 0.243 -0.00232 -0.11 0.253 0.0102 0.56 0.3144 0.5506 1301130 IFLab1_003755 O=C(CSc1nc2ccccc2c(=O)n1c3ccccc3)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K16 compound treatment 0.25 0.00468 0.23 0.257 0.0142 0.78 0.7139 0.879 1621327 IFLab1_003756 OC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K17 compound treatment 0.254 0.00868 0.43 0.254 0.0112 0.61 0.7372 0.9845 1550526 IFLab1_003757 O=C(N1CCCC1)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K18 compound treatment 0.247 0.00168 0.08 0.249 0.0062 0.34 0.2989 0.8544 1036303 IFLab1_003758 COc1ccc(NS(=O)(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K19 compound treatment 0.244 -0.00132 -0.07 0.25 0.0072 0.39 0.233 0.5822 1138357 IFLab1_003759 Cc1ccc(Oc2ccc(OCC(=O)NCC3CCCO3)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K20 compound treatment 0.28 0.0347 1.71 0.295 0.0522 2.86 3.2347 0.9698 1260052 IFLab1_003760 CC1CCN(CC1)S(=O)(=O)c2ccc3NC(=O)c4cccc2c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K21 compound treatment 0.277 0.0317 1.56 0.294 0.0512 2.81 3.0912 0.9619 1661854 IFLab1_003761 OCCSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K22 compound treatment 0.253 0.00768 0.38 0.25 0.0072 0.39 0.5472 0.9998 1442345 IFLab1_003762 CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K23 mock treatment 0.25 0.00468 0.23 0.25 0.0072 0.39 0.4425 0.9674 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 K24 mock treatment 0.254 0.00868 0.43 0.25 0.0072 0.39 0.5821 0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L01 compound treatment 0.255 0.00968 0.48 0.256 0.0132 0.72 0.8497 0.9797 1421062 IFLab1_003763 CCN1CCN(Cc2oc(CO)cc(=O)c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L02 compound treatment 0.251 0.00568 0.28 0.251 0.0082 0.45 0.5162 0.9742 1742285 IFLab1_003764 CC(=O)Oc1cccc(c1)N2Cc3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L03 compound treatment 0.252 0.00668 0.33 0.257 0.0142 0.78 0.7837 0.9269 1590090 IFLab1_003765 COc1cccc2cc(c3nc4ccccc4s3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L04 compound treatment 0.279 0.0337 1.66 0.274 0.0312 1.71 2.3856 0.9999 2067685 IFLab1_003766 FC(F)(F)c1nnc2SCC(=Nn12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L05 compound treatment 0.252 0.00668 0.33 0.253 0.0102 0.56 0.6286 0.9683 1623297 IFLab1_003767 O=C(Nc1ccc2sccc2c1)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L06 compound treatment 0.258 0.0127 0.63 0.255 0.0122 0.67 0.9157 0.9995 2067686 IFLab1_003768 Oc1ccc(/C=C\2/SC(=NC2=O)Nc3cccnc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L07 compound treatment 0.292 0.0467 2.3 0.28 0.0372 2.04 3.0721 0.9981 2067687 IFLab1_003769 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3sccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L08 compound treatment 0.262 0.0167 0.82 0.262 0.0192 1.05 1.3267 0.9926 1691783 IFLab1_003770 NC(=O)c1oc2ccccc2c1NC(=O)Cc3cccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L09 compound treatment 0.257 0.0117 0.58 0.251 0.0082 0.45 0.7257 0.9924 1429998 IFLab1_003771 Cc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nnc4CCCCCn34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L10 compound treatment 0.25 0.00468 0.23 0.251 0.0082 0.45 0.4812 0.9521 1920805 IFLab1_003772 CCOC(=O)CSc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L11 compound treatment 0.244 -0.00132 -0.07 0.252 0.0092 0.5 0.3105 0.6105 1481544 IFLab1_003773 Brc1ccc(OCc2nnc3CCCCCn23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L12 compound treatment 0.249 0.00368 0.18 0.256 0.0132 0.72 0.6402 0.8579 1230624 IFLab1_003774 CC1CN(CCN1C(=O)c2cccs2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L13 compound treatment 0.246 6.77E-4 0.03 0.251 0.0082 0.45 0.3416 0.7576 2067688 IFLab1_003775 Cc1noc(C)c1CSc2ncnc3sc4CCCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L14 compound treatment 0.257 0.0117 0.58 0.261 0.0182 1.0 1.1134 0.966 1568403 IFLab1_003776 COc1cccc(OCC(O)CN2CCN(CC2)c3ccc(F)cc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L15 compound treatment 0.322 0.0767 3.79 0.304 0.0612 3.36 5.0502 0.9982 2067689 IFLab1_003777 NS(=O)(=O)c1ccc(cc1)N2C(=O)/C(=C\C=C\c3ccccc3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L16 compound treatment 0.254 0.00868 0.43 0.262 0.0192 1.05 1.0474 0.9215 1585215 IFLab1_003778 CCN1CCN(CC(O)COc2ccc(cc2)C3CCCCC3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L17 compound treatment 0.255 0.00968 0.48 0.26 0.0172 0.94 1.0048 0.9504 2067690 IFLab1_003779 Cc1sc2ncnc(Sc3ccccc3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L18 compound treatment 0.256 0.0107 0.53 0.254 0.0112 0.61 0.8071 0.9971 1457194 IFLab1_003780 CC1CCCCN1CC(O)COc2cc(C)c(Cl)c(C)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L19 compound treatment 0.251 0.00568 0.28 0.257 0.0142 0.78 0.7488 0.9049 1396726 IFLab1_003781 CC(C)CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L20 compound treatment 0.259 0.0137 0.68 0.277 0.0342 1.88 1.8035 0.9049 2067691 IFLab1_003782 COc1ccc(N/C=C/2\C(=O)OC(=CC2=O)C)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L21 compound treatment 0.254 0.00868 0.43 0.251 0.0082 0.45 0.6209 0.9997 1156241 IFLab1_003783 CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L22 compound treatment 0.252 0.00668 0.33 0.244 0.0012 0.07 0.2797 0.8318 1271483 IFLab1_003784 Fc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L23 mock treatment 0.256 0.0107 0.53 0.256 0.0132 0.72 0.8846 0.9879 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 L24 mock treatment 0.253 0.00768 0.38 0.243 2.0E-4 0.01 0.2758 0.7273 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M01 compound treatment 0.212 -0.0333 -1.65 0.244 0.0012 0.07 -1.117 -0.6783 1722879 IFLab1_003785 O=C(NCc1ccc2OCOc2c1)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M02 compound treatment 0.239 -0.00632 -0.31 0.24 -0.0028 -0.15 -0.3293 -0.9466 2067692 IFLab1_003786 CC(C)Cn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M03 compound treatment 0.244 -0.00132 -0.07 0.249 0.0062 0.34 0.1942 0.561 1334268 IFLab1_003787 COc1ccc(OC)c(c1)S(=O)(=O)N2C(C)CCCC2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M04 compound treatment 0.251 0.00568 0.28 0.249 0.0062 0.34 0.4386 0.9954 1337692 IFLab1_003788 O=C(NC1CS(=O)(=O)C=C1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M05 compound treatment 0.262 0.0167 0.82 0.269 0.0262 1.44 1.5981 0.9651 1555709 IFLab1_003789 Cc1cc(C)cc(c1)n2nc3CSCc3c2NC(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M06 compound treatment 0.253 0.00768 0.38 0.261 0.0182 1.0 0.9737 0.9121 1577333 IFLab1_003790 OCCNC(=O)c1cc2cc(Br)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M07 compound treatment 0.292 0.0467 2.3 0.278 0.0352 1.93 2.9946 0.9961 1552568 IFLab1_003791 O=C(Cc1ccccc1)Nc2nc(cs2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M08 compound treatment 0.289 0.0437 2.16 0.253 0.0102 0.56 1.9206 0.862 1670918 IFLab1_003792 Cc1nc(sc1C(=O)Nc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M09 compound treatment 0.249 0.00368 0.18 0.252 0.0092 0.5 0.4851 0.9048 1030469 IFLab1_003793 CC(O)c1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M10 compound treatment 0.255 0.00968 0.48 0.255 0.0122 0.67 0.8109 0.9864 1299003 IFLab1_003794 CCC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M11 compound treatment 0.245 -3.23E-4 -0.02 0.247 0.0042 0.23 0.1516 0.6566 1699317 IFLab1_003795 CC(C)N(C(=O)Cn1c(nc2ccccc12)C(C)O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M12 compound treatment 0.252 0.00668 0.33 0.247 0.0042 0.23 0.396 0.9846 1504395 IFLab1_003796 CC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M13 compound treatment 0.242 -0.00332 -0.16 0.257 0.0142 0.78 0.4345 0.5461 2067693 IFLab1_003797 CCOc1ccc(cc1)C(=O)CSc2nnc(CC)n2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M14 compound treatment 0.262 0.0167 0.82 0.265 0.0222 1.22 1.443 0.9819 2067694 IFLab1_003798 c1csc(c1)c2cn3ccsc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M15 compound treatment 0.277 0.0317 1.56 0.272 0.0292 1.6 2.2382 0.9999 1406732 IFLab1_003799 OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M16 compound treatment 0.247 0.00168 0.08 0.251 0.0082 0.45 0.3765 0.8235 1032066 IFLab1_003800 Cc1ccccc1NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M17 compound treatment 0.266 0.0207 1.02 0.27 0.0272 1.49 1.7766 0.9829 2067695 IFLab1_003801 Cc1ccc(cc1)C(=O)CSc2nnnn2c3cccc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M18 compound treatment 0.254 0.00868 0.43 0.255 0.0122 0.67 0.776 0.9768 1463364 IFLab1_003802 CCOc1ccc(cc1)S(=O)(=O)N2CCC(C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M19 compound treatment 0.249 0.00368 0.18 0.248 0.0052 0.29 0.33 0.9763 1369379 IFLab1_003803 CC1CCCC(C)N1C(=O)COc2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M20 compound treatment 0.282 0.0367 1.81 0.32 0.0772 4.23 4.2738 0.9283 1641505 IFLab1_003804 CCOc1ccc(cc1)S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M21 compound treatment 0.25 0.00468 0.23 0.267 0.0242 1.33 1.1016 0.8179 2067696 IFLab1_003805 CN(C)c1nc(c2ccccc2)c3cc(Cl)ccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M22 compound treatment 0.25 0.00468 0.23 0.252 0.0092 0.5 0.52 0.9373 2067697 IFLab1_003806 COC(=O)CN1CCN(CC1)S(=O)(=O)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M23 mock treatment 0.248 0.00268 0.13 0.251 0.0082 0.45 0.4114 0.8779 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 M24 mock treatment 0.248 0.00268 0.13 0.237 -0.0058 -0.32 -0.1314 -0.3815 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N01 compound treatment 0.243 -0.00232 -0.11 0.246 0.0032 0.18 0.043 0.205 1262773 IFLab1_003807 OC(c1ccc2OCOc2c1)c3nccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N02 compound treatment 0.239 -0.00632 -0.31 0.244 0.0012 0.07 -0.1742 -0.5461 2067698 IFLab1_003808 COC(=O)c1ccc(NC(=O)CSC2=NCCN2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N03 compound treatment 0.241 -0.00432 -0.21 0.24 -0.0028 -0.15 -0.2595 -0.9869 1162882 IFLab1_003809 Cc1[nH]c2ccccc2c1C(N3CCOCC3)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N04 compound treatment 0.243 -0.00232 -0.11 0.244 0.0012 0.07 -0.0346 -0.2615 1283766 IFLab1_003810 Cc1n[nH]c(O)c1C2=NCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N05 compound treatment 0.251 0.00568 0.28 0.258 0.0152 0.83 0.7876 0.8957 2067699 IFLab1_003811 O=C(Nc1ccc2sccc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N06 compound treatment 0.243 -0.00232 -0.11 0.25 0.0072 0.39 0.198 0.4818 2067700 IFLab1_003812 COC(=O)c1ccc(/C=C\2/SC(=NC2=O)Nc3cccnc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N07 compound treatment 0.318 0.0727 3.59 0.309 0.0662 3.63 5.1043 1.0 1237264 IFLab1_003813 CSc1nc2ccc3nc(N)sc3c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N08 compound treatment 0.243 -0.00232 -0.11 0.247 0.0042 0.23 0.0817 0.3177 1137905 IFLab1_003814 Cc1ccc2n(C)c(=NC(=O)Cc3cccc4ccccc34)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N09 compound treatment 0.239 -0.00632 -0.31 0.243 2.0E-4 0.01 -0.213 -0.6819 1632673 IFLab1_003815 CC(=O)Nc1ccc(cc1)c2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N10 compound treatment 0.24 -0.00532 -0.26 0.247 0.0042 0.23 -0.023 -0.0659 2067701 IFLab1_003816 Cc1ccc(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N11 compound treatment 0.244 -0.00132 -0.07 0.247 0.0042 0.23 0.1167 0.4873 1475279 IFLab1_003817 CCc1ccc(cc1)C(=O)CSc2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N12 compound treatment 0.245 -3.23E-4 -0.02 0.244 0.0012 0.07 0.0353 0.5209 1242387 IFLab1_003818 Cc1cccc(c1)C(=O)N2CCCN(CC2)C(=O)c3cccc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N13 compound treatment 0.246 6.77E-4 0.03 0.254 0.0112 0.61 0.4579 0.7445 2067702 IFLab1_003819 Cc1sc2ncnc(Sc3nnnn3c4ccccc4)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N14 compound treatment 0.252 0.00668 0.33 0.255 0.0122 0.67 0.7062 0.9469 1370244 IFLab1_003820 COc1cccc(OCC(O)CN2CCc3ccccc3C2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N15 compound treatment 0.594 0.349 17.22 0.617 0.374 20.52 26.683 0.9962 2067703 IFLab1_003821 OC(=O)COc1ccccc1/C=C\2/SC(=S)N(C2=O)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N16 compound treatment 0.252 0.00668 0.33 0.262 0.0192 1.05 0.9776 0.8861 1541183 IFLab1_003822 CC1CN(CC(O)COc2ccc(cc2)C3CCCCC3)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N17 compound treatment 0.257 0.0117 0.58 0.257 0.0142 0.78 0.9583 0.9891 1214816 IFLab1_003823 NC(=O)CCS(=O)(=O)CCN1CCCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N18 compound treatment 0.293 0.0477 2.35 0.318 0.0752 4.12 4.5803 0.9647 1663477 IFLab1_003824 Oc1ccccc1C(Nc2nccs2)c3ccc4cccnc4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N19 compound treatment 0.249 0.00368 0.18 0.247 0.0042 0.23 0.2912 0.9931 2067704 IFLab1_003825 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N20 compound treatment 0.254 0.00868 0.43 0.25 0.0072 0.39 0.5821 0.9992 2067705 IFLab1_003826 Clc1ccc(SCc2cn3cccnc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N21 compound treatment 0.245 -3.23E-4 -0.02 0.255 0.0122 0.67 0.4617 0.6901 1043174 IFLab1_003827 O=C1C2C3CC(C=C3)C2C(=O)N1c4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N22 compound treatment 0.246 6.77E-4 0.03 0.245 0.0022 0.12 0.1089 0.8704 2067706 IFLab1_003828 CC1CCN(CC1)S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N23 mock treatment 0.251 0.00568 0.28 0.248 0.0052 0.29 0.3999 1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 N24 mock treatment 0.254 0.00868 0.43 0.247 0.0042 0.23 0.4658 0.9576 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O01 compound treatment 0.221 -0.0243 -1.2 0.228 -0.0148 -0.81 -1.4231 -0.9818 1377919 IFLab1_003829 COc1ccc(Cl)cc1S(=O)(=O)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O02 compound treatment 0.252 0.00668 0.33 0.247 0.0042 0.23 0.396 0.9846 2899 IFLab1_003830 COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O03 compound treatment 0.244 -0.00132 -0.07 0.238 -0.0048 -0.26 -0.2323 -0.8566 1434813 IFLab1_003831 CC1CN(CCN1S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O04 compound treatment 0.248 0.00268 0.13 0.244 0.0012 0.07 0.14 0.9481 1487527 IFLab1_003832 Cc1ccc(Nc2nnc(s2)c3cc4cc(Cl)ccc4oc3=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O05 compound treatment 0.25 0.00468 0.23 0.256 0.0132 0.72 0.6751 0.8886 1266519 IFLab1_003833 CC(=O)Nc1ccncc1NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O06 compound treatment 0.248 0.00268 0.13 0.25 0.0072 0.39 0.3726 0.8951 1565108 IFLab1_003834 COc1ccccc1C2SCCN2S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O07 compound treatment 0.238 -0.00732 -0.36 0.243 2.0E-4 0.01 -0.2479 -0.6853 1321850 IFLab1_003835 CCc1cccc(CC)c1N(COC)C(=O)Cn2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O08 compound treatment 0.255 0.00968 0.48 0.254 0.0112 0.61 0.7721 0.9923 2067707 IFLab1_003836 Cc1nc(cs1)c2cccc(NC(=O)/C=C\C(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O09 compound treatment 0.243 -0.00232 -0.11 0.249 0.0062 0.34 0.1593 0.444 1033879 IFLab1_003837 C(Oc1ccccc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O10 compound treatment 0.241 -0.00432 -0.21 0.249 0.0062 0.34 0.0894 0.2228 1381079 IFLab1_003838 CCC(=O)Nc1sc2CCCCCc2c1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O11 compound treatment 0.24 -0.00532 -0.26 0.244 0.0012 0.07 -0.1393 -0.5142 1281502 IFLab1_003839 CC(C)C(=O)Nc1ccc(cc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O12 compound treatment 0.246 6.77E-4 0.03 0.249 0.0062 0.34 0.264 0.773 2067708 IFLab1_003840 C1CN=C(C1)NC2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O13 compound treatment 0.239 -0.00632 -0.31 0.259 0.0162 0.89 0.4073 0.4326 1232395 IFLab1_003841 C=CCn1nnnc1SCC(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O14 compound treatment 0.267 0.0217 1.07 0.267 0.0242 1.33 1.6952 0.9943 1684284 IFLab1_003842 OC(=O)CN1C(=O)c2cccc3cccc1c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O15 compound treatment 0.289 0.0437 2.16 0.297 0.0542 2.97 3.6265 0.9876 2067709 IFLab1_003843 CN(C1=CC(=O)c2ccccc2C1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O16 compound treatment 0.248 0.00268 0.13 0.257 0.0142 0.78 0.644 0.8155 1232143 IFLab1_003844 Cc1ccc(C)c(c1)S(=O)(=O)Nc2ccc(O)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O17 compound treatment 0.246 6.77E-4 0.03 0.259 0.0162 0.89 0.6517 0.7332 1556147 IFLab1_003845 CCc1ccc(cc1)c2csc(N)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O18 compound treatment 0.256 0.0107 0.53 0.254 0.0112 0.61 0.8071 0.9971 2067710 IFLab1_003846 CCOc1ccc(cc1)S(=O)(=O)NC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O19 compound treatment 0.242 -0.00332 -0.16 0.246 0.0032 0.18 0.008 0.0335 1143616 IFLab1_003847 CN(C1CCS(=O)(=O)C1)C(=O)COc2cccc(Br)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O20 compound treatment 0.261 0.0157 0.77 0.274 0.0312 1.71 1.7571 0.9357 1687160 IFLab1_003848 NS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O21 compound treatment 0.239 -0.00632 -0.31 0.236 -0.0068 -0.37 -0.4844 -0.9961 1208892 IFLab1_003849 CCC(Sc1ccc(Cl)cc1)C(=O)Nc2nnc(s2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O22 compound treatment 0.242 -0.00332 -0.16 0.249 0.0062 0.34 0.1244 0.3295 2067711 IFLab1_003850 COC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O23 mock treatment 0.248 0.00268 0.13 0.246 0.0032 0.18 0.2176 0.9903 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 O24 mock treatment 0.222 -0.0233 -1.15 0.23 -0.0128 -0.7 -1.3106 -0.9718 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P01 compound treatment 0.212 -0.0333 -1.65 0.222 -0.0208 -1.14 -1.97 -0.984 1460909 IFLab1_003851 OCCN1CCN(CC1)C(c2ccccc2)c3ccc4cccnc4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P02 compound treatment 0.231 -0.0143 -0.71 0.233 -0.0098 -0.54 -0.8801 -0.9908 2067712 IFLab1_003852 Cc1ccc(NC(=O)CSC2=NCCN2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P03 compound treatment 0.24 -0.00532 -0.26 0.251 0.0082 0.45 0.1321 0.2536 1584511 IFLab1_003853 Cc1ccc(o1)c2csc(NC(=O)c3nc4ccccc4s3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P04 compound treatment 0.248 0.00268 0.13 0.243 2.0E-4 0.01 0.1012 0.7631 2067713 IFLab1_003854 Cc1n[nH]c(O)c1C2=NCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P05 compound treatment 0.247 0.00168 0.08 0.252 0.0092 0.5 0.4153 0.8123 2067714 IFLab1_003855 O=C(Nc1ccc2sccc2c1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P06 compound treatment 0.247 0.00168 0.08 0.251 0.0082 0.45 0.3765 0.8235 2067715 IFLab1_003856 O=C/1N=C(Nc2cccnc2)S\C1=C\c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P07 compound treatment 0.246 6.77E-4 0.03 0.248 0.0052 0.29 0.2253 0.7847 1685961 IFLab1_003857 CCC(=O)Nc1nc2ccc3nc(SC)sc3c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P08 compound treatment 0.313 0.0677 3.34 0.319 0.0762 4.18 5.3175 0.9939 1504525 IFLab1_003858 NC(=O)c1oc2ccccc2c1NC(=O)C(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P09 compound treatment 0.245 -3.23E-4 -0.02 0.251 0.0082 0.45 0.3067 0.6816 2067716 IFLab1_003859 CCCc1nnc(SCC(=O)O)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P10 compound treatment 0.247 0.00168 0.08 0.244 0.0012 0.07 0.1051 0.9935 2067717 IFLab1_003860 NC(=O)c1ccc(N/C=C(\C#N)/c2nc(cs2)c3cccc(Br)c3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P11 compound treatment 0.247 0.00168 0.08 0.253 0.0102 0.56 0.454 0.8031 1312456 IFLab1_003861 COC(=O)c1ccc(NCC(=O)c2ccc(OC)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P12 compound treatment 0.273 0.0277 1.37 0.262 0.0192 1.05 1.7108 0.9917 1298903 IFLab1_003862 Cc1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P13 compound treatment 0.251 0.00568 0.28 0.249 0.0062 0.34 0.4386 0.9954 1591687 IFLab1_003863 CC1CCc2c(C(=O)O)c(NC(=O)c3cccs3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P14 compound treatment 0.252 0.00668 0.33 0.235 -0.0078 -0.43 -0.0692 -0.1282 1199813 IFLab1_003864 COc1cccc(OCC(O)CNC(C)c2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P15 compound treatment 0.423 0.178 8.77 0.406 0.163 8.95 12.5315 1.0 2067718 IFLab1_003865 OC(=O)COc1ccccc1/C=C\2/SC(=S)N(Cc3ccco3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P16 compound treatment 0.245 -3.23E-4 -0.02 0.251 0.0082 0.45 0.3067 0.6816 1241600 IFLab1_003866 OC(COc1ccc(cc1)C2CCCCC2)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P17 compound treatment 0.261 0.0157 0.77 0.268 0.0252 1.38 1.5244 0.9625 2067719 IFLab1_003867 Cc1ccc(cc1)N(Sc2ccc(Cl)cc2)C3CS(=O)(=O)C=C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P18 compound treatment 0.278 0.0327 1.61 0.293 0.0502 2.75 3.0873 0.9676 1368925 IFLab1_003868 Oc1c(ccc2cccnc12)C(Nc3nccs3)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P19 compound treatment 0.217 -0.0283 -1.4 0.23 -0.0128 -0.7 -1.4852 -0.9491 1589801 IFLab1_003869 CCOc1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P20 compound treatment 0.224 -0.0213 -1.05 0.233 -0.0098 -0.54 -1.1245 -0.9513 1522937 IFLab1_003870 O=C1CC(Sc2nc3ccccc3n12)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P21 compound treatment 0.228 -0.0173 -0.86 0.239 -0.0038 -0.21 -0.7522 -0.8544 2067720 IFLab1_003871 CC(=C)C(=O)Oc1cccc(c1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P22 compound treatment 0.237 -0.00832 -0.41 0.239 -0.0038 -0.21 -0.4379 -0.9504 1429354 IFLab1_003872 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P23 mock treatment 0.224 -0.0213 -1.05 0.223 -0.0198 -1.09 -1.5122 -0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1422 P24 mock treatment 0.214 -0.0313 -1.55 0.2 -0.0428 -2.35 -2.7531 -0.9795 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A01 compound treatment 0.188 -0.0547 -2.7 0.187 -0.0498 -2.73 -3.8423 -1.0 2067721 IFLab1_003873 O=S(=O)(/C=C/c1ccccc1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A02 compound treatment 0.206 -0.0367 -1.81 0.188 -0.0488 -2.68 -3.175 -0.9819 1694079 IFLab1_003874 OC(CC(=O)O)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A03 compound treatment 0.21 -0.0327 -1.61 0.232 -0.00484 -0.27 -1.3294 -0.8124 2067722 IFLab1_003875 CCOC(=O)c1oc2ccccc2c1NC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A04 compound treatment 0.242 -7.0E-4 -0.03 0.224 -0.0128 -0.7 -0.5222 -0.7409 2067723 IFLab1_003876 CC(C)c1nc2ccccc2n1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A05 compound treatment 0.272 0.0293 1.45 0.274 0.0372 2.04 2.4639 0.9859 2067724 IFLab1_003877 Cc1ccc2cc(/N=C/c3ccc(O)cc3)ccc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A06 compound treatment 0.228 -0.0147 -0.73 0.229 -0.00784 -0.43 -0.8172 -0.9687 1310560 IFLab1_003878 COc1ccc(cc1OC)c2nc3ccccc3n2C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A07 compound treatment 0.239 -0.0037 -0.18 0.234 -0.00284 -0.16 -0.2393 -0.9968 1559622 IFLab1_003879 CC1(C)C2(C)CCC1(CC2=O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A08 compound treatment 0.265 0.0223 1.1 0.266 0.0292 1.6 1.9093 0.9834 1249669 IFLab1_003880 CCN(CC)Cc1cc(C(C)C)c(O)c(c1)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A09 compound treatment 0.241 -0.0017 -0.08 0.246 0.00916 0.5 0.2958 0.5809 1210566 IFLab1_003881 CC1(C)C2CCC1(C)C(C2)NC(=O)CCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A10 compound treatment 0.261 0.0183 0.9 0.257 0.0202 1.11 1.4207 0.995 2067725 IFLab1_003882 CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A11 compound treatment 0.285 0.0423 2.09 0.279 0.0422 2.31 3.1116 0.9987 2067726 IFLab1_003883 NC(=O)/C(=N\O)/c1nc(cs1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A12 compound treatment 0.253 0.0103 0.51 0.251 0.0142 0.78 0.9087 0.979 2067727 IFLab1_003884 COc1ccc(cc1)n2ccsc2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A13 compound treatment 0.249 0.0063 0.31 0.243 0.00616 0.34 0.4589 0.9992 2067728 IFLab1_003885 COc1ccc2nc(sc2c1)/C(=N/O)/C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A14 compound treatment 0.238 -0.0047 -0.23 0.242 0.00516 0.28 0.036 0.0983 1451497 IFLab1_003886 CC(=O)Nc1ccc(cc1)n2c(C)csc2=NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A15 compound treatment 0.25 0.0073 0.36 0.248 0.0112 0.61 0.6876 0.9681 2067729 IFLab1_003887 COc1ccc2cc(Br)ccc2c1CCl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A16 compound treatment 0.237 -0.0057 -0.28 0.242 0.00516 0.28 0.0011 0.0027 2067730 IFLab1_003888 Cc1sc(N2C(=O)C3C4CC(C=C4)C3C2=O)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A17 compound treatment 0.257 0.0143 0.71 0.261 0.0242 1.32 1.4361 0.9566 1009444 IFLab1_003889 CCn1c2ccccc2c3cc(N)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A18 compound treatment 0.241 -0.0017 -0.08 0.243 0.00616 0.34 0.1795 0.5157 2067731 IFLab1_003890 CC1(C)COC(=O)C1OC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A19 compound treatment 0.235 -0.0077 -0.38 0.225 -0.0118 -0.65 -0.7279 -0.9675 1774948 IFLab1_003891 NC(=O)c1cc(Cl)c([nH]c1=O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A20 compound treatment 0.225 -0.0177 -0.87 0.227 -0.00984 -0.54 -0.9995 -0.9731 2067732 IFLab1_003892 Cc1ccc(cc1)C(=O)CC(c2ccco2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A21 compound treatment 0.232 -0.0107 -0.53 0.235 -0.00184 -0.1 -0.4449 -0.8271 2067733 IFLab1_003893 C(c1ccccc1)n2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A22 compound treatment 0.222 -0.0207 -1.02 0.231 -0.00584 -0.32 -0.9492 -0.8861 2067734 IFLab1_003894 O=c1[nH]c(nc2ccccc12)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A23 mock treatment 0.241 -0.0017 -0.08 0.215 -0.0218 -1.2 -0.9061 -0.7548 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 A24 mock treatment 0.206 -0.0367 -1.81 0.174 -0.0628 -3.45 -3.7178 -0.955 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B01 compound treatment 0.202 -0.0407 -2.01 0.208 -0.0288 -1.58 -2.5392 -0.993 2067735 IFLab1_003895 COc1ccccc1Oc2ncnc3scc(c4ccc(F)cc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B02 compound treatment 0.248 0.0053 0.26 0.249 0.0122 0.67 0.6566 0.9166 1464339 IFLab1_003896 Cc1sc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B03 compound treatment 0.259 0.0163 0.8 0.25 0.0132 0.72 1.0794 0.9985 1493334 IFLab1_003897 CC1CN(CCC(=O)Nc2sc3CCCc3c2C#N)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B04 compound treatment 0.253 0.0103 0.51 0.252 0.0152 0.83 0.9475 0.9722 1584044 IFLab1_003898 Cc1ccc(o1)c2csc(NC(=O)c3coc4ccccc4c3=O)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B05 compound treatment 0.261 0.0183 0.9 0.259 0.0222 1.22 1.4982 0.9894 1391072 IFLab1_003899 COC(=O)c1ccc(OCc2c(C)noc2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B06 compound treatment 0.249 0.0063 0.31 0.251 0.0142 0.78 0.769 0.9194 2067736 IFLab1_003900 O=C(OCc1nc2ccccc2s1)c3coc4ccccc4c3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B07 compound treatment 0.267 0.0243 1.2 0.259 0.0222 1.22 1.7077 1.0 1327211 IFLab1_003901 Fc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B08 compound treatment 0.259 0.0163 0.8 0.255 0.0182 1.0 1.2733 0.9944 1687858 IFLab1_003902 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B09 compound treatment 0.266 0.0233 1.15 0.259 0.0222 1.22 1.6728 0.9996 1645978 IFLab1_003903 CCC(=O)Nc1nc(cs1)c2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B10 compound treatment 0.251 0.0083 0.41 0.253 0.0162 0.89 0.9164 0.9386 1246329 IFLab1_003904 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B11 compound treatment 0.263 0.0203 1.0 0.254 0.0172 0.94 1.3742 0.9995 2067737 IFLab1_003905 FC(F)(F)c1ccc(nc1)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B12 compound treatment 0.249 0.0063 0.31 0.244 0.00716 0.39 0.4976 0.9934 1702041 IFLab1_003906 CC(=C)CSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B13 compound treatment 0.298 0.0553 2.73 0.287 0.0502 2.75 3.8757 1.0 1416302 IFLab1_003907 O=C1CCCc2c1cc(c3ccccc3)n2c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B14 compound treatment 0.27 0.0273 1.35 0.262 0.0252 1.38 1.9288 0.9999 2067738 IFLab1_003908 CC(C)CC1C(=C(N)OC2=C1C(=O)CCC2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B15 compound treatment 0.265 0.0223 1.1 0.259 0.0222 1.22 1.6379 0.9988 1565528 IFLab1_003909 Oc1c(CN2CCCC2)cc(Cl)c3cccnc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B16 compound treatment 0.268 0.0253 1.25 0.274 0.0372 2.04 2.3242 0.9724 2067739 IFLab1_003910 Cc1cc(C)c(C#N)c(SCC(=O)Nc2nccs2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B17 compound treatment 0.268 0.0253 1.25 0.269 0.0322 1.76 2.1303 0.9858 1411855 IFLab1_003911 OC(COc1ccc(F)cc1)CN2CCN(CC2)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B18 compound treatment 0.254 0.0113 0.56 0.254 0.0172 0.94 1.0599 0.9689 2067740 IFLab1_003912 CCOC(=O)Cc1nc(cs1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B19 compound treatment 0.257 0.0143 0.71 0.256 0.0192 1.05 1.2422 0.9813 1234418 IFLab1_003913 CC(C)(C)c1ccccc1OCC(O)CN2CCN(CC2)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B20 compound treatment 0.251 0.0083 0.41 0.251 0.0142 0.78 0.8389 0.9554 1017621 IFLab1_003914 N#CC(CCN1CCOCC1)(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B21 compound treatment 0.26 0.0173 0.85 0.256 0.0192 1.05 1.347 0.9947 1985493 IFLab1_003915 CCOC(=O)CSc1nc(N)c2c3CCCCc3sc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B22 compound treatment 0.25 0.0073 0.36 0.249 0.0122 0.67 0.7264 0.9583 1638899 IFLab1_003916 N#CC(N1CCOCC1)c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B23 mock treatment 0.246 0.0033 0.16 0.246 0.00916 0.5 0.4704 0.8908 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 B24 mock treatment 0.227 -0.0157 -0.78 0.216 -0.0208 -1.14 -1.3561 -0.9822 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C01 compound treatment 0.202 -0.0407 -2.01 0.215 -0.0218 -1.2 -2.2679 -0.9694 2067741 IFLab1_003917 O=S(=O)(/C=C/c1ccccc1)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C02 compound treatment 0.235 -0.0077 -0.38 0.235 -0.00184 -0.1 -0.3402 -0.8647 1197757 IFLab1_003918 OC(C(O)c1nc2ccccc2[nH]1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C03 compound treatment 0.25 0.0073 0.36 0.261 0.0242 1.32 1.1916 0.868 1475911 IFLab1_003919 O=C(Nc1ccccc1c2nc3ccccc3o2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C04 compound treatment 0.242 -7.0E-4 -0.03 0.239 0.00216 0.12 0.0594 0.4808 2067742 IFLab1_003920 CCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C05 compound treatment 0.239 -0.0037 -0.18 0.239 0.00216 0.12 -0.0454 -0.2085 2067743 IFLab1_003921 CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C06 compound treatment 0.246 0.0033 0.16 0.245 0.00816 0.45 0.4316 0.9064 1064752 IFLab1_003922 Brc1cccc(c1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C07 compound treatment 0.24 -0.0027 -0.13 0.237 1.61E-4 0.01 -0.088 -0.6588 2067744 IFLab1_003923 CN(C)C(=O)C1(CCC2(C)C(=O)C1)C2(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C08 compound treatment 0.248 0.0053 0.26 0.246 0.00916 0.5 0.5403 0.9538 1126912 IFLab1_003924 Cc1ccccc1NC(=O)Cn2nnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C09 compound treatment 0.241 -0.0017 -0.08 0.238 0.00116 0.06 -0.0143 -0.1361 1549344 IFLab1_003925 CC12COC3(CN)CC2CCC13C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C10 compound treatment 0.244 0.0013 0.06 0.243 0.00616 0.34 0.2843 0.8267 1736585 IFLab1_003926 NC(=O)CCSc1nnc(SCC(=O)c2ccccc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C11 compound treatment 0.248 0.0053 0.26 0.25 0.0132 0.72 0.6953 0.9058 2067745 IFLab1_003927 O/N=C(\C#N)/c1nc(cs1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C12 compound treatment 0.249 0.0063 0.31 0.243 0.00616 0.34 0.4589 0.9992 1533408 IFLab1_003928 CCOC(=O)c1sc(=S)n(c1C)c2ccc(OC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C13 compound treatment 0.249 0.0063 0.31 0.243 0.00616 0.34 0.4589 0.9992 2067746 IFLab1_003929 CNc1ccc2ccccc2c1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C14 compound treatment 0.239 -0.0037 -0.18 0.243 0.00616 0.34 0.1097 0.2856 1580665 IFLab1_003930 COc1ccccc1N=c2[nH]c(C)cs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C15 compound treatment 0.273 0.0303 1.5 0.272 0.0352 1.93 2.4212 0.9921 1219130 IFLab1_003931 CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C16 compound treatment 0.247 0.0043 0.21 0.252 0.0152 0.83 0.738 0.8601 2067747 IFLab1_003932 COc1cccc(/N=C/2\NC(=O)\C(=C/3\C(=O)Nc4ccccc34)\S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C17 compound treatment 0.244 0.0013 0.06 0.249 0.0122 0.67 0.5169 0.7716 2067748 IFLab1_003933 CC(C)NC(=O)c1cc(Br)c(C)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C18 compound treatment 0.248 0.0053 0.26 0.252 0.0152 0.83 0.7729 0.8868 2067749 IFLab1_003934 Oc1ccccc1/C=N/c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C19 compound treatment 0.239 -0.0037 -0.18 0.241 0.00416 0.23 0.0321 0.11 1599486 IFLab1_003935 Cc1ccc(cc1NC(=O)c2cccc(Cl)c2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C20 compound treatment 0.25 0.0073 0.36 0.254 0.0172 0.94 0.9203 0.9133 2067750 IFLab1_003936 O=C(N/C(=C\c1ccc(o1)c2ccccc2)/C(=O)N3CCOCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C21 compound treatment 0.243 3.0E-4 0.01 0.242 0.00516 0.28 0.2106 0.7431 2067751 IFLab1_003937 CC(c1ccccc1)n2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C22 compound treatment 0.239 -0.0037 -0.18 0.24 0.00316 0.17 -0.0066 -0.0263 1700925 IFLab1_003938 O=C(CSc1nnnn1c2ccccc2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C23 mock treatment 0.234 -0.0087 -0.43 0.237 1.61E-4 0.01 -0.2975 -0.6924 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 C24 mock treatment 0.227 -0.0157 -0.78 0.208 -0.0288 -1.58 -1.6663 -0.9462 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D01 compound treatment 0.228 -0.0147 -0.73 0.222 -0.0148 -0.81 -1.0886 -0.9984 2067752 IFLab1_003939 Cc1sc2ncnc(SC3CCCCN(C(=O)c4ccccc4)C3=O)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D02 compound treatment 0.246 0.0033 0.16 0.245 0.00816 0.45 0.4316 0.9064 2067753 IFLab1_003940 CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D03 compound treatment 0.246 0.0033 0.16 0.25 0.0132 0.72 0.6255 0.8455 1652678 IFLab1_003941 Cc1sc2ncnc(n3nnc4ccccc34)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D04 compound treatment 0.245 0.0023 0.11 0.253 0.0162 0.89 0.7069 0.7913 1306053 IFLab1_003942 CSc1nc2ccc(NC(=O)c3coc4ccccc4c3=O)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D05 compound treatment 0.251 0.0083 0.41 0.249 0.0122 0.67 0.7613 0.9727 2067754 IFLab1_003943 CCN1CCN(CC1)S(=O)(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D06 compound treatment 0.248 0.0053 0.26 0.245 0.00816 0.45 0.5015 0.9674 2067755 IFLab1_003944 O=C(OCc1nc2ccccc2s1)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D07 compound treatment 0.263 0.0203 1.0 0.262 0.0252 1.38 1.6843 0.9877 1271140 IFLab1_003945 Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D08 compound treatment 0.257 0.0143 0.71 0.256 0.0192 1.05 1.2422 0.9813 1192376 IFLab1_003946 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCC(C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D09 compound treatment 0.261 0.0183 0.9 0.26 0.0232 1.27 1.537 0.9861 1722692 IFLab1_003947 O=C(Nc1nc(cs1)c2ccc3OCOc3c2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D10 compound treatment 0.254 0.0113 0.56 0.25 0.0132 0.72 0.9048 0.9919 2067756 IFLab1_003948 FC(F)(F)c1ccccc1NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D11 compound treatment 0.254 0.0113 0.56 0.25 0.0132 0.72 0.9048 0.9919 2067757 IFLab1_003949 FC(F)(F)c1ccc(nc1)N2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D12 compound treatment 0.301 0.0583 2.88 0.289 0.0522 2.86 4.058 1.0 2067758 IFLab1_003950 Cc1ccccc1NC(=O)CSc2[nH]c(=O)cc(C)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D13 compound treatment 0.264 0.0213 1.05 0.26 0.0232 1.27 1.6417 0.9956 1190709 IFLab1_003951 CCN(CC)Cc1oc(CO)cc(=O)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D14 compound treatment 0.248 0.0053 0.26 0.251 0.0142 0.78 0.7341 0.8959 1130052 IFLab1_003952 NC1=C(C#N)C(Cc2ccccc2)C3=C(CCCC3=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D15 compound treatment 0.264 0.0213 1.05 0.264 0.0272 1.49 1.7968 0.9855 1636340 IFLab1_003953 Oc1c(ccc2cccnc12)C(N3CCOCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D16 compound treatment 0.306 0.0633 3.13 0.325 0.0882 4.83 5.6284 0.9777 2067759 IFLab1_003954 COC(=O)CSC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D17 compound treatment 0.259 0.0163 0.8 0.259 0.0222 1.22 1.4284 0.98 1688285 IFLab1_003955 CCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D18 compound treatment 0.26 0.0173 0.85 0.263 0.0262 1.43 1.6184 0.9693 1205429 IFLab1_003956 OC(=O)c1ccccc1c2ccccc2C(=O)Nc3ccccc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D19 compound treatment 0.248 0.0053 0.26 0.25 0.0132 0.72 0.6953 0.9058 1250232 IFLab1_003957 CCOC(=O)N1CCN(CC(O)COc2cc(C)c(Cl)c(C)c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D20 compound treatment 0.241 -0.0017 -0.08 0.248 0.0112 0.61 0.3734 0.6044 1228488 IFLab1_003958 O=S(=O)(N=C1SCCS1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D21 compound treatment 0.249 0.0063 0.31 0.254 0.0172 0.94 0.8853 0.8933 2067760 IFLab1_003959 Nc1nc(SCC(=O)NCCO)nc2sc3CCCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D22 compound treatment 0.25 0.0073 0.36 0.247 0.0102 0.56 0.6489 0.9778 1500854 IFLab1_003960 N#CC(N1CCCCCC1)c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D23 mock treatment 0.243 3.0E-4 0.01 0.249 0.0122 0.67 0.482 0.7226 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 D24 mock treatment 0.24 -0.0027 -0.13 0.228 -0.00884 -0.48 -0.437 -0.8693 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E01 compound treatment 0.227 -0.0157 -0.78 0.231 -0.00584 -0.32 -0.7746 -0.9235 1506747 IFLab1_003961 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E02 compound treatment 0.25 0.0073 0.36 0.247 0.0102 0.56 0.6489 0.9778 1025087 IFLab1_003962 OC(=O)CCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E03 compound treatment 0.264 0.0213 1.05 0.26 0.0232 1.27 1.6417 0.9956 2067761 IFLab1_003963 CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E04 compound treatment 0.247 0.0043 0.21 0.25 0.0132 0.72 0.6604 0.878 2067762 IFLab1_003964 CC(=C)Cn1c(CCCO)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E05 compound treatment 0.251 0.0083 0.41 0.25 0.0132 0.72 0.8001 0.9641 1710571 IFLab1_003965 CC12COC3(CC2CCC13C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E06 compound treatment 0.257 0.0143 0.71 0.25 0.0132 0.72 1.0096 0.9999 2067763 IFLab1_003966 CCn1c(nc2ccccc12)c3cccc(Br)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E07 compound treatment 0.25 0.0073 0.36 0.247 0.0102 0.56 0.6489 0.9778 2067764 IFLab1_003967 CCN(CC)C(=O)C1(CCC2(C)C(=O)C1)C2(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E08 compound treatment 0.28 0.0373 1.84 0.276 0.0392 2.15 2.8207 0.9971 1178687 IFLab1_003968 Cc1cccc(NC(=O)Cn2nnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E09 compound treatment 0.253 0.0103 0.51 0.25 0.0132 0.72 0.8699 0.9853 1103732 IFLab1_003969 CC1(C)C2CCC(C2)(C(=O)O)C1=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E10 compound treatment 0.256 0.0133 0.66 0.257 0.0202 1.11 1.2461 0.9691 2067765 IFLab1_003970 OC(=O)/C=C\C(=O)Nc1ccccc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E11 compound treatment 0.261 0.0183 0.9 0.263 0.0262 1.43 1.6533 0.9752 1470009 IFLab1_003971 Oc1ccc(O)c(Cc2nc3ccccc3s2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E12 compound treatment 0.26 0.0173 0.85 0.26 0.0232 1.27 1.5021 0.9814 2067766 IFLab1_003972 CC(=O)/N=C/1\NC(=O)C(CC(=O)O)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E13 compound treatment 0.253 0.0103 0.51 0.253 0.0162 0.89 0.9862 0.9653 2067767 IFLab1_003973 Cn1c(nc2ccccc12)/C(=N/O)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E14 compound treatment 0.248 0.0053 0.26 0.25 0.0132 0.72 0.6953 0.9058 2067768 IFLab1_003974 CC(C)C(=O)N=c1scc(c2ccc(C)cc2)n1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E15 compound treatment 0.255 0.0123 0.61 0.252 0.0152 0.83 1.0173 0.9881 1643271 IFLab1_003975 COc1ccc2cc(Br)ccc2c1CC(=O)NC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E16 compound treatment 0.251 0.0083 0.41 0.255 0.0182 1.0 0.9939 0.923 2067769 IFLab1_003976 OCc1csc2nc(=O)c3c4CCCCc4sc3n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E17 compound treatment 0.261 0.0183 0.9 0.264 0.0272 1.49 1.6921 0.9713 2067770 IFLab1_003977 CNC(=O)c1cc(Br)c(C)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E18 compound treatment 0.261 0.0183 0.9 0.257 0.0202 1.11 1.4207 0.995 1057181 IFLab1_003978 C(Cc1ccccn1)N2CCN(CCc3ccccn3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E19 compound treatment 0.251 0.0083 0.41 0.256 0.0192 1.05 1.0327 0.9157 1409934 IFLab1_003979 Cc1ccc2cccc(OC(=O)N3CCOCC3)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E20 compound treatment 0.246 0.0033 0.16 0.255 0.0182 1.0 0.8194 0.812 2067771 IFLab1_003980 Cc1ccc(cc1)C(=O)CC(c2ccccc2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E21 compound treatment 0.258 0.0153 0.76 0.26 0.0232 1.27 1.4322 0.9692 2067772 IFLab1_003981 Cc1nc2ccccc2n1C(=O)/C=C\C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E22 compound treatment 0.248 0.0053 0.26 0.247 0.0102 0.56 0.579 0.9407 1518257 IFLab1_003982 CCN1CCN(CC1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E23 mock treatment 0.244 0.0013 0.06 0.246 0.00916 0.5 0.4006 0.791 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 E24 mock treatment 0.24 -0.0027 -0.13 0.233 -0.00384 -0.21 -0.2431 -0.9757 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F01 compound treatment 0.248 0.0053 0.26 0.248 0.0112 0.61 0.6178 0.9282 1681080 IFLab1_003983 COc1ccc(CCNc2ncnc3sc(C)c(C)c23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F02 compound treatment 0.255 0.0123 0.61 0.249 0.0122 0.67 0.901 0.9989 1118702 IFLab1_003984 O=C(c1ccccc1)c2ccccc2NS(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F03 compound treatment 0.253 0.0103 0.51 0.254 0.0172 0.94 1.025 0.9583 1181804 IFLab1_003985 COC(=O)c1ccc(Oc2ncnc3sc4CCCCc4c23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F04 compound treatment 0.256 0.0133 0.66 0.263 0.0262 1.43 1.4787 0.9373 1164174 IFLab1_003986 Cc1nc2cc(NC(=O)c3ccc4OCCOc4c3)ccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F05 compound treatment 0.256 0.0133 0.66 0.248 0.0112 0.61 0.8971 0.9994 1603298 IFLab1_003987 C1CCCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F06 compound treatment 0.296 0.0533 2.63 0.294 0.0572 3.13 4.0773 0.9962 1691025 IFLab1_003988 CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F07 compound treatment 0.261 0.0183 0.9 0.258 0.0212 1.16 1.4594 0.9924 1347874 IFLab1_003989 O=C(N1CCN(CC1)c2ccccc2)c3cc(=O)c4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F08 compound treatment 0.266 0.0233 1.15 0.26 0.0232 1.27 1.7116 0.9988 1596702 IFLab1_003990 Fc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F09 compound treatment 0.247 0.0043 0.21 0.253 0.0162 0.89 0.7767 0.8524 2067773 IFLab1_003991 CC(C)(CSc1ccccn1)NS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F10 compound treatment 0.271 0.0283 1.4 0.264 0.0272 1.49 2.0412 0.9995 2067774 IFLab1_003992 COC(=O)c1ccc(/C=C\2/SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F11 compound treatment 0.251 0.0083 0.41 0.254 0.0172 0.94 0.9552 0.9307 2067775 IFLab1_003993 CCOC(=O)N1CCN(CC1)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F12 compound treatment 0.307 0.0643 3.18 0.291 0.0542 2.97 4.3451 0.9994 2067776 IFLab1_003994 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC#N)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F13 compound treatment 0.263 0.0203 1.0 0.253 0.0162 0.89 1.3354 0.9981 1447178 IFLab1_003995 CCOC(=O)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F14 compound treatment 0.249 0.0063 0.31 0.25 0.0132 0.72 0.7303 0.9293 2067777 IFLab1_003996 CCCC(C)C1C(=C(N)OC2=C1C(=O)CC(C)(C)C2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F15 compound treatment 0.278 0.0353 1.74 0.284 0.0472 2.59 3.0611 0.9816 1371058 IFLab1_003997 CCN(CC)Cc1cc(Cl)c2cccnc2c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F16 compound treatment 0.291 0.0483 2.39 0.287 0.0502 2.75 3.6313 0.9975 2067778 IFLab1_003998 CSC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F17 compound treatment 0.261 0.0183 0.9 0.266 0.0292 1.6 1.7696 0.9635 1443895 IFLab1_003999 CCOC(=O)N1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F18 compound treatment 0.26 0.0173 0.85 0.267 0.0302 1.65 1.7734 0.9528 1367941 IFLab1_004000 CC(NC(=O)c1ccccc1c2ccccc2C(=O)O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F19 compound treatment 0.259 0.0163 0.8 0.251 0.0142 0.78 1.1182 0.9998 1574885 IFLab1_004001 CCOC(=O)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F20 compound treatment 0.259 0.0163 0.8 0.272 0.0352 1.93 1.9324 0.925 1576686 IFLab1_004002 CCOC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F21 compound treatment 0.263 0.0203 1.0 0.266 0.0292 1.6 1.8394 0.9747 1358709 IFLab1_004003 Nc1nc(SCc2ccc(cc2)C(=O)NCCO)nc3sc4CCCCc4c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F22 compound treatment 0.257 0.0143 0.71 0.254 0.0172 0.94 1.1647 0.99 1290396 IFLab1_004004 Clc1cccc(c1)C(=O)Oc2ccc3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F23 mock treatment 0.252 0.0093 0.46 0.249 0.0122 0.67 0.7962 0.9834 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 F24 mock treatment 0.246 0.0033 0.16 0.24 0.00316 0.17 0.2378 0.9995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G01 compound treatment 0.239 -0.0037 -0.18 0.243 0.00616 0.34 0.1097 0.2856 2067779 IFLab1_004005 O=C(CSc1nc2ccccc2s1)NCCCN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G02 compound treatment 0.248 0.0053 0.26 0.246 0.00916 0.5 0.5403 0.9538 1042426 IFLab1_004006 OC(C(O)c1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G03 compound treatment 0.245 0.0023 0.11 0.252 0.0152 0.83 0.6681 0.7963 1232473 IFLab1_004007 O=C(Nc1ccccc1c2nc3ccccc3o2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G04 compound treatment 0.251 0.0083 0.41 0.249 0.0122 0.67 0.7613 0.9727 1605646 IFLab1_004008 CC(c1ccccc1)n2c(CCCO)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G05 compound treatment 0.241 -0.0017 -0.08 0.252 0.0152 0.83 0.5285 0.6325 1140709 IFLab1_004009 CC1(C)C2(C)CCC1(OC2=O)C(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G06 compound treatment 0.246 0.0033 0.16 0.248 0.0112 0.61 0.548 0.8652 2067780 IFLab1_004010 C=CCn1c(COc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G07 compound treatment 0.253 0.0103 0.51 0.254 0.0172 0.94 1.025 0.9583 1314249 IFLab1_004011 CC1(C)C2(C)CCC1(CC2=O)C(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G08 compound treatment 0.268 0.0253 1.25 0.258 0.0212 1.16 1.7039 0.9993 1499128 IFLab1_004012 Cc1ccc(NC(=O)Cn2nnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G09 compound treatment 0.251 0.0083 0.41 0.252 0.0152 0.83 0.8776 0.9469 2067781 IFLab1_004013 CC1(C)C2CCC(C2)(C(=O)N)C1=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G10 compound treatment 0.248 0.0053 0.26 0.255 0.0182 1.0 0.8892 0.8636 2067782 IFLab1_004014 COC(=O)/C=C\C(=O)Nc1ccc(NC(=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G11 compound treatment 0.252 0.0093 0.46 0.256 0.0192 1.05 1.0676 0.9311 1218937 IFLab1_004015 Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G12 compound treatment 0.266 0.0233 1.15 0.264 0.0272 1.49 1.8666 0.9919 1874778 IFLab1_004016 OC(=O)CCC(=O)N=c1[nH]c(cs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G13 compound treatment 0.255 0.0123 0.61 0.254 0.0172 0.94 1.0948 0.9776 1532898 IFLab1_004017 COC(Cc1nc2ccccc2s1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G14 compound treatment 0.252 0.0093 0.46 0.257 0.0202 1.11 1.1064 0.9243 2067783 IFLab1_004018 COC(=O)c1sc(=Nc2ccccc2)n(c1C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G15 compound treatment 0.25 0.0073 0.36 0.254 0.0172 0.94 0.9203 0.9133 2067784 IFLab1_004019 O[C@@H]1CCCC[C@@H]1c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G16 compound treatment 0.253 0.0103 0.51 0.252 0.0152 0.83 0.9475 0.9722 1661218 IFLab1_004020 OCCNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G17 compound treatment 0.27 0.0273 1.35 0.268 0.0312 1.71 2.1614 0.9931 1276443 IFLab1_004021 Cc1ccc2cccc(OCc3ccccc3)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G18 compound treatment 0.261 0.0183 0.9 0.26 0.0232 1.27 1.537 0.9861 1580956 IFLab1_004022 Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G19 compound treatment 0.259 0.0163 0.8 0.246 0.00916 0.5 0.9243 0.9742 1499659 IFLab1_004023 COc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G20 compound treatment 0.241 -0.0017 -0.08 0.25 0.0132 0.72 0.4509 0.6207 2067785 IFLab1_004024 CC(=O)Nc1nc(Br)sc1Cc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G21 compound treatment 0.249 0.0063 0.31 0.251 0.0142 0.78 0.769 0.9194 2067786 IFLab1_004025 Cn1c(Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G22 compound treatment 0.249 0.0063 0.31 0.248 0.0112 0.61 0.6527 0.9508 1271881 IFLab1_004026 COc1ccc2c(C)cc(nc2c1)N3CC(C)OC(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G23 mock treatment 0.248 0.0053 0.26 0.252 0.0152 0.83 0.7729 0.8868 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 G24 mock treatment 0.247 0.0043 0.21 0.234 -0.00284 -0.16 0.0401 0.1523 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H01 compound treatment 0.24 -0.0027 -0.13 0.24 0.00316 0.17 0.0283 0.1294 1218095 IFLab1_004027 C(Nc1nc(nc2ccccc12)c3ccccc3)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H02 compound treatment 0.251 0.0083 0.41 0.246 0.00916 0.5 0.645 0.9949 2067787 IFLab1_004028 O=C(NC1CCS(=O)(=O)C1)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H03 compound treatment 0.258 0.0153 0.76 0.264 0.0272 1.49 1.5873 0.9505 1125766 IFLab1_004029 CCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCCOc4c3)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H04 compound treatment 0.258 0.0153 0.76 0.25 0.0132 0.72 1.0445 0.9997 1502661 IFLab1_004030 Cc1cccc(NC(=O)c2coc3ccccc3c2=O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H05 compound treatment 0.253 0.0103 0.51 0.256 0.0192 1.05 1.1025 0.9446 1624933 IFLab1_004031 CC1CCN(CCC(=O)Nc2sc3CCCCc3c2C#N)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H06 compound treatment 0.259 0.0163 0.8 0.265 0.0282 1.54 1.661 0.9539 1562302 IFLab1_004032 CCOC(=O)c1sc(NC(=O)CCOc2ccccc2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H07 compound treatment 0.256 0.0133 0.66 0.253 0.0162 0.89 1.091 0.9891 1721633 IFLab1_004033 O=C(Nc1nccs1)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H08 compound treatment 0.262 0.0193 0.95 0.257 0.0202 1.11 1.4556 0.9973 2067788 IFLab1_004034 OC(=O)CSc1nnc(c2ccncc2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H09 compound treatment 0.248 0.0053 0.26 0.252 0.0152 0.83 0.7729 0.8868 1728558 IFLab1_004035 Cc1ccc(cc1)S(=O)(=O)NC(C)(C)CSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H10 compound treatment 0.256 0.0133 0.66 0.253 0.0162 0.89 1.091 0.9891 1030654 IFLab1_004036 ONC(=O)COc1ccc(Cl)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H11 compound treatment 0.245 0.0023 0.11 0.251 0.0142 0.78 0.6294 0.802 1158237 IFLab1_004037 CCN1CCN(CC1)S(=O)(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H12 compound treatment 0.289 0.0463 2.29 0.291 0.0542 2.97 3.7166 0.9917 2067789 IFLab1_004038 NC1=C(C#N)C(C2CCCCC2)C3=C(CC(CC3=O)c4ccccc4)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H13 compound treatment 0.263 0.0203 1.0 0.244 0.00716 0.39 0.9865 0.9163 1593651 IFLab1_004039 Clc1ccc(c2ncc3ccccn23)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H14 compound treatment 0.249 0.0063 0.31 0.253 0.0162 0.89 0.8466 0.9014 2067790 IFLab1_004040 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2CCc3ccccc3)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H15 compound treatment 0.253 0.0103 0.51 0.252 0.0152 0.83 0.9475 0.9722 1352508 IFLab1_004041 COc1ccc(OC)c(c1)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H16 compound treatment 0.27 0.0273 1.35 0.301 0.0642 3.52 3.4408 0.9133 1502136 IFLab1_004042 Cc1cc(C)c(C(=O)N)c(SCC(=O)c2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H17 compound treatment 0.259 0.0163 0.8 0.255 0.0182 1.0 1.2733 0.9944 1287574 IFLab1_004043 CCOC(=O)N1CCN(CC(O)COC2C(C)(C)C3CCC2(C)C3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H18 compound treatment 0.272 0.0293 1.45 0.285 0.0482 2.64 2.8903 0.9599 1195797 IFLab1_004044 NC(=O)Cn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H19 compound treatment 0.26 0.0173 0.85 0.253 0.0162 0.89 1.2307 0.9998 1130221 IFLab1_004045 OC(COc1ccccc1CC=C)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H20 compound treatment 0.248 0.0053 0.26 0.248 0.0112 0.61 0.6178 0.9282 2067791 IFLab1_004046 Clc1cccc(c1)C(=O)Sc2nc3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H21 compound treatment 0.256 0.0133 0.66 0.281 0.0442 2.42 2.1766 0.8676 1270665 IFLab1_004047 Nc1nc(SCC(=O)N2CCCCC2)nc3sc4CCCCc4c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H22 compound treatment 0.267 0.0243 1.2 0.278 0.0412 2.26 2.4443 0.9563 1305578 IFLab1_004048 COc1cccc(c1)C(=O)Oc2ccc3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H23 mock treatment 0.244 0.0013 0.06 0.249 0.0122 0.67 0.5169 0.7716 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 H24 mock treatment 0.259 0.0163 0.8 0.244 0.00716 0.39 0.8468 0.9455 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I01 compound treatment 0.223 -0.0197 -0.97 0.22 -0.0168 -0.92 -1.3407 -0.9997 2067792 IFLab1_004049 COC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I02 compound treatment 0.254 0.0113 0.56 0.257 0.0202 1.11 1.1762 0.9499 1111780 IFLab1_004050 COc1ccc(cc1OC)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I03 compound treatment 0.252 0.0093 0.46 0.25 0.0132 0.72 0.835 0.9762 1198571 IFLab1_004051 O=C(Nc1ccccc1c2nc3ccccc3o2)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I04 compound treatment 0.252 0.0093 0.46 0.251 0.0142 0.78 0.8738 0.9686 1466951 IFLab1_004052 CC(c1ccccc1)n2c(CO)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I05 compound treatment 0.252 0.0093 0.46 0.251 0.0142 0.78 0.8738 0.9686 1187141 IFLab1_004053 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I06 compound treatment 0.245 0.0023 0.11 0.259 0.0222 1.22 0.9395 0.7698 1527969 IFLab1_004054 Clc1ccc(nn1)n2ccnc2C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I07 compound treatment 0.252 0.0093 0.46 0.257 0.0202 1.11 1.1064 0.9243 1510527 IFLab1_004055 CC1(C)C2(C)CCC1(CC2=O)C(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I08 compound treatment 0.265 0.0223 1.1 0.263 0.0262 1.43 1.793 0.9915 1718880 IFLab1_004056 COCn1ccnc1P(=O)(O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I09 compound treatment 0.261 0.0183 0.9 0.256 0.0192 1.05 1.3819 0.9972 1578960 IFLab1_004057 CC1(C)C2(C)CCC1(CC2O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I10 compound treatment 0.26 0.0173 0.85 0.26 0.0232 1.27 1.5021 0.9814 1241726 IFLab1_004058 NC(=O)CSc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I11 compound treatment 0.257 0.0143 0.71 0.26 0.0232 1.27 1.3973 0.9616 2067793 IFLab1_004059 CC(O)CCc1sc2ccccc2[n+]1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I12 compound treatment 0.275 0.0323 1.6 0.271 0.0342 1.87 2.4523 0.9968 1210609 IFLab1_004060 CCOC(=O)Cc1csc(Nc2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I13 compound treatment 0.255 0.0123 0.61 0.254 0.0172 0.94 1.0948 0.9776 1149957 IFLab1_004061 CC(=O)SC(CC(=O)O)c1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I14 compound treatment 0.268 0.0253 1.25 0.257 0.0202 1.11 1.6651 0.9981 1983767 IFLab1_004062 COC(=O)c1sc(=Nc2ccccc2)[nH]c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I15 compound treatment 0.253 0.0103 0.51 0.255 0.0182 1.0 1.0638 0.9514 2067794 IFLab1_004063 NC(=O)Cc1nc(cs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I16 compound treatment 0.246 0.0033 0.16 0.255 0.0182 1.0 0.8194 0.812 1011848 IFLab1_004064 CN(C)CCC(O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I17 compound treatment 0.259 0.0163 0.8 0.255 0.0182 1.0 1.2733 0.9944 1922612 IFLab1_004065 Cc1nc(co1)C2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I18 compound treatment 0.26 0.0173 0.85 0.258 0.0212 1.16 1.4245 0.9887 1620515 IFLab1_004066 COc1ccc(Cc2cnc(N)s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I19 compound treatment 0.241 -0.0017 -0.08 0.25 0.0132 0.72 0.4509 0.6207 1665570 IFLab1_004067 COc1cc(OC)c(OC)cc1CN2CCN(Cc3ccc(F)cc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I20 compound treatment 0.255 0.0123 0.61 0.254 0.0172 0.94 1.0948 0.9776 2067795 IFLab1_004068 COc1ccc(cc1)S(=O)(=O)CC(SC#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I21 compound treatment 0.254 0.0113 0.56 0.253 0.0162 0.89 1.0212 0.9751 2067796 IFLab1_004069 CC(C)n1c(nc2ccccc12)C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I22 compound treatment 0.271 0.0283 1.4 0.281 0.0442 2.42 2.7003 0.9659 1153758 IFLab1_004070 C(Nc1ncnc2sc3CCCCc3c12)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I23 mock treatment 0.252 0.0093 0.46 0.252 0.0152 0.83 0.9125 0.9609 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 I24 mock treatment 0.253 0.0103 0.51 0.24 0.00316 0.17 0.4822 0.8974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J01 compound treatment 0.23 -0.0127 -0.63 0.217 -0.0198 -1.09 -1.2126 -0.9658 2067797 IFLab1_004071 COC(=O)c1cccc(c1)N2C(=O)/C(=C\c3cccnc3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J02 compound treatment 0.298 0.0553 2.73 0.292 0.0552 3.02 4.0696 0.9987 2067798 IFLab1_004072 FC(F)(F)c1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)/SC2=S)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J03 compound treatment 0.244 0.0013 0.06 0.241 0.00416 0.23 0.2067 0.8722 2067799 IFLab1_004073 Cc1sc2ncnc(SCc3ccccc3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J04 compound treatment 0.25 0.0073 0.36 0.251 0.0142 0.78 0.8039 0.9391 1280766 IFLab1_004074 O=C(N1CCN(CC1)c2ccccc2)c3coc4ccccc4c3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J05 compound treatment 0.257 0.0143 0.71 0.252 0.0152 0.83 1.0871 0.9967 2067800 IFLab1_004075 O=C(CSc1ncnc2sc3CCCc3c12)NCCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J06 compound treatment 0.264 0.0213 1.05 0.258 0.0212 1.16 1.5642 0.9988 1251832 IFLab1_004076 CCC(=O)Nc1ccccc1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J07 compound treatment 0.272 0.0293 1.45 0.275 0.0382 2.09 2.5026 0.9838 1556547 IFLab1_004077 CC1(C)CC(=O)c2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J08 compound treatment 0.263 0.0203 1.0 0.262 0.0252 1.38 1.6843 0.9877 1340014 IFLab1_004078 O=C(COC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3ccccc3c2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J09 compound treatment 0.245 0.0023 0.11 0.252 0.0152 0.83 0.6681 0.7963 1983663 IFLab1_004079 Cc1ccc(cc1)S(=O)(=O)NCCSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J10 compound treatment 0.243 3.0E-4 0.01 0.246 0.00916 0.5 0.3657 0.7276 2067801 IFLab1_004080 ONC(=O)CCCOc1ccc(Cl)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J11 compound treatment 0.249 0.0063 0.31 0.252 0.0152 0.83 0.8078 0.9101 1662497 IFLab1_004081 Fc1ccc(cc1)S(=O)(=O)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J12 compound treatment 0.281 0.0383 1.89 0.279 0.0422 2.31 2.972 0.995 1247646 IFLab1_004082 CCOC(=O)C1=C(OC(=C(C#N)C1C(C)C)N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J13 compound treatment 0.245 0.0023 0.11 0.247 0.0102 0.56 0.4743 0.8341 1193394 IFLab1_004083 Clc1ccccc1c2ncc3ccccn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J14 compound treatment 0.247 0.0043 0.21 0.25 0.0132 0.72 0.6604 0.878 2067802 IFLab1_004084 CCOC(=O)/C(=C(\C)/O)/C1(CCCCC1)C(C#N)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J15 compound treatment 0.251 0.0083 0.41 0.253 0.0162 0.89 0.9164 0.9386 1285402 IFLab1_004085 Fc1ccc(cc1)S(=O)(=O)N2CCSC2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J16 compound treatment 0.25 0.0073 0.36 0.254 0.0172 0.94 0.9203 0.9133 1535652 IFLab1_004086 CCCSc1nc(C)cc(C)c1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J17 compound treatment 0.258 0.0153 0.76 0.251 0.0142 0.78 1.0833 0.9999 1180294 IFLab1_004087 CCOC(=O)N1CCN(CC(O)COc2cc(C)ccc2C(C)C)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J18 compound treatment 0.242 -7.0E-4 -0.03 0.244 0.00716 0.39 0.2532 0.6424 1280339 IFLab1_004088 Cc1cc(C)c(NC(=O)Cn2cnc3ccccc23)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J19 compound treatment 0.255 0.0123 0.61 0.257 0.0202 1.11 1.2112 0.9602 1370921 IFLab1_004089 Cc1cc(OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc(C)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J20 compound treatment 0.254 0.0113 0.56 0.25 0.0132 0.72 0.9048 0.9919 1913413 IFLab1_004090 OC(=O)CSc1nnnn1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J21 compound treatment 0.282 0.0393 1.94 0.303 0.0662 3.63 3.9374 0.957 2067803 IFLab1_004091 Cc1sc2nc(SCC=C)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J22 compound treatment 0.248 0.0053 0.26 0.247 0.0102 0.56 0.579 0.9407 1458176 IFLab1_004092 COc1ccc(cc1OC)C(C#N)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J23 mock treatment 0.245 0.0023 0.11 0.245 0.00816 0.45 0.3967 0.8593 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 J24 mock treatment 0.248 0.0053 0.26 0.233 -0.00384 -0.21 0.0362 0.1079 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K01 compound treatment 0.241 -0.0017 -0.08 0.219 -0.0178 -0.98 -0.751 -0.765 2067804 IFLab1_004093 ICC1COC[N+]21CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K02 compound treatment 0.286 0.0433 2.14 0.265 0.0282 1.54 2.6038 0.9872 1721556 IFLab1_004094 O=C(CSc1nc2ccccc2[nH]1)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K03 compound treatment 0.248 0.0053 0.26 0.252 0.0152 0.83 0.7729 0.8868 1244153 IFLab1_004095 O=C(COc1ccccc1)Nc2ccccc2c3nc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K04 compound treatment 0.252 0.0093 0.46 0.251 0.0142 0.78 0.8738 0.9686 2067805 IFLab1_004096 CC(O)c1nc2ccccc2n1CC(=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K05 compound treatment 0.248 0.0053 0.26 0.24 0.00316 0.17 0.3076 0.98 1490821 IFLab1_004097 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3CCc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K06 compound treatment 0.274 0.0313 1.55 0.248 0.0112 0.61 1.5257 0.9178 1120666 IFLab1_004098 OP(=O)(c1nccn1c2ccc(NC(=O)c3ccccc3Cl)cc2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K07 compound treatment 0.245 0.0023 0.11 0.245 0.00816 0.45 0.3967 0.8593 1262122 IFLab1_004099 CC1(C)C2(C)CCC1(CC2=O)C(=O)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K08 compound treatment 0.256 0.0133 0.66 0.253 0.0162 0.89 1.091 0.9891 1717379 IFLab1_004100 O=P(N1CCCCCC1)(c2nc3ccccc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K09 compound treatment 0.253 0.0103 0.51 0.25 0.0132 0.72 0.8699 0.9853 2067806 IFLab1_004101 CC12C=C(Br)C2CCC1(C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K10 compound treatment 0.255 0.0123 0.61 0.243 0.00616 0.34 0.6684 0.9617 2067807 IFLab1_004102 CCS/C(=N/c1ccccc1)/Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K11 compound treatment 0.251 0.0083 0.41 0.246 0.00916 0.5 0.645 0.9949 2067808 IFLab1_004103 C[n+]1ccsc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K12 compound treatment 0.321 0.0783 3.87 0.311 0.0742 4.07 5.6093 0.9997 1689552 IFLab1_004104 OC(=O)CCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K13 compound treatment 0.246 0.0033 0.16 0.256 0.0192 1.05 0.8581 0.8071 1613969 IFLab1_004105 Cc1ccc(cc1)C(O)C(C)(C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K14 compound treatment 0.25 0.0073 0.36 0.246 0.00916 0.5 0.6101 0.9868 1362321 IFLab1_004106 COC(=O)c1sc(N)nc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K15 compound treatment 0.251 0.0083 0.41 0.252 0.0152 0.83 0.8776 0.9469 1263917 IFLab1_004107 OC(=O)CCc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K16 compound treatment 0.256 0.0133 0.66 0.259 0.0222 1.22 1.3236 0.9583 2067809 IFLab1_004108 COC(=O)c1ccc(CSc2nccc(O)n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K17 compound treatment 0.259 0.0163 0.8 0.273 0.0362 1.98 1.9712 0.9212 1330843 IFLab1_004109 Clc1ccc(NC(=O)c2cc3ccccc3oc2=N)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K18 compound treatment 0.262 0.0193 0.95 0.3 0.0632 3.46 3.1227 0.8694 2067810 IFLab1_004110 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C(\C#N)/c3ccc(Cl)cc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K19 compound treatment 0.262 0.0193 0.95 0.278 0.0412 2.26 2.2698 0.9265 1609689 IFLab1_004111 CC(C)Cc1cc2c3ccccc3oc(=O)c2c(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K20 compound treatment 0.248 0.0053 0.26 0.253 0.0162 0.89 0.8116 0.8784 2067811 IFLab1_004112 Cc1ccc(cc1)S(=O)(=O)CC(SC#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K21 compound treatment 0.253 0.0103 0.51 0.253 0.0162 0.89 0.9862 0.9653 1038915 IFLab1_004113 OCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K22 compound treatment 0.254 0.0113 0.56 0.25 0.0132 0.72 0.9048 0.9919 2067812 IFLab1_004114 Cc1sc2ncnc(Sc3nnc4ccccn34)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K23 mock treatment 0.247 0.0043 0.21 0.25 0.0132 0.72 0.6604 0.878 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 K24 mock treatment 0.244 0.0013 0.06 0.241 0.00416 0.23 0.2067 0.8722 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L01 compound treatment 0.324 0.0813 4.01 0.333 0.0962 5.27 6.567 0.991 2067813 IFLab1_004115 OC(=O)c1c(NC(=O)/C=C/c2ccco2)sc3CCCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L02 compound treatment 0.256 0.0133 0.66 0.251 0.0142 0.78 1.0134 0.9965 2067814 IFLab1_004116 CCc1ccc(/C=C/2\SC(=S)N(CCC(=O)N3CCCc4ccccc34)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L03 compound treatment 0.261 0.0183 0.9 0.254 0.0172 0.94 1.3043 0.9998 2067815 IFLab1_004117 O=C(CSc1nnc2sc3ccccc3n12)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L04 compound treatment 0.252 0.0093 0.46 0.245 0.00816 0.45 0.6412 0.9999 1721996 IFLab1_004118 Cc1cc(NC(=O)c2coc3ccccc3c2=O)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L05 compound treatment 0.253 0.0103 0.51 0.254 0.0172 0.94 1.025 0.9583 2067816 IFLab1_004119 Fc1ccc(cc1)C(=O)CSc2ncnc3sc4CCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L06 compound treatment 0.255 0.0123 0.61 0.248 0.0112 0.61 0.8622 1.0 1437264 IFLab1_004120 COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L07 compound treatment 0.25 0.0073 0.36 0.248 0.0112 0.61 0.6876 0.9681 1590309 IFLab1_004121 O=C(N1CCN(CC1)c2ccccc2)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L08 compound treatment 0.252 0.0093 0.46 0.25 0.0132 0.72 0.835 0.9762 1865398 IFLab1_004122 OC(=O)C1CCN(CC1)S(=O)(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L09 compound treatment 0.255 0.0123 0.61 0.256 0.0192 1.05 1.1724 0.9661 2067817 IFLab1_004123 Cc1ccc(cc1)S(=O)(=O)NCCSc2nncn2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L10 compound treatment 0.249 0.0063 0.31 0.252 0.0152 0.83 0.8078 0.9101 1004471 IFLab1_004124 NC(=O)COc1ccc(Cl)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L11 compound treatment 0.25 0.0073 0.36 0.255 0.0182 1.0 0.959 0.9056 1310812 IFLab1_004125 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L12 compound treatment 0.253 0.0103 0.51 0.247 0.0102 0.56 0.7536 0.999 1199043 IFLab1_004126 CCCc1n[nH]c2OC(=C(C#N)C(C(C)C)c12)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L13 compound treatment 0.25 0.0073 0.36 0.257 0.0202 1.11 1.0366 0.8915 2067818 IFLab1_004127 Fc1ccccc1c2ncc3ccccn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L14 compound treatment 0.247 0.0043 0.21 0.243 0.00616 0.34 0.389 0.975 2067819 IFLab1_004128 C/C(=C(\C(=O)Nc1ccccc1)/C2(CCCC2)C(C#N)C(=O)N)/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L15 compound treatment 0.259 0.0163 0.8 0.253 0.0162 0.89 1.1957 0.9988 1706740 IFLab1_004129 CC1CC(CC(C)(C)C1)OCC(O)CN2CCN(CC2)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L16 compound treatment 0.248 0.0053 0.26 0.257 0.0202 1.11 0.9667 0.851 1547286 IFLab1_004130 Cc1cc(C)c(C(=O)N)c(SCC(=O)Nc2nccs2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L17 compound treatment 0.263 0.0203 1.0 0.263 0.0262 1.43 1.7231 0.9846 2067820 IFLab1_004131 CCOC(=O)N1CCN(CC(O)COCCC2(CC3CC4CC(C3)C2)C4)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L18 compound treatment 0.252 0.0093 0.46 0.247 0.0102 0.56 0.7187 0.9954 1687920 IFLab1_004132 C(Cn1cnc2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L19 compound treatment 0.254 0.0113 0.56 0.265 0.0282 1.54 1.4864 0.9053 1147315 IFLab1_004133 CC(C)(C)c1ccccc1OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L20 compound treatment 0.247 0.0043 0.21 0.253 0.0162 0.89 0.7767 0.8524 1160809 IFLab1_004134 COc1ccc(cc1)C(=O)Sc2nnnn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L21 compound treatment 0.265 0.0223 1.1 0.283 0.0462 2.53 2.5684 0.9305 2067821 IFLab1_004135 CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L22 compound treatment 0.253 0.0103 0.51 0.246 0.00916 0.5 0.7148 1.0 1409803 IFLab1_004136 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(OC)cc3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L23 mock treatment 0.253 0.0103 0.51 0.256 0.0192 1.05 1.1025 0.9446 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 L24 mock treatment 0.231 -0.0117 -0.58 0.233 -0.00384 -0.21 -0.5574 -0.9064 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M01 compound treatment 0.229 -0.0137 -0.68 0.186 -0.0508 -2.79 -2.4494 -0.8539 1262449 IFLab1_004137 CC(=O)Nc1ccccc1c2nc3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M02 compound treatment 0.253 0.0103 0.51 0.256 0.0192 1.05 1.1025 0.9446 1522274 IFLab1_004138 Cc1nc2ccccc2n1C(=O)CCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M03 compound treatment 0.252 0.0093 0.46 0.244 0.00716 0.39 0.6024 0.997 2067822 IFLab1_004139 O=C(Nc1ccccc1c2nc3ccccc3o2)/C=C/c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M04 compound treatment 0.277 0.0343 1.69 0.267 0.0302 1.65 2.3671 0.9999 1419243 IFLab1_004140 CC(O)c1nc2ccccc2n1Cc3cccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M05 compound treatment 0.243 3.0E-4 0.01 0.254 0.0172 0.94 0.6758 0.7182 1412759 IFLab1_004141 CC1Cc2ccccc2N1C(=O)C3(CCC4(C)C(=O)O3)C4(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M06 compound treatment 0.248 0.0053 0.26 0.254 0.0172 0.94 0.8504 0.8707 1612011 IFLab1_004142 OP(=O)(c1nccn1c2ccc(Cl)nn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M07 compound treatment 0.247 0.0043 0.21 0.241 0.00416 0.23 0.3115 0.9994 1562590 IFLab1_004143 CC1Cc2ccccc2N1C(=O)C3(CCC4(C)C(=O)C3)C4(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M08 compound treatment 0.253 0.0103 0.51 0.251 0.0142 0.78 0.9087 0.979 1556156 IFLab1_004144 Cn1c(nc2ccccc12)P(=O)(O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M09 compound treatment 0.249 0.0063 0.31 0.244 0.00716 0.39 0.4976 0.9934 2067823 IFLab1_004145 CC1(CBr)C2CCC1(C)/C(=N\O)/C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M10 compound treatment 0.261 0.0183 0.9 0.254 0.0172 0.94 1.3043 0.9998 1737929 IFLab1_004146 OC1(CSC(=S)N1Cc2ccco2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M11 compound treatment 0.249 0.0063 0.31 0.248 0.0112 0.61 0.6527 0.9508 1411978 IFLab1_004147 COC(CC(=O)O)c1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M12 compound treatment 0.266 0.0233 1.15 0.25 0.0132 0.72 1.3239 0.9747 1673424 IFLab1_004148 CCOc1ccc(cc1)n2c(csc2=NC(=O)C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M13 compound treatment 0.254 0.0113 0.56 0.265 0.0282 1.54 1.4864 0.9053 2067824 IFLab1_004149 COc1ccc2cc(Br)ccc2c1CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M14 compound treatment 0.278 0.0353 1.74 0.283 0.0462 2.53 3.0223 0.9834 1495820 IFLab1_004150 O=C(CSc1nc2ccccc2c(=O)[nH]1)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M15 compound treatment 0.25 0.0073 0.36 0.248 0.0112 0.61 0.6876 0.9681 1053080 IFLab1_004151 OC(C(O)c1ccccc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M16 compound treatment 0.257 0.0143 0.71 0.253 0.0162 0.89 1.1259 0.9937 2067825 IFLab1_004152 COC(=O)c1ccc(CSC(=S)N(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M17 compound treatment 0.288 0.0453 2.24 0.283 0.0462 2.53 3.3715 0.9981 1189581 IFLab1_004153 CC(=O)Nc1ccc(c(c1)C(=O)O)n2c(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M18 compound treatment 0.266 0.0233 1.15 0.283 0.0462 2.53 2.6033 0.9363 2067826 IFLab1_004154 Fc1ccc(cc1)C(=O)CC(c2cccs2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M19 compound treatment 0.251 0.0083 0.41 0.25 0.0132 0.72 0.8001 0.9641 1393870 IFLab1_004155 Oc1c(C(=O)Nc2nccs2)c(=O)[nH]c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M20 compound treatment 0.238 -0.0047 -0.23 0.238 0.00116 0.06 -0.1191 -0.4948 2067827 IFLab1_004156 CNC(=O)/C=C/c1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M21 compound treatment 0.25 0.0073 0.36 0.252 0.0152 0.83 0.8427 0.9301 2067828 IFLab1_004157 CC(C)n1c(CCCO)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M22 compound treatment 0.253 0.0103 0.51 0.256 0.0192 1.05 1.1025 0.9446 2067829 IFLab1_004158 COC(=O)c1ccc(cc1)N2C(=O)/C(=C\c3cccnc3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M23 mock treatment 0.248 0.0053 0.26 0.247 0.0102 0.56 0.579 0.9407 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 M24 mock treatment 0.235 -0.0077 -0.38 0.223 -0.0138 -0.76 -0.8054 -0.949 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N01 compound treatment 0.224 -0.0187 -0.92 0.208 -0.0288 -1.58 -1.7711 -0.9672 2067830 IFLab1_004159 Clc1ccc(cc1)C(=O)N2CCCCCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N02 compound treatment 0.268 0.0253 1.25 0.264 0.0272 1.49 1.9365 0.9962 2067831 IFLab1_004160 CCc1ccc(/C=C/2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N03 compound treatment 0.305 0.0623 3.08 0.277 0.0402 2.2 3.7325 0.9866 2067832 IFLab1_004161 COc1ccc(/C=C/2\CN(C)C/C(=C/c3ccc(OC)c(OC)c3)/C2=O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N04 compound treatment 0.289 0.0463 2.29 0.273 0.0362 1.98 3.0187 0.9975 1742089 IFLab1_004162 COC(=O)c1sc2ccccc2c1NC(=O)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N05 compound treatment 0.255 0.0123 0.61 0.255 0.0182 1.0 1.1336 0.9719 2067833 IFLab1_004163 O=C(CSc1ncnc2sc3CCCCc3c12)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N06 compound treatment 0.251 0.0083 0.41 0.254 0.0172 0.94 0.9552 0.9307 1592722 IFLab1_004164 CCOc1ccc2n3C(=O)CC(Sc3nc2c1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N07 compound treatment 0.247 0.0043 0.21 0.248 0.0112 0.61 0.5829 0.8998 1324779 IFLab1_004165 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N08 compound treatment 0.249 0.0063 0.31 0.264 0.0272 1.49 1.273 0.8368 1404106 IFLab1_004166 O=C1CC(Sc2nc(nn12)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N09 compound treatment 0.247 0.0043 0.21 0.247 0.0102 0.56 0.5441 0.9126 1330345 IFLab1_004167 CC(C)(C)NC1C(NS(=O)(=O)c2ccccc2)c3cccc4cccc1c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N10 compound treatment 0.246 0.0033 0.16 0.242 0.00516 0.28 0.3153 0.9656 1362202 IFLab1_004168 Cc1cc(C)n(n1)C(=O)CCNC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N11 compound treatment 0.252 0.0093 0.46 0.252 0.0152 0.83 0.9125 0.9609 1475361 IFLab1_004169 C(Sc1nc2ccccc2o1)c3cn4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N12 compound treatment 0.25 0.0073 0.36 0.252 0.0152 0.83 0.8427 0.9301 1562660 IFLab1_004170 CCCc1n[nH]c2OC(=C(C#N)C(C3CCC=CC3)c12)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N13 compound treatment 0.245 0.0023 0.11 0.26 0.0232 1.27 0.9783 0.7673 1272545 IFLab1_004171 COc1ccc(cc1OC)c2ncc3ccccn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N14 compound treatment 0.242 -7.0E-4 -0.03 0.242 0.00516 0.28 0.1757 0.6162 1158072 IFLab1_004172 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)c2cccs2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N15 compound treatment 0.255 0.0123 0.61 0.259 0.0222 1.22 1.2887 0.9487 1297657 IFLab1_004173 CC1(C)C(OCC(O)CN2CCN(CC2)c3ccccc3F)C4(C)CCC1C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N16 compound treatment 0.256 0.0133 0.66 0.257 0.0202 1.11 1.2461 0.9691 1609604 IFLab1_004174 Nc1nc(SC2CCCCC2=O)c(C#N)c(c1C#N)c3ccc(O)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N17 compound treatment 0.255 0.0123 0.61 0.252 0.0152 0.83 1.0173 0.9881 1361801 IFLab1_004175 CCOC(=O)N1CCN(CC(O)COc2ccccc2CC=C)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N18 compound treatment 0.288 0.0453 2.24 0.275 0.0382 2.09 3.0613 0.9994 1452225 IFLab1_004176 CCOc1ccc(cc1)c2nc3ccc(C)cc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N19 compound treatment 0.255 0.0123 0.61 0.25 0.0132 0.72 0.9398 0.9963 1481685 IFLab1_004177 CCc1ccc(OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N20 compound treatment 0.243 3.0E-4 0.01 0.243 0.00616 0.34 0.2494 0.7374 2067834 IFLab1_004178 Clc1cccc(c1)C(=O)Sc2nnnn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N21 compound treatment 0.249 0.0063 0.31 0.256 0.0192 1.05 0.9629 0.8788 1166709 IFLab1_004179 COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N22 compound treatment 0.252 0.0093 0.46 0.259 0.0222 1.22 1.1839 0.9114 2067835 IFLab1_004180 CCSc1nnc2sc3ccccc3n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N23 mock treatment 0.248 0.0053 0.26 0.255 0.0182 1.0 0.8892 0.8636 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 N24 mock treatment 0.239 -0.0037 -0.18 0.222 -0.0148 -0.81 -0.7045 -0.8449 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O01 compound treatment 0.231 -0.0117 -0.58 0.221 -0.0158 -0.87 -1.0226 -0.9804 1589629 IFLab1_004181 CCOC(=O)c1oc2ccccc2c1NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O02 compound treatment 0.255 0.0123 0.61 0.252 0.0152 0.83 1.0173 0.9881 1289953 IFLab1_004182 CCc1nc2ccccc2n1C(=O)c3ccccc3C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O03 compound treatment 0.26 0.0173 0.85 0.257 0.0202 1.11 1.3857 0.9919 2067836 IFLab1_004183 CCOC(=O)c1oc2ccccc2c1NC(=O)CCSc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O04 compound treatment 0.255 0.0123 0.61 0.251 0.0142 0.78 0.9785 0.9926 2067837 IFLab1_004184 CCCn1c(nc2ccccc12)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O05 compound treatment 0.24 -0.0027 -0.13 0.251 0.0142 0.78 0.4548 0.5772 1731872 IFLab1_004185 COc1ccc(NC(=O)C2(CCC3(C)C(=O)O2)C3(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O06 compound treatment 0.253 0.0103 0.51 0.261 0.0242 1.32 1.2964 0.9136 1148178 IFLab1_004186 OP(=O)(c1nc2CCCCc2s1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O07 compound treatment 0.24 -0.0027 -0.13 0.245 0.00816 0.45 0.2221 0.4758 1428100 IFLab1_004187 CC1(C)C2(C)CCC1(CC2=O)C(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O08 compound treatment 0.255 0.0123 0.61 0.254 0.0172 0.94 1.0948 0.9776 2067838 IFLab1_004188 CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O09 compound treatment 0.239 -0.0037 -0.18 0.251 0.0142 0.78 0.4198 0.5263 1699037 IFLab1_004189 O=C(c1ccco1)c2ncc[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O10 compound treatment 0.248 0.0053 0.26 0.25 0.0132 0.72 0.6953 0.9058 1168461 IFLab1_004190 OC1CSC(=S)N1Cc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O11 compound treatment 0.256 0.0133 0.66 0.26 0.0232 1.27 1.3624 0.9529 1285740 IFLab1_004191 C(Cc1nc2ccccc2s1)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O12 compound treatment 0.252 0.0093 0.46 0.257 0.0202 1.11 1.1064 0.9243 1593851 IFLab1_004192 CCOC(=O)c1sc(Nc2ccccc2)nc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O13 compound treatment 0.243 3.0E-4 0.01 0.252 0.0152 0.83 0.5983 0.7196 1231987 IFLab1_004193 COc1ccc2cc(Br)ccc2c1CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O14 compound treatment 0.289 0.0463 2.29 0.293 0.0562 3.08 3.7941 0.9893 1572467 IFLab1_004194 COC(=O)c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O15 compound treatment 0.246 0.0033 0.16 0.249 0.0122 0.67 0.5867 0.8548 2067839 IFLab1_004195 COC(=O)CC1SCCNC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O16 compound treatment 0.249 0.0063 0.31 0.255 0.0182 1.0 0.9241 0.8858 2067840 IFLab1_004196 COC(=O)c1ccc(CSC(=N)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O17 compound treatment 0.251 0.0083 0.41 0.252 0.0152 0.83 0.8776 0.9469 1621447 IFLab1_004197 Nc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O18 compound treatment 0.257 0.0143 0.71 0.257 0.0202 1.11 1.281 0.9766 2067841 IFLab1_004198 Clc1ccc(cc1)C(=O)CC(c2ccco2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O19 compound treatment 0.243 3.0E-4 0.01 0.249 0.0122 0.67 0.482 0.7226 2067842 IFLab1_004199 C(Sc1nc2ccccc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O20 compound treatment 0.243 3.0E-4 0.01 0.254 0.0172 0.94 0.6758 0.7182 2067843 IFLab1_004200 O=C(/N=C/1\SCC(=O)N1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O21 compound treatment 0.246 0.0033 0.16 0.253 0.0162 0.89 0.7418 0.8233 1090872 IFLab1_004201 OC(=O)c1ccccc1c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O22 compound treatment 0.249 0.0063 0.31 0.243 0.00616 0.34 0.4589 0.9992 2067844 IFLab1_004202 Cc1ccc(cc1)c2csc3ncnc(SCCC(=O)O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O23 mock treatment 0.242 -7.0E-4 -0.03 0.245 0.00816 0.45 0.292 0.6505 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 O24 mock treatment 0.24 -0.0027 -0.13 0.215 -0.0218 -1.2 -0.941 -0.781 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P01 compound treatment 0.213 -0.0297 -1.47 0.224 -0.0128 -0.7 -1.5348 -0.9435 1639547 IFLab1_004203 CC1CN(CCC(=O)Nc2ccc3OCCOc3c2)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P02 compound treatment 0.228 -0.0147 -0.73 0.236 -8.39E-4 -0.05 -0.5458 -0.7504 1517519 IFLab1_004204 CC(C)(C)c1csc(NC(=O)c2ccc3OCCOc3c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P03 compound treatment 0.243 3.0E-4 0.01 0.245 0.00816 0.45 0.3269 0.7301 1499175 IFLab1_004205 CCN(CC)C(=S)SC1CCCCN(C(=O)c2ccc(F)cc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P04 compound treatment 0.241 -0.0017 -0.08 0.242 0.00516 0.28 0.1407 0.4768 1662741 IFLab1_004206 CCOC(=O)c1sc2ccccc2c1NC(=O)c3coc4ccccc4c3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P05 compound treatment 0.247 0.0043 0.21 0.248 0.0112 0.61 0.5829 0.8998 1611338 IFLab1_004207 COc1ccc(cc1NC(=O)C)S(=O)(=O)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P06 compound treatment 0.244 0.0013 0.06 0.248 0.0112 0.61 0.4781 0.777 1678592 IFLab1_004208 COc1ccc(cc1C(=O)O)S(=O)(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P07 compound treatment 0.248 0.0053 0.26 0.244 0.00716 0.39 0.4627 0.9806 1717784 IFLab1_004209 Cc1cc(NC(=O)c2ccc(cc2)C(=O)c3ccccc3)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P08 compound treatment 0.249 0.0063 0.31 0.239 0.00216 0.12 0.3038 0.9125 1170257 IFLab1_004210 O=C(NCc1ccc2OCOc2c1)C3(CC3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P09 compound treatment 0.268 0.0253 1.25 0.26 0.0232 1.27 1.7814 1.0 1480904 IFLab1_004211 CC(C)(C)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P10 compound treatment 0.221 -0.0217 -1.07 0.22 -0.0168 -0.92 -1.4106 -0.9972 1608487 IFLab1_004212 CCOC(=O)C1=C(OC(=C(C#N)C1CC(C)C)N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P11 compound treatment 0.245 0.0023 0.11 0.246 0.00916 0.5 0.4355 0.8456 1518616 IFLab1_004213 Clc1cccc(NCc2cn3ccccc3n2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P12 compound treatment 0.216 -0.0267 -1.32 0.226 -0.0108 -0.59 -1.3525 -0.9352 2067845 IFLab1_004214 CCC(C)C1C(=C(N)Oc2[nH]nc(C)c12)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P13 compound treatment 0.243 3.0E-4 0.01 0.25 0.0132 0.72 0.5207 0.7215 1065279 IFLab1_004215 CN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P14 compound treatment 0.22 -0.0227 -1.12 0.216 -0.0208 -1.14 -1.6006 -1.0 1599312 IFLab1_004216 CC1=C(C(C(=C(N1)SCC(=O)O)C#N)c2cccs2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P15 compound treatment 0.247 0.0043 0.21 0.252 0.0152 0.83 0.738 0.8601 1350007 IFLab1_004217 OC(COc1ccccc1CC=C)CN2CCN(CC2)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P16 compound treatment 0.228 -0.0147 -0.73 0.234 -0.00284 -0.16 -0.6234 -0.8396 1151769 IFLab1_004218 N#CC(=C1CCCC1)c2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P17 compound treatment 0.257 0.0143 0.71 0.257 0.0202 1.11 1.281 0.9766 1573234 IFLab1_004219 CCOC(=O)N1CCN(CC(O)COc2ccc(cc2)C3CCCCC3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P18 compound treatment 0.225 -0.0177 -0.87 0.247 0.0102 0.56 -0.2241 -0.2162 2067846 IFLab1_004220 Cc1ccc2nc(NC(=O)c3ccccc3C(=O)O)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P19 compound treatment 0.233 -0.0097 -0.48 0.244 0.00716 0.39 -0.0611 -0.0986 1192690 IFLab1_004221 OC(=O)c1cccc(c1)c2ccc(O)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P20 compound treatment 0.249 0.0063 0.31 0.246 0.00916 0.5 0.5752 0.9735 1585548 IFLab1_004222 COc1cccc(c1)C(=O)SC2=NCCS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P21 compound treatment 0.242 -7.0E-4 -0.03 0.235 -0.00184 -0.1 -0.0957 -0.8982 2067847 IFLab1_004223 Cc1sc2nc(SCC(=O)NCCO)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P22 compound treatment 0.232 -0.0107 -0.53 0.22 -0.0168 -0.92 -1.0265 -0.9649 1284329 IFLab1_004224 O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P23 mock treatment 0.218 -0.0247 -1.22 0.221 -0.0158 -0.87 -1.4765 -0.9861 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1423 P24 mock treatment 0.206 -0.0367 -1.81 0.218 -0.0188 -1.03 -2.0119 -0.9645 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A01 compound treatment 0.19 -0.0382 -1.89 0.188 -0.0602 -3.3 -3.6668 -0.9648 1612472 IFLab1_004225 Cc1ccc(cc1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A02 compound treatment 0.192 -0.0362 -1.79 0.222 -0.0262 -1.44 -2.2787 -0.9941 1493512 IFLab1_004226 Cc1ccccc1CN2C(=O)C(O)(CC(=O)c3ccc(N)cc3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A03 compound treatment 0.193 -0.0352 -1.74 0.234 -0.0142 -0.78 -1.7786 -0.9341 1393816 IFLab1_004227 COc1ccc(cc1OC)C(=O)Oc2ccc3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A04 compound treatment 0.215 -0.0132 -0.65 0.232 -0.0162 -0.89 -1.0879 -0.9885 2067848 IFLab1_004228 NS(=O)(=O)c1cc(ccc1F)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A05 compound treatment 0.215 -0.0132 -0.65 0.227 -0.0212 -1.16 -1.2818 -0.9628 2067849 IFLab1_004229 Cc1ccc(cc1)S(=O)(=O)/N=C(/N)\c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A06 compound treatment 0.222 -0.0062 -0.31 0.242 -0.00617 -0.34 -0.4558 -0.9987 1141228 IFLab1_004230 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)NCCN4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A07 compound treatment 0.223 -0.0052 -0.26 0.238 -0.0102 -0.56 -0.576 -0.938 1004437 IFLab1_004231 Nc1ccc(cc1)c2ccc(N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A08 compound treatment 0.222 -0.0062 -0.31 0.228 -0.0202 -1.11 -0.9986 -0.8701 2067850 IFLab1_004232 Fc1ccccc1CSCCC(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A09 compound treatment 0.236 0.0078 0.39 0.242 -0.00617 -0.34 0.0331 0.0645 2067851 IFLab1_004233 CCCn1c(CCCNC(=O)c2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A10 compound treatment 0.217 -0.0112 -0.55 0.239 -0.00917 -0.5 -0.7467 -0.9989 1320853 IFLab1_004234 CN(C)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A11 compound treatment 0.227 -0.0012 -0.06 0.236 -0.0122 -0.67 -0.5138 -0.7669 2067852 IFLab1_004235 CC(C)Cc1nc2ccccc2n1CC(=C)Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A12 compound treatment 0.223 -0.0052 -0.26 0.248 -1.72E-4 -0.01 -0.1883 -0.7326 1356380 IFLab1_004236 CC1CCN(CC1)c2nc(C)nc3sc(C(=O)N4CCOCC4)c(C)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A13 compound treatment 0.22 -0.0082 -0.4 0.215 -0.0332 -1.82 -1.5724 -0.8439 1777377 IFLab1_004237 OC(=O)C1CCCN1S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A14 compound treatment 0.267 0.0388 1.92 0.257 0.00883 0.48 1.6971 0.8588 1213553 IFLab1_004238 CN(C)c1ccc(cc1)C(O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A15 compound treatment 0.238 0.0098 0.48 0.244 -0.00417 -0.23 0.1804 0.3371 2067853 IFLab1_004239 CCOC(=O)CSc1nc(C)c2ccc(C)cc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A16 compound treatment 0.217 -0.0112 -0.55 0.234 -0.0142 -0.78 -0.9406 -0.9861 2067854 IFLab1_004240 Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)/SC2=S)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A17 compound treatment 0.245 0.0168 0.83 0.238 -0.0102 -0.56 0.1922 0.1923 1585819 IFLab1_004241 Cc1ccccc1NC(=O)CSc2nc3ccc(N)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A18 compound treatment 0.22 -0.0082 -0.4 0.217 -0.0312 -1.71 -1.4949 -0.8511 2067855 IFLab1_004242 Brc1cccc(/N=C/c2ccc(OC(=O)c3ccccn3)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A19 compound treatment 0.239 0.0108 0.53 0.229 -0.0192 -1.05 -0.3662 -0.3107 1213026 IFLab1_004243 CCC(C)NS(=O)(=O)c1cccc2nsnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A20 compound treatment 0.221 -0.0072 -0.36 0.224 -0.0242 -1.33 -1.1886 -0.8662 1179632 IFLab1_004244 Cc1sc2nc(SC3CCOC3=O)[nH]c(=O)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A21 compound treatment 0.207 -0.0212 -1.05 0.228 -0.0202 -1.11 -1.5224 -0.9996 1582509 IFLab1_004245 CCCOc1ccc(cc1OC)C(=O)NCC2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A22 compound treatment 0.21 -0.0182 -0.9 0.235 -0.0132 -0.72 -1.1462 -0.9941 1015772 IFLab1_004246 OCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A23 mock treatment 0.204 -0.0242 -1.2 0.209 -0.0392 -2.15 -2.3637 -0.9617 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 A24 mock treatment 0.18 -0.0482 -2.38 0.197 -0.0512 -2.81 -3.667 -0.9966 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B01 compound treatment 0.211 -0.0172 -0.85 0.224 -0.0242 -1.33 -1.5378 -0.9769 2067856 IFLab1_004247 COc1ccc(cc1)c2nnc(SCC(=O)c3ccc(Cl)cc3)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B02 compound treatment 0.245 0.0168 0.83 0.255 0.00683 0.37 0.8513 0.9354 1595456 IFLab1_004248 CCC(CO)NCC(O)CN1c2ccccc2Sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B03 compound treatment 0.236 0.0078 0.39 0.255 0.00683 0.37 0.5371 0.9999 2067857 IFLab1_004249 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B04 compound treatment 0.248 0.0198 0.98 0.255 0.00683 0.37 0.9561 0.9132 1435499 IFLab1_004250 Cc1nc2ccccc2n1CC(O)COc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B05 compound treatment 0.237 0.0088 0.43 0.258 0.00983 0.54 0.6883 0.9943 2067858 IFLab1_004251 Cc1ccc(SCC(=O)N2CCCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B06 compound treatment 0.267 0.0388 1.92 0.269 0.0208 1.14 2.1623 0.9694 1629445 IFLab1_004252 OCc1nc2ccccc2n1CC(O)COc3ccc(OCc4ccccc4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B07 compound treatment 0.242 0.0138 0.68 0.256 0.00783 0.43 0.7853 0.9752 1490604 IFLab1_004253 CCOC(=O)N1CCN(CC1)C(=O)CSc2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B08 compound treatment 0.253 0.0248 1.22 0.264 0.0158 0.87 1.4796 0.9858 1513930 IFLab1_004254 Clc1ccc(OC(=O)N2CCCCC2)c3ncccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B09 compound treatment 0.246 0.0178 0.88 0.26 0.0118 0.65 1.0801 0.9888 1565645 IFLab1_004255 Fc1ccc(NC(=O)CSC2CCCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B10 compound treatment 0.235 0.0068 0.34 0.256 0.00783 0.43 0.5409 0.9926 2067859 IFLab1_004256 CCOC(=O)N=c1oc2ccccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B11 compound treatment 0.234 0.0058 0.29 0.252 0.00383 0.21 0.3509 0.9883 1329469 IFLab1_004257 O=C(CSCc1ccco1)Nc2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B12 compound treatment 0.239 0.0108 0.53 0.252 0.00383 0.21 0.5255 0.9169 2067860 IFLab1_004258 CCOC(=O)Cc1nc(O)cs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B13 compound treatment 0.277 0.0488 2.41 0.291 0.0428 2.35 3.3644 0.9999 2067861 IFLab1_004259 Oc1c(Br)cc(Br)cc1/C=N/c2ccccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B14 compound treatment 0.263 0.0348 1.72 0.281 0.0328 1.8 2.4879 0.9997 1601596 IFLab1_004260 Clc1cc2CN(COc2c3ncccc13)C4CCS(=O)(=O)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B15 compound treatment 0.245 0.0168 0.83 0.254 0.00583 0.32 0.8126 0.914 1602324 IFLab1_004261 COc1ccc2oc(=O)c(cc2c1)C(=O)NC3=C(CCC3)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B16 compound treatment 0.262 0.0338 1.67 0.264 0.0158 0.87 1.7939 0.9536 1586226 IFLab1_004262 COc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B17 compound treatment 0.25 0.0218 1.08 0.263 0.0148 0.81 1.3361 0.9904 1918439 IFLab1_004263 CCOc1ccc(/N=C/c2ccc(cc2O)N(CC)CC)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B18 compound treatment 0.253 0.0248 1.22 0.256 0.00783 0.43 1.1694 0.9012 1291626 IFLab1_004264 O=S(=O)(NC1CCCCC1NCc2ccco2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B19 compound treatment 0.248 0.0198 0.98 0.247 -0.00117 -0.06 0.6459 0.6592 1722803 IFLab1_004265 COc1ccc(c2ccccc12)S(=O)(=O)NCc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B20 compound treatment 0.243 0.0148 0.73 0.251 0.00283 0.16 0.6264 0.8384 1200025 IFLab1_004266 Brc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B21 compound treatment 0.245 0.0168 0.83 0.253 0.00483 0.26 0.7738 0.8886 1376706 IFLab1_004267 COc1ccc(OC)c(c1)S(=O)(=O)NC(C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B22 compound treatment 0.241 0.0128 0.63 0.248 -1.72E-4 -0.01 0.4403 0.6965 1417127 IFLab1_004268 COc1ccccc1NC(=O)c2c(C)nc3ccccc3c2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B23 mock treatment 0.229 8.0E-4 0.04 0.253 0.00483 0.26 0.2151 0.8037 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 B24 mock treatment 0.194 -0.0342 -1.69 0.246 -0.00217 -0.12 -1.2784 -0.7551 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C01 compound treatment 0.206 -0.0222 -1.1 0.227 -0.0212 -1.16 -1.596 -0.9996 2067862 IFLab1_004269 CN(C)C(C#N)c1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C02 compound treatment 0.231 0.0028 0.14 0.243 -0.00517 -0.28 -0.1028 -0.3257 1399619 IFLab1_004270 Cc1ccc(cc1NC(=O)c2ccc(F)cc2)c3nc4ncccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C03 compound treatment 0.232 0.0038 0.19 0.236 -0.0122 -0.67 -0.3392 -0.4893 1145310 IFLab1_004271 COC(=O)c1c(C)n2CCCc2c1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C04 compound treatment 0.24 0.0118 0.58 0.253 0.00483 0.26 0.5992 0.9362 1401068 IFLab1_004272 Cc1ccc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)N3CCCC3)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C05 compound treatment 0.233 0.0048 0.24 0.241 -0.00717 -0.39 -0.1105 -0.2406 1244776 IFLab1_004273 CC(C)(C)C(=O)NS(=O)(=O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C06 compound treatment 0.226 -0.0022 -0.11 0.24 -0.00817 -0.45 -0.3937 -0.8538 1257119 IFLab1_004274 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C07 compound treatment 0.239 0.0108 0.53 0.244 -0.00417 -0.23 0.2153 0.3711 1221558 IFLab1_004275 COc1ccccc1N2CCN(Cc3cc(Cl)c(O)c4ncccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C08 compound treatment 0.241 0.0128 0.63 0.253 0.00483 0.26 0.6341 0.9254 1215843 IFLab1_004276 COc1ccc(CNC(=O)CSCc2ccccc2F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C09 compound treatment 0.233 0.0048 0.24 0.245 -0.00317 -0.17 0.0446 0.1517 2067863 IFLab1_004277 C1COc2cc(ccc2O1)C3=Nn4cnnc4SC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C10 compound treatment 0.231 0.0028 0.14 0.24 -0.00817 -0.45 -0.2191 -0.4672 1311268 IFLab1_004278 CC1=C(C(C2=C(CCCC2=O)N1)c3c(F)cccc3Cl)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C11 compound treatment 0.225 -0.0032 -0.16 0.236 -0.0122 -0.67 -0.5837 -0.851 2067864 IFLab1_004279 CC(C)c1nc2ccccc2n1CC(=C)Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C12 compound treatment 0.237 0.0088 0.43 0.246 -0.00217 -0.12 0.2231 0.495 1436807 IFLab1_004280 CCCNC(=O)c1ccc2n(cnc2c1)c3ccccc3OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C13 compound treatment 0.229 8.0E-4 0.04 0.24 -0.00817 -0.45 -0.2889 -0.6423 1247600 IFLab1_004281 O=c1oc(nc2ccccc12)c3ccc(cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C14 compound treatment 0.224 -0.0042 -0.21 0.244 -0.00417 -0.23 -0.3084 -0.9988 1851046 IFLab1_004282 OCc1ccc(O)c2ncccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C15 compound treatment 0.233 0.0048 0.24 0.238 -0.0102 -0.56 -0.2268 -0.3742 1133645 IFLab1_004283 COC(=O)CC1(O)N(Cc2ccccc2)C(=O)c3ccccc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C16 compound treatment 0.247 0.0188 0.93 0.251 0.00283 0.16 0.7661 0.8139 2067865 IFLab1_004284 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C17 compound treatment 0.243 0.0148 0.73 0.246 -0.00217 -0.12 0.4326 0.5842 1667144 IFLab1_004285 O=C(c1ccco1)c2nnn(Cc3ccccc3)c2c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C18 compound treatment 0.238 0.0098 0.48 0.251 0.00283 0.16 0.4518 0.8891 2067866 IFLab1_004286 Brc1cccc(/N=C/c2ccc(OC(=O)c3ccncc3)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C19 compound treatment 0.245 0.0168 0.83 0.252 0.00383 0.21 0.735 0.8589 1580942 IFLab1_004287 COc1ccccc1CNC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCC(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C20 compound treatment 0.226 -0.0022 -0.11 0.24 -0.00817 -0.45 -0.3937 -0.8538 1053978 IFLab1_004288 OC(=O)CCNc1ccccc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C21 compound treatment 0.23 0.0018 0.09 0.237 -0.0112 -0.61 -0.3703 -0.5982 1151524 IFLab1_004289 Brc1ccccc1C(=O)NCC2OCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C22 compound treatment 0.233 0.0048 0.24 0.238 -0.0102 -0.56 -0.2268 -0.3742 1377098 IFLab1_004290 Oc1nc2ccccc2nc1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C23 mock treatment 0.227 -0.0012 -0.06 0.238 -0.0102 -0.56 -0.4363 -0.7779 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 C24 mock treatment 0.214 -0.0142 -0.7 0.231 -0.0172 -0.94 -1.1616 -0.9895 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D01 compound treatment 0.218 -0.0102 -0.5 0.249 8.28E-4 0.05 -0.3241 -0.6408 1642800 IFLab1_004291 O=S(=O)(NC1CCS(=O)(=O)C1)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D02 compound treatment 0.245 0.0168 0.83 0.254 0.00583 0.32 0.8126 0.914 1578807 IFLab1_004292 OCCN1CCN(CC1)C(=O)CSc2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D03 compound treatment 0.239 0.0108 0.53 0.251 0.00283 0.16 0.4867 0.8764 1428593 IFLab1_004293 Cc1cc(=O)cc(C)n1c2ccc(O)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D04 compound treatment 0.239 0.0108 0.53 0.244 -0.00417 -0.23 0.2153 0.3711 2067867 IFLab1_004294 CC(C)c1cc(C(C)C)c(cc1NC(=O)C)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D05 compound treatment 0.237 0.0088 0.43 0.245 -0.00317 -0.17 0.1843 0.3937 2067868 IFLab1_004295 O=C(CSC1CCCCC1)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D06 compound treatment 0.251 0.0228 1.13 0.251 0.00283 0.16 0.9058 0.797 1118201 IFLab1_004296 CC(=O)N1CCN(CC(O)COc2ccc(OCc3ccccc3)cc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D07 compound treatment 0.237 0.0088 0.43 0.252 0.00383 0.21 0.4557 0.9442 1708765 IFLab1_004297 O=C(CSC1=NCCS1)N2CCC(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D08 compound treatment 0.238 0.0098 0.48 0.256 0.00783 0.43 0.6457 0.9982 1204115 IFLab1_004298 CN(C)C(=O)Oc1ccc(Cl)c2cccnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D09 compound treatment 0.236 0.0078 0.39 0.249 8.28E-4 0.05 0.3044 0.785 1712972 IFLab1_004299 COc1ccc(NC(=O)CSC2=NCCS2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D10 compound treatment 0.303 0.0748 3.69 0.306 0.0578 3.17 4.8539 0.9971 2067869 IFLab1_004300 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3O)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D11 compound treatment 0.238 0.0098 0.48 0.252 0.00383 0.21 0.4906 0.9301 2067870 IFLab1_004301 O=C(CSC1=NCCS1)Nc2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D12 compound treatment 0.253 0.0248 1.22 0.249 8.28E-4 0.05 0.8981 0.7328 1198909 IFLab1_004302 Oc1c(ccc2cccnc12)C(N3CCCC3)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D13 compound treatment 0.253 0.0248 1.22 0.26 0.0118 0.65 1.3245 0.9558 2067871 IFLab1_004303 Oc1ccc(/C=N\c2sc3CCCCc3c2C#N)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D14 compound treatment 0.25 0.0218 1.08 0.247 -0.00117 -0.06 0.7158 0.6637 1184389 IFLab1_004304 OC(COc1ccc2CCCc2c1)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D15 compound treatment 0.235 0.0068 0.34 0.253 0.00483 0.26 0.4246 0.9931 1344107 IFLab1_004305 Fc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D16 compound treatment 0.247 0.0188 0.93 0.253 0.00483 0.26 0.8436 0.8739 1623111 IFLab1_004306 CC(C)n1c(NCCO)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D17 compound treatment 0.252 0.0238 1.18 0.259 0.0108 0.59 1.2508 0.95 1208439 IFLab1_004307 COc1cccc2cc(C(=O)N3CCCc4ccccc34)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D18 compound treatment 0.252 0.0238 1.18 0.254 0.00583 0.32 1.057 0.8678 1445043 IFLab1_004308 CN(C)C1CCCCC1NS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D19 compound treatment 0.263 0.0348 1.72 0.265 0.0168 0.92 1.8676 0.9575 1647688 IFLab1_004309 COc1ccc(c2ccccc12)S(=O)(=O)Nc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D20 compound treatment 0.235 0.0068 0.34 0.247 -0.00117 -0.06 0.192 0.5615 1587839 IFLab1_004310 Fc1ccccc1C2C3=C(CCCC3=O)Nc4ncnn24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D21 compound treatment 0.24 0.0118 0.58 0.244 -0.00417 -0.23 0.2503 0.3998 1133679 IFLab1_004311 CCOc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D22 compound treatment 0.238 0.0098 0.48 0.249 8.28E-4 0.05 0.3743 0.77 1219904 IFLab1_004312 CCOc1cc2SCC(=O)Nc2cc1C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D23 mock treatment 0.235 0.0068 0.34 0.245 -0.00317 -0.17 0.1144 0.3026 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 D24 mock treatment 0.229 8.0E-4 0.04 0.243 -0.00517 -0.28 -0.1726 -0.6028 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E01 compound treatment 0.231 0.0028 0.14 0.25 0.00183 0.1 0.1686 0.9875 1512753 IFLab1_004313 COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N4CCCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E02 compound treatment 0.241 0.0128 0.63 0.25 0.00183 0.1 0.5178 0.8091 1169697 IFLab1_004314 Cc1nc2ccc(Cl)cc2c(O)c1CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E03 compound treatment 0.247 0.0188 0.93 0.255 0.00683 0.37 0.9212 0.9202 2067872 IFLab1_004315 COC(=O)/C=C/1\SC(=NC1=O)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E04 compound treatment 0.256 0.0278 1.37 0.268 0.0198 1.09 1.7394 0.9933 1505449 IFLab1_004316 COc1ccccc1NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E05 compound treatment 0.308 0.0798 3.94 0.283 0.0348 1.91 4.1367 0.9447 1650517 IFLab1_004317 OCCNC(=O)c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E06 compound treatment 0.241 0.0128 0.63 0.252 0.00383 0.21 0.5953 0.8939 1690222 IFLab1_004318 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E07 compound treatment 0.242 0.0138 0.68 0.255 0.00683 0.37 0.7466 0.9602 1251542 IFLab1_004319 NC(=O)C1(CC1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E08 compound treatment 0.252 0.0238 1.18 0.265 0.0168 0.92 1.4835 0.9928 2067873 IFLab1_004320 Fc1cccc(CSCCC(=O)N2CCc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E09 compound treatment 0.25 0.0218 1.08 0.262 0.0138 0.76 1.2973 0.9853 2067874 IFLab1_004321 CC(C)(C)c1nnc2SCC(=Nn12)c3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E10 compound treatment 0.255 0.0268 1.32 0.261 0.0128 0.7 1.4331 0.9562 2067875 IFLab1_004322 Clc1ccccc1CSc2ncccc2C(=O)NCCCN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E11 compound treatment 0.246 0.0178 0.88 0.246 -0.00217 -0.12 0.5373 0.6057 1330239 IFLab1_004323 COC(=O)c1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E12 compound treatment 0.262 0.0338 1.67 0.261 0.0128 0.7 1.6776 0.9262 1169734 IFLab1_004324 COc1ccc(cc1)n2cnc3cc(ccc23)C(=O)NCc4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E13 compound treatment 0.273 0.0448 2.21 0.264 0.0158 0.87 2.178 0.9165 1551497 IFLab1_004325 NC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E14 compound treatment 0.238 0.0098 0.48 0.249 8.28E-4 0.05 0.3743 0.77 2067876 IFLab1_004326 CN(C)C(=O)Cc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E15 compound treatment 0.24 0.0118 0.58 0.25 0.00183 0.1 0.4829 0.8167 2067877 IFLab1_004327 O=C1C=CC(=O)N1CC(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E16 compound treatment 0.251 0.0228 1.13 0.251 0.00283 0.16 0.9058 0.797 1555179 IFLab1_004328 COc1ccc(OCc2nc3ccccc3n2CC=C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E17 compound treatment 0.257 0.0288 1.42 0.258 0.00983 0.54 1.3867 0.9118 1719407 IFLab1_004329 NS(=O)(=O)c1cccc(c1)C(=O)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E18 compound treatment 0.261 0.0328 1.62 0.263 0.0148 0.81 1.7202 0.9492 2067878 IFLab1_004330 COc1cc(/C=N/c2ccc(NC(=O)C)cc2)ccc1OC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E19 compound treatment 0.236 0.0078 0.39 0.247 -0.00117 -0.06 0.2269 0.5811 1656405 IFLab1_004331 COc1cccc(CSCC(=O)NCc2ccccc2Cl)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E20 compound treatment 0.266 0.0378 1.87 0.266 0.0178 0.98 2.0111 0.9544 2067879 IFLab1_004332 O/N=C/1\C(=O)N(Cc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E21 compound treatment 0.246 0.0178 0.88 0.25 0.00183 0.1 0.6924 0.7826 1985559 IFLab1_004333 Nc1nc(N)n(n1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E22 compound treatment 0.251 0.0228 1.13 0.264 0.0158 0.87 1.4098 0.9917 2067880 IFLab1_004334 COC(=O)c1cccc2/C(=N/O)/C(=O)Nc21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E23 mock treatment 0.236 0.0078 0.39 0.243 -0.00517 -0.28 0.0718 0.1502 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 E24 mock treatment 0.218 -0.0102 -0.5 0.248 -1.72E-4 -0.01 -0.3628 -0.7203 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F01 compound treatment 0.224 -0.0042 -0.21 0.246 -0.00217 -0.12 -0.2309 -0.9653 1326153 IFLab1_004335 COc1ccc(cc1)c2nc3SC(CC(=O)n3n2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F02 compound treatment 0.266 0.0378 1.87 0.275 0.0268 1.47 2.36 0.993 1162856 IFLab1_004336 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CNCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F03 compound treatment 0.25 0.0218 1.08 0.255 0.00683 0.37 1.0259 0.9001 1138912 IFLab1_004337 Cc1cc(=O)cc(C)n1c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F04 compound treatment 0.258 0.0298 1.47 0.256 0.00783 0.43 1.344 0.8768 1439026 IFLab1_004338 OC(COc1ccccc1CC=C)Cn2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F05 compound treatment 0.247 0.0188 0.93 0.257 0.00883 0.48 0.9987 0.9539 2067881 IFLab1_004339 Cn1cnnc1SCC(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F06 compound treatment 0.257 0.0288 1.42 0.267 0.0188 1.03 1.7356 0.9876 1641305 IFLab1_004340 OC(CNCc1ccccc1)Cn2c3CCCCc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F07 compound treatment 0.245 0.0168 0.83 0.261 0.0128 0.7 1.084 0.9966 1306960 IFLab1_004341 O=C(CSC1CCCCC1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F08 compound treatment 0.253 0.0248 1.22 0.262 0.0138 0.76 1.4021 0.9734 2067882 IFLab1_004342 CCN(CC)C(=O)Oc1ccc2ccccc2c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F09 compound treatment 0.251 0.0228 1.13 0.252 0.00383 0.21 0.9445 0.8247 1441301 IFLab1_004343 CCOc1ccc(NC(=O)CSC2CCCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F10 compound treatment 0.256 0.0278 1.37 0.263 0.0148 0.81 1.5456 0.9687 1317691 IFLab1_004344 Nc1nc(SCC(=O)NCc2ccccn2)nc3sc4CCCCc4c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F11 compound treatment 0.239 0.0108 0.53 0.248 -1.72E-4 -0.01 0.3704 0.6945 2067883 IFLab1_004345 CCSc1nnc(NC(=O)CSc2ncccn2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F12 compound treatment 0.285 0.0568 2.8 0.277 0.0288 1.58 3.101 0.9632 1124758 IFLab1_004346 CC1CCN(CC1)C(c2ccccc2)c3ccc4cccnc4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F13 compound treatment 0.249 0.0208 1.03 0.262 0.0138 0.76 1.2624 0.9888 2067884 IFLab1_004347 COc1ccc(/N=C/c2cc(Br)ccc2O)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F14 compound treatment 0.249 0.0208 1.03 0.255 0.00683 0.37 0.991 0.9065 1176626 IFLab1_004348 CCN1CCN(CC(O)COc2ccc3CCCc3c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F15 compound treatment 0.25 0.0218 1.08 0.27 0.0218 1.2 1.6075 0.9986 2067885 IFLab1_004349 COc1ccc(O)c(/C=N/c2cc(C)ccn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F16 compound treatment 0.257 0.0288 1.42 0.258 0.00983 0.54 1.3867 0.9118 1676471 IFLab1_004350 CCCc1nc2ccccc2n1C(=O)CCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F17 compound treatment 0.264 0.0358 1.77 0.278 0.0298 1.64 2.4065 0.9992 2067886 IFLab1_004351 COc1cccc(/C=N/CCN2CCOCC2)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F18 compound treatment 0.251 0.0228 1.13 0.256 0.00783 0.43 1.0996 0.9126 1442728 IFLab1_004352 O=S(=O)(NC1CCCCC1Nc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F19 compound treatment 0.231 0.0028 0.14 0.257 0.00883 0.48 0.44 0.8741 1347669 IFLab1_004353 CC(=O)Nc1ccc(NC(=O)C2CC(=CCC2C(=O)O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F20 compound treatment 0.236 0.0078 0.39 0.256 0.00783 0.43 0.5758 0.9985 1571146 IFLab1_004354 COc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ncnn24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F21 compound treatment 0.247 0.0188 0.93 0.25 0.00183 0.1 0.7273 0.7789 1283413 IFLab1_004355 COc1c(Cl)c(Cl)ccc1S(=O)(=O)n2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F22 compound treatment 0.242 0.0138 0.68 0.248 -1.72E-4 -0.01 0.4752 0.6972 2067887 IFLab1_004356 CCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F23 mock treatment 0.242 0.0138 0.68 0.255 0.00683 0.37 0.7466 0.9602 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 F24 mock treatment 0.23 0.0018 0.09 0.253 0.00483 0.26 0.25 0.8954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G01 compound treatment 0.218 -0.0102 -0.5 0.24 -0.00817 -0.45 -0.673 -0.9983 1263425 IFLab1_004357 COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G02 compound treatment 0.247 0.0188 0.93 0.261 0.0128 0.7 1.1538 0.9906 1188495 IFLab1_004358 COc1ccc2oc(=O)c(cc2c1)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G03 compound treatment 0.241 0.0128 0.63 0.243 -0.00517 -0.28 0.2464 0.3557 1336676 IFLab1_004359 CC(C)(NC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3ccc(F)cc3)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G04 compound treatment 0.272 0.0438 2.16 0.292 0.0438 2.4 3.2286 0.9986 1214090 IFLab1_004360 CCc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G05 compound treatment 0.244 0.0158 0.78 0.243 -0.00517 -0.28 0.3512 0.423 1718943 IFLab1_004361 CCCCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G06 compound treatment 0.245 0.0168 0.83 0.254 0.00583 0.32 0.8126 0.914 1471839 IFLab1_004362 Cc1cccc(c1)n2cnc3cc(ccc23)C(=O)NCc4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G07 compound treatment 0.258 0.0298 1.47 0.27 0.0218 1.2 1.8868 0.9947 2067888 IFLab1_004363 CCN1C(=O)/C(=C\c2cc(C)n(c2C)c3ccccc3)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G08 compound treatment 0.256 0.0278 1.37 0.261 0.0128 0.7 1.468 0.9517 2067889 IFLab1_004364 Fc1ccccc1CSCCC(=O)N2CCN(CC2)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G09 compound treatment 0.248 0.0198 0.98 0.251 0.00283 0.16 0.801 0.8091 1246979 IFLab1_004365 C(Sc1nc2ccccc2o1)c3cn4ccsc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G10 compound treatment 0.322 0.0938 4.63 0.29 0.0418 2.29 4.897 0.9474 1569276 IFLab1_004366 CCOc1ccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G11 compound treatment 0.248 0.0198 0.98 0.248 -1.72E-4 -0.01 0.6847 0.7002 2067890 IFLab1_004367 CC(=O)Nc1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G12 compound treatment 0.251 0.0228 1.13 0.249 8.28E-4 0.05 0.8282 0.735 1123327 IFLab1_004368 CCC(C)NC(=O)c1ccc2n(cnc2c1)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G13 compound treatment 0.251 0.0228 1.13 0.257 0.00883 0.48 1.1384 0.9289 2067891 IFLab1_004369 Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G14 compound treatment 0.263 0.0348 1.72 0.271 0.0228 1.25 2.1002 0.9879 1520717 IFLab1_004370 O=C(Nc1ncccn1)C2c3ccccc3Oc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G15 compound treatment 0.239 0.0108 0.53 0.259 0.0108 0.59 0.7969 0.9986 1488402 IFLab1_004371 On1c(=O)c(=O)n(OCc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G16 compound treatment 0.245 0.0168 0.83 0.25 0.00183 0.1 0.6575 0.7868 1299945 IFLab1_004372 CC(O)c1nc2ccccc2n1Cc3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G17 compound treatment 0.286 0.0578 2.85 0.291 0.0428 2.35 3.6787 0.9953 1169121 IFLab1_004373 CCOC(=O)c1c(oc2ccc(OCC(=O)N)cc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G18 compound treatment 0.255 0.0268 1.32 0.259 0.0108 0.59 1.3556 0.9346 1361535 IFLab1_004374 CSc1nc(cn1c2ccc(NC(=O)C)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G19 compound treatment 0.273 0.0448 2.21 0.287 0.0388 2.13 3.0697 0.9998 1490777 IFLab1_004375 Cc1ccc(cc1Cl)n2c(SCC(=O)c3ccccc3)nc4[nH]ncc4c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G20 compound treatment 0.246 0.0178 0.88 0.253 0.00483 0.26 0.8087 0.881 2067892 IFLab1_004376 O/N=C\1/CCCc2oc(cc12)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G21 compound treatment 0.262 0.0338 1.67 0.259 0.0108 0.59 1.6 0.9032 1501794 IFLab1_004377 COc1ccccc1N2CCN(CCC(=O)Nc3ccc4CCCc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G22 compound treatment 0.241 0.0128 0.63 0.255 0.00683 0.37 0.7117 0.9687 1914379 IFLab1_004378 CCSc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G23 mock treatment 0.241 0.0128 0.63 0.244 -0.00417 -0.23 0.2852 0.4242 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 G24 mock treatment 0.225 -0.0032 -0.16 0.252 0.00383 0.21 0.0367 0.1395 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H01 compound treatment 0.218 -0.0102 -0.5 0.243 -0.00517 -0.28 -0.5567 -0.9631 2067893 IFLab1_004379 COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H02 compound treatment 0.247 0.0188 0.93 0.254 0.00583 0.32 0.8824 0.8987 1601208 IFLab1_004380 CCN(CC)CC(O)Cn1c(cc2ccccc12)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H03 compound treatment 0.247 0.0188 0.93 0.253 0.00483 0.26 0.8436 0.8739 1693007 IFLab1_004381 CCc1cc(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H04 compound treatment 0.259 0.0308 1.52 0.265 0.0168 0.92 1.7279 0.9713 1684917 IFLab1_004382 Cc1ccc(OCC(O)Cn2cnc3ccccc23)c(CC=C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H05 compound treatment 0.242 0.0138 0.68 0.249 8.28E-4 0.05 0.514 0.7525 1361158 IFLab1_004383 O=C(CSC1CCCCC1)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H06 compound treatment 0.255 0.0268 1.32 0.249 8.28E-4 0.05 0.9679 0.7309 1142337 IFLab1_004384 CCC(CO)NCC(O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H07 compound treatment 0.24 0.0118 0.58 0.259 0.0108 0.59 0.8318 1.0 1686398 IFLab1_004385 O=C(CSCc1ccccc1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H08 compound treatment 0.255 0.0268 1.32 0.262 0.0138 0.76 1.4719 0.9651 2067894 IFLab1_004386 CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H09 compound treatment 0.252 0.0238 1.18 0.262 0.0138 0.76 1.3671 0.9775 1519008 IFLab1_004387 CCOC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H10 compound treatment 0.262 0.0338 1.67 0.26 0.0118 0.65 1.6388 0.9152 2067895 IFLab1_004388 Cc1sc2nc(SCc3cc(O)[nH]n3)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H11 compound treatment 0.239 0.0108 0.53 0.246 -0.00217 -0.12 0.2929 0.536 1503811 IFLab1_004389 Cc1nnc(NC(=O)CSC2CCCCC2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H12 compound treatment 0.263 0.0348 1.72 0.261 0.0128 0.7 1.7125 0.9223 1361283 IFLab1_004390 CN1CCN(CC1)C(c2ccccn2)c3cc(Cl)c4cccnc4c3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H13 compound treatment 0.251 0.0228 1.13 0.253 0.00483 0.26 0.9833 0.8502 2067896 IFLab1_004391 COc1cccc(/C=N/c2sc3CCCCc3c2C#N)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H14 compound treatment 0.245 0.0168 0.83 0.247 -0.00117 -0.06 0.5412 0.6504 1472459 IFLab1_004392 CC(C)NCC(O)COc1ccc2CCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H15 compound treatment 0.238 0.0098 0.48 0.259 0.0108 0.59 0.762 0.9949 1279406 IFLab1_004393 NC(=O)c1cc2ccccc2oc1=N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H16 compound treatment 0.265 0.0368 1.82 0.258 0.00983 0.54 1.666 0.879 1033666 IFLab1_004394 CN(C)c1ccc(cc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H17 compound treatment 0.254 0.0258 1.27 0.266 0.0178 0.98 1.5921 0.9914 2067897 IFLab1_004395 CCN(CC)c1ccc(/C=N/CCN2CCOCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H18 compound treatment 0.246 0.0178 0.88 0.247 -0.00117 -0.06 0.5761 0.6536 1740945 IFLab1_004396 Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c3ccccc3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H19 compound treatment 0.241 0.0128 0.63 0.249 8.28E-4 0.05 0.479 0.7559 1535475 IFLab1_004397 CC1CN(CCN1C(=O)c2ccc(C)c(C)c2)C(=O)c3ccc(C)c(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H20 compound treatment 0.245 0.0168 0.83 0.247 -0.00117 -0.06 0.5412 0.6504 1466174 IFLab1_004398 CNC1CCS(=O)(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H21 compound treatment 0.241 0.0128 0.63 0.262 0.0138 0.76 0.9831 0.9959 1472099 IFLab1_004399 Cc1ccc2cccc(OC(=O)c3ccccc3F)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H22 compound treatment 0.242 0.0138 0.68 0.248 -1.72E-4 -0.01 0.4752 0.6972 2067898 IFLab1_004400 CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H23 mock treatment 0.245 0.0168 0.83 0.245 -0.00317 -0.17 0.4636 0.547 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 H24 mock treatment 0.225 -0.0032 -0.16 0.261 0.0128 0.7 0.3856 0.5349 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I01 compound treatment 0.228 -2.0E-4 -0.01 0.248 -1.72E-4 -0.01 -0.0137 -0.9998 2067899 IFLab1_004401 Fc1ccc(cc1)S(=O)(=O)NCc2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I02 compound treatment 0.234 0.0058 0.29 0.253 0.00483 0.26 0.3897 0.9992 1173402 IFLab1_004402 NS(=O)(=O)c1ccccc1N2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I03 compound treatment 0.286 0.0578 2.85 0.292 0.0438 2.4 3.7175 0.9963 1318426 IFLab1_004403 Fc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I04 compound treatment 0.268 0.0398 1.97 0.282 0.0338 1.85 2.7012 0.9996 1258637 IFLab1_004404 OC(=O)c1ccc2NC(CSCc3ccccc3Cl)C(=O)Nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I05 compound treatment 0.249 0.0208 1.03 0.256 0.00783 0.43 1.0298 0.9251 1002849 IFLab1_004405 c1ccc(cc1)c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I06 compound treatment 0.263 0.0348 1.72 0.266 0.0178 0.98 1.9063 0.9642 1696315 IFLab1_004406 Cc1ccc(cc1Cl)n2cnc3cc(ccc23)C(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I07 compound treatment 0.242 0.0138 0.68 0.254 0.00583 0.32 0.7078 0.9404 2067900 IFLab1_004407 OC(=O)c1ccc(s1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I08 compound treatment 0.253 0.0248 1.22 0.259 0.0108 0.59 1.2858 0.9447 2067901 IFLab1_004408 COc1ccc(CNC(=O)CCSCc2ccccc2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I09 compound treatment 0.248 0.0198 0.98 0.252 0.00383 0.21 0.8398 0.8398 2067902 IFLab1_004409 O=S(=O)(Cc1ccccc1)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I10 compound treatment 0.249 0.0208 1.03 0.251 0.00283 0.16 0.8359 0.8047 1659314 IFLab1_004410 COc1ccccc1CNC(=O)c2sc3nc[nH]c(=O)c3c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I11 compound treatment 0.257 0.0288 1.42 0.257 0.00883 0.48 1.3479 0.8972 1661541 IFLab1_004411 CC1(C)CC(O)CC(C)(C)N1CC(O)COc2ccc(cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I12 compound treatment 0.26 0.0318 1.57 0.257 0.00883 0.48 1.4526 0.884 1286186 IFLab1_004412 Cc1nc2cc(ccc2n1c3ccc(F)cc3F)C(=O)NCCN4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I13 compound treatment 0.268 0.0398 1.97 0.26 0.0118 0.65 1.8483 0.8931 1223709 IFLab1_004413 COc1cccc(c1)C(=O)N2CCN(Cc3cccc4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I14 compound treatment 0.255 0.0268 1.32 0.258 0.00983 0.54 1.3168 0.9216 1647689 IFLab1_004414 O=C(Nc1nc[nH]n1)C2c3ccccc3Oc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I15 compound treatment 0.273 0.0448 2.21 0.27 0.0218 1.2 2.4106 0.9584 1685824 IFLab1_004415 CCOC(=O)c1oc2cccc(O)c2c1CN(Cc3ccccc3)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I16 compound treatment 0.257 0.0288 1.42 0.252 0.00383 0.21 1.154 0.8028 2067903 IFLab1_004416 Cc1ccc(Cn2cnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I17 compound treatment 0.272 0.0438 2.16 0.294 0.0458 2.51 3.3062 0.9972 1676733 IFLab1_004417 CC(=O)N1CCN(CC1)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I18 compound treatment 0.253 0.0248 1.22 0.258 0.00983 0.54 1.247 0.932 1219407 IFLab1_004418 OC(=O)c1c(Nc2nnc(s2)c3ccncc3)sc4CCCCc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I19 compound treatment 0.266 0.0378 1.87 0.26 0.0118 0.65 1.7785 0.9 1392974 IFLab1_004419 O=C1CCCc2c1[nH]c3ccc(cc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I20 compound treatment 0.254 0.0258 1.27 0.26 0.0118 0.65 1.3594 0.9509 1523614 IFLab1_004420 CC(=O)n1cc(c2c(O)c3ccccc3oc2=O)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I21 compound treatment 0.246 0.0178 0.88 0.253 0.00483 0.26 0.8087 0.881 1498479 IFLab1_004421 CCOC(=O)C1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I22 compound treatment 0.238 0.0098 0.48 0.253 0.00483 0.26 0.5294 0.9597 1865662 IFLab1_004422 CCOC(=O)N1CCN(CC1)S(=O)(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I23 mock treatment 0.242 0.0138 0.68 0.253 0.00483 0.26 0.669 0.9152 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 I24 mock treatment 0.233 0.0048 0.24 0.256 0.00783 0.43 0.4711 0.9608 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J01 compound treatment 0.221 -0.0072 -0.36 0.243 -0.00517 -0.28 -0.4519 -0.9937 2067904 IFLab1_004423 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J02 compound treatment 0.254 0.0258 1.27 0.252 0.00383 0.21 1.0493 0.8126 1539414 IFLab1_004424 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CN4CCCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J03 compound treatment 0.257 0.0288 1.42 0.259 0.0108 0.59 1.4254 0.9249 2067905 IFLab1_004425 CCOC(=O)c1csc(NC(=O)/C=C/c2cccs2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J04 compound treatment 0.342 0.114 5.62 0.313 0.0648 3.55 6.4871 0.9756 1510071 IFLab1_004426 Cc1ccc(OCC(O)Cn2c(CO)nc3ccccc23)c(CC=C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J05 compound treatment 0.241 0.0128 0.63 0.251 0.00283 0.16 0.5566 0.8552 1152963 IFLab1_004427 O=C(CSC1CCCCC1)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J06 compound treatment 0.264 0.0358 1.77 0.262 0.0138 0.76 1.7862 0.9286 1153478 IFLab1_004428 CC(=O)Nc1ccc(NC2SC(=O)N(C2=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J07 compound treatment 0.243 0.0148 0.73 0.253 0.00483 0.26 0.704 0.9056 1705520 IFLab1_004429 O=C(CSC1=NCCS1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J08 compound treatment 0.261 0.0328 1.62 0.263 0.0148 0.81 1.7202 0.9492 1179186 IFLab1_004430 C(N1CCN(CC1)c2ncccn2)c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J09 compound treatment 0.237 0.0088 0.43 0.249 8.28E-4 0.05 0.3394 0.7767 1167109 IFLab1_004431 Cc1ccc(NC(=O)CSC2=NCCS2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J10 compound treatment 0.266 0.0378 1.87 0.263 0.0148 0.81 1.8948 0.9306 1287571 IFLab1_004432 O=C1OCCC1Sc2nc3sc4CCCCc4c3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J11 compound treatment 0.233 0.0048 0.24 0.247 -0.00117 -0.06 0.1222 0.4974 1181391 IFLab1_004433 Cc1cc(NC(=O)CSCc2ccccc2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J12 compound treatment 0.239 0.0108 0.53 0.252 0.00383 0.21 0.5255 0.9169 1684818 IFLab1_004434 OCc1cc(=O)c(O)c(CN2CCN(CC2)c3ccccc3F)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J13 compound treatment 0.23 0.0018 0.09 0.245 -0.00317 -0.17 -0.0601 -0.3079 2067906 IFLab1_004435 CCN(CC)c1ccc(O)c(/C=N/c2ccc(cc2)S(=O)(=O)N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J14 compound treatment 0.247 0.0188 0.93 0.249 8.28E-4 0.05 0.6885 0.7408 1702055 IFLab1_004436 CCOC(=O)N1CCN(CC(O)COc2ccc3CCCc3c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J15 compound treatment 0.251 0.0228 1.13 0.257 0.00883 0.48 1.1384 0.9289 1138056 IFLab1_004437 COc1ccc(N=c2oc3ccccc3cc2C(=O)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J16 compound treatment 0.244 0.0158 0.78 0.256 0.00783 0.43 0.8552 0.9604 1508530 IFLab1_004438 Cc1csc(n1)c2c[nH]nc2c3c(O)cc(C)cc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J17 compound treatment 0.251 0.0228 1.13 0.257 0.00883 0.48 1.1384 0.9289 1032629 IFLab1_004439 COc1ccccc1NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J18 compound treatment 0.241 0.0128 0.63 0.252 0.00383 0.21 0.5953 0.8939 2067907 IFLab1_004440 COC1CCCCC1NS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J19 compound treatment 0.242 0.0138 0.68 0.248 -1.72E-4 -0.01 0.4752 0.6972 1616918 IFLab1_004441 Cc1ccc2cccc(OC(=O)c3ccc(C)c(C)c3)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J20 compound treatment 0.264 0.0358 1.77 0.272 0.0238 1.31 2.1739 0.9889 1370608 IFLab1_004442 CN1CCN(CC1)C(=O)c2ccc(o2)c3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J21 compound treatment 0.235 0.0068 0.34 0.252 0.00383 0.21 0.3858 0.9744 2067908 IFLab1_004443 CN(C)C(=S)SCN1CCCC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J22 compound treatment 0.242 0.0138 0.68 0.25 0.00183 0.1 0.5527 0.8025 2067909 IFLab1_004444 Cc1sc2ncnc(SCC(=O)c3ccc(C)cc3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J23 mock treatment 0.237 0.0088 0.43 0.248 -1.72E-4 -0.01 0.3006 0.6916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 J24 mock treatment 0.221 -0.0072 -0.36 0.255 0.00683 0.37 0.0133 0.0258 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K01 compound treatment 0.222 -0.0062 -0.31 0.246 -0.00217 -0.12 -0.3007 -0.9154 1277021 IFLab1_004445 CC(=C)CSc1nnc2c3ccccc3[nH]c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K02 compound treatment 0.244 0.0158 0.78 0.246 -0.00217 -0.12 0.4675 0.5923 2067910 IFLab1_004446 FC(F)(F)c1cccc(NC(=O)CSc2ncccc2C(=O)NCc3cccnc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K03 compound treatment 0.236 0.0078 0.39 0.25 0.00183 0.1 0.3432 0.8624 2067911 IFLab1_004447 CS(=O)(=O)/N=C(\NC#N)/c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K04 compound treatment 0.251 0.0228 1.13 0.255 0.00683 0.37 1.0608 0.8941 1409951 IFLab1_004448 CCCNC(=O)c1ccc2n(cnc2c1)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K05 compound treatment 0.253 0.0248 1.22 0.25 0.00183 0.1 0.9368 0.7624 1371388 IFLab1_004449 CCN(CC)Cc1c[nH]c2c(cccc12)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K06 compound treatment 0.246 0.0178 0.88 0.248 -1.72E-4 -0.01 0.6149 0.6995 1710118 IFLab1_004450 CCC(C)NC(=O)c1ccc2n(cnc2c1)c3cc(C)cc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K07 compound treatment 0.254 0.0258 1.27 0.257 0.00883 0.48 1.2431 0.9121 2067912 IFLab1_004451 Brc1ccc(cc1)c2nnc3SC(=C)Cn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K08 compound treatment 0.247 0.0188 0.93 0.261 0.0128 0.7 1.1538 0.9906 1154278 IFLab1_004452 Cc1c(sc2nc(C)nc(N3CCOCC3)c12)C(=O)Nc4cccc(Cl)c4C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K09 compound treatment 0.244 0.0158 0.78 0.248 -1.72E-4 -0.01 0.545 0.6985 2067913 IFLab1_004453 CC(C)Oc1ccc(cc1N)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K10 compound treatment 0.249 0.0208 1.03 0.248 -1.72E-4 -0.01 0.7196 0.7006 1302617 IFLab1_004454 Cc1c(sc2nc[nH]c(=O)c12)C(=O)N3CCN(CC3)c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K11 compound treatment 0.252 0.0238 1.18 0.251 0.00283 0.16 0.9407 0.7935 2067914 IFLab1_004455 C=CCSc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K12 compound treatment 0.257 0.0288 1.42 0.254 0.00583 0.32 1.2316 0.8449 1198483 IFLab1_004456 Cc1nc2cc(ccc2n1c3cccc(F)c3)C(=O)NCc4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K13 compound treatment 0.251 0.0228 1.13 0.246 -0.00217 -0.12 0.7119 0.6288 1328673 IFLab1_004457 COc1ccc(CN2CCN(CC2)C(=O)c3ccccc3F)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K14 compound treatment 0.247 0.0188 0.93 0.257 0.00883 0.48 0.9987 0.9539 2067915 IFLab1_004458 Cc1cc(O)nc(SCc2cn3ccccc3n2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K15 compound treatment 0.252 0.0238 1.18 0.255 0.00683 0.37 1.0958 0.8884 1293452 IFLab1_004459 Clc1ccc(CC(=O)Nc2cccc3nsnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K16 compound treatment 0.249 0.0208 1.03 0.243 -0.00517 -0.28 0.5258 0.4934 1651872 IFLab1_004460 CCOCN(C(=O)Cn1cnc2ccccc12)c3c(C)cccc3CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K17 compound treatment 0.252 0.0238 1.18 0.256 0.00783 0.43 1.1345 0.9068 1653161 IFLab1_004461 Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K18 compound treatment 0.249 0.0208 1.03 0.251 0.00283 0.16 0.8359 0.8047 1510088 IFLab1_004462 CC(C)N(C(=O)CSc1nc2ccccc2n1C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K19 compound treatment 0.281 0.0528 2.61 0.287 0.0388 2.13 3.349 0.9949 1404903 IFLab1_004463 COc1ccc(Oc2ccc3[nH]c4C(=O)CCCc4c3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K20 compound treatment 0.254 0.0258 1.27 0.263 0.0148 0.81 1.4758 0.9765 2067916 IFLab1_004464 O=C(/C=C/1\C(=O)Nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K21 compound treatment 0.239 0.0108 0.53 0.248 -1.72E-4 -0.01 0.3704 0.6945 1607380 IFLab1_004465 COc1cc2CN(C(=O)c3ccccc3)C(C)(C)Cc2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K22 compound treatment 0.247 0.0188 0.93 0.252 0.00383 0.21 0.8049 0.8456 1643121 IFLab1_004466 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K23 mock treatment 0.239 0.0108 0.53 0.25 0.00183 0.1 0.448 0.8255 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 K24 mock treatment 0.236 0.0078 0.39 0.256 0.00783 0.43 0.5758 0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L01 compound treatment 0.235 0.0068 0.34 0.248 -1.72E-4 -0.01 0.2308 0.6869 2067917 IFLab1_004467 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L02 compound treatment 0.279 0.0508 2.51 0.273 0.0248 1.36 2.7364 0.9588 1318328 IFLab1_004468 Cc1c(C)c2ccccc2n1CC(O)CNc3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L03 compound treatment 0.244 0.0158 0.78 0.253 0.00483 0.26 0.7389 0.8968 2067918 IFLab1_004469 Clc1ccc(SCC(=O)N2CCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L04 compound treatment 0.251 0.0228 1.13 0.253 0.00483 0.26 0.9833 0.8502 1416271 IFLab1_004470 Cc1ccc(OCC(O)CN2CCN(CC2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L05 compound treatment 0.244 0.0158 0.78 0.245 -0.00317 -0.17 0.4287 0.5363 1361906 IFLab1_004471 O=C(CSC1CCCCC1)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L06 compound treatment 0.281 0.0528 2.61 0.29 0.0418 2.29 3.4653 0.998 1475405 IFLab1_004472 Cc1ccc(NC2SC(=O)N(C2=O)c3ccc(C)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L07 compound treatment 0.245 0.0168 0.83 0.257 0.00883 0.48 0.9289 0.9671 1236624 IFLab1_004473 O=C(CSc1nc2ccccc2s1)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L08 compound treatment 0.255 0.0268 1.32 0.256 0.00783 0.43 1.2393 0.8908 2067919 IFLab1_004474 NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L09 compound treatment 0.249 0.0208 1.03 0.258 0.00983 0.54 1.1073 0.9547 2067920 IFLab1_004475 FC(F)(F)c1ccc(Cl)c(NC(=O)CSCc2ccco2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L10 compound treatment 0.267 0.0388 1.92 0.261 0.0128 0.7 1.8521 0.9075 1536276 IFLab1_004476 Cc1ccc(NC(c2ccc(O)cc2)P(=O)(c3ccccc3)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L11 compound treatment 0.25 0.0218 1.08 0.254 0.00583 0.32 0.9871 0.8791 1742239 IFLab1_004477 Cc1cc(NC(=O)CSC2=NCCS2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L12 compound treatment 0.25 0.0218 1.08 0.255 0.00683 0.37 1.0259 0.9001 1458992 IFLab1_004478 S=C(SCc1cn2ccccc2n1)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L13 compound treatment 0.253 0.0248 1.22 0.256 0.00783 0.43 1.1694 0.9012 2067921 IFLab1_004479 Oc1c(CC=C)cccc1/C=N/c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L14 compound treatment 0.253 0.0248 1.22 0.248 -1.72E-4 -0.01 0.8593 0.7016 1503358 IFLab1_004480 CC(NCC(O)COc1ccc2CCCc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L15 compound treatment 0.249 0.0208 1.03 0.256 0.00783 0.43 1.0298 0.9251 1382037 IFLab1_004481 NC(=O)c1cc2ccccc2oc1=NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L16 compound treatment 0.254 0.0258 1.27 0.246 -0.00217 -0.12 0.8167 0.6382 2067922 IFLab1_004482 Cc1nc(cs1)c2c(noc2c3ccc(O)cc3O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L17 compound treatment 0.274 0.0458 2.26 0.263 0.0148 0.81 2.1741 0.9046 2067923 IFLab1_004483 Oc1ccc(cc1)C(=O)OCC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L18 compound treatment 0.261 0.0328 1.62 0.26 0.0118 0.65 1.6039 0.9193 1610504 IFLab1_004484 CS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L19 compound treatment 0.255 0.0268 1.32 0.247 -0.00117 -0.06 0.8903 0.672 1180167 IFLab1_004485 Cc1ccc(cc1C)C(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L20 compound treatment 0.248 0.0198 0.98 0.249 8.28E-4 0.05 0.7235 0.7391 1407742 IFLab1_004486 O=C1CCCCCN1Sc2c(nc3sccn23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L21 compound treatment 0.249 0.0208 1.03 0.255 0.00683 0.37 0.991 0.9065 1016009 IFLab1_004487 O=C1CCCCC1CN2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L22 compound treatment 0.245 0.0168 0.83 0.253 0.00483 0.26 0.7738 0.8886 1135361 IFLab1_004488 COc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L23 mock treatment 0.246 0.0178 0.88 0.254 0.00583 0.32 0.8475 0.9061 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 L24 mock treatment 0.234 0.0058 0.29 0.253 0.00483 0.26 0.3897 0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M01 compound treatment 0.217 -0.0112 -0.55 0.238 -0.0102 -0.56 -0.7855 -1.0 1513352 IFLab1_004489 COc1ccc(cc1OC)C(=O)N2CCc3cc(OC)c(OC)cc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M02 compound treatment 0.234 0.0058 0.29 0.244 -0.00417 -0.23 0.0408 0.1112 1171272 IFLab1_004490 Fc1ccc(cc1C(=O)Nc2cccc(Cl)c2)S(=O)(=O)N3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M03 compound treatment 0.238 0.0098 0.48 0.256 0.00783 0.43 0.6457 0.9982 2067924 IFLab1_004491 CS(=O)(=O)/N=C(\N)/c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M04 compound treatment 0.244 0.0158 0.78 0.257 0.00883 0.48 0.894 0.9736 2067925 IFLab1_004492 OC(=O)c1ccc(CSCc2c(F)cccc2Cl)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M05 compound treatment 0.248 0.0198 0.98 0.244 -0.00417 -0.23 0.5296 0.5274 2067926 IFLab1_004493 NC(=O)c1ccccc1NC(=O)CSc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M06 compound treatment 0.267 0.0388 1.92 0.275 0.0268 1.47 2.3949 0.9915 1645794 IFLab1_004494 Cc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M07 compound treatment 0.238 0.0098 0.48 0.251 0.00283 0.16 0.4518 0.8891 1223484 IFLab1_004495 CC(=O)Nc1ccc2nc(N)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M08 compound treatment 0.253 0.0248 1.22 0.256 0.00783 0.43 1.1694 0.9012 1452318 IFLab1_004496 OC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M09 compound treatment 0.251 0.0228 1.13 0.26 0.0118 0.65 1.2547 0.9657 2067927 IFLab1_004497 C(Sc1nnnn1c2ccccc2)c3csc(n3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M10 compound treatment 0.245 0.0168 0.83 0.25 0.00183 0.1 0.6575 0.7868 2067928 IFLab1_004498 Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc3nc4ccc(Br)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M11 compound treatment 0.245 0.0168 0.83 0.255 0.00683 0.37 0.8513 0.9354 1006147 IFLab1_004499 CSc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M12 compound treatment 0.242 0.0138 0.68 0.255 0.00683 0.37 0.7466 0.9602 1652255 IFLab1_004500 Cc1cc(C)cc(Nc2ccc(cc2N)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M13 compound treatment 0.253 0.0248 1.22 0.251 0.00283 0.16 0.9756 0.7903 1484553 IFLab1_004501 COc1cc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M14 compound treatment 0.246 0.0178 0.88 0.25 0.00183 0.1 0.6924 0.7826 2067929 IFLab1_004502 Cc1cc(O)nc(SCc2nc3ccccn3c2Br)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M15 compound treatment 0.238 0.0098 0.48 0.245 -0.00317 -0.17 0.2192 0.4263 1315868 IFLab1_004503 O=C(N1CCCCCC1)c2cccc(c2)N3C(=O)C4CC=CCC4C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M16 compound treatment 0.244 0.0158 0.78 0.249 8.28E-4 0.05 0.5838 0.747 1328703 IFLab1_004504 CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M17 compound treatment 0.254 0.0258 1.27 0.257 0.00883 0.48 1.2431 0.9121 2067930 IFLab1_004505 CCOc1ccc(cc1)c2ncnn2c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M18 compound treatment 0.321 0.0928 4.58 0.317 0.0688 3.77 5.9089 0.9953 1126378 IFLab1_004506 COc1ccccc1Nc2nc(cs2)c3ccc(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M19 compound treatment 0.247 0.0188 0.93 0.254 0.00583 0.32 0.8824 0.8987 1729956 IFLab1_004507 CC12C3CC(C=C3)C2C(=O)N(Cc4ccccc4)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M20 compound treatment 0.262 0.0338 1.67 0.264 0.0158 0.87 1.7939 0.9536 1257229 IFLab1_004508 COc1cc2cc(O)nc(C)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M21 compound treatment 0.236 0.0078 0.39 0.25 0.00183 0.1 0.3432 0.8624 1365211 IFLab1_004509 CCOC(=O)C1CCCc2c1[nH]c3c(cccc23)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M22 compound treatment 0.251 0.0228 1.13 0.26 0.0118 0.65 1.2547 0.9657 2067931 IFLab1_004510 O=C(/C=C\c1cccs1)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M23 mock treatment 0.237 0.0088 0.43 0.252 0.00383 0.21 0.4557 0.9442 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 M24 mock treatment 0.22 -0.0082 -0.4 0.252 0.00383 0.21 -0.1379 -0.3024 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N01 compound treatment 0.215 -0.0132 -0.65 0.24 -0.00817 -0.45 -0.7778 -0.9833 1865661 IFLab1_004511 COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N02 compound treatment 0.237 0.0088 0.43 0.249 8.28E-4 0.05 0.3394 0.7767 1436371 IFLab1_004512 OC(COc1ccc(Br)cc1)Cn2nnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N03 compound treatment 0.247 0.0188 0.93 0.255 0.00683 0.37 0.9212 0.9202 1486361 IFLab1_004513 O=C(CSc1nc2ccccc2s1)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N04 compound treatment 0.249 0.0208 1.03 0.246 -0.00217 -0.12 0.6421 0.6209 1327244 IFLab1_004514 Cc1nc2ccccc2n1CC(O)COc3ccccc3CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N05 compound treatment 0.245 0.0168 0.83 0.253 0.00483 0.26 0.7738 0.8886 1271955 IFLab1_004515 O=C(CSCc1ccccc1)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N06 compound treatment 0.249 0.0208 1.03 0.254 0.00583 0.32 0.9522 0.8852 1406581 IFLab1_004516 Clc1cc(Br)c(OC(=O)N2CCOCC2)c3ncccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N07 compound treatment 0.245 0.0168 0.83 0.244 -0.00417 -0.23 0.4249 0.4937 2067932 IFLab1_004517 Clc1ccc(SCC(=O)N2CCCc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N08 compound treatment 0.25 0.0218 1.08 0.249 8.28E-4 0.05 0.7933 0.7363 1607731 IFLab1_004518 Fc1ccc(cc1)C(=O)Nc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N09 compound treatment 0.24 0.0118 0.58 0.243 -0.00517 -0.28 0.2115 0.3264 2067933 IFLab1_004519 FC(F)(F)c1ccc(Cl)c(NC(=O)CSC2=NCCS2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N10 compound treatment 0.251 0.0228 1.13 0.258 0.00983 0.54 1.1771 0.9431 3061579 IFLab1_004520 Cc1sc2sc(c(N)[n+]2c1C)c3ccccc3.OS(=O)(=O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N11 compound treatment 0.237 0.0088 0.43 0.245 -0.00317 -0.17 0.1843 0.3937 1410761 IFLab1_004521 Cc1cc(NC(=O)CSc2nc3ccccc3s2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N12 compound treatment 0.348 0.12 5.92 0.346 0.0978 5.36 7.976 0.9988 1690107 IFLab1_004522 Cc1cc(NC(c2cccc(Br)c2)c3ccc4cccnc4c3O)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N13 compound treatment 0.25 0.0218 1.08 0.26 0.0118 0.65 1.2198 0.9706 2067935 IFLab1_004523 c1ccc(cc1)c2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N14 compound treatment 0.258 0.0298 1.47 0.262 0.0138 0.76 1.5767 0.9524 1582367 IFLab1_004524 CCN(CC(O)COc1ccc(Cl)cc1Cl)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N15 compound treatment 0.253 0.0248 1.22 0.252 0.00383 0.21 1.0144 0.8164 1499530 IFLab1_004525 Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)NCCC3=CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N16 compound treatment 0.25 0.0218 1.08 0.261 0.0128 0.7 1.2585 0.9787 1019542 IFLab1_004526 c1nc(oc1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N17 compound treatment 0.254 0.0258 1.27 0.257 0.00883 0.48 1.2431 0.9121 2067936 IFLab1_004527 Oc1ccccc1C(=O)OCC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N18 compound treatment 0.244 0.0158 0.78 0.262 0.0138 0.76 1.0878 0.9999 1298704 IFLab1_004528 Cc1ccc(cc1)S(=O)(=O)Nc2cc(C)c3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N19 compound treatment 0.241 0.0128 0.63 0.246 -0.00217 -0.12 0.3627 0.5639 1376525 IFLab1_004529 COc1ccc(Br)cc1S(=O)(=O)NCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N20 compound treatment 0.243 0.0148 0.73 0.247 -0.00117 -0.06 0.4713 0.6424 2067937 IFLab1_004530 COC(=O)CCNc1ccccn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N21 compound treatment 0.242 0.0138 0.68 0.257 0.00883 0.48 0.8241 0.986 2067938 IFLab1_004531 OCN1CCCCCC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N22 compound treatment 0.241 0.0128 0.63 0.251 0.00283 0.16 0.5566 0.8552 1247227 IFLab1_004532 O=C(N1CCc2ccccc12)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N23 mock treatment 0.24 0.0118 0.58 0.249 8.28E-4 0.05 0.4441 0.7599 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 N24 mock treatment 0.22 -0.0082 -0.4 0.256 0.00783 0.43 0.0172 0.0291 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O01 compound treatment 0.209 -0.0192 -0.95 0.211 -0.0372 -2.04 -2.1116 -0.9394 1385689 IFLab1_004533 COc1ccc(cc1OC)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O02 compound treatment 0.229 8.0E-4 0.04 0.254 0.00583 0.32 0.2539 0.7885 2067939 IFLab1_004534 Cc1[nH]nc2nc(SCc3ccccc3Cl)n(c4ccc(Cl)c(C)c4)c(=N)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O03 compound treatment 0.228 -2.0E-4 -0.01 0.25 0.00183 0.1 0.0639 0.6343 2067940 IFLab1_004535 C/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O04 compound treatment 0.234 0.0058 0.29 0.248 -1.72E-4 -0.01 0.1958 0.6834 1133737 IFLab1_004536 CCCNC(=O)c1ccc2n(cnc2c1)c3cccc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O05 compound treatment 0.241 0.0128 0.63 0.253 0.00483 0.26 0.6341 0.9254 1008818 IFLab1_004537 OC(=O)c1ccccc1C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O06 compound treatment 0.245 0.0168 0.83 0.254 0.00583 0.32 0.8126 0.914 1193623 IFLab1_004538 Cc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N3CCCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O07 compound treatment 0.238 0.0098 0.48 0.25 0.00183 0.1 0.4131 0.8358 1119595 IFLab1_004539 OC(=O)C1(CC1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O08 compound treatment 0.248 0.0198 0.98 0.26 0.0118 0.65 1.1499 0.9801 1598317 IFLab1_004540 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3F)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O09 compound treatment 0.244 0.0158 0.78 0.246 -0.00217 -0.12 0.4675 0.5923 2067941 IFLab1_004541 CC(C)Cc1nc2ccccc2n1C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O10 compound treatment 0.236 0.0078 0.39 0.253 0.00483 0.26 0.4595 0.9832 1631779 IFLab1_004542 COc1ccc(NC(=O)c2oc(=O)c3ccccc3c2c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O11 compound treatment 0.238 0.0098 0.48 0.254 0.00583 0.32 0.5681 0.9797 1153827 IFLab1_004543 CCn1c(NN)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O12 compound treatment 0.256 0.0278 1.37 0.263 0.0148 0.81 1.5456 0.9687 2067942 IFLab1_004544 OCCCc1nc2cc(Cc3ccc4[nH]c(CCCO)nc4c3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O13 compound treatment 0.257 0.0288 1.42 0.248 -1.72E-4 -0.01 0.999 0.7024 1178468 IFLab1_004545 COc1cccc(CN2CCN(Cc3cccnc3)CC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O14 compound treatment 0.241 0.0128 0.63 0.243 -0.00517 -0.28 0.2464 0.3557 1354178 IFLab1_004546 CC(C)C1CCC(C)CC1OP(=O)(N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O15 compound treatment 0.249 0.0208 1.03 0.25 0.00183 0.1 0.7971 0.7724 2067943 IFLab1_004547 COC(=O)c1cn(nc1N)C(=O)c2cc(Br)ccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O16 compound treatment 0.252 0.0238 1.18 0.257 0.00883 0.48 1.1733 0.9231 2067944 IFLab1_004548 Brc1ccccc1/N=C/c2ccc(OC(=O)c3ccccn3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O17 compound treatment 0.25 0.0218 1.08 0.251 0.00283 0.16 0.8708 0.8007 2067945 IFLab1_004549 COc1ccccc1c2nc(cc(=O)o2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O18 compound treatment 0.25 0.0218 1.08 0.254 0.00583 0.32 0.9871 0.8791 1704237 IFLab1_004550 COc1ccc(C(=O)CSc2nc3ccccc3n2C)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O19 compound treatment 0.231 0.0028 0.14 0.248 -1.72E-4 -0.01 0.0911 0.6572 2067946 IFLab1_004551 CCC(C)(O)c1cn(Cc2ccccc2)nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O20 compound treatment 0.24 0.0118 0.58 0.249 8.28E-4 0.05 0.4441 0.7599 1026023 IFLab1_004552 CCCSc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O21 compound treatment 0.242 0.0138 0.68 0.248 -1.72E-4 -0.01 0.4752 0.6972 1366338 IFLab1_004553 CCOC(=O)c1c(N)c(C#N)c2CCCCCn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O22 compound treatment 0.238 0.0098 0.48 0.259 0.0108 0.59 0.762 0.9949 2067947 IFLab1_004554 Cc1ccc(cc1)c2nnc(SCC(=O)c3ccc(Cl)cc3)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O23 mock treatment 0.233 0.0048 0.24 0.253 0.00483 0.26 0.3548 0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 O24 mock treatment 0.208 -0.0202 -1.0 0.226 -0.0222 -1.22 -1.565 -0.9952 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P01 compound treatment 0.188 -0.0402 -1.99 0.192 -0.0562 -3.08 -3.5815 -0.9774 2067948 IFLab1_004555 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P02 compound treatment 0.208 -0.0202 -1.0 0.228 -0.0202 -1.11 -1.4874 -0.9987 1671185 IFLab1_004556 Cc1nccn1CC(O)COc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P03 compound treatment 0.194 -0.0342 -1.69 0.232 -0.0162 -0.89 -1.8212 -0.9548 1279371 IFLab1_004557 O=C(CSc1nc2ccccc2o1)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P04 compound treatment 0.215 -0.0132 -0.65 0.218 -0.0302 -1.65 -1.6307 -0.9171 1129329 IFLab1_004558 Cc1ccc(NCC(O)COc2ccc(OCc3ccccc3)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P05 compound treatment 0.212 -0.0162 -0.8 0.231 -0.0172 -0.94 -1.2315 -0.9967 1197141 IFLab1_004559 CCOC(=O)N1CCN(CC1)C(=O)CSc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P06 compound treatment 0.214 -0.0142 -0.7 0.232 -0.0162 -0.89 -1.1228 -0.9932 1151475 IFLab1_004560 CCN(CC)C(=O)Oc1c(I)cc(Cl)c2cccnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P07 compound treatment 0.218 -0.0102 -0.5 0.225 -0.0232 -1.27 -1.2546 -0.9179 2067949 IFLab1_004561 FC(F)(F)c1ccccc1NC(=O)CSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P08 compound treatment 0.228 -2.0E-4 -0.01 0.232 -0.0162 -0.89 -0.634 -0.7149 2067950 IFLab1_004562 FC(F)(F)C(=O)NC1(Oc2ccccc2O1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P09 compound treatment 0.225 -0.0032 -0.16 0.232 -0.0162 -0.89 -0.7387 -0.8202 1724321 IFLab1_004563 O=C(CSC1CCCCC1)Nc2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P10 compound treatment 0.249 0.0208 1.03 0.266 0.0178 0.98 1.4175 0.9997 3176314 IFLab1_004564 CSc1sc(c2NC(=O)C[n+]12)c3ccccc3.OS(=O)(=O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P11 compound treatment 0.21 -0.0182 -0.9 0.234 -0.0142 -0.78 -1.185 -0.9974 1620221 IFLab1_004565 CCOC(=O)c1c(NC(=O)C(C)Sc2ncccn2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P12 compound treatment 0.256 0.0278 1.37 0.27 0.0218 1.2 1.817 0.9977 1616233 IFLab1_004566 CC1(C)CC(CC(C)(C)N1)N2COc3c(C2)cc(Cl)c4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P13 compound treatment 0.229 8.0E-4 0.04 0.239 -0.00917 -0.5 -0.3277 -0.6496 1205710 IFLab1_004567 CCOC(=O)c1cc2cc(OC)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P14 compound treatment 0.222 -0.0062 -0.31 0.246 -0.00217 -0.12 -0.3007 -0.9154 1412296 IFLab1_004568 CC1(C)CC(O)CC(C)(C)N1CC(O)COCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P15 compound treatment 0.222 -0.0062 -0.31 0.242 -0.00617 -0.34 -0.4558 -0.9987 1440750 IFLab1_004569 CCOc1ccccc1NC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P16 compound treatment 0.235 0.0068 0.34 0.233 -0.0152 -0.83 -0.3508 -0.391 1548337 IFLab1_004570 O=S(=O)(NC1CCCCC1N2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P17 compound treatment 0.225 -0.0032 -0.16 0.243 -0.00517 -0.28 -0.3123 -0.9619 2067952 IFLab1_004571 Cc1sc2ncnc(O)c2c1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P18 compound treatment 0.224 -0.0042 -0.21 0.244 -0.00417 -0.23 -0.3084 -0.9988 1518118 IFLab1_004572 CC1=C(C(c2ccc(F)cc2)n3ncnc3N1)C(=O)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P19 compound treatment 0.228 -2.0E-4 -0.01 0.244 -0.00417 -0.23 -0.1688 -0.7369 1289630 IFLab1_004573 COc1ccc(OC)c(c1)S(=O)(=O)NCCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P20 compound treatment 0.216 -0.0122 -0.6 0.228 -0.0202 -1.11 -1.2081 -0.9592 2067953 IFLab1_004574 CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P21 compound treatment 0.212 -0.0162 -0.8 0.242 -0.00617 -0.34 -0.805 -0.9267 2067954 IFLab1_004575 CN(C)C(=S)SCN1CCCCCC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P22 compound treatment 0.205 -0.0232 -1.15 0.236 -0.0122 -0.67 -1.282 -0.9669 1384114 IFLab1_004576 Cc1ccc(cc1)c2nc3SC(CC(=O)n3n2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P23 mock treatment 0.206 -0.0222 -1.1 0.227 -0.0212 -1.16 -1.596 -0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1424 P24 mock treatment 0.186 -0.0422 -2.08 0.201 -0.0472 -2.59 -3.3024 -0.9943 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A01 compound treatment 0.193 -0.0559 -2.76 0.197 -0.0482 -2.64 -3.8218 -0.9998 1867102 IFLab1_004577 COc1ccccc1N2CCN(CC2)S(=O)(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A02 compound treatment 0.204 -0.0449 -2.22 0.207 -0.0382 -2.09 -3.05 -0.9996 2067955 IFLab1_004578 COc1cc(/C=N/S(=O)(=O)CCc2ccccc2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A03 compound treatment 0.235 -0.0139 -0.69 0.213 -0.0322 -1.77 -1.7349 -0.9156 1399613 IFLab1_004579 COc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A04 compound treatment 0.258 0.00907 0.45 0.251 0.0058 0.32 0.5415 0.986 2067956 IFLab1_004580 COc1ccc(c2n[nH]c(c2c3cnn(c3)c4ccccc4)C(F)(F)F)c(O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A05 compound treatment 0.223 -0.0259 -1.28 0.228 -0.0172 -0.94 -1.5724 -0.9887 1423467 IFLab1_004581 O=C(COc1ccccc1)Nc2sc3CCCCc3c2C(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A06 compound treatment 0.224 -0.0249 -1.23 0.233 -0.0122 -0.67 -1.3436 -0.9589 2067957 IFLab1_004582 CCc1cc2c(=O)c(Oc3ccccc3F)c(oc2c(CN(C)C)c1O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A07 compound treatment 0.233 -0.0159 -0.79 0.23 -0.0152 -0.83 -1.1457 -0.9996 1436811 IFLab1_004583 COc1ccc(Cl)cc1S(=O)(=O)NCCN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A08 compound treatment 0.238 -0.0109 -0.54 0.238 -0.0072 -0.39 -0.6609 -0.9882 1374298 IFLab1_004584 OCCCc1nc2ccccc2n1Cc3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A09 compound treatment 0.223 -0.0259 -1.28 0.225 -0.0202 -1.11 -1.6887 -0.9974 2067958 IFLab1_004585 Cc1cc(C)nc(SC(C#N)c2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A10 compound treatment 0.228 -0.0209 -1.03 0.231 -0.0142 -0.78 -1.2815 -0.9902 2067959 IFLab1_004586 OC(=O)CC1S/C(=N/c2ccccc2)/N(C1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A11 compound treatment 0.231 -0.0179 -0.89 0.234 -0.0112 -0.61 -1.0604 -0.984 2067960 IFLab1_004587 CC1=CC(=O)/C(=C/Nc2cccc(c2)C(F)(F)F)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A12 compound treatment 0.236 -0.0129 -0.64 0.235 -0.0102 -0.56 -0.8471 -0.9978 1638905 IFLab1_004588 O=C(CC1SC(=O)NC1=O)Nc2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A13 compound treatment 0.235 -0.0139 -0.69 0.228 -0.0172 -0.94 -1.1534 -0.988 2067961 IFLab1_004589 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A14 compound treatment 0.218 -0.0309 -1.53 0.215 -0.0302 -1.66 -2.251 -0.9992 1276376 IFLab1_004590 Oc1cccc2CCCN(c12)S(=O)(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A15 compound treatment 0.235 -0.0139 -0.69 0.222 -0.0232 -1.27 -1.386 -0.9584 2067962 IFLab1_004591 CCOc1ccccc1NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A16 compound treatment 0.239 -0.00993 -0.49 0.224 -0.0212 -1.16 -1.1688 -0.9264 2067963 IFLab1_004592 C=CCn1c(SCC(=O)c2ccccc2)nnc1c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A17 compound treatment 0.217 -0.0319 -1.58 0.228 -0.0172 -0.94 -1.7819 -0.9698 2067964 IFLab1_004593 O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)/SC1=S)NC3=NCCS3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A18 compound treatment 0.217 -0.0319 -1.58 0.209 -0.0362 -1.98 -2.5185 -0.9935 1275009 IFLab1_004594 OC(=O)Cc1cc(=O)oc2c1ccc3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A19 compound treatment 0.235 -0.0139 -0.69 0.23 -0.0152 -0.83 -1.0758 -0.9955 1331110 IFLab1_004595 O=C(Cc1cccs1)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A20 compound treatment 0.226 -0.0229 -1.13 0.236 -0.0092 -0.5 -1.1575 -0.9336 1565168 IFLab1_004596 Oc1ccc(CN2CCN(CC2)c3ccc(F)cc3)c4cccnc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A21 compound treatment 0.222 -0.0269 -1.33 0.215 -0.0302 -1.66 -2.1113 -0.9941 1587927 IFLab1_004597 Cc1ccc(cc1)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A22 compound treatment 0.235 -0.0139 -0.69 0.238 -0.0072 -0.39 -0.7657 -0.9652 1701435 IFLab1_004598 CCOC(=O)c1c(C)oc2c1c3CN(CCO)COc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A23 mock treatment 0.228 -0.0209 -1.03 0.222 -0.0232 -1.27 -1.6304 -0.9947 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 A24 mock treatment 0.196 -0.0529 -2.61 0.199 -0.0462 -2.53 -3.6395 -0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B01 compound treatment 0.236 -0.0129 -0.64 0.23 -0.0152 -0.83 -1.0409 -0.9914 1488289 IFLab1_004599 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B02 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 1352342 IFLab1_004600 COc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B03 compound treatment 0.255 0.00607 0.3 0.258 0.0128 0.7 0.7081 0.9279 1158402 IFLab1_004601 CC1CN(CC(C)O1)c2oc(nc2C#N)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B04 compound treatment 0.254 0.00507 0.25 0.256 0.0108 0.59 0.5956 0.9266 2067965 IFLab1_004602 OC(=O)C(CC(=O)Nc1ccccc1)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B05 compound treatment 0.308 0.0591 2.92 0.307 0.0618 3.39 4.4585 0.9972 1554471 IFLab1_004603 Clc1ccc(Nc2nc(CC(=O)NCc3ccccc3)cs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B06 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 2067966 IFLab1_004604 CC(C)NC(CC(=O)Nc1ccc(C)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B07 compound treatment 0.261 0.0121 0.6 0.266 0.0208 1.14 1.2278 0.9542 1419715 IFLab1_004605 Cn1c(=NC(=O)c2ccc(Cl)s2)sc3cc(ccc13)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B08 compound treatment 0.268 0.0191 0.94 0.269 0.0238 1.3 1.5885 0.9872 1382065 IFLab1_004606 COc1ccccc1N2CCN(CC(O)COc3c(F)cc(Br)cc3F)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B09 compound treatment 0.261 0.0121 0.6 0.262 0.0168 0.92 1.0727 0.9778 1237175 IFLab1_004607 NC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B10 compound treatment 0.256 0.00707 0.35 0.256 0.0108 0.59 0.6655 0.9682 1480977 IFLab1_004608 CC(C)C(NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B11 compound treatment 0.271 0.0221 1.09 0.267 0.0218 1.2 1.6157 0.9989 1296257 IFLab1_004609 CC1=C(C(C(=C(N1)SCC(=O)Nc2ccc(F)cc2)C#N)c3cccs3)C(=O)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B12 compound treatment 0.254 0.00507 0.25 0.254 0.0088 0.48 0.5181 0.9532 1181255 IFLab1_004610 OC(=O)CNC(=O)CC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B13 compound treatment 0.265 0.0161 0.79 0.266 0.0208 1.14 1.3674 0.9843 1500326 IFLab1_004611 CCN(CC)S(=O)(=O)c1ccc2SC(=O)c3cccc1c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B14 compound treatment 0.256 0.00707 0.35 0.256 0.0108 0.59 0.6655 0.9682 1610407 IFLab1_004612 COc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B15 compound treatment 0.254 0.00507 0.25 0.256 0.0108 0.59 0.5956 0.9266 1626661 IFLab1_004613 CCOC(Cn1c(CO)nc2ccccc12)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B16 compound treatment 0.272 0.0231 1.14 0.274 0.0288 1.58 1.922 0.9871 2067967 IFLab1_004614 O=C1C(=Cc2ccco2)C(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B17 compound treatment 0.266 0.0171 0.84 0.269 0.0238 1.3 1.5187 0.9776 2067968 IFLab1_004615 O/N=C/c1nc(c2ccccc2)n3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B18 compound treatment 0.255 0.00607 0.3 0.255 0.0098 0.54 0.5918 0.9619 1487281 IFLab1_004616 CC1(C)C2CCC1(CS(=O)(=O)N3CCN(CC3)c4ccccc4F)C(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B19 compound treatment 0.259 0.0101 0.5 0.26 0.0148 0.81 0.9253 0.9723 1388984 IFLab1_004617 CCN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B20 compound treatment 0.26 0.0111 0.55 0.259 0.0138 0.76 0.9215 0.9872 1328803 IFLab1_004618 Cc1ccc(o1)c2c3CCCCc3nc4sc(C(=O)N)c(N)c24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B21 compound treatment 0.272 0.0231 1.14 0.273 0.0278 1.52 1.8833 0.9897 2067969 IFLab1_004619 Brc1ccc(/C=C/C(=O)\C=C\c2ccc(Br)o2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B22 compound treatment 0.278 0.0291 1.44 0.251 0.0058 0.32 1.2398 0.8433 2067970 IFLab1_004620 COc1ccc(cc1)C(=O)CSc2nc(C)c(C(=O)N)c(C)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B23 mock treatment 0.255 0.00607 0.3 0.256 0.0108 0.59 0.6306 0.9502 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 B24 mock treatment 0.243 -0.00593 -0.29 0.229 -0.0162 -0.89 -0.8353 -0.893 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C01 compound treatment 0.217 -0.0319 -1.58 0.211 -0.0342 -1.88 -2.441 -0.9963 1867103 IFLab1_004621 O=S(=O)(/C=C/c1ccccc1)N2CCN(CC2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C02 compound treatment 0.245 -0.00393 -0.19 0.245 -2.0E-4 -0.01 -0.1451 -0.7458 2067971 IFLab1_004622 NC(=O)/C=C/C(=O)Nc1ccc(cc1)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C03 compound treatment 0.237 -0.0119 -0.59 0.236 -0.0092 -0.5 -0.7734 -0.997 1531823 IFLab1_004623 CN(C)C(=O)c1cc2cccc(CC=C)c2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C04 compound treatment 0.243 -0.00593 -0.29 0.244 -0.0012 -0.07 -0.2537 -0.8449 1712547 IFLab1_004624 COc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C05 compound treatment 0.265 0.0161 0.79 0.267 0.0218 1.2 1.4062 0.9802 2067972 IFLab1_004625 COc1nc(nc(Cl)c1NC(=O)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C06 compound treatment 0.239 -0.00993 -0.49 0.239 -0.0062 -0.34 -0.5872 -0.984 1139894 IFLab1_004626 CC12CS(=O)(=O)CC2SC(=S)N1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C07 compound treatment 0.238 -0.0109 -0.54 0.238 -0.0072 -0.39 -0.6609 -0.9882 2067973 IFLab1_004627 COc1cc(c(OC)cc1Br)S(=O)(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C08 compound treatment 0.25 0.00107 0.05 0.253 0.0078 0.43 0.3397 0.7882 1214357 IFLab1_004628 C(Cn1cnc2ccccc12)Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C09 compound treatment 0.25 0.00107 0.05 0.251 0.0058 0.32 0.2621 0.8131 2067974 IFLab1_004629 Cc1sc2nc(SCc3ccc(cc3)C(=O)NCCO)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C10 compound treatment 0.242 -0.00693 -0.34 0.246 8.0E-4 0.04 -0.2111 -0.6115 2067975 IFLab1_004630 Oc1ccc(/N=C/2\NC(=O)CS2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C11 compound treatment 0.238 -0.0109 -0.54 0.24 -0.0052 -0.29 -0.5834 -0.9555 1425224 IFLab1_004631 COc1ccc(cc1OC)C(=O)Oc2c(C)occc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C12 compound treatment 0.254 0.00507 0.25 0.252 0.0068 0.37 0.4406 0.9812 2067976 IFLab1_004632 O=C(Nc1ccccc1)/C=C/2\SC(=O)NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C13 compound treatment 0.246 -0.00293 -0.14 0.246 8.0E-4 0.04 -0.0714 -0.4718 2067977 IFLab1_004633 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C14 compound treatment 0.24 -0.00893 -0.44 0.243 -0.0022 -0.12 -0.3972 -0.8686 1224768 IFLab1_004634 COc1ccc(cc1)S(=O)(=O)N2CCCc3cccc(O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C15 compound treatment 0.245 -0.00393 -0.19 0.245 -2.0E-4 -0.01 -0.1451 -0.7458 2067978 IFLab1_004635 CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C16 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 1635746 IFLab1_004636 COc1ccc(cc1)N2CCN(CC(O)COc3ccccc3CC=C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C17 compound treatment 0.27 0.0211 1.04 0.267 0.0218 1.2 1.5808 0.9976 2067979 IFLab1_004637 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C18 compound treatment 0.251 0.00207 0.1 0.25 0.0048 0.26 0.2583 0.9149 2067980 IFLab1_004638 Brc1ccc(NC(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C19 compound treatment 0.243 -0.00593 -0.29 0.243 -0.0022 -0.12 -0.2925 -0.9231 1174397 IFLab1_004639 Cc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C20 compound treatment 0.237 -0.0119 -0.59 0.238 -0.0072 -0.39 -0.6958 -0.981 1196000 IFLab1_004640 Oc1ccc(CNc2ccc(Cl)cn2)c3cccnc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C21 compound treatment 0.241 -0.00793 -0.39 0.238 -0.0072 -0.39 -0.5562 -1.0 1653982 IFLab1_004641 Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C22 compound treatment 0.266 0.0171 0.84 0.266 0.0208 1.14 1.4024 0.9889 1636765 IFLab1_004642 COc1ccc(CCN2COc3c(C2)cc(Cl)c4cccnc34)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C23 mock treatment 0.24 -0.00893 -0.44 0.238 -0.0072 -0.39 -0.5911 -0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 C24 mock treatment 0.218 -0.0309 -1.53 0.232 -0.0132 -0.72 -1.5919 -0.9418 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D01 compound treatment 0.277 0.0281 1.39 0.267 0.0218 1.2 1.8252 0.9973 1670351 IFLab1_004643 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D02 compound treatment 0.248 -9.33E-4 -0.05 0.247 0.0018 0.1 0.0372 0.3415 2067981 IFLab1_004644 OC(=O)C(CC(=O)Nc1cccc(Cl)c1)NC2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D03 compound treatment 0.251 0.00207 0.1 0.253 0.0078 0.43 0.3746 0.8519 1552352 IFLab1_004645 CN1CCN(CC1)c2oc(nc2C#N)c3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D04 compound treatment 0.242 -0.00693 -0.34 0.248 0.0028 0.15 -0.1335 -0.3559 2067982 IFLab1_004646 OC(=O)C(CC(=O)Nc1ccccc1)NCCC2=CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D05 compound treatment 0.249 6.67E-5 0.0 0.251 0.0058 0.32 0.2272 0.7144 1268870 IFLab1_004647 COc1ccc(OC)c(NC(=O)CCC(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D06 compound treatment 0.246 -0.00293 -0.14 0.245 -2.0E-4 -0.01 -0.1102 -0.7585 1258179 IFLab1_004648 CC(C)c1ccccc1OCC(O)CN2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D07 compound treatment 0.251 0.00207 0.1 0.26 0.0148 0.81 0.646 0.7898 1163664 IFLab1_004649 Cn1c(=NC(=O)c2c(F)cccc2F)sc3cc(ccc13)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D08 compound treatment 0.259 0.0101 0.5 0.263 0.0178 0.98 1.0416 0.951 1213728 IFLab1_004650 COc1ccccc1N2CCN(CC(O)COc3ccccc3C(C)(C)C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D09 compound treatment 0.32 0.0711 3.51 0.321 0.0758 4.16 5.4203 0.9965 1121939 IFLab1_004651 CCOC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D10 compound treatment 0.249 6.67E-5 0.0 0.248 0.0028 0.15 0.1109 0.7221 1611471 IFLab1_004652 Cc1ccc(cc1)C2(CC3CC4CC(C3)(C2)C(=O)NCC(=O)O)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D11 compound treatment 0.283 0.0341 1.68 0.286 0.0408 2.24 2.7714 0.9901 2067983 IFLab1_004653 Brc1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D12 compound treatment 0.251 0.00207 0.1 0.249 0.0038 0.21 0.2195 0.9461 1193720 IFLab1_004654 CC(C)C(NC(=O)CC1(CC2CC3CC(C2)C1)C3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D13 compound treatment 0.251 0.00207 0.1 0.259 0.0138 0.76 0.6072 0.7953 1133429 IFLab1_004655 OC(=O)c1cccc(c1)S(=O)(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D14 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 1425263 IFLab1_004656 COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D15 compound treatment 0.247 -0.00193 -0.1 0.249 0.0038 0.21 0.0798 0.3483 1701281 IFLab1_004657 CCOC(Cn1c(nc2ccccc12)C(C)O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D16 compound treatment 0.26 0.0111 0.55 0.259 0.0138 0.76 0.9215 0.9872 2067984 IFLab1_004658 Cc1sc2nc(SCc3nnc(Nc4ccccc4)s3)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D17 compound treatment 0.341 0.0921 4.55 0.388 0.143 7.83 8.7512 0.9666 2067985 IFLab1_004659 OC(=O)/C=C/c1nc(c2ccccc2)n3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D18 compound treatment 0.25 0.00107 0.05 0.25 0.0048 0.26 0.2233 0.8321 2067986 IFLab1_004660 Cc1cc(C)n(n1)c2nc(nc3ccccc23)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D19 compound treatment 0.251 0.00207 0.1 0.254 0.0088 0.48 0.4133 0.8381 1243310 IFLab1_004661 Cc1[nH]c2ccccc2c1C(N3CCC(CC3)C(=O)N)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D20 compound treatment 0.286 0.0371 1.83 0.287 0.0418 2.29 2.9149 0.9938 2067987 IFLab1_004662 Brc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D21 compound treatment 0.274 0.0251 1.24 0.264 0.0188 1.03 1.6042 0.9959 1610342 IFLab1_004663 Oc1cc(c2ccc(Cl)cc2Cl)c3oc(=O)sc3c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D22 compound treatment 0.247 -0.00193 -0.1 0.246 8.0E-4 0.04 -0.0365 -0.3473 1672509 IFLab1_004664 O=C(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccco3)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D23 mock treatment 0.247 -0.00193 -0.1 0.248 0.0028 0.15 0.041 0.2271 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 D24 mock treatment 0.241 -0.00793 -0.39 0.244 -0.0012 -0.07 -0.3235 -0.8145 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E01 compound treatment 0.248 -9.33E-4 -0.05 0.249 0.0038 0.21 0.1147 0.5377 1328309 IFLab1_004665 CCCOC(=O)c1cccc(NC(=O)C2(CCC3(C)C(=O)O2)C3(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E02 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 1419652 IFLab1_004666 O=S(=O)(N1CCCc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E03 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 1629177 IFLab1_004667 OC(=O)c1ccccc1C(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E04 compound treatment 0.256 0.00707 0.35 0.256 0.0108 0.59 0.6655 0.9682 1206695 IFLab1_004668 CN(C)Cc1c(O)ccc2c(=O)c(c3cnn(c3)c4ccccc4)c(C)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E05 compound treatment 0.243 -0.00593 -0.29 0.246 8.0E-4 0.04 -0.1762 -0.5946 1574212 IFLab1_004669 CCOc1ccc(cc1)S(=O)(=O)NCc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E06 compound treatment 0.252 0.00307 0.15 0.253 0.0078 0.43 0.4095 0.9026 2067988 IFLab1_004670 CCN(CC)C(=S)SC1=C(Cl)CS(=O)(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E07 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 1143921 IFLab1_004671 COc1cc(c(OC)cc1Br)S(=O)(=O)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E08 compound treatment 0.266 0.0171 0.84 0.27 0.0248 1.36 1.5574 0.9735 2067989 IFLab1_004672 CCc1nc2ccccc2n1CCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E09 compound treatment 0.267 0.0181 0.89 0.26 0.0148 0.81 1.2047 0.9989 2067990 IFLab1_004673 CCOC(=O)CSc1nc(N)c2c3CCCc3sc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E10 compound treatment 0.328 0.0791 3.9 0.316 0.0708 3.88 5.5058 1.0 2067991 IFLab1_004674 OC(=O)CCCN1C(=O)S/C(=C\C=C\c2ccccc2)/C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E11 compound treatment 0.259 0.0101 0.5 0.254 0.0088 0.48 0.6927 0.9999 1052339 IFLab1_004675 OCc1cc(=O)c(O)c(CN2CCOCC2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E12 compound treatment 0.26 0.0111 0.55 0.263 0.0178 0.98 1.0765 0.9624 2067992 IFLab1_004676 O=C(Nc1nccs1)/C=C/2\SC(=O)NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E13 compound treatment 0.252 0.00307 0.15 0.26 0.0148 0.81 0.6809 0.8248 2067993 IFLab1_004677 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E14 compound treatment 0.25 0.00107 0.05 0.251 0.0058 0.32 0.2621 0.8131 2067994 IFLab1_004678 CC1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E15 compound treatment 0.293 0.0441 2.18 0.286 0.0408 2.24 3.1206 0.9999 2067995 IFLab1_004679 FC(F)(F)c1ccccc1NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E16 compound treatment 0.259 0.0101 0.5 0.257 0.0118 0.65 0.809 0.9915 1224542 IFLab1_004680 COc1ccc(cc1)N2CCN(CC(O)COC3C(C)(C)C4CCC3(C)C4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E17 compound treatment 0.27 0.0211 1.04 0.274 0.0288 1.58 1.8522 0.9795 2067996 IFLab1_004681 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E18 compound treatment 0.257 0.00807 0.4 0.261 0.0158 0.87 0.8942 0.9379 1047188 IFLab1_004682 Clc1ccc(cc1Cl)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E19 compound treatment 0.248 -9.33E-4 -0.05 0.249 0.0038 0.21 0.1147 0.5377 2067997 IFLab1_004683 O=C(Nc1ccc(cc1)N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E20 compound treatment 0.294 0.0451 2.23 0.299 0.0538 2.95 3.6595 0.9903 1132054 IFLab1_004684 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC4CC(C)(C)NC(C)(C)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E21 compound treatment 0.264 0.0151 0.74 0.263 0.0178 0.98 1.2162 0.991 2067998 IFLab1_004685 [O-]/[N+](=C\c1ccc(F)cc1)/c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E22 compound treatment 0.254 0.00507 0.25 0.255 0.0098 0.54 0.5569 0.9395 1283697 IFLab1_004686 Clc1cc2CN(COc2c3ncccc13)C4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E23 mock treatment 0.247 -0.00193 -0.1 0.247 0.0018 0.1 0.0023 0.0166 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 E24 mock treatment 0.251 0.00207 0.1 0.236 -0.0092 -0.5 -0.2845 -0.5528 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F01 compound treatment 0.265 0.0161 0.79 0.264 0.0188 1.03 1.2899 0.9916 1370382 IFLab1_004687 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F02 compound treatment 0.254 0.00507 0.25 0.257 0.0118 0.65 0.6344 0.9146 2067999 IFLab1_004688 OC(=O)C(CC(=O)Nc1cccc(Cl)c1Cl)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F03 compound treatment 0.29 0.0411 2.03 0.291 0.0458 2.51 3.2097 0.9944 1125272 IFLab1_004689 Fc1ccccc1c2nc(C#N)c(NC3CCCCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F04 compound treatment 0.25 0.00107 0.05 0.254 0.0088 0.48 0.3784 0.7797 2068000 IFLab1_004690 OC(=O)C(CC(=O)Nc1ccccc1)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F05 compound treatment 0.253 0.00407 0.2 0.26 0.0148 0.81 0.7158 0.8563 2068001 IFLab1_004691 C=CC/N=C/1\SCC(=O)N1S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F06 compound treatment 0.254 0.00507 0.25 0.25 0.0048 0.26 0.363 0.9997 1514657 IFLab1_004692 CC(C)c1ccccc1OCC(O)CN2CC(C)OC(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F07 compound treatment 0.26 0.0111 0.55 0.261 0.0158 0.87 0.999 0.9753 2068002 IFLab1_004693 COc1ccc(Cl)cc1NC(=O)/C(=C\C(=O)O)/C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F08 compound treatment 0.282 0.0331 1.63 0.271 0.0258 1.41 2.1549 0.9974 1639934 IFLab1_004694 CCCc1cc(NCCN(C)C)n2c3ccccc3nc2c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F09 compound treatment 0.259 0.0101 0.5 0.258 0.0128 0.7 0.8478 0.9857 1413907 IFLab1_004695 CCOC(=O)c1sc2nc3CCCC(=O)c3cc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F10 compound treatment 0.26 0.0111 0.55 0.262 0.0168 0.92 1.0378 0.9689 1594347 IFLab1_004696 Cc1ccc(cc1)C(=O)NCC(=O)NC2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F11 compound treatment 0.302 0.0531 2.62 0.284 0.0388 2.13 3.3573 0.9946 2068003 IFLab1_004697 Fc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F12 compound treatment 0.25 0.00107 0.05 0.258 0.0128 0.7 0.5335 0.758 1173735 IFLab1_004698 Cc1ccc(c(C)c1C)S(=O)(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F13 compound treatment 0.261 0.0121 0.6 0.267 0.0218 1.2 1.2665 0.9483 1200595 IFLab1_004699 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F14 compound treatment 0.253 0.00407 0.2 0.254 0.0088 0.48 0.4832 0.9245 1675115 IFLab1_004700 COc1c(Cl)c(Cl)ccc1S(=O)(=O)n2cnc(C)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F15 compound treatment 0.248 -9.33E-4 -0.05 0.248 0.0028 0.15 0.076 0.4739 1471952 IFLab1_004701 CCOC(Cn1c(COc2ccccc2)nc3ccccc13)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F16 compound treatment 0.263 0.0141 0.69 0.261 0.0158 0.87 1.1038 0.994 1263925 IFLab1_004702 Cc1sc2ncnc(Nc3ccc(F)cc3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F17 compound treatment 0.266 0.0171 0.84 0.267 0.0218 1.2 1.4411 0.9854 1451270 IFLab1_004703 OC(c1cccs1)c2nccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F18 compound treatment 0.262 0.0131 0.65 0.267 0.0218 1.2 1.3015 0.9581 1321579 IFLab1_004704 Cc1noc(C)c1COc2ccc3ccc(=O)oc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F19 compound treatment 0.26 0.0111 0.55 0.263 0.0178 0.98 1.0765 0.9624 2068004 IFLab1_004705 CC1=CC(=O)/C(=C/Nc2cccc(F)c2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F20 compound treatment 0.261 0.0121 0.6 0.262 0.0168 0.92 1.0727 0.9778 1509495 IFLab1_004706 Cc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F21 compound treatment 0.282 0.0331 1.63 0.257 0.0118 0.65 1.6121 0.9179 1124052 IFLab1_004707 Oc1cc(c2ccc(F)cc2)c3oc(=O)sc3c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F22 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 1692546 IFLab1_004708 CCc1ccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F23 mock treatment 0.256 0.00707 0.35 0.258 0.0128 0.7 0.743 0.948 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 F24 mock treatment 0.253 0.00407 0.2 0.248 0.0028 0.15 0.2506 0.9912 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G01 compound treatment 0.247 -0.00193 -0.1 0.235 -0.0102 -0.56 -0.463 -0.816 1683742 IFLab1_004709 Cc1cc(C)nc(SCC(CSc2nc(C)cc(C)n2)C(=O)O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G02 compound treatment 0.253 0.00407 0.2 0.255 0.0098 0.54 0.522 0.9099 2068005 IFLab1_004710 COc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G03 compound treatment 0.266 0.0171 0.84 0.277 0.0318 1.74 1.8288 0.9444 2068006 IFLab1_004711 FC(F)(F)C(=C(C#N)C#N)Nc1ccccn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G04 compound treatment 0.257 0.00807 0.4 0.256 0.0108 0.59 0.7004 0.9814 1718602 IFLab1_004712 CN(C)Cc1cc2c(=O)c(c3cnn(c3)c4ccccc4)c(C)oc2c(C)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G05 compound treatment 0.237 -0.0119 -0.59 0.239 -0.0062 -0.34 -0.6571 -0.9658 1612106 IFLab1_004713 Clc1ccc(Cl)c(c1)S(=O)(=O)NCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G06 compound treatment 0.254 0.00507 0.25 0.256 0.0108 0.59 0.5956 0.9266 1212778 IFLab1_004714 COc1ccccc1NC2CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G07 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 1321934 IFLab1_004715 COc1cccc2cc(C(=O)N3CCN(CC3)c4ccccc4)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G08 compound treatment 0.258 0.00907 0.45 0.261 0.0158 0.87 0.9292 0.9528 1724423 IFLab1_004716 CC(O)c1nc2ccccc2n1CCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G09 compound treatment 0.253 0.00407 0.2 0.253 0.0078 0.43 0.4444 0.9406 1579401 IFLab1_004717 COc1ccc(cc1)C(=O)N2CCN(CCn3c(C)ccc3C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G10 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 2068007 IFLab1_004718 OC(=O)/C=C/1\SC(=O)NC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G11 compound treatment 0.242 -0.00693 -0.34 0.253 0.0078 0.43 0.0603 0.1101 2068008 IFLab1_004719 Cc1cccnc1N/C=C/2\C(=O)Oc3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G12 compound treatment 0.265 0.0161 0.79 0.265 0.0198 1.09 1.3287 0.9881 1297968 IFLab1_004720 CC(C)Cn1c(NN)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G13 compound treatment 0.257 0.00807 0.4 0.263 0.0178 0.98 0.9718 0.9219 2068009 IFLab1_004721 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G14 compound treatment 0.248 -9.33E-4 -0.05 0.253 0.0078 0.43 0.2698 0.6273 1641682 IFLab1_004722 Clc1ccc(s1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(Cl)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G15 compound treatment 0.362 0.113 5.58 0.358 0.113 6.18 8.3214 0.9987 2068010 IFLab1_004723 Clc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G16 compound treatment 0.271 0.0221 1.09 0.274 0.0288 1.58 1.8871 0.9836 1648540 IFLab1_004724 CC1(C)C(OCC(O)CN2CCN(CC2)c3cccc(Cl)c3)C4(C)CCC1C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G17 compound treatment 0.275 0.0261 1.29 0.271 0.0258 1.41 1.9105 0.9989 2068011 IFLab1_004725 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G18 compound treatment 0.261 0.0121 0.6 0.26 0.0148 0.81 0.9951 0.9885 1337253 IFLab1_004726 CN(CC(O)COCc1ccc2OCOc2c1)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G19 compound treatment 0.246 -0.00293 -0.14 0.247 0.0018 0.1 -0.0326 -0.1862 2068012 IFLab1_004727 Cc1ccccc1/[N+](=C/c2ccncc2)/[O-] 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G20 compound treatment 0.254 0.00507 0.25 0.257 0.0118 0.65 0.6344 0.9146 1648175 IFLab1_004728 CCOC(=O)c1c(C)oc2c1c(CN3CCN(C)CC3)c(O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G21 compound treatment 0.264 0.0151 0.74 0.265 0.0198 1.09 1.2938 0.983 2068013 IFLab1_004729 FC(F)(F)c1cccc(c1)N2C(=O)CC(Nc3ccc(cc3)N4CCOCC4)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G22 compound treatment 0.264 0.0151 0.74 0.27 0.0248 1.36 1.4876 0.9597 1271328 IFLab1_004730 Clc1cc2CN(CCCN3CCOCC3)COc2c4ncccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G23 mock treatment 0.251 0.00207 0.1 0.245 -2.0E-4 -0.01 0.0644 0.6275 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 G24 mock treatment 0.249 6.67E-5 0.0 0.229 -0.0162 -0.89 -0.6258 -0.7045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H01 compound treatment 0.272 0.0231 1.14 0.259 0.0138 0.76 1.3405 0.9803 1679577 IFLab1_004731 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N4CC(C)OC(C)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H02 compound treatment 0.245 -0.00393 -0.19 0.251 0.0058 0.32 0.0875 0.2349 2068014 IFLab1_004732 NC(CC(=O)Nc1ccc(Cl)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H03 compound treatment 0.255 0.00607 0.3 0.248 0.0028 0.15 0.3204 0.9518 1204754 IFLab1_004733 COc1ccc(cc1)c2nc(C#N)c(o2)N3CC(C)OC(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H04 compound treatment 0.248 -9.33E-4 -0.05 0.254 0.0088 0.48 0.3086 0.6367 2068015 IFLab1_004734 OC(=O)C(CC(=O)Nc1ccccc1)NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H05 compound treatment 0.267 0.0181 0.89 0.26 0.0148 0.81 1.2047 0.9989 1574049 IFLab1_004735 OCCNC(=O)c1ccc(CSc2nc3sc4CCCc4c3c(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H06 compound treatment 0.24 -0.00893 -0.44 0.243 -0.0022 -0.12 -0.3972 -0.8686 1471476 IFLab1_004736 CC(C)c1ccccc1OCC(O)CN(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H07 compound treatment 0.255 0.00607 0.3 0.275 0.0298 1.63 1.3672 0.823 1313936 IFLab1_004737 COc1ccc2oc(=Nc3ccccc3)c(cc2c1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H08 compound treatment 0.256 0.00707 0.35 0.251 0.0058 0.32 0.4716 0.9989 1627175 IFLab1_004738 C1CCN(C1)c2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H09 compound treatment 0.253 0.00407 0.2 0.251 0.0058 0.32 0.3669 0.9754 1702530 IFLab1_004739 CC1(C)CC(=O)c2cc(C#N)c(SCC=C)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H10 compound treatment 0.253 0.00407 0.2 0.253 0.0078 0.43 0.4444 0.9406 1411984 IFLab1_004740 CC(NC(=O)c1ccc(C)cc1)C(=O)NC2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H11 compound treatment 0.249 6.67E-5 0.0 0.248 0.0028 0.15 0.1109 0.7221 2068016 IFLab1_004741 Fc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H12 compound treatment 0.242 -0.00693 -0.34 0.24 -0.0052 -0.29 -0.4437 -0.9959 1535363 IFLab1_004742 COc1ccc(OC)c(c1)S(=O)(=O)NC2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H13 compound treatment 0.264 0.0151 0.74 0.255 0.0098 0.54 0.906 0.9872 1417274 IFLab1_004743 O=C(Oc1ccc2ccc(=O)oc2c1)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H14 compound treatment 0.251 0.00207 0.1 0.251 0.0058 0.32 0.297 0.8894 1295540 IFLab1_004744 Brc1ccc2oc(=O)c(cc2c1)C(=O)OCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H15 compound treatment 0.251 0.00207 0.1 0.253 0.0078 0.43 0.3746 0.8519 1312039 IFLab1_004745 CCCCn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H16 compound treatment 0.248 -9.33E-4 -0.05 0.252 0.0068 0.37 0.231 0.615 1285134 IFLab1_004746 Cc1sc2ncnc(Nc3ccc4OCOc4c3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H17 compound treatment 0.259 0.0101 0.5 0.256 0.0108 0.59 0.7702 0.9962 2068017 IFLab1_004747 CCOC(=O)c1ccc(N/C=C\2/C(=O)OC(=CC2=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H18 compound treatment 0.264 0.0151 0.74 0.262 0.0168 0.92 1.1774 0.9944 1237999 IFLab1_004748 COC(=O)c1c(NC(=O)CCN2CCC(C)CC2)scc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H19 compound treatment 0.248 -9.33E-4 -0.05 0.252 0.0068 0.37 0.231 0.615 2068018 IFLab1_004749 CC1=CC(=O)/C(=C/Nc2ccccc2Br)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H20 compound treatment 0.273 0.0241 1.19 0.281 0.0358 1.96 2.2283 0.9711 1271820 IFLab1_004750 CCc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H21 compound treatment 0.249 6.67E-5 0.0 0.248 0.0028 0.15 0.1109 0.7221 2068019 IFLab1_004751 Cc1ccc(cc1)C(=O)CC(c2cccs2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H22 compound treatment 0.249 6.67E-5 0.0 0.25 0.0048 0.26 0.1884 0.7159 1429648 IFLab1_004752 COc1ccc(cc1OC)C2C(=C(NC(=C2C(=O)Nc3ccccc3C)C)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H23 mock treatment 0.256 0.00707 0.35 0.253 0.0078 0.43 0.5492 0.9949 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 H24 mock treatment 0.258 0.00907 0.45 0.259 0.0138 0.76 0.8516 0.9686 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I01 compound treatment 0.251 0.00207 0.1 0.245 -2.0E-4 -0.01 0.0644 0.6275 1523731 IFLab1_004753 CC1(CC2C(C(=O)NCC=C)C(=O)N1)Oc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I02 compound treatment 0.271 0.0221 1.09 0.287 0.0418 2.29 2.3911 0.9422 1479951 IFLab1_004754 O=C(CC1Sc2ccccc2NC1=O)Nc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I03 compound treatment 0.253 0.00407 0.2 0.251 0.0058 0.32 0.3669 0.9754 1480556 IFLab1_004755 CCCOC1(NC(=O)c2ccc(C)cc2)C(=CC(=O)C=C1C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I04 compound treatment 0.259 0.0101 0.5 0.256 0.0108 0.59 0.7702 0.9962 1218950 IFLab1_004756 CN(C)Cc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(C)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I05 compound treatment 0.249 6.67E-5 0.0 0.25 0.0048 0.26 0.1884 0.7159 1403868 IFLab1_004757 COc1cc(ccc1Cl)S(=O)(=O)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I06 compound treatment 0.296 0.0471 2.32 0.298 0.0528 2.9 3.6906 0.9941 2068020 IFLab1_004758 O=S1(=O)CC2SC(=S)N(Cc3ccccc3)C2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I07 compound treatment 0.311 0.0621 3.06 0.291 0.0458 2.51 3.9429 0.9951 2068021 IFLab1_004759 CCc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I08 compound treatment 0.265 0.0161 0.79 0.265 0.0198 1.09 1.3287 0.9881 2068022 IFLab1_004760 OCCCc1nc2ccccc2n1CCCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I09 compound treatment 0.258 0.00907 0.45 0.259 0.0138 0.76 0.8516 0.9686 1686056 IFLab1_004761 Cc1oc2c(cc(O)c3ccccc23)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I10 compound treatment 0.327 0.0781 3.86 0.318 0.0728 3.99 5.5484 0.9998 2068023 IFLab1_004762 Oc1cccc(NC(=O)CCCN2C(=O)S/C(=C\C=C\c3ccccc3)/C2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I11 compound treatment 0.252 0.00307 0.15 0.256 0.0108 0.59 0.5258 0.8603 1293366 IFLab1_004763 Cc1cc2cc(NC(=O)c3ccco3)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I12 compound treatment 0.253 0.00407 0.2 0.255 0.0098 0.54 0.522 0.9099 1729635 IFLab1_004764 CCOC(Cn1c(C)nc2ccccc12)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I13 compound treatment 0.261 0.0121 0.6 0.26 0.0148 0.81 0.9951 0.9885 2068024 IFLab1_004765 O=C(CN1C(=O)/C(=C\c2cccs2)/SC1=S)N(Cc3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I14 compound treatment 0.255 0.00607 0.3 0.256 0.0108 0.59 0.6306 0.9502 1279880 IFLab1_004766 CC1CCc2ccccc2N1S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I15 compound treatment 0.364 0.115 5.68 0.354 0.109 5.97 8.2361 0.9997 2068025 IFLab1_004767 O=C(CCCN1C(=O)/C(=C\c2ccco2)/SC1=S)Nc3ccc4ccccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I16 compound treatment 0.265 0.0161 0.79 0.266 0.0208 1.14 1.3674 0.9843 1609431 IFLab1_004768 CC1CC(CC(C)(C)C1)OCC(O)CN2CCN(CC2)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I17 compound treatment 0.3 0.0511 2.52 0.293 0.0478 2.62 3.6364 0.9998 2068026 IFLab1_004769 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I18 compound treatment 0.251 0.00207 0.1 0.257 0.0118 0.65 0.5297 0.8086 1577195 IFLab1_004770 CN(CC(O)COCC1COc2ccccc2O1)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I19 compound treatment 0.245 -0.00393 -0.19 0.247 0.0018 0.1 -0.0676 -0.3101 2068027 IFLab1_004771 CC1=CC(=O)N(CCC#N)c2ccccc2N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I20 compound treatment 0.259 0.0101 0.5 0.257 0.0118 0.65 0.809 0.9915 2068028 IFLab1_004772 CCOC(=O)c1c(C)oc-2c1/C(=C/NCc3ccccn3)/C(=O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I21 compound treatment 0.264 0.0151 0.74 0.264 0.0188 1.03 1.255 0.9872 2068029 IFLab1_004773 COc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I22 compound treatment 0.258 0.00907 0.45 0.266 0.0208 1.14 1.123 0.9166 1446470 IFLab1_004774 CN1CCN(Cc2c(c(C)c3ccccn23)c4ccccc4)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I23 mock treatment 0.254 0.00507 0.25 0.253 0.0078 0.43 0.4793 0.9674 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 I24 mock treatment 0.261 0.0121 0.6 0.254 0.0088 0.48 0.7625 0.9945 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J01 compound treatment 0.283 0.0341 1.68 0.277 0.0318 1.74 2.4224 0.9998 1614018 IFLab1_004775 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N4CCN(CC)CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J02 compound treatment 0.242 -0.00693 -0.34 0.244 -0.0012 -0.07 -0.2886 -0.8278 2068030 IFLab1_004776 OC(=O)C(CC(=O)Nc1ccc(Cl)cc1)NCCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J03 compound treatment 0.25 0.00107 0.05 0.249 0.0038 0.21 0.1846 0.8588 1372168 IFLab1_004777 Clc1ccccc1c2nc(C#N)c(o2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J04 compound treatment 0.25 0.00107 0.05 0.25 0.0048 0.26 0.2233 0.8321 2068031 IFLab1_004778 COc1ccccc1NC(=O)CC(NCc2ccccc2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J05 compound treatment 0.253 0.00407 0.2 0.254 0.0088 0.48 0.4832 0.9245 1639457 IFLab1_004779 CC(=O)N=c1sc2cc(ccc2n1C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J06 compound treatment 0.246 -0.00293 -0.14 0.245 -2.0E-4 -0.01 -0.1102 -0.7585 1391862 IFLab1_004780 CC(C)c1ccccc1OCC(O)CN2C(C)(C)CC(O)CC2(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J07 compound treatment 0.253 0.00407 0.2 0.256 0.0108 0.59 0.5607 0.8967 1459734 IFLab1_004781 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J08 compound treatment 0.259 0.0101 0.5 0.259 0.0138 0.76 0.8865 0.9792 1593253 IFLab1_004782 CN(C)CCN1C(C(=C(O)C1=O)C(=O)c2ccc(Cl)cc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J09 compound treatment 0.26 0.0111 0.55 0.261 0.0158 0.87 0.999 0.9753 1514613 IFLab1_004783 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J10 compound treatment 0.246 -0.00293 -0.14 0.251 0.0058 0.32 0.1224 0.3504 1203559 IFLab1_004784 CC(C)CC(NC(=O)c1ccc(C)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J11 compound treatment 0.307 0.0581 2.87 0.297 0.0518 2.84 4.0359 1.0 1691430 IFLab1_004785 Cc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J12 compound treatment 0.241 -0.00793 -0.39 0.241 -0.0042 -0.23 -0.4399 -0.9679 1466915 IFLab1_004786 COc1ccc(Cl)cc1S(=O)(=O)NC2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J13 compound treatment 0.245 -0.00393 -0.19 0.247 0.0018 0.1 -0.0676 -0.3101 1660049 IFLab1_004787 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J14 compound treatment 0.248 -9.33E-4 -0.05 0.247 0.0018 0.1 0.0372 0.3415 1635047 IFLab1_004788 CC1CN(CC(C)O1)C(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J15 compound treatment 0.25 0.00107 0.05 0.252 0.0068 0.37 0.3009 0.7991 1277840 IFLab1_004789 O=C1CC(CN1c2ccccc2)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J16 compound treatment 0.251 0.00207 0.1 0.252 0.0068 0.37 0.3358 0.8687 2068032 IFLab1_004790 COC(=O)c1c(NC(=O)CCN2CC(C)OC(C)C2)scc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J17 compound treatment 0.26 0.0111 0.55 0.26 0.0148 0.81 0.9602 0.9815 1548974 IFLab1_004791 COc1ccc(NC(c2c(C)[nH]c3ccccc23)c4ccccn4)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J18 compound treatment 0.253 0.00407 0.2 0.25 0.0048 0.26 0.3281 0.9911 1259190 IFLab1_004792 OCCNc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J19 compound treatment 0.251 0.00207 0.1 0.257 0.0118 0.65 0.5297 0.8086 2068033 IFLab1_004793 CC1=CC(=O)/C(=C/Nc2ccc(C)cc2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J20 compound treatment 0.26 0.0111 0.55 0.283 0.0378 2.07 1.8519 0.864 2068034 IFLab1_004794 Clc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J21 compound treatment 0.27 0.0211 1.04 0.286 0.0408 2.24 2.3174 0.9393 2068035 IFLab1_004795 Cc1ccc(cc1)c2ccc(/C=N/n3cnnc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J22 compound treatment 0.245 -0.00393 -0.19 0.246 8.0E-4 0.04 -0.1063 -0.534 1272038 IFLab1_004796 Cc1cccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccccc4C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J23 mock treatment 0.248 -9.33E-4 -0.05 0.25 0.0048 0.26 0.1535 0.5745 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 J24 mock treatment 0.254 0.00507 0.25 0.254 0.0088 0.48 0.5181 0.9532 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K01 compound treatment 0.248 -9.33E-4 -0.05 0.232 -0.0132 -0.72 -0.5444 -0.7506 1731947 IFLab1_004797 O=C(N1CC(=O)Nc2ccccc12)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K02 compound treatment 0.255 0.00607 0.3 0.252 0.0068 0.37 0.4755 0.9941 1219728 IFLab1_004798 COC(=O)c1c(NC(=O)CC2Sc3ccccc3NC2=O)sc4CCCCc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K03 compound treatment 0.249 6.67E-5 0.0 0.25 0.0048 0.26 0.1884 0.7159 1253240 IFLab1_004799 Cc1cc(NC(=O)Cc2ccccc2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K04 compound treatment 0.252 0.00307 0.15 0.254 0.0088 0.48 0.4483 0.8864 1392397 IFLab1_004800 CCc1cc2c(=O)c(c3cnn(c3)c4ccccc4)c(C)oc2cc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K05 compound treatment 0.243 -0.00593 -0.29 0.244 -0.0012 -0.07 -0.2537 -0.8449 1412463 IFLab1_004801 COc1cc(ccc1Cl)S(=O)(=O)NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K06 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 2068036 IFLab1_004802 COC(=O)C(C1CCS(=O)(=O)C1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K07 compound treatment 0.273 0.0241 1.19 0.283 0.0378 2.07 2.3059 0.9652 1599104 IFLab1_004803 Oc1ccccc1c2csc(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K08 compound treatment 0.256 0.00707 0.35 0.256 0.0108 0.59 0.6655 0.9682 2068037 IFLab1_004804 OCc1nc2ccccc2n1CCCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K09 compound treatment 0.253 0.00407 0.2 0.254 0.0088 0.48 0.4832 0.9245 2068038 IFLab1_004805 CC1=CC(=O)/C(=C/Nc2ccccn2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K10 compound treatment 0.314 0.0651 3.21 0.299 0.0538 2.95 4.3578 0.9991 2068039 IFLab1_004806 Oc1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)/C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K11 compound treatment 0.264 0.0151 0.74 0.259 0.0138 0.76 1.0611 1.0 1342138 IFLab1_004807 CC1CN(Cc2oc(CO)cc(=O)c2O)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K12 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 2068040 IFLab1_004808 CC(=C)Cn1c(nc2ccccc12)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K13 compound treatment 0.267 0.0181 0.89 0.266 0.0208 1.14 1.4373 0.9926 2068041 IFLab1_004809 COc1ccccc1NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K14 compound treatment 0.25 0.00107 0.05 0.255 0.0098 0.54 0.4172 0.7727 1596879 IFLab1_004810 O=S(=O)(NCCN1CCOCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K15 compound treatment 0.276 0.0271 1.34 0.275 0.0298 1.63 2.1005 0.995 2068042 IFLab1_004811 Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K16 compound treatment 0.254 0.00507 0.25 0.251 0.0058 0.32 0.4018 0.993 1177055 IFLab1_004812 COc1ccc(OCC(O)Cn2cnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K17 compound treatment 0.263 0.0141 0.69 0.259 0.0138 0.76 1.0262 0.9991 2068043 IFLab1_004813 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CC(=O)N3CCN(CC3)c4ccccc4)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K18 compound treatment 0.26 0.0111 0.55 0.26 0.0148 0.81 0.9602 0.9815 1336607 IFLab1_004814 CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K19 compound treatment 0.245 -0.00393 -0.19 0.247 0.0018 0.1 -0.0676 -0.3101 2068044 IFLab1_004815 Cc1ccc(/C=[N+](\[O-])/c2ccccc2C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K20 compound treatment 0.246 -0.00293 -0.14 0.25 0.0048 0.26 0.0837 0.2785 2068045 IFLab1_004816 CCOC(=O)c1c(C)oc-2c1/C(=C/NCc3cccnc3)/C(=O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K21 compound treatment 0.25 0.00107 0.05 0.25 0.0048 0.26 0.2233 0.8321 2068046 IFLab1_004817 N=C1NC(=O)C(CC(=O)Nc2ccc(cc2)N3CCCCC3)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K22 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 1413048 IFLab1_004818 CCOC(=O)c1c(C)oc2c1c(CN3CCN(CC)CC3)c(O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K23 mock treatment 0.251 0.00207 0.1 0.25 0.0048 0.26 0.2583 0.9149 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 K24 mock treatment 0.256 0.00707 0.35 0.251 0.0058 0.32 0.4716 0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L01 compound treatment 0.255 0.00607 0.3 0.247 0.0018 0.1 0.2816 0.8929 1673825 IFLab1_004819 Cc1[nH]c2ccccc2c1C(O)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L02 compound treatment 0.252 0.00307 0.15 0.251 0.0058 0.32 0.332 0.9424 2068047 IFLab1_004820 OC(=O)C(CC(=O)Nc1cccc(Cl)c1)NCCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L03 compound treatment 0.259 0.0101 0.5 0.263 0.0178 0.98 1.0416 0.951 1329589 IFLab1_004821 COc1ccc(Nc2oc(nc2C#N)c3ccccc3Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L04 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 2068048 IFLab1_004822 Cc1ccccc1NC(=O)CC(NCc2ccccc2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L05 compound treatment 0.263 0.0141 0.69 0.264 0.0188 1.03 1.2201 0.9815 1599499 IFLab1_004823 COc1cccc(c1)C(=O)N=c2sc3cc(ccc3n2C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L06 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 1577554 IFLab1_004824 CCC(C)c1ccccc1OCC(O)CNC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L07 compound treatment 0.296 0.0471 2.32 0.291 0.0458 2.51 3.4192 0.9993 1280637 IFLab1_004825 Cc1ccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccc(C)cc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L08 compound treatment 0.308 0.0591 2.92 0.304 0.0588 3.22 4.3422 0.9988 1216919 IFLab1_004826 OC1=C(C(N(Cc2cccnc2)C1=O)c3ccc(F)cc3)C(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L09 compound treatment 0.287 0.0381 1.88 0.283 0.0378 2.07 2.7947 0.9988 1733784 IFLab1_004827 CCOC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(cc3)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L10 compound treatment 0.251 0.00207 0.1 0.25 0.0048 0.26 0.2583 0.9149 1422056 IFLab1_004828 COc1ccc(cc1)C(=O)NCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L11 compound treatment 0.252 0.00307 0.15 0.256 0.0108 0.59 0.5258 0.8603 2068049 IFLab1_004829 O=S(=O)(N1CCOCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L12 compound treatment 0.249 6.67E-5 0.0 0.25 0.0048 0.26 0.1884 0.7159 2068050 IFLab1_004830 COc1ccc(OC)c(c1)S(=O)(=O)Nc2cc(Cl)ccc2OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L13 compound treatment 0.255 0.00607 0.3 0.255 0.0098 0.54 0.5918 0.9619 2068051 IFLab1_004831 NC(=O)CCn1cnc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L14 compound treatment 0.259 0.0101 0.5 0.261 0.0158 0.87 0.9641 0.9652 2068052 IFLab1_004832 COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L15 compound treatment 0.264 0.0151 0.74 0.262 0.0168 0.92 1.1774 0.9944 1136508 IFLab1_004833 C(Cn1c(nc2ccccc12)c3ccco3)Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L16 compound treatment 0.25 0.00107 0.05 0.252 0.0068 0.37 0.3009 0.7991 2068053 IFLab1_004834 COc1ccc(cc1)c2csc3ncnc(n4nc(C)cc4N)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L17 compound treatment 0.262 0.0131 0.65 0.264 0.0188 1.03 1.1851 0.9745 1334590 IFLab1_004835 Cc1cc(NC(c2c(C)[nH]c3ccccc23)c4ccccn4)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L18 compound treatment 0.254 0.00507 0.25 0.252 0.0068 0.37 0.4406 0.9812 1699433 IFLab1_004836 C=CCSc1nnc(o1)c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L19 compound treatment 0.252 0.00307 0.15 0.254 0.0088 0.48 0.4483 0.8864 1314063 IFLab1_004837 Clc1ccc(cc1)C(=O)Oc2c(CN3CCOCC3)cc(Cl)c4cccnc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L20 compound treatment 0.251 0.00207 0.1 0.253 0.0078 0.43 0.3746 0.8519 1271753 IFLab1_004838 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)c2ccccc2Cl)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L21 compound treatment 0.259 0.0101 0.5 0.258 0.0128 0.7 0.8478 0.9857 1449299 IFLab1_004839 Cc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)O)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L22 compound treatment 0.251 0.00207 0.1 0.249 0.0038 0.21 0.2195 0.9461 1301330 IFLab1_004840 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(OCc4ccccc4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L23 mock treatment 0.259 0.0101 0.5 0.258 0.0128 0.7 0.8478 0.9857 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 L24 mock treatment 0.25 0.00107 0.05 0.247 0.0018 0.1 0.107 0.9568 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M01 compound treatment 0.239 -0.00993 -0.49 0.239 -0.0062 -0.34 -0.5872 -0.984 2068054 IFLab1_004841 CC(=O)N1CC(=O)Nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M02 compound treatment 0.254 0.00507 0.25 0.254 0.0088 0.48 0.5181 0.9532 1454506 IFLab1_004842 COC(=O)c1c(C)c(C)sc1NC(=O)CC2Sc3ccccc3NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M03 compound treatment 0.254 0.00507 0.25 0.252 0.0068 0.37 0.4406 0.9812 1540390 IFLab1_004843 COC1(NC(=O)c2ccccc2)C(=CC(=O)C=C1C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M04 compound treatment 0.256 0.00707 0.35 0.258 0.0128 0.7 0.743 0.948 1681787 IFLab1_004844 CCc1cc2c(=O)c(c(C)oc2cc1OCC(=O)O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M05 compound treatment 0.241 -0.00793 -0.39 0.241 -0.0042 -0.23 -0.4399 -0.9679 1373556 IFLab1_004845 COc1cc(C)ccc1S(=O)(=O)n2cnc3cc(C)c(C)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M06 compound treatment 0.253 0.00407 0.2 0.257 0.0118 0.65 0.5995 0.8849 1638669 IFLab1_004846 CN(C(=O)c1ccc(Cl)cc1)C2(C)CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M07 compound treatment 0.31 0.0611 3.02 0.309 0.0638 3.5 4.6059 0.9973 2068055 IFLab1_004847 O=C/1NC(=S)S\C1=C/Nc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M08 compound treatment 0.253 0.00407 0.2 0.26 0.0148 0.81 0.7158 0.8563 2068056 IFLab1_004848 Cc1nc2ccccc2n1CCCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M09 compound treatment 0.257 0.00807 0.4 0.257 0.0118 0.65 0.7392 0.9729 2068057 IFLab1_004849 Cc1cc(O)c(/C=N/c2ccccn2)c(=O)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M10 compound treatment 0.249 6.67E-5 0.0 0.248 0.0028 0.15 0.1109 0.7221 2068058 IFLab1_004850 NC(=O)CC1SC(=O)NC1=N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M11 compound treatment 0.252 0.00307 0.15 0.252 0.0068 0.37 0.3707 0.9212 1679062 IFLab1_004851 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M12 compound treatment 0.256 0.00707 0.35 0.259 0.0138 0.76 0.7818 0.9382 1635935 IFLab1_004852 CCCn1c(nc2ccccc12)c3ccc(cc3)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M13 compound treatment 0.415 0.166 8.2 0.403 0.158 8.65 11.9167 0.9996 2068059 IFLab1_004853 COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M14 compound treatment 0.25 0.00107 0.05 0.252 0.0068 0.37 0.3009 0.7991 1365021 IFLab1_004854 COc1ccc(cc1OC)C2CC(=O)n3nc(nc3S2)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M15 compound treatment 0.272 0.0231 1.14 0.272 0.0268 1.47 1.8445 0.9921 2068060 IFLab1_004855 Fc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M16 compound treatment 0.252 0.00307 0.15 0.257 0.0118 0.65 0.5646 0.8497 1353446 IFLab1_004856 Cc1ccc2c(CC(=O)O)cc(=O)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M17 compound treatment 0.255 0.00607 0.3 0.261 0.0158 0.87 0.8244 0.8994 2068061 IFLab1_004857 CCNC(=O)CC1Sc2ccc(cc2NC1=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M18 compound treatment 0.258 0.00907 0.45 0.254 0.0088 0.48 0.6578 0.9993 1175381 IFLab1_004858 Cc1c(CCC#N)c(O)n2c3ccccc3nc2c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M19 compound treatment 0.254 0.00507 0.25 0.258 0.0128 0.7 0.6732 0.9035 2068062 IFLab1_004859 O=C1C=CC(=O)N1c2ccccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M20 compound treatment 0.249 6.67E-5 0.0 0.249 0.0038 0.21 0.1497 0.7182 2068063 IFLab1_004860 CCOC(=O)c1c(C)oc-2c1/C(=C/NCC3CCCO3)/C(=O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M21 compound treatment 0.242 -0.00693 -0.34 0.234 -0.0112 -0.61 -0.6763 -0.9619 1389116 IFLab1_004861 CCNC(=O)CC1Nc2cc(C)c(C)cc2NC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M22 compound treatment 0.25 0.00107 0.05 0.254 0.0088 0.48 0.3784 0.7797 1354410 IFLab1_004862 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4ccc(C)cn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M23 mock treatment 0.254 0.00507 0.25 0.251 0.0058 0.32 0.4018 0.993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 M24 mock treatment 0.25 0.00107 0.05 0.243 -0.0022 -0.12 -0.048 -0.365 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N01 compound treatment 0.251 0.00207 0.1 0.236 -0.0092 -0.5 -0.2845 -0.5528 1348243 IFLab1_004863 Fc1ccccc1c2nc(C#N)c(NCCN3CCOCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N02 compound treatment 0.245 -0.00393 -0.19 0.248 0.0028 0.15 -0.0288 -0.1163 2068064 IFLab1_004864 Cc1cccc(C)c1NC(=O)CC(NCc2ccco2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N03 compound treatment 0.25 0.00107 0.05 0.252 0.0068 0.37 0.3009 0.7991 1144471 IFLab1_004865 CN(C)CCNc1oc(nc1C#N)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N04 compound treatment 0.246 -0.00293 -0.14 0.245 -2.0E-4 -0.01 -0.1102 -0.7585 2068065 IFLab1_004866 COc1ccccc1NC(=O)CC(N(C)C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N05 compound treatment 0.256 0.00707 0.35 0.252 0.0068 0.37 0.5104 0.9995 1631308 IFLab1_004867 Cn1c(=NC(=O)c2cccc3ccccc23)sc4cc(ccc14)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N06 compound treatment 0.257 0.00807 0.4 0.26 0.0148 0.81 0.8555 0.9463 1636718 IFLab1_004868 CCC(C)c1ccccc1OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N07 compound treatment 0.264 0.0151 0.74 0.265 0.0198 1.09 1.2938 0.983 1582749 IFLab1_004869 COc1cc(ccc1O)C2C(=C(NC3=C2C(=O)CCC3)SCc4ccccc4)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N08 compound treatment 0.295 0.0461 2.27 0.294 0.0488 2.68 3.5006 0.9967 1529622 IFLab1_004870 OC1=C(C(N(Cc2cccnc2)C1=O)c3ccncc3)C(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N09 compound treatment 0.245 -0.00393 -0.19 0.244 -0.0012 -0.07 -0.1839 -0.8966 1714926 IFLab1_004871 CC(C)c1ccc(cc1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N10 compound treatment 0.253 0.00407 0.2 0.256 0.0108 0.59 0.5607 0.8967 1655271 IFLab1_004872 CC(C)C(NC(=O)COc1ccccc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N11 compound treatment 0.255 0.00607 0.3 0.246 8.0E-4 0.04 0.2429 0.8021 2068066 IFLab1_004873 O=S(=O)(N1CCCCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N12 compound treatment 0.238 -0.0109 -0.54 0.251 0.0058 0.32 -0.1569 -0.2504 1728353 IFLab1_004874 CC(C)c1ccc(C)c(c1)S(=O)(=O)NCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N13 compound treatment 0.252 0.00307 0.15 0.257 0.0118 0.65 0.5646 0.8497 1056487 IFLab1_004875 CCOC(CSc1nc2ccccc2[nH]1)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N14 compound treatment 0.251 0.00207 0.1 0.249 0.0038 0.21 0.2195 0.9461 2068067 IFLab1_004876 CS/C(=C/1\CCCCC1=O)/NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N15 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 1513471 IFLab1_004877 Nc1ccc(cc1)c2nc3ccccc3n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N16 compound treatment 0.247 -0.00193 -0.1 0.251 0.0058 0.32 0.1574 0.4739 1648406 IFLab1_004878 CC1CCc2c(C1)sc3ncnc(NCCN4CCOCC4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N17 compound treatment 0.259 0.0101 0.5 0.256 0.0108 0.59 0.7702 0.9962 1185990 IFLab1_004879 CC1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N18 compound treatment 0.253 0.00407 0.2 0.252 0.0068 0.37 0.4056 0.9579 1349673 IFLab1_004880 Cc1cc(C)n(n1)C(=O)C2CCCN2S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N19 compound treatment 0.248 -9.33E-4 -0.05 0.253 0.0078 0.43 0.2698 0.6273 1283648 IFLab1_004881 Cc1[nH]c2ccccc2c1C(N3CCCCC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N20 compound treatment 0.249 6.67E-5 0.0 0.258 0.0128 0.7 0.4986 0.7104 1412058 IFLab1_004882 CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N21 compound treatment 0.25 0.00107 0.05 0.25 0.0048 0.26 0.2233 0.8321 1341013 IFLab1_004883 CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N22 compound treatment 0.247 -0.00193 -0.1 0.245 -2.0E-4 -0.01 -0.0753 -0.7832 1230304 IFLab1_004884 CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(OCc4ccccc4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N23 mock treatment 0.26 0.0111 0.55 0.256 0.0108 0.59 0.8051 0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 N24 mock treatment 0.248 -9.33E-4 -0.05 0.242 -0.0032 -0.18 -0.1567 -0.8636 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O01 compound treatment 0.221 -0.0279 -1.38 0.211 -0.0342 -1.88 -2.3013 -0.9886 1683671 IFLab1_004885 COc1cccc(NC(=O)c2cc3cccc(CC=C)c3oc2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O02 compound treatment 0.242 -0.00693 -0.34 0.244 -0.0012 -0.07 -0.2886 -0.8278 2068068 IFLab1_004886 Oc1ccc(c2n[nH]c(c2c3cnn(c3)c4ccccc4)C(F)(F)F)c(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O03 compound treatment 0.256 0.00707 0.35 0.253 0.0078 0.43 0.5492 0.9949 1578971 IFLab1_004887 COc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2C(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O04 compound treatment 0.256 0.00707 0.35 0.256 0.0108 0.59 0.6655 0.9682 1295379 IFLab1_004888 CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O05 compound treatment 0.247 -0.00193 -0.1 0.247 0.0018 0.1 0.0023 0.0166 1082126 IFLab1_004889 Cc1ccc(NC(=O)c2ccco2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O06 compound treatment 0.26 0.0111 0.55 0.256 0.0108 0.59 0.8051 0.9992 2068069 IFLab1_004890 Cc1nc2ccc(Br)cc2c(c3ccccc3)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O07 compound treatment 0.365 0.116 5.73 0.294 0.0488 2.68 5.9448 0.9398 2068070 IFLab1_004891 CCN1C(=O)/C(=C/Nc2nc3ccccc3[nH]2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O08 compound treatment 0.255 0.00607 0.3 0.264 0.0188 1.03 0.9407 0.8764 1320029 IFLab1_004892 ONC(=O)c1sc2ccccc2c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O09 compound treatment 0.249 6.67E-5 0.0 0.248 0.0028 0.15 0.1109 0.7221 2068071 IFLab1_004893 Cc1cc(O)c(/C=N/c2ccc(I)cc2)c(=O)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O10 compound treatment 0.239 -0.00993 -0.49 0.239 -0.0062 -0.34 -0.5872 -0.984 2068072 IFLab1_004894 COC(=O)CC/1SC(=O)N\C1=N\c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O11 compound treatment 0.242 -0.00693 -0.34 0.247 0.0018 0.1 -0.1723 -0.4836 1458878 IFLab1_004895 Cc1ccc(C)n1CCN2CCN(CC2)C(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O12 compound treatment 0.255 0.00607 0.3 0.256 0.0108 0.59 0.6306 0.9502 1191331 IFLab1_004896 Oc1cccc2CCCN(c12)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O13 compound treatment 0.267 0.0181 0.89 0.258 0.0128 0.7 1.1271 0.9929 2068073 IFLab1_004897 COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)/SC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O14 compound treatment 0.248 -9.33E-4 -0.05 0.244 -0.0012 -0.07 -0.0791 -0.9848 2068074 IFLab1_004898 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O15 compound treatment 0.25 0.00107 0.05 0.25 0.0048 0.26 0.2233 0.8321 2068075 IFLab1_004899 O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)/SC1=S)Nc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O16 compound treatment 0.255 0.00607 0.3 0.257 0.0118 0.65 0.6693 0.9388 1040166 IFLab1_004900 OC(=O)Cc1cc(=O)oc2cc(O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O17 compound treatment 0.253 0.00407 0.2 0.26 0.0148 0.81 0.7158 0.8563 2068076 IFLab1_004901 Oc1ccc2ccccc2c1/C=N/S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O18 compound treatment 0.258 0.00907 0.45 0.254 0.0088 0.48 0.6578 0.9993 2068077 IFLab1_004902 Clc1ccc(cc1)c2csc3ncnc(Cl)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O19 compound treatment 0.249 6.67E-5 0.0 0.249 0.0038 0.21 0.1497 0.7182 1404527 IFLab1_004903 CC(=O)Oc1ccc(cc1)N2C(=O)C3C4OC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O20 compound treatment 0.251 0.00207 0.1 0.246 8.0E-4 0.04 0.1032 0.9289 2068078 IFLab1_004904 CCOC(=O)c1c(C)oc-2c1/C(=C/NCc3ccco3)/C(=O)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O21 compound treatment 0.248 -9.33E-4 -0.05 0.247 0.0018 0.1 0.0372 0.3415 2068079 IFLab1_004905 COC(=O)c1c(C)c(C)sc1N2C(=O)C3CC(=C(C)CC3C2=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O22 compound treatment 0.278 0.0291 1.44 0.28 0.0348 1.91 2.3642 0.9902 1566101 IFLab1_004906 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4cccc(C)n4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O23 mock treatment 0.251 0.00207 0.1 0.253 0.0078 0.43 0.3746 0.8519 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 O24 mock treatment 0.24 -0.00893 -0.44 0.234 -0.0112 -0.61 -0.7462 -0.9868 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P01 compound treatment 0.201 -0.0479 -2.37 0.198 -0.0472 -2.59 -3.5037 -0.999 1424679 IFLab1_004907 Fc1ccccc1c2nc(C#N)c(NCCc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P02 compound treatment 0.22 -0.0289 -1.43 0.226 -0.0192 -1.05 -1.7547 -0.9887 2068080 IFLab1_004908 CN(C)C(CC(=O)Nc1c(C)cccc1C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P03 compound treatment 0.239 -0.00993 -0.49 0.229 -0.0162 -0.89 -0.9749 -0.9608 1921619 IFLab1_004909 OC(=O)/C=C\C(=O)Nc1ccc(Cl)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P04 compound treatment 0.237 -0.0119 -0.59 0.234 -0.0112 -0.61 -0.8509 -0.9998 2068081 IFLab1_004910 Cc1ccc(C)c(NC(=O)CC(NCCc2ccccc2)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P05 compound treatment 0.229 -0.0199 -0.98 0.237 -0.0082 -0.45 -1.0139 -0.937 1647669 IFLab1_004911 Cn1c(=NC(=O)c2ccco2)sc3cc(ccc13)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P06 compound treatment 0.231 -0.0179 -0.89 0.241 -0.0042 -0.23 -0.789 -0.8623 1630888 IFLab1_004912 CCC(OCC(O)CN1CCCC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P07 compound treatment 0.235 -0.0139 -0.69 0.234 -0.0112 -0.61 -0.9208 -0.9984 1335997 IFLab1_004913 CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P08 compound treatment 0.248 -9.33E-4 -0.05 0.237 -0.0082 -0.45 -0.3505 -0.7755 1579335 IFLab1_004914 Cc1ccc(cc1)C2N(CCN3CCOCC3)C(=O)C(=C2C(=O)c4ccccc4)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P09 compound treatment 0.271 0.0221 1.09 0.257 0.0118 0.65 1.228 0.969 1438643 IFLab1_004915 COC(=O)C1C(C(=C(NC1=O)SCc2ccccc2Cl)C#N)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P10 compound treatment 0.235 -0.0139 -0.69 0.234 -0.0112 -0.61 -0.9208 -0.9984 1199415 IFLab1_004916 OC(=O)C(Cc1ccccc1)NC(=O)COc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P11 compound treatment 0.236 -0.0129 -0.64 0.212 -0.0332 -1.82 -1.7388 -0.9013 2068082 IFLab1_004917 COc1ccccc1NS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P12 compound treatment 0.233 -0.0159 -0.79 0.233 -0.0122 -0.67 -1.0294 -0.9967 1301866 IFLab1_004918 COc1cc(Cl)c(cc1Cl)S(=O)(=O)NCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P13 compound treatment 0.238 -0.0109 -0.54 0.24 -0.0052 -0.29 -0.5834 -0.9555 1205579 IFLab1_004919 CCOC(Cn1c(nc2ccccc12)c3ccc(OC)cc3)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P14 compound treatment 0.24 -0.00893 -0.44 0.251 0.0058 0.32 -0.0871 -0.1601 1094785 IFLab1_004920 Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P15 compound treatment 0.235 -0.0139 -0.69 0.248 0.0028 0.15 -0.378 -0.5361 1345180 IFLab1_004921 CCn1c(nc2ccccc12)c3ccc(N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P16 compound treatment 0.237 -0.0119 -0.59 0.228 -0.0172 -0.94 -1.0835 -0.9744 2068083 IFLab1_004922 Cc1noc(C)c1CN2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P17 compound treatment 0.236 -0.0129 -0.64 0.24 -0.0052 -0.29 -0.6532 -0.9339 1461963 IFLab1_004923 CCOC(=O)C1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P18 compound treatment 0.236 -0.0129 -0.64 0.234 -0.0112 -0.61 -0.8858 -0.9998 2068084 IFLab1_004924 Cc1c(O)ccc(c2n[nH]c(c2Oc3ccccc3)C(F)(F)F)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P19 compound treatment 0.229 -0.0199 -0.98 0.246 8.0E-4 0.04 -0.665 -0.6749 2068085 IFLab1_004925 COc1ccccc1C2CC(=O)CC(S2)c3ccccc3OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P20 compound treatment 0.23 -0.0189 -0.93 0.238 -0.0072 -0.39 -0.9403 -0.9265 1268872 IFLab1_004926 CC1=C(C(C(=C(N1)SCC(=O)c2ccccc2)C#N)c3ccco3)C(=O)Nc4ccccc4C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P21 compound treatment 0.237 -0.0119 -0.59 0.234 -0.0112 -0.61 -0.8509 -0.9998 1451347 IFLab1_004927 CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P22 compound treatment 0.241 -0.00793 -0.39 0.235 -0.0102 -0.56 -0.6725 -0.9848 1261725 IFLab1_004928 NC(=O)c1sc2NC(=O)CC(c2c1N)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P23 mock treatment 0.239 -0.00993 -0.49 0.209 -0.0362 -1.98 -1.7503 -0.8561 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1425 P24 mock treatment 0.214 -0.0349 -1.73 0.216 -0.0292 -1.6 -2.3519 -0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A01 compound treatment 0.199 -0.0452 -2.23 0.191 -0.0571 -3.13 -3.7934 -0.9862 1331393 IFLab1_004929 COc1ccc(cc1)C2C(=C(NC3=C2C(=O)CC(C)(C)C3)SCC(=O)Nc4ccccc4)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A02 compound treatment 0.201 -0.0432 -2.13 0.21 -0.0381 -2.09 -2.9869 -0.9999 1299912 IFLab1_004930 CC1CCN(CC1)C(=O)c2ccc(cc2)C(=O)N3CCC(C)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A03 compound treatment 0.218 -0.0262 -1.29 0.228 -0.0201 -1.1 -1.6954 -0.9969 1234075 IFLab1_004931 CCOc1ccccc1C2C(=C(NC3=C2C(=O)CCC3)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A04 compound treatment 0.223 -0.0212 -1.05 0.217 -0.0311 -1.71 -1.9473 -0.9725 1623784 IFLab1_004932 C(Sc1ccccn1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A05 compound treatment 0.227 -0.0172 -0.85 0.234 -0.0141 -0.77 -1.1485 -0.999 1145453 IFLab1_004933 COC(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A06 compound treatment 0.218 -0.0262 -1.29 0.234 -0.0141 -0.77 -1.4628 -0.97 1460803 IFLab1_004934 Cc1cc(Cl)ccc1OCc2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A07 compound treatment 0.236 -0.0082 -0.4 0.245 -0.00313 -0.17 -0.4078 -0.9271 1458206 IFLab1_004935 CC1CN(CC(C)O1)c2nnnn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A08 compound treatment 0.229 -0.0152 -0.75 0.241 -0.00713 -0.39 -0.8073 -0.9538 1516662 IFLab1_004936 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)COc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A09 compound treatment 0.233 -0.0112 -0.55 0.222 -0.0261 -1.43 -1.4043 -0.9143 2068086 IFLab1_004937 COc1cccc(c1)c2nc3sc4CCCCc4c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A10 compound treatment 0.226 -0.0182 -0.9 0.233 -0.0151 -0.83 -1.2222 -0.9992 1134486 IFLab1_004938 COc1ccc(NC(=O)CSc2nc3CCCC(=O)c3cc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A11 compound treatment 0.233 -0.0112 -0.55 0.238 -0.0101 -0.56 -0.784 -1.0 2068087 IFLab1_004939 CC1CN(CCC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A12 compound treatment 0.226 -0.0182 -0.9 0.235 -0.0131 -0.72 -1.1447 -0.994 1638070 IFLab1_004940 CCN(CC)C(=O)c1sc2nc3CC(C)(C)CC(=O)c3cc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A13 compound treatment 0.238 -0.0062 -0.31 0.242 -0.00613 -0.34 -0.4543 -0.9989 1253964 IFLab1_004941 C1CN(CCO1)c2nnc(c3cccs3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A14 compound treatment 0.23 -0.0142 -0.7 0.238 -0.0101 -0.56 -0.8887 -0.9934 2068088 IFLab1_004942 Cc1cc(C)c(C#N)c(SCc2cn3c(C)cccc3n2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A15 compound treatment 0.23 -0.0142 -0.7 0.237 -0.0111 -0.61 -0.9275 -0.9976 1676583 IFLab1_004943 Cc1sc2ncnc(NCc3ccc4OCOc4c3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A16 compound treatment 0.236 -0.0082 -0.4 0.238 -0.0101 -0.56 -0.6792 -0.9879 1583138 IFLab1_004944 COC(=O)Cc1cc(=O)oc2cc(O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A17 compound treatment 0.225 -0.0192 -0.95 0.232 -0.0161 -0.88 -1.2959 -0.9994 1667885 IFLab1_004945 CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc(C)c1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A18 compound treatment 0.224 -0.0202 -1.0 0.235 -0.0131 -0.72 -1.2145 -0.9872 1057190 IFLab1_004946 O=C(N1CCOCC1)c2c3CCCCc3nc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A19 compound treatment 0.237 -0.0072 -0.36 0.238 -0.0101 -0.56 -0.6443 -0.9767 1398007 IFLab1_004947 Cc1cc(=O)oc2cc(Oc3nncc4ccccc34)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A20 compound treatment 0.225 -0.0192 -0.95 0.24 -0.00813 -0.45 -0.9858 -0.9408 2068089 IFLab1_004948 COc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A21 compound treatment 0.246 0.0018 0.09 0.217 -0.0311 -1.71 -1.1442 -0.6694 1328045 IFLab1_004949 O=C(CSc1nnc2ccccn12)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A22 compound treatment 0.219 -0.0252 -1.24 0.238 -0.0101 -0.56 -1.2728 -0.934 1584108 IFLab1_004950 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NC4CCSC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A23 mock treatment 0.219 -0.0252 -1.24 0.211 -0.0371 -2.04 -2.3196 -0.9721 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 A24 mock treatment 0.201 -0.0432 -2.13 0.198 -0.0501 -2.75 -3.4521 -0.9921 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B01 compound treatment 0.209 -0.0352 -1.74 0.211 -0.0371 -2.04 -2.6688 -0.9969 1420417 IFLab1_004951 COc1ccc(cc1)c2nc(NC(=O)C3CC3)sc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B02 compound treatment 0.267 0.0228 1.13 0.267 0.0189 1.03 1.5276 0.9991 1167951 IFLab1_004952 OC(CNC1CCCCC1)COc2ccc(cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B03 compound treatment 0.255 0.0108 0.53 0.258 0.00987 0.54 0.7596 1.0 1158020 IFLab1_004953 O=C1CCCC2=C1C(c3cccs3)n4ncnc4N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B04 compound treatment 0.25 0.0058 0.29 0.255 0.00687 0.38 0.4687 0.9909 1274024 IFLab1_004954 CCN1C(=O)C2ON(C(C2C1=O)c3ccc(cc3)N(C)C)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B05 compound treatment 0.255 0.0108 0.53 0.258 0.00987 0.54 0.7596 1.0 2068090 IFLab1_004955 C(c1cccs1)n2c(nc3ccccc23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B06 compound treatment 0.25 0.0058 0.29 0.251 0.00287 0.16 0.3137 0.9601 2068091 IFLab1_004956 Nn1c(SCC(=O)NC2CCCCC2)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B07 compound treatment 0.253 0.0088 0.43 0.257 0.00887 0.49 0.651 0.9984 1449826 IFLab1_004957 CC1(C)CC(=C(C(c2c[nH]c3ccccc23)c4ccccn4)C(=O)C1)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B08 compound treatment 0.268 0.0238 1.18 0.273 0.0249 1.36 1.7951 0.9973 2068092 IFLab1_004958 Nc1ccccc1c2nnc(SCC(=O)c3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B09 compound treatment 0.252 0.0078 0.39 0.262 0.0139 0.76 0.81 0.9503 1569512 IFLab1_004959 COc1ccc(cc1OC)c2nn(cc2C(=O)N3CCCCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B10 compound treatment 0.255 0.0108 0.53 0.255 0.00687 0.38 0.6433 0.9855 1733756 IFLab1_004960 OC1=C(C(N(CCN2CCOCC2)C1=O)c3ccccc3F)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B11 compound treatment 0.253 0.0088 0.43 0.256 0.00787 0.43 0.6123 1.0 2068093 IFLab1_004961 COc1ccc(cc1)c2nnc3sc(nn23)c4ccc(Br)o4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B12 compound treatment 0.257 0.0128 0.63 0.255 0.00687 0.38 0.7132 0.9694 2068094 IFLab1_004962 COc1ccc(CCN2C(=O)/C(=C\3/C(=O)N(CC=C)c4ccccc34)/SC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B13 compound treatment 0.262 0.0178 0.88 0.273 0.0249 1.36 1.5856 0.9775 1572398 IFLab1_004963 Cc1cccn2cc(nc12)c3cccc(NC(=O)CCC(=O)O)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B14 compound treatment 0.249 0.0048 0.24 0.251 0.00287 0.16 0.2787 0.9801 1395341 IFLab1_004964 COc1ccc(cc1)S(=O)(=O)Nc2ccc3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B15 compound treatment 0.259 0.0148 0.73 0.259 0.0109 0.6 0.9381 0.9949 1573171 IFLab1_004965 CC(NCC(O)COc1ccc(Br)cc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B16 compound treatment 0.259 0.0148 0.73 0.259 0.0109 0.6 0.9381 0.9949 1281253 IFLab1_004966 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B17 compound treatment 0.272 0.0278 1.37 0.273 0.0249 1.36 1.9348 1.0 1373656 IFLab1_004967 Clc1cccc(c1)N2CCN(CC2)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B18 compound treatment 0.251 0.0068 0.34 0.254 0.00587 0.32 0.4649 0.9998 1353522 IFLab1_004968 CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)nc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B19 compound treatment 0.261 0.0168 0.83 0.253 0.00487 0.27 0.7753 0.8897 1569733 IFLab1_004969 Cc1c(C)c2ccccc2n1CC(O)CNCC3CCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B20 compound treatment 0.252 0.0078 0.39 0.253 0.00487 0.27 0.461 0.9839 2068095 IFLab1_004970 Cc1nnc(SCc2ccc(cc2)C(=O)c3ccc(F)cc3)nc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B21 compound treatment 0.27 0.0258 1.27 0.26 0.0119 0.65 1.361 0.9513 2068096 IFLab1_004971 Brc1ccc(cc1)n2cnnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B22 compound treatment 0.25 0.0058 0.29 0.252 0.00387 0.21 0.3524 0.989 1391385 IFLab1_004972 NCC(O)COc1ccc2OCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B23 mock treatment 0.252 0.0078 0.39 0.257 0.00887 0.49 0.6161 0.9934 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 B24 mock treatment 0.243 -0.0012 -0.06 0.232 -0.0161 -0.88 -0.6674 -0.7528 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C01 compound treatment 0.205 -0.0392 -1.94 0.221 -0.0271 -1.49 -2.4208 -0.9915 1252533 IFLab1_004973 COC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C02 compound treatment 0.238 -0.0062 -0.31 0.24 -0.00813 -0.45 -0.5318 -0.9832 1293687 IFLab1_004974 COc1ccc(cc1OC)S(=O)(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C03 compound treatment 0.242 -0.0022 -0.11 0.234 -0.0141 -0.77 -0.6248 -0.7984 2068097 IFLab1_004975 NC(=O)CSC1=C(C#N)C(C(C(=O)c2cccs2)C(O)(N1)C(F)(F)F)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C04 compound treatment 0.247 0.0028 0.14 0.25 0.00187 0.1 0.1701 0.989 1523895 IFLab1_004976 C(Sc1nncc(n1)c2ccccc2)c3cn4cccnc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C05 compound treatment 0.251 0.0068 0.34 0.255 0.00687 0.38 0.5037 0.9984 2068098 IFLab1_004977 COC(=O)c1ccccc1NC(=O)CSc2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C06 compound treatment 0.238 -0.0062 -0.31 0.242 -0.00613 -0.34 -0.4543 -0.9989 1393524 IFLab1_004978 Fc1cccc(NCc2cn3cccnc3n2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C07 compound treatment 0.253 0.0088 0.43 0.253 0.00487 0.27 0.496 0.9726 1541517 IFLab1_004979 CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc3CC(C)CCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C08 compound treatment 0.245 8.0E-4 0.04 0.25 0.00187 0.1 0.1003 0.9143 1551454 IFLab1_004980 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccccc2F)SCC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C09 compound treatment 0.243 -0.0012 -0.06 0.245 -0.00313 -0.17 -0.1634 -0.899 1392911 IFLab1_004981 Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C10 compound treatment 0.242 -0.0022 -0.11 0.24 -0.00813 -0.45 -0.3922 -0.8544 1174704 IFLab1_004982 CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)N3CCc4ccccc34)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C11 compound treatment 0.299 0.0548 2.71 0.292 0.0439 2.41 3.6142 0.9983 1400707 IFLab1_004983 Cc1ccc(C)n1n2cnc3scc(c4cccs4)c3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C12 compound treatment 0.244 -2.0E-4 -0.01 0.244 -0.00413 -0.23 -0.1672 -0.7372 1428542 IFLab1_004984 Cc1ccc(cc1)C2CC(=O)Nc3sc(C(=O)N)c(N)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C13 compound treatment 0.239 -0.0052 -0.26 0.244 -0.00413 -0.23 -0.3418 -0.9981 1526230 IFLab1_004985 Cc1ccc(cc1C)S(=O)(=O)NC(Cc2ccccc2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C14 compound treatment 0.24 -0.0042 -0.21 0.239 -0.00913 -0.5 -0.5008 -0.9239 1156965 IFLab1_004986 CCOC(=O)c1sc2nc(cc(c3ccc(OC)cc3)c2c1N)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C15 compound treatment 0.239 -0.0052 -0.26 0.236 -0.0121 -0.67 -0.652 -0.9143 2068099 IFLab1_004987 Cc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C16 compound treatment 0.244 -2.0E-4 -0.01 0.243 -0.00513 -0.28 -0.206 -0.7315 1205072 IFLab1_004988 CCC(=O)Oc1ccc2cc(c3nc4ccccc4n3C)c(=O)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C17 compound treatment 0.251 0.0068 0.34 0.246 -0.00213 -0.12 0.1547 0.4351 2068100 IFLab1_004989 CCOc1ncnc2sc(cc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C18 compound treatment 0.253 0.0088 0.43 0.251 0.00287 0.16 0.4184 0.9055 1517794 IFLab1_004990 CCN(CC)C(=O)c1c2CCCCc2nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C19 compound treatment 0.243 -0.0012 -0.06 0.24 -0.00813 -0.45 -0.3572 -0.7941 1419018 IFLab1_004991 C1Oc2ccc(Oc3nncc4ccccc34)cc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C20 compound treatment 0.241 -0.0032 -0.16 0.239 -0.00913 -0.5 -0.4658 -0.8871 1458982 IFLab1_004992 CCCCN1C(=O)C2ON(C(C2C1=O)c3cccs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C21 compound treatment 0.24 -0.0042 -0.21 0.239 -0.00913 -0.5 -0.5008 -0.9239 2068101 IFLab1_004993 O=C(CSc1nnc2ccccn12)Nc3sc4CCCc4c3C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C22 compound treatment 0.243 -0.0012 -0.06 0.243 -0.00513 -0.28 -0.2409 -0.8376 1645696 IFLab1_004994 OC(=O)c1ccc(CN2C(=O)CSC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C23 mock treatment 0.237 -0.0072 -0.36 0.24 -0.00813 -0.45 -0.5667 -0.9937 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 C24 mock treatment 0.224 -0.0202 -1.0 0.232 -0.0161 -0.88 -1.3308 -0.9982 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D01 compound treatment 0.236 -0.0082 -0.4 0.24 -0.00813 -0.45 -0.6017 -0.9988 2068102 IFLab1_004995 CC(=O)Nc1nc(cs1)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D02 compound treatment 0.249 0.0048 0.24 0.247 -0.00113 -0.06 0.1237 0.5047 1181293 IFLab1_004996 CCN1CCN(CC(O)COc2ccc(cc2)C(=O)OC)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D03 compound treatment 0.251 0.0068 0.34 0.248 -1.33E-4 -0.01 0.2323 0.6915 1422173 IFLab1_004997 COc1ccc(cc1)c2nc3ccccc3n2C(=O)c4ccccc4C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D04 compound treatment 0.244 -2.0E-4 -0.01 0.238 -0.0101 -0.56 -0.3999 -0.7196 1468196 IFLab1_004998 CCOc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D05 compound treatment 0.257 0.0128 0.63 0.255 0.00687 0.38 0.7132 0.9694 1242970 IFLab1_004999 Cc1ccccc1OCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D06 compound treatment 0.244 -2.0E-4 -0.01 0.247 -0.00113 -0.06 -0.0509 -0.8093 2068103 IFLab1_005000 FC(F)(F)c1ccccc1NC(=O)CSc2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D07 compound treatment 0.245 8.0E-4 0.04 0.247 -0.00113 -0.06 -0.016 -0.2174 1519864 IFLab1_005001 COc1ccc(cc1OC)C(Nc2ccccn2)c3c(C)[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D08 compound treatment 0.262 0.0178 0.88 0.254 0.00587 0.32 0.849 0.907 2068104 IFLab1_005002 CC(C)(C)C1=N/C(=C\c2ccccc2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D09 compound treatment 0.251 0.0068 0.34 0.254 0.00587 0.32 0.4649 0.9998 2068105 IFLab1_005003 COc1ccc(cc1)c2nn(cc2/C=C\C(=O)N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D10 compound treatment 0.264 0.0198 0.98 0.274 0.0259 1.42 1.6942 0.9835 1480863 IFLab1_005004 COc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D11 compound treatment 0.25 0.0058 0.29 0.255 0.00687 0.38 0.4687 0.9909 2068106 IFLab1_005005 OC(=O)CSc1nnc(c2ccco2)n1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D12 compound treatment 0.252 0.0078 0.39 0.252 0.00387 0.21 0.4223 0.9604 1604864 IFLab1_005006 Cn1c(SCC(=O)NCc2cccnc2)nnc1c3sc4ccccc4c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D13 compound treatment 0.246 0.0018 0.09 0.251 0.00287 0.16 0.174 0.9636 1547076 IFLab1_005007 Cc1ccc(cc1)C2SCCN2S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D14 compound treatment 0.249 0.0048 0.24 0.248 -1.33E-4 -0.01 0.1624 0.685 1164761 IFLab1_005008 Cc1ccc(c(C)c1)S(=O)(=O)Nc2ccc(O)c(c2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D15 compound treatment 0.25 0.0058 0.29 0.251 0.00287 0.16 0.3137 0.9601 1375016 IFLab1_005009 CN(CC(O)COc1ccc(Br)cc1)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D16 compound treatment 0.255 0.0108 0.53 0.251 0.00287 0.16 0.4883 0.8782 1437364 IFLab1_005010 CCCC(=O)Oc1ccc(cc1)N(C(=O)CCC)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D17 compound treatment 0.26 0.0158 0.78 0.261 0.0129 0.71 1.0505 0.9987 1468627 IFLab1_005011 CS(=O)(=O)N1CCN(CC1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D18 compound treatment 0.264 0.0198 0.98 0.256 0.00787 0.43 0.9964 0.9324 1490534 IFLab1_005012 Cc1ccc(SCC(=O)Nc2ccc(I)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D19 compound treatment 0.249 0.0048 0.24 0.247 -0.00113 -0.06 0.1237 0.5047 1164764 IFLab1_005013 Cc1c(C)c2ccccc2n1CC(O)CN3CCN(CCO)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D20 compound treatment 0.251 0.0068 0.34 0.252 0.00387 0.21 0.3874 0.9754 1588258 IFLab1_005014 COc1ccc(CCNc2nc3ccccc3s2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D21 compound treatment 0.244 -2.0E-4 -0.01 0.241 -0.00713 -0.39 -0.2835 -0.7247 1415637 IFLab1_005015 CCOC(=O)c1ccc(NC(=O)C2(CCC3(C)C(=O)C2)C3(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D22 compound treatment 0.247 0.0028 0.14 0.246 -0.00213 -0.12 0.0151 0.0832 2068107 IFLab1_005016 COc1ccc(CCNC(CC(=O)Nc2ccccc2)C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D23 mock treatment 0.249 0.0048 0.24 0.248 -1.33E-4 -0.01 0.1624 0.685 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 D24 mock treatment 0.245 8.0E-4 0.04 0.243 -0.00513 -0.28 -0.1711 -0.602 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E01 compound treatment 0.246 0.0018 0.09 0.242 -0.00613 -0.34 -0.1749 -0.5029 1645465 IFLab1_005017 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E02 compound treatment 0.252 0.0078 0.39 0.255 0.00687 0.38 0.5386 0.9999 2068108 IFLab1_005018 COc1ccc(OC)c(/C=N/c2sc3CCCc3c2C#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E03 compound treatment 0.249 0.0048 0.24 0.25 0.00187 0.1 0.24 0.9295 1176253 IFLab1_005019 CCOC(=O)C1=C(NC(=O)C(C)(C#N)C21CCCCC2)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E04 compound treatment 0.255 0.0108 0.53 0.256 0.00787 0.43 0.6821 0.9945 2068109 IFLab1_005020 C(Sc1ncn[nH]1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E05 compound treatment 0.252 0.0078 0.39 0.252 0.00387 0.21 0.4223 0.9604 2068110 IFLab1_005021 [O-][n+]1ccc(cc1)C(=O)NCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E06 compound treatment 0.247 0.0028 0.14 0.242 -0.00613 -0.34 -0.14 -0.3851 2068111 IFLab1_005022 FC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E07 compound treatment 0.252 0.0078 0.39 0.254 0.00587 0.32 0.4998 0.996 2068112 IFLab1_005023 O=C(CSc1ncnc2sc(cc12)c3ccccc3)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E08 compound treatment 0.272 0.0278 1.37 0.281 0.0329 1.8 2.245 0.991 1645072 IFLab1_005024 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccccc2F)SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E09 compound treatment 0.255 0.0108 0.53 0.256 0.00787 0.43 0.6821 0.9945 1256364 IFLab1_005025 COCCn1c(C)cc(C(=O)CSc2ccc(Cl)cc2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E10 compound treatment 0.257 0.0128 0.63 0.258 0.00987 0.54 0.8295 0.997 1337342 IFLab1_005026 Fc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E11 compound treatment 0.256 0.0118 0.58 0.25 0.00187 0.1 0.4844 0.8188 2068113 IFLab1_005027 O=C(CSc1nnc2sc3ccccc3n12)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E12 compound treatment 0.262 0.0178 0.88 0.253 0.00487 0.27 0.8102 0.882 1434667 IFLab1_005028 COc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E13 compound treatment 0.256 0.0118 0.58 0.251 0.00287 0.16 0.5232 0.8669 2068114 IFLab1_005029 COC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E14 compound treatment 0.268 0.0238 1.18 0.265 0.0169 0.92 1.485 0.993 1848330 IFLab1_005030 COc1ccc(cc1)C(=O)CSc2nc3CCCc3cc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E15 compound treatment 0.25 0.0058 0.29 0.254 0.00587 0.32 0.43 0.9983 2068115 IFLab1_005031 CCN(CC)c1nnc(Cl)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E16 compound treatment 0.254 0.0098 0.48 0.252 0.00387 0.21 0.4921 0.9314 1353147 IFLab1_005032 COc1ccccc1C(=O)NC2CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E17 compound treatment 0.262 0.0178 0.88 0.262 0.0139 0.76 1.1592 0.9974 2068116 IFLab1_005033 O=C(CSc1nnc2sc3ccccc3n12)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E18 compound treatment 0.292 0.0478 2.36 0.291 0.0429 2.35 3.331 1.0 2068117 IFLab1_005034 COc1ccc(NC2=CC(=O)C=CC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E19 compound treatment 0.257 0.0128 0.63 0.251 0.00287 0.16 0.5581 0.8568 1213918 IFLab1_005035 CC1CCN(CC1)c2nncc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E20 compound treatment 0.252 0.0078 0.39 0.248 -1.33E-4 -0.01 0.2672 0.6936 1546809 IFLab1_005036 CC(C)N1C(=O)C2ON(C(C2C1=O)c3cccs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E21 compound treatment 0.254 0.0098 0.48 0.253 0.00487 0.27 0.5309 0.9606 1630387 IFLab1_005037 OC(=O)CCCC(=O)Nc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E22 compound treatment 0.253 0.0088 0.43 0.255 0.00687 0.38 0.5735 0.9974 1712984 IFLab1_005038 Cc1nc(SC(C(=O)O)c2ccccc2)cc(n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E23 mock treatment 0.246 0.0018 0.09 0.248 -1.33E-4 -0.01 0.0577 0.6468 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 E24 mock treatment 0.244 -2.0E-4 -0.01 0.248 -1.33E-4 -0.01 -0.0122 -0.989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F01 compound treatment 0.252 0.0078 0.39 0.244 -0.00413 -0.23 0.1121 0.2509 1218828 IFLab1_005039 CCC(=O)Nc1nc(cs1)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F02 compound treatment 0.263 0.0188 0.93 0.269 0.0209 1.14 1.4655 0.9946 1676002 IFLab1_005040 COC(=O)c1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F03 compound treatment 0.259 0.0148 0.73 0.26 0.0119 0.65 0.9769 0.9983 1347641 IFLab1_005041 OCCCc1nc2ccccc2n1Cc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F04 compound treatment 0.25 0.0058 0.29 0.25 0.00187 0.1 0.2749 0.9038 1653668 IFLab1_005042 COc1ccc(OC)c(c1)S(=O)(=O)Nc2cnc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F05 compound treatment 0.252 0.0078 0.39 0.254 0.00587 0.32 0.4998 0.996 1266158 IFLab1_005043 COc1ccccc1OCc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F06 compound treatment 0.286 0.0418 2.06 0.291 0.0429 2.35 3.1215 0.9979 2068118 IFLab1_005044 Cc1nnc2SCC(=Nn12)Nc3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F07 compound treatment 0.252 0.0078 0.39 0.258 0.00987 0.54 0.6549 0.9861 1259496 IFLab1_005045 Cc1[nH]c2ccccc2c1C(N3CCC(CC3)C(=O)N)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F08 compound treatment 0.264 0.0198 0.98 0.271 0.0229 1.25 1.5779 0.9924 2068119 IFLab1_005046 CCC1=N/C(=C\c2ccc(Br)cc2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F09 compound treatment 0.259 0.0148 0.73 0.255 0.00687 0.38 0.783 0.9524 2068120 IFLab1_005047 CC(=C)Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F10 compound treatment 0.255 0.0108 0.53 0.261 0.0129 0.71 0.876 0.9905 2068121 IFLab1_005048 Cc1ccc(cc1)C(=O)N/C(=C\c2ccco2)/C(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F11 compound treatment 0.255 0.0108 0.53 0.248 -1.33E-4 -0.01 0.3719 0.6973 2068122 IFLab1_005049 OC(=O)CSc1nnc(c2ccc(Cl)cc2Cl)n1Cc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F12 compound treatment 0.259 0.0148 0.73 0.254 0.00587 0.32 0.7442 0.932 1443992 IFLab1_005050 O=C(CSc1nnc(o1)c2ccncc2)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F13 compound treatment 0.258 0.0138 0.68 0.26 0.0119 0.65 0.9419 0.9997 2068123 IFLab1_005051 CS(=O)(=O)N1CCSC1c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F14 compound treatment 0.258 0.0138 0.68 0.254 0.00587 0.32 0.7093 0.9413 1714206 IFLab1_005052 OC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F15 compound treatment 0.261 0.0168 0.83 0.258 0.00987 0.54 0.9692 0.9785 1277792 IFLab1_005053 C[N+]1(CC(O)COc2ccc(Br)cc2)CCCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F16 compound treatment 0.295 0.0508 2.51 0.288 0.0399 2.19 3.3195 0.9976 1396458 IFLab1_005054 Cc1cc(C)c(cc1C)S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F17 compound treatment 0.267 0.0228 1.13 0.265 0.0169 0.92 1.4501 0.9952 1482477 IFLab1_005055 O=S(=O)(N1CCN(CC1)c2ccccn2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F18 compound treatment 0.275 0.0308 1.52 0.251 0.00287 0.16 1.1866 0.776 1606813 IFLab1_005056 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccc(cc3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F19 compound treatment 0.245 8.0E-4 0.04 0.255 0.00687 0.38 0.2942 0.777 2068124 IFLab1_005057 CN(C)S(=O)(=O)n1c(C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F20 compound treatment 0.278 0.0338 1.67 0.265 0.0169 0.92 1.8342 0.9612 1446334 IFLab1_005058 CCCCN1C(=O)C2ON(C(C2C1=O)c3cc(Br)ccc3O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F21 compound treatment 0.27 0.0258 1.27 0.268 0.0199 1.09 1.6711 0.997 2068125 IFLab1_005059 Cc1nc(cs1)/C(=N\O)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F22 compound treatment 0.255 0.0108 0.53 0.256 0.00787 0.43 0.6821 0.9945 2068126 IFLab1_005060 CCc1ccc(NC(=O)CC(NCC2CCCO2)C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F23 mock treatment 0.252 0.0078 0.39 0.263 0.0149 0.82 0.8487 0.9414 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 F24 mock treatment 0.254 0.0098 0.48 0.25 0.00187 0.1 0.4146 0.8381 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G01 compound treatment 0.243 -0.0012 -0.06 0.246 -0.00213 -0.12 -0.1246 -0.9503 1394739 IFLab1_005061 NC(=O)c1sc2nc3CCCC(=O)c3cc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G02 compound treatment 0.252 0.0078 0.39 0.25 0.00187 0.1 0.3447 0.865 1739828 IFLab1_005062 Oc1ccccc1NC(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G03 compound treatment 0.253 0.0088 0.43 0.256 0.00787 0.43 0.6123 1.0 1309366 IFLab1_005063 Cc1nc2sc(C(=O)N)c(N)c2c(c3ccccc3)c1C(=O)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G04 compound treatment 0.255 0.0108 0.53 0.256 0.00787 0.43 0.6821 0.9945 2068127 IFLab1_005064 C(Oc1ccccc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G05 compound treatment 0.245 8.0E-4 0.04 0.239 -0.00913 -0.5 -0.3262 -0.6493 1738161 IFLab1_005065 COc1ccccc1NC(=O)c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G06 compound treatment 0.287 0.0428 2.11 0.28 0.0319 1.75 2.73 0.9955 1125229 IFLab1_005066 Clc1ccc(cc1)C2=CC(c3ccco3)n4ncnc4N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G07 compound treatment 0.249 0.0048 0.24 0.252 0.00387 0.21 0.3175 0.9985 1480927 IFLab1_005067 OC(=O)C(Cc1ccccc1)NC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G08 compound treatment 0.256 0.0118 0.58 0.252 0.00387 0.21 0.5619 0.9063 1631224 IFLab1_005068 CCOc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G09 compound treatment 0.25 0.0058 0.29 0.252 0.00387 0.21 0.3524 0.989 1258870 IFLab1_005069 O=C(CCN1CCCC1)Nc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G10 compound treatment 0.27 0.0258 1.27 0.261 0.0129 0.71 1.3997 0.9611 1121089 IFLab1_005070 Fc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3ccc(F)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G11 compound treatment 0.304 0.0598 2.95 0.307 0.0589 3.23 4.3704 0.999 2068128 IFLab1_005071 S=c1[nH]cnc2sc(cc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G12 compound treatment 0.276 0.0318 1.57 0.26 0.0119 0.65 1.5705 0.9239 1443171 IFLab1_005072 Cc1ccc(NC(=O)CSc2nc3CC(C)(C)CC(=O)c3cc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G13 compound treatment 0.253 0.0088 0.43 0.252 0.00387 0.21 0.4572 0.9456 1399296 IFLab1_005073 COC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G14 compound treatment 0.264 0.0198 0.98 0.264 0.0159 0.87 1.3065 0.9983 1308667 IFLab1_005074 NC(=O)c1sc2nc3CCCCc3cc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G15 compound treatment 0.254 0.0098 0.48 0.246 -0.00213 -0.12 0.2595 0.5212 2068129 IFLab1_005075 Cc1ccc(C)n1c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G16 compound treatment 0.251 0.0068 0.34 0.25 0.00187 0.1 0.3098 0.8825 1462613 IFLab1_005076 COc1ccc(NC2CS(=O)(=O)CC2NCc3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G17 compound treatment 0.276 0.0318 1.57 0.271 0.0229 1.25 1.9969 0.9938 1717975 IFLab1_005077 Cc1sc2ncnc(NCCc3ccc4OCCOc4c3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G18 compound treatment 0.255 0.0108 0.53 0.263 0.0149 0.82 0.9535 0.9789 1468470 IFLab1_005078 Nc1nc(NS(=O)(=O)c2ccccc2)ns1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G19 compound treatment 0.254 0.0098 0.48 0.251 0.00287 0.16 0.4533 0.891 2068130 IFLab1_005079 COc1cc(cc(OC)c1OC)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G20 compound treatment 0.267 0.0228 1.13 0.264 0.0159 0.87 1.4113 0.9919 2068131 IFLab1_005080 CNC(=O)CC1Sc2ccc(cc2NC1=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G21 compound treatment 0.251 0.0068 0.34 0.253 0.00487 0.27 0.4261 0.9935 2068132 IFLab1_005081 Cc1sc(/N=C\c2ccccc2Cl)c(C#N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G22 compound treatment 0.246 0.0018 0.09 0.246 -0.00213 -0.12 -0.0199 -0.1352 1338036 IFLab1_005082 OC(=O)CSC(=S)Nc1cccnc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G23 mock treatment 0.253 0.0088 0.43 0.257 0.00887 0.49 0.651 0.9984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 G24 mock treatment 0.242 -0.0022 -0.11 0.234 -0.0141 -0.77 -0.6248 -0.7984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H01 compound treatment 0.286 0.0418 2.06 0.291 0.0429 2.35 3.1215 0.9979 1428215 IFLab1_005083 CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H02 compound treatment 0.25 0.0058 0.29 0.251 0.00287 0.16 0.3137 0.9601 1279006 IFLab1_005084 COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H03 compound treatment 0.252 0.0078 0.39 0.249 8.67E-4 0.05 0.306 0.7884 1338644 IFLab1_005085 C=CCn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H04 compound treatment 0.245 8.0E-4 0.04 0.251 0.00287 0.16 0.1391 0.8581 1160276 IFLab1_005086 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H05 compound treatment 0.257 0.0128 0.63 0.245 -0.00313 -0.17 0.3255 0.4969 1191645 IFLab1_005087 COc1ccc(cc1)C(=O)c2nccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H06 compound treatment 0.259 0.0148 0.73 0.261 0.0129 0.71 1.0156 0.9998 2068133 IFLab1_005088 Clc1ccc(NC2=Nn3cnnc3SC2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H07 compound treatment 0.253 0.0088 0.43 0.254 0.00587 0.32 0.5347 0.989 1557422 IFLab1_005089 COc1ccc(cc1)C(N2CCCC2)c3c(C)[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H08 compound treatment 0.259 0.0148 0.73 0.253 0.00487 0.27 0.7055 0.9067 2068134 IFLab1_005090 CCC1=N/C(=C\c2ccc(C)cc2)/C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H09 compound treatment 0.248 0.0038 0.19 0.258 0.00987 0.54 0.5152 0.8998 2068135 IFLab1_005091 Brc1ccc(cc1)c2nnc3sc(nn23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H10 compound treatment 0.256 0.0118 0.58 0.247 -0.00113 -0.06 0.3681 0.6281 2068136 IFLab1_005092 Cc1ccc(cc1)C(=O)N/C(=C\c2ccco2)/C(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H11 compound treatment 0.251 0.0068 0.34 0.253 0.00487 0.27 0.4261 0.9935 2068137 IFLab1_005093 Cc1cccc(Cn2cnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H12 compound treatment 0.248 0.0038 0.19 0.251 0.00287 0.16 0.2438 0.9961 1261610 IFLab1_005094 NS(=O)(=O)c1ccc(cc1)N2C(=O)C3C4CC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H13 compound treatment 0.243 -0.0012 -0.06 0.252 0.00387 0.21 0.108 0.4907 1525872 IFLab1_005095 CS(=O)(=O)N1CCSC1c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H14 compound treatment 0.248 0.0038 0.19 0.247 -0.00113 -0.06 0.0887 0.449 1727653 IFLab1_005096 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(O)c(c2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H15 compound treatment 0.257 0.0128 0.63 0.252 0.00387 0.21 0.5969 0.8953 2068138 IFLab1_005097 CCn1c(SCC(=O)c2ccccc2)nnc1c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H16 compound treatment 0.252 0.0078 0.39 0.252 0.00387 0.21 0.4223 0.9604 1719595 IFLab1_005098 Cc1cccc(NS(=O)(=O)c2cccs2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H17 compound treatment 0.287 0.0428 2.11 0.277 0.0289 1.58 2.6137 0.9898 1683592 IFLab1_005099 O=C1OCCC1Sc2nc3sc4CCCc4c3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H18 compound treatment 0.306 0.0618 3.05 0.289 0.0409 2.24 3.7423 0.9885 1873822 IFLab1_005100 CNC1=C(C(=O)c2ccccc2C1=O)n3nnc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H19 compound treatment 0.253 0.0088 0.43 0.259 0.0109 0.6 0.7286 0.988 2068139 IFLab1_005101 CN(C)S(=O)(=O)n1nc(C)c(Br)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H20 compound treatment 0.253 0.0088 0.43 0.243 -0.00513 -0.28 0.1083 0.2091 2068140 IFLab1_005102 Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H21 compound treatment 0.259 0.0148 0.73 0.262 0.0139 0.76 1.0544 0.9998 1234567 IFLab1_005103 CCOC(=O)N1CCN(CC(O)COc2ccc(cc2)c3ccccc3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H22 compound treatment 0.254 0.0098 0.48 0.252 0.00387 0.21 0.4921 0.9314 2068141 IFLab1_005104 CCc1ccccc1NC(=O)CC(NCC2CCCO2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H23 mock treatment 0.251 0.0068 0.34 0.249 8.67E-4 0.05 0.271 0.7992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 H24 mock treatment 0.249 0.0048 0.24 0.261 0.0129 0.71 0.6665 0.8955 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I01 compound treatment 0.249 0.0048 0.24 0.251 0.00287 0.16 0.2787 0.9801 1217244 IFLab1_005105 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I02 compound treatment 0.254 0.0098 0.48 0.251 0.00287 0.16 0.4533 0.891 1614490 IFLab1_005106 COc1ccc(cc1)S(=O)(=O)NCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I03 compound treatment 0.252 0.0078 0.39 0.253 0.00487 0.27 0.461 0.9839 1339718 IFLab1_005107 COC(=O)c1sc2nc3CCCc3c(c4ccc(Cl)cc4)c2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I04 compound treatment 0.255 0.0108 0.53 0.256 0.00787 0.43 0.6821 0.9945 2068142 IFLab1_005108 Cc1ccc(OCc2cn3cccnc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I05 compound treatment 0.249 0.0048 0.24 0.249 8.67E-4 0.05 0.2012 0.8323 1309285 IFLab1_005109 COc1cccc(NC(=O)c2ccncc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I06 compound treatment 0.265 0.0208 1.03 0.254 0.00587 0.32 0.9537 0.8861 1485320 IFLab1_005110 O=C1OCCC1Sc2nc3ccccc3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I07 compound treatment 0.257 0.0128 0.63 0.253 0.00487 0.27 0.6356 0.9264 1583959 IFLab1_005111 CC1CCN(CC1)C(=O)CSc2nnc3sc4ccccc4n23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I08 compound treatment 0.272 0.0278 1.37 0.282 0.0339 1.86 2.2837 0.989 1227098 IFLab1_005112 CCOc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I09 compound treatment 0.256 0.0118 0.58 0.252 0.00387 0.21 0.5619 0.9063 2068143 IFLab1_005113 O=C(CSc1nnc2sc3ccccc3n12)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I10 compound treatment 0.3 0.0558 2.76 0.298 0.0499 2.73 3.8818 1.0 1167233 IFLab1_005114 Fc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)N(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I11 compound treatment 0.261 0.0168 0.83 0.256 0.00787 0.43 0.8916 0.9536 2068144 IFLab1_005115 Cc1nc(Cl)c2cc(sc2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I12 compound treatment 0.265 0.0208 1.03 0.258 0.00987 0.54 1.1088 0.9552 2068145 IFLab1_005116 CCSc1nc2CCCC(=O)c2cc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I13 compound treatment 0.268 0.0238 1.18 0.264 0.0159 0.87 1.4462 0.989 1322641 IFLab1_005117 Cc1nc(NCc2ccco2)c3c4CCCc4sc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I14 compound treatment 0.249 0.0048 0.24 0.253 0.00487 0.27 0.3563 0.9983 1292254 IFLab1_005118 OC(=O)CCN1C(=O)C2CC=CCC2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I15 compound treatment 0.256 0.0118 0.58 0.253 0.00487 0.27 0.6007 0.9373 2068146 IFLab1_005119 O=C(CSc1nnc2sc3ccccc3n12)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I16 compound treatment 0.257 0.0128 0.63 0.25 0.00187 0.1 0.5193 0.811 1167564 IFLab1_005120 COc1cccc(c1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I17 compound treatment 0.259 0.0148 0.73 0.263 0.0149 0.82 1.0932 0.9985 1709494 IFLab1_005121 OC(=O)C(Cc1ccccc1)NS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I18 compound treatment 0.262 0.0178 0.88 0.255 0.00687 0.38 0.8878 0.9284 1558129 IFLab1_005122 CC1(C)CC(=O)C=C(C1)NCCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I19 compound treatment 0.253 0.0088 0.43 0.247 -0.00113 -0.06 0.2633 0.5999 2068147 IFLab1_005123 OC(=O)C(Cc1ccccc1)NS(=O)(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I20 compound treatment 0.25 0.0058 0.29 0.257 0.00887 0.49 0.5463 0.9682 1568157 IFLab1_005124 Cc1onc(c1C(=O)NC2CCSC2=O)c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I21 compound treatment 0.254 0.0098 0.48 0.258 0.00987 0.54 0.7247 0.9985 1387264 IFLab1_005125 OC(=O)c1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I22 compound treatment 0.26 0.0158 0.78 0.257 0.00887 0.49 0.8955 0.9741 1382446 IFLab1_005126 COC(=O)Cn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I23 mock treatment 0.251 0.0068 0.34 0.255 0.00687 0.38 0.5037 0.9984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 I24 mock treatment 0.238 -0.0062 -0.31 0.259 0.0109 0.6 0.2048 0.3058 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J01 compound treatment 0.24 -0.0042 -0.21 0.239 -0.00913 -0.5 -0.5008 -0.9239 1461808 IFLab1_005127 CC(C)(C)C(=O)Nc1nc(COc2ccccc2)cs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J02 compound treatment 0.248 0.0038 0.19 0.243 -0.00513 -0.28 -0.0663 -0.1961 1562921 IFLab1_005128 COC(=O)c1ccc(OCC(O)CN2C(C)CCCC2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J03 compound treatment 0.251 0.0068 0.34 0.255 0.00687 0.38 0.5037 0.9984 1570310 IFLab1_005129 CC(C)n1c(nc2ccccc12)c3ccc(cc3)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J04 compound treatment 0.25 0.0058 0.29 0.25 0.00187 0.1 0.2749 0.9038 1422437 IFLab1_005130 COc1ccc(OC)c(c1)S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J05 compound treatment 0.295 0.0508 2.51 0.279 0.0309 1.69 2.9705 0.9816 1611204 IFLab1_005131 OCc1nc(c2ccccc2)n3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J06 compound treatment 0.253 0.0088 0.43 0.249 8.67E-4 0.05 0.3409 0.7798 2068148 IFLab1_005132 C(Sc1ccccc1)c2nnc3CCCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J07 compound treatment 0.452 0.208 10.26 0.443 0.195 10.68 14.811 0.9998 2068149 IFLab1_005133 O=C/1NC(=S)S\C1=C/c2cn(CCC#N)nc2c3cccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J08 compound treatment 0.257 0.0128 0.63 0.258 0.00987 0.54 0.8295 0.997 2068150 IFLab1_005134 CCn1c(SCC=C)nnc1c2nnc(SCC=C)n2CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J09 compound treatment 0.254 0.0098 0.48 0.265 0.0169 0.92 0.9961 0.9544 1657953 IFLab1_005135 Brc1ccc(o1)c2nn3c(Cc4ccccc4)nnc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J10 compound treatment 0.255 0.0108 0.53 0.25 0.00187 0.1 0.4495 0.8277 1610795 IFLab1_005136 CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccco3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J11 compound treatment 0.253 0.0088 0.43 0.25 0.00187 0.1 0.3796 0.8504 1654477 IFLab1_005137 COCc1nc2ccccc2n1Cc3ccccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J12 compound treatment 0.255 0.0108 0.53 0.251 0.00287 0.16 0.4883 0.8782 2068151 IFLab1_005138 CC(C)C(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J13 compound treatment 0.251 0.0068 0.34 0.247 -0.00113 -0.06 0.1935 0.5666 1597313 IFLab1_005139 CS(=O)(=O)N1CCSC1c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J14 compound treatment 0.249 0.0048 0.24 0.247 -0.00113 -0.06 0.1237 0.5047 1188701 IFLab1_005140 OC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J15 compound treatment 0.251 0.0068 0.34 0.249 8.67E-4 0.05 0.271 0.7992 1570777 IFLab1_005141 CCCS(=O)(=O)N1CCN(CC1)c2ccc(OC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J16 compound treatment 0.283 0.0388 1.92 0.279 0.0309 1.69 2.5515 0.9981 2068152 IFLab1_005142 Oc1ccc(NS(=O)(=O)c2cccs2)cc1Sc3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J17 compound treatment 0.26 0.0158 0.78 0.263 0.0149 0.82 1.1281 0.9998 1270070 IFLab1_005143 OC(=O)C(CSc1ncccn1)CSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J18 compound treatment 0.313 0.0688 3.4 0.311 0.0629 3.45 4.8397 1.0 2068153 IFLab1_005144 CC(C)(C)NC1=C(C(=O)c2ccccc2C1=O)n3nnc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J19 compound treatment 0.247 0.0028 0.14 0.252 0.00387 0.21 0.2477 0.9786 1203811 IFLab1_005145 O=S(=O)(N1CCOCC1)n2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J20 compound treatment 0.242 -0.0022 -0.11 0.25 0.00187 0.1 -0.0044 -0.0298 1711842 IFLab1_005146 CCCCN1C(=O)C2ON(C(C2C1=O)c3ccco3)c4ccccc4C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J21 compound treatment 0.258 0.0138 0.68 0.263 0.0149 0.82 1.0583 0.996 1201405 IFLab1_005147 CCN1CCN(CC(O)COc2ccc(cc2)c3ccccc3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J22 compound treatment 0.249 0.0048 0.24 0.252 0.00387 0.21 0.3175 0.9985 2068154 IFLab1_005148 CN(C)C(CC(=O)Nc1ccc(O)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J23 mock treatment 0.25 0.0058 0.29 0.249 8.67E-4 0.05 0.2361 0.8133 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 J24 mock treatment 0.243 -0.0012 -0.06 0.253 0.00487 0.27 0.1468 0.537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K01 compound treatment 0.234 -0.0102 -0.5 0.249 8.67E-4 0.05 -0.3226 -0.6376 1253348 IFLab1_005149 Clc1cccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K02 compound treatment 0.254 0.0098 0.48 0.252 0.00387 0.21 0.4921 0.9314 1922360 IFLab1_005150 O=C(Oc1ccc2ccccc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K03 compound treatment 0.265 0.0208 1.03 0.263 0.0149 0.82 1.3027 0.9934 2068155 IFLab1_005151 c1ccc(nc1)c2ccc(nc2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K04 compound treatment 0.262 0.0178 0.88 0.258 0.00987 0.54 1.0041 0.9728 1299905 IFLab1_005152 COc1ccc(OCc2cn3cccnc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K05 compound treatment 0.271 0.0268 1.32 0.249 8.67E-4 0.05 0.9694 0.732 1731573 IFLab1_005153 Cn1c(Cc2ccccc2C(=O)O)nc(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K06 compound treatment 0.248 0.0038 0.19 0.254 0.00587 0.32 0.3601 0.9671 2068156 IFLab1_005154 ONC(=O)c1ccc(cc1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K07 compound treatment 0.274 0.0298 1.47 0.275 0.0269 1.47 2.0822 1.0 2068157 IFLab1_005155 Cc1[nH]c2ccccc2c1C(=O)CSc3nc(C)cc(C)c3C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K08 compound treatment 0.269 0.0248 1.22 0.272 0.0239 1.31 1.7913 0.9995 2068158 IFLab1_005156 CC(=O)Nc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K09 compound treatment 0.247 0.0028 0.14 0.25 0.00187 0.1 0.1701 0.989 1523217 IFLab1_005157 CC(=O)Nc1ccc(OCc2c(C)noc2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K10 compound treatment 0.264 0.0198 0.98 0.264 0.0159 0.87 1.3065 0.9983 1447953 IFLab1_005158 COC(=O)C1=C(C)NC(=C(C#N)C1c2ccccc2F)SCC(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K11 compound treatment 0.239 -0.0052 -0.26 0.245 -0.00313 -0.17 -0.3031 -0.9809 1493305 IFLab1_005159 COc1cc(CC=C)ccc1Oc2ncnc3sc(C)c(C)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K12 compound treatment 0.256 0.0118 0.58 0.255 0.00687 0.38 0.6783 0.9777 1190410 IFLab1_005160 NC(=O)CSc1nc2CCCC(=O)c2cc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K13 compound treatment 0.256 0.0118 0.58 0.247 -0.00113 -0.06 0.3681 0.6281 2068159 IFLab1_005161 Cc1sc2ncnc(SCc3ccco3)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K14 compound treatment 0.251 0.0068 0.34 0.256 0.00787 0.43 0.5424 0.9923 1291239 IFLab1_005162 OC(=O)c1cccc(c1)N2C(=O)C3CC=CCC3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K15 compound treatment 0.249 0.0048 0.24 0.246 -0.00213 -0.12 0.0849 0.3212 1446192 IFLab1_005163 COc1ccccc1Oc2ncnc3sc(cc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K16 compound treatment 0.298 0.0538 2.66 0.295 0.0469 2.57 3.6956 0.9999 1150502 IFLab1_005164 NC(=O)Cc1nc(cs1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K17 compound treatment 0.295 0.0508 2.51 0.283 0.0349 1.91 3.1256 0.991 1725286 IFLab1_005165 C(Nc1nnc(c2cccs2)c3ccccc13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K18 compound treatment 0.27 0.0258 1.27 0.272 0.0239 1.31 1.8262 0.9999 2068160 IFLab1_005166 Oc1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K19 compound treatment 0.267 0.0228 1.13 0.268 0.0199 1.09 1.5664 0.9999 1568400 IFLab1_005167 COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)scc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K20 compound treatment 0.255 0.0108 0.53 0.248 -1.33E-4 -0.01 0.3719 0.6973 1538826 IFLab1_005168 CC1CN(CC(C)O1)C(=O)c2cc3c(C)nn(c4ccccc4)c3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K21 compound treatment 0.246 0.0018 0.09 0.247 -0.00113 -0.06 0.0189 0.1744 1058262 IFLab1_005169 O=C(NCc1ccccc1)c2ccc(cc2)C(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K22 compound treatment 0.253 0.0088 0.43 0.257 0.00887 0.49 0.651 0.9984 1631849 IFLab1_005170 Oc1cccc(c1)N2C(=O)C3CC=CCC3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K23 mock treatment 0.251 0.0068 0.34 0.25 0.00187 0.1 0.3098 0.8825 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 K24 mock treatment 0.241 -0.0032 -0.16 0.256 0.00787 0.43 0.1933 0.4207 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L01 compound treatment 0.242 -0.0022 -0.11 0.247 -0.00113 -0.06 -0.1208 -0.9649 1672084 IFLab1_005171 CC(C)(C)C(=O)NCC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L02 compound treatment 0.253 0.0088 0.43 0.254 0.00587 0.32 0.5347 0.989 1326538 IFLab1_005172 COC(=O)c1ccc(OCC(O)CN2CC(C)CC(C)C2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L03 compound treatment 0.253 0.0088 0.43 0.252 0.00387 0.21 0.4572 0.9456 2068161 IFLab1_005173 CC(=C)CSCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L04 compound treatment 0.263 0.0188 0.93 0.25 0.00187 0.1 0.7288 0.7803 2068162 IFLab1_005174 Fc1ccc(Cn2cnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L05 compound treatment 0.262 0.0178 0.88 0.254 0.00587 0.32 0.849 0.907 1595692 IFLab1_005175 OC(=O)CCn1c(cc2C(=O)CCCc21)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L06 compound treatment 0.26 0.0158 0.78 0.262 0.0139 0.76 1.0893 0.9999 2068163 IFLab1_005176 Cc1ccc(cc1)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L07 compound treatment 0.249 0.0048 0.24 0.253 0.00487 0.27 0.3563 0.9983 1438323 IFLab1_005177 Cc1ccc(cc1)c2nn(CCC#N)cc2CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L08 compound treatment 0.295 0.0508 2.51 0.289 0.0409 2.24 3.3583 0.9984 1379123 IFLab1_005178 Clc1cccc(c1)N2CCN(CC2)S(=O)(=O)c3cccc4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L09 compound treatment 0.304 0.0598 2.95 0.309 0.0609 3.34 4.4479 0.9981 2068164 IFLab1_005179 Brc1ccccc1c2nnc3sc(nn23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L10 compound treatment 0.255 0.0108 0.53 0.249 8.67E-4 0.05 0.4107 0.7671 1415537 IFLab1_005180 CN(C)CCCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L11 compound treatment 0.254 0.0098 0.48 0.253 0.00487 0.27 0.5309 0.9606 1282291 IFLab1_005181 Cc1cccc(Cn2c(CO)nc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L12 compound treatment 0.251 0.0068 0.34 0.25 0.00187 0.1 0.3098 0.8825 2068165 IFLab1_005182 OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)C4CC=CCC4C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L13 compound treatment 0.257 0.0128 0.63 0.255 0.00687 0.38 0.7132 0.9694 2068166 IFLab1_005183 COc1ccc(cc1Br)C2SCCN2S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L14 compound treatment 0.255 0.0108 0.53 0.257 0.00887 0.49 0.7209 0.9989 2068167 IFLab1_005184 Oc1ccc(NS(=O)(=O)c2cccs2)cc1c3c(O)ccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L15 compound treatment 0.25 0.0058 0.29 0.254 0.00587 0.32 0.43 0.9983 1298159 IFLab1_005185 CCCS(=O)(=O)N1CCN(CC1)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L16 compound treatment 0.259 0.0148 0.73 0.252 0.00387 0.21 0.6667 0.8761 2068168 IFLab1_005186 O=C1C=CC(=NS(=O)(=O)c2cccs2)C=C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L17 compound treatment 0.271 0.0268 1.32 0.273 0.0249 1.36 1.8999 0.9999 1504417 IFLab1_005187 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CNCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L18 compound treatment 0.25 0.0058 0.29 0.254 0.00587 0.32 0.43 0.9983 1328135 IFLab1_005188 O=C(C1Cc2ccccc2CN1S(=O)(=O)c3cccs3)N4CCCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L19 compound treatment 0.271 0.0268 1.32 0.271 0.0229 1.25 1.8224 0.9996 2068169 IFLab1_005189 C/C(=N\O)/c1ccc2c(c1)n(C)c3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L20 compound treatment 0.251 0.0068 0.34 0.251 0.00287 0.16 0.3486 0.9402 1508288 IFLab1_005190 O=C1NC(=O)C2C(N(OC21)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L21 compound treatment 0.291 0.0468 2.31 0.288 0.0399 2.19 3.1798 0.9996 1173425 IFLab1_005191 COc1ccc(cc1)N2CCN(CC(O)COc3ccc(cc3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L22 compound treatment 0.246 0.0018 0.09 0.251 0.00287 0.16 0.174 0.9636 2068170 IFLab1_005192 Cc1ccc(NC(=O)CC(NCCC2=CCCCC2)C(=O)O)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L23 mock treatment 0.257 0.0128 0.63 0.255 0.00687 0.38 0.7132 0.9694 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 L24 mock treatment 0.25 0.0058 0.29 0.253 0.00487 0.27 0.3912 0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M01 compound treatment 0.235 -0.0092 -0.45 0.237 -0.0111 -0.61 -0.7529 -0.9894 2068171 IFLab1_005193 CC1(C)CC(=O)C(=CNc2ccc(F)c(F)c2)C(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M02 compound treatment 0.249 0.0048 0.24 0.248 -1.33E-4 -0.01 0.1624 0.685 1453382 IFLab1_005194 COc1ccc(OC)c(c1)S(=O)(=O)n2ccnc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M03 compound treatment 0.26 0.0158 0.78 0.248 -1.33E-4 -0.01 0.5465 0.7005 2068172 IFLab1_005195 OC(=O)CSc1nnc(c2cccs2)n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M04 compound treatment 0.262 0.0178 0.88 0.263 0.0149 0.82 1.1979 0.9993 1656648 IFLab1_005196 Cc1cc(OCc2cn3cccnc3n2)ccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M05 compound treatment 0.257 0.0128 0.63 0.248 -1.33E-4 -0.01 0.4418 0.6989 1134171 IFLab1_005197 COC(=O)c1ccccc1Cc2nc(=O)c3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M06 compound treatment 0.257 0.0128 0.63 0.251 0.00287 0.16 0.5581 0.8568 2068173 IFLab1_005198 ONC(=O)c1ccccc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M07 compound treatment 0.319 0.0748 3.69 0.305 0.0569 3.12 4.8166 0.9964 1336083 IFLab1_005199 Cc1cc(N)n(n1)c2ncnc3sc4CCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M08 compound treatment 0.289 0.0448 2.21 0.287 0.0389 2.13 3.0712 0.9998 2068174 IFLab1_005200 COc1cc(NC=C2C(=O)CC(C)(C)CC2=O)c(OC)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M09 compound treatment 0.271 0.0268 1.32 0.268 0.0199 1.09 1.706 0.9953 2068175 IFLab1_005201 CCOC(=O)c1cnn(c1N)c2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M10 compound treatment 0.26 0.0158 0.78 0.251 0.00287 0.16 0.6628 0.8328 2068176 IFLab1_005202 Fc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M11 compound treatment 0.251 0.0068 0.34 0.255 0.00687 0.38 0.5037 0.9984 1492077 IFLab1_005203 CC1CN(CC(C)O1)S(=O)(=O)c2c(C)c(C)cc(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M12 compound treatment 0.254 0.0098 0.48 0.255 0.00687 0.38 0.6084 0.9923 1200931 IFLab1_005204 Clc1ccc(CSc2nc3CCCC(=O)c3cc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M13 compound treatment 0.274 0.0298 1.47 0.261 0.0129 0.71 1.5394 0.9433 1284362 IFLab1_005205 CCOC(=O)c1nn(cc1O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M14 compound treatment 0.273 0.0288 1.42 0.266 0.0179 0.98 1.6983 0.9834 1334392 IFLab1_005206 Cc1oc2ccc(OCc3cccc(F)c3)cc2c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M15 compound treatment 0.25 0.0058 0.29 0.253 0.00487 0.27 0.3912 0.9994 2068177 IFLab1_005207 Cc1sc2ncn(n3cccc3)c(=O)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M16 compound treatment 0.249 0.0048 0.24 0.252 0.00387 0.21 0.3175 0.9985 1013035 IFLab1_005208 O=S(=O)(Nc1ccccc1)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M17 compound treatment 0.268 0.0238 1.18 0.264 0.0159 0.87 1.4462 0.989 1517837 IFLab1_005209 Cc1nc2scc(c3cccs3)c2c(=O)n1n4cccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M18 compound treatment 0.263 0.0188 0.93 0.255 0.00687 0.38 0.9227 0.921 1197592 IFLab1_005210 OC(=O)c1ccccc1SC2CC(=O)NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M19 compound treatment 0.249 0.0048 0.24 0.258 0.00987 0.54 0.5501 0.9314 1657419 IFLab1_005211 COc1cc(cc(OC)c1OC)c2nc3sc4CCCCc4c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M20 compound treatment 0.263 0.0188 0.93 0.262 0.0139 0.76 1.1941 0.9951 1188518 IFLab1_005212 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M21 compound treatment 0.253 0.0088 0.43 0.254 0.00587 0.32 0.5347 0.989 2068178 IFLab1_005213 N#Cc1c(/N=C/c2cccs2)sc3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M22 compound treatment 0.248 0.0038 0.19 0.25 0.00187 0.1 0.2051 0.9594 2068179 IFLab1_005214 C(Sc1nnc(o1)c2ccncc2)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M23 mock treatment 0.249 0.0048 0.24 0.253 0.00487 0.27 0.3563 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 M24 mock treatment 0.243 -0.0012 -0.06 0.25 0.00187 0.1 0.0305 0.2576 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N01 compound treatment 0.226 -0.0182 -0.9 0.232 -0.0161 -0.88 -1.261 -1.0 1500866 IFLab1_005215 CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)n2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N02 compound treatment 0.252 0.0078 0.39 0.248 -1.33E-4 -0.01 0.2672 0.6936 1253630 IFLab1_005216 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)Nc4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N03 compound treatment 0.262 0.0178 0.88 0.249 8.67E-4 0.05 0.6551 0.7442 1287593 IFLab1_005217 Oc1cccc(c1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N04 compound treatment 0.25 0.0058 0.29 0.245 -0.00313 -0.17 0.081 0.2427 1370978 IFLab1_005218 CC(O)c1nc2ccccc2n1CCC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N05 compound treatment 0.262 0.0178 0.88 0.254 0.00587 0.32 0.849 0.907 1740639 IFLab1_005219 Cc1[nH]c2ccccc2c1Sc3ccccc3N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N06 compound treatment 0.253 0.0088 0.43 0.256 0.00787 0.43 0.6123 1.0 2068180 IFLab1_005220 COc1ccc(cc1)C2Nn3c(C)nnc3SC2C(=O)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N07 compound treatment 0.253 0.0088 0.43 0.247 -0.00113 -0.06 0.2633 0.5999 1304164 IFLab1_005221 CCN(CC)C(=O)c1cn(nc1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N08 compound treatment 0.294 0.0498 2.46 0.289 0.0409 2.24 3.3233 0.9989 2068181 IFLab1_005222 Cn1c(COc2cccc3cccnc23)nnc1SCC(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N09 compound treatment 0.25 0.0058 0.29 0.256 0.00787 0.43 0.5075 0.9802 2068182 IFLab1_005223 Clc1ccc(cc1)c2nnc3sc(nn23)c4ccc(Br)o4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N10 compound treatment 0.256 0.0118 0.58 0.254 0.00587 0.32 0.6395 0.9608 1264894 IFLab1_005224 OC1=C(C(N(CCN2CCOCC2)C1=O)c3ccc(F)cc3)C(=O)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N11 compound treatment 0.272 0.0278 1.37 0.271 0.0229 1.25 1.8573 0.999 1308561 IFLab1_005225 CC(=O)Nc1cccc(c1)c2cn3c(C)cccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N12 compound treatment 0.25 0.0058 0.29 0.254 0.00587 0.32 0.43 0.9983 1550936 IFLab1_005226 O=c1oc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N13 compound treatment 0.26 0.0158 0.78 0.254 0.00587 0.32 0.7792 0.9232 1731231 IFLab1_005227 CC(C)NCC(O)COc1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N14 compound treatment 0.246 0.0018 0.09 0.245 -0.00313 -0.17 -0.0586 -0.3031 1257153 IFLab1_005228 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N15 compound treatment 0.255 0.0108 0.53 0.251 0.00287 0.16 0.4883 0.8782 2068183 IFLab1_005229 CCn1c(SCC(=O)c2ccccc2)nnc1c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N16 compound treatment 0.255 0.0108 0.53 0.254 0.00587 0.32 0.6046 0.9707 1305541 IFLab1_005230 CN(C(=O)COc1ccccc1)C2(C)CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N17 compound treatment 0.268 0.0238 1.18 0.271 0.0229 1.25 1.7176 0.9995 1720348 IFLab1_005231 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CN4CCN(CCO)CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N18 compound treatment 0.249 0.0048 0.24 0.246 -0.00213 -0.12 0.0849 0.3212 1581419 IFLab1_005232 CC(C)(C)NC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N19 compound treatment 0.265 0.0208 1.03 0.269 0.0209 1.14 1.5353 0.9986 1309428 IFLab1_005233 OC(CNC1CCCC1)Cn2c3ccccc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N20 compound treatment 0.252 0.0078 0.39 0.25 0.00187 0.1 0.3447 0.865 1180231 IFLab1_005234 CCCCN1C(=O)C2ON(C(C2C1=O)c3ccccc3)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N21 compound treatment 0.264 0.0198 0.98 0.263 0.0149 0.82 1.2678 0.9959 1341724 IFLab1_005235 OC(COc1ccc(cc1)c2ccccc2)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N22 compound treatment 0.256 0.0118 0.58 0.253 0.00487 0.27 0.6007 0.9373 2068184 IFLab1_005236 Cc1ccc(C)c(NC(=O)CC(NC2CCCCC2)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N23 mock treatment 0.255 0.0108 0.53 0.252 0.00387 0.21 0.527 0.9183 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 N24 mock treatment 0.242 -0.0022 -0.11 0.254 0.00587 0.32 0.1506 0.4437 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O01 compound treatment 0.222 -0.0222 -1.1 0.217 -0.0311 -1.71 -1.9822 -0.9771 2068185 IFLab1_005237 CCOc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O02 compound treatment 0.258 0.0138 0.68 0.25 0.00187 0.1 0.5542 0.8043 2068186 IFLab1_005238 Clc1ccc(cc1)C(=O)COC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O03 compound treatment 0.246 0.0018 0.09 0.248 -1.33E-4 -0.01 0.0577 0.6468 2068187 IFLab1_005239 Cc1cc(C)n(n1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O04 compound treatment 0.255 0.0108 0.53 0.252 0.00387 0.21 0.527 0.9183 1213491 IFLab1_005240 Brc1ccc(OCc2cn3cccnc3n2)c(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O05 compound treatment 0.251 0.0068 0.34 0.25 0.00187 0.1 0.3098 0.8825 1246967 IFLab1_005241 COc1ccc(cc1)N2C(=O)Cc3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O06 compound treatment 0.25 0.0058 0.29 0.251 0.00287 0.16 0.3137 0.9601 2068188 IFLab1_005242 ONC(=O)c1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O07 compound treatment 0.254 0.0098 0.48 0.25 0.00187 0.1 0.4146 0.8381 1473061 IFLab1_005243 CCN1CCN(CC1)c2nnc(c3ccccc3)c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O08 compound treatment 0.274 0.0298 1.47 0.278 0.0299 1.64 2.1985 0.9986 2068189 IFLab1_005244 O=C(CSC1=C(C#N)C(CC(=O)N1)c2cccs2)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O09 compound treatment 0.26 0.0158 0.78 0.246 -0.00213 -0.12 0.469 0.5945 1692380 IFLab1_005245 O=C(CCN1CCOCC1)Nc2sc3CCCCCc3c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O10 compound treatment 0.255 0.0108 0.53 0.254 0.00587 0.32 0.6046 0.9707 1138453 IFLab1_005246 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O11 compound treatment 0.243 -0.0012 -0.06 0.245 -0.00313 -0.17 -0.1634 -0.899 1583395 IFLab1_005247 CCC(CO)Nc1nc(C)nc2sc3CCCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O12 compound treatment 0.248 0.0038 0.19 0.247 -0.00113 -0.06 0.0887 0.449 1562432 IFLab1_005248 COC(=O)CSc1nc2CCCC(=O)c2cc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O13 compound treatment 0.27 0.0258 1.27 0.255 0.00687 0.38 1.1671 0.8785 1570944 IFLab1_005249 CCOC(=O)c1nn(cc1O)c2ccc(OCC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O14 compound treatment 0.303 0.0588 2.9 0.289 0.0409 2.24 3.6376 0.9918 1568943 IFLab1_005250 CN(C)Cc1c(O)ccc2cc(c3nc4ccccc4o3)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O15 compound treatment 0.241 -0.0032 -0.16 0.24 -0.00813 -0.45 -0.4271 -0.9027 1742097 IFLab1_005251 CC1(C)C2CCC1(CS(=O)(=O)Nc3ccc(F)c(Cl)c3)C(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O16 compound treatment 0.261 0.0168 0.83 0.248 -1.33E-4 -0.01 0.5815 0.7008 1736528 IFLab1_005252 CN(C)C(=O)c1c2CCCCc2nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O17 compound treatment 0.255 0.0108 0.53 0.248 -1.33E-4 -0.01 0.3719 0.6973 2068190 IFLab1_005253 Cc1sc2ncn3nnnc3c2c1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O18 compound treatment 0.256 0.0118 0.58 0.249 8.67E-4 0.05 0.4456 0.7622 1596620 IFLab1_005254 NC(=O)CC1Nc2ccccc2NC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O19 compound treatment 0.244 -2.0E-4 -0.01 0.247 -0.00113 -0.06 -0.0509 -0.8093 2068191 IFLab1_005255 Cc1sc2ncn3cnnc3c2c1c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O20 compound treatment 0.266 0.0218 1.08 0.263 0.0149 0.82 1.3376 0.9906 1363821 IFLab1_005256 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NCCN4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O21 compound treatment 0.24 -0.0042 -0.21 0.239 -0.00913 -0.5 -0.5008 -0.9239 1457538 IFLab1_005257 CC(C)(C)c1ccc(cc1)C(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O22 compound treatment 0.252 0.0078 0.39 0.247 -0.00113 -0.06 0.2284 0.5855 1553347 IFLab1_005258 CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O23 mock treatment 0.247 0.0028 0.14 0.249 8.67E-4 0.05 0.1314 0.8985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 O24 mock treatment 0.223 -0.0212 -1.05 0.234 -0.0141 -0.77 -1.2882 -0.989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P01 compound treatment 0.196 -0.0482 -2.38 0.199 -0.0491 -2.69 -3.588 -0.9981 1639695 IFLab1_005259 CC1=C(C(c2ccccc2F)n3ncnc3N1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P02 compound treatment 0.22 -0.0242 -1.2 0.209 -0.0391 -2.15 -2.3622 -0.9618 1677121 IFLab1_005260 CCCCN1C(=O)C2ON(C(C2C1=O)c3ccc(OC)cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P03 compound treatment 0.24 -0.0042 -0.21 0.232 -0.0161 -0.88 -0.7722 -0.8498 2068192 IFLab1_005261 OC(=O)C1CN(CC=C)C(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P04 compound treatment 0.237 -0.0072 -0.36 0.225 -0.0231 -1.27 -1.1483 -0.8717 1651615 IFLab1_005262 OCc1nc2ccccc2n1CCC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P05 compound treatment 0.261 0.0168 0.83 0.246 -0.00213 -0.12 0.5039 0.6015 1149352 IFLab1_005263 CC(C)(C)N1COc2c(C1)cc(Cl)c3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P06 compound treatment 0.234 -0.0102 -0.5 0.231 -0.0171 -0.94 -1.0204 -0.9573 2068193 IFLab1_005264 Cc1ccc(NC(=O)CSc2nnc([nH]2)c3ccc(Br)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P07 compound treatment 0.25 0.0058 0.29 0.235 -0.0131 -0.72 -0.3067 -0.3957 1327405 IFLab1_005265 O=C(Nc1nccs1)c2cn(nc2c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P08 compound treatment 0.234 -0.0102 -0.5 0.236 -0.0121 -0.67 -0.8266 -0.9906 2068194 IFLab1_005266 OC(=O)CC(Sc1nnc[nH]1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P09 compound treatment 0.228 -0.0162 -0.8 0.222 -0.0261 -1.43 -1.5789 -0.9621 2068195 IFLab1_005267 Brc1ccc(cc1)c2nn3c(nnc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P10 compound treatment 0.229 -0.0152 -0.75 0.23 -0.0181 -0.99 -1.2338 -0.9904 1670029 IFLab1_005268 COC(=O)CC1N(CCNC1=O)C(=O)c2sc3ccccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P11 compound treatment 0.258 0.0138 0.68 0.251 0.00287 0.16 0.593 0.8479 1739671 IFLab1_005269 CC(=O)Nc1cccc(c1)c2cn3cccc(C)c3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P12 compound treatment 0.228 -0.0162 -0.8 0.231 -0.0171 -0.94 -1.2299 -0.9968 1451858 IFLab1_005270 Cc1ccc(c(C)c1)S(=O)(=O)Nc2ccc3oc(=O)sc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P13 compound treatment 0.238 -0.0062 -0.31 0.24 -0.00813 -0.45 -0.5318 -0.9832 1280369 IFLab1_005271 CC(C)(C)NCC(O)COc1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P14 compound treatment 0.24 -0.0042 -0.21 0.239 -0.00913 -0.5 -0.5008 -0.9239 1431576 IFLab1_005272 O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P15 compound treatment 0.241 -0.0032 -0.16 0.236 -0.0121 -0.67 -0.5822 -0.8514 2068196 IFLab1_005273 Clc1cccc(c1)N2CCN(CC2)S(=O)(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P16 compound treatment 0.245 8.0E-4 0.04 0.222 -0.0261 -1.43 -0.9853 -0.6874 1406246 IFLab1_005274 CN(C1CCS(=O)(=O)C1)C(=O)CSc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P17 compound treatment 0.249 0.0048 0.24 0.25 0.00187 0.1 0.24 0.9295 1689228 IFLab1_005275 Cc1c(C)c2ccccc2n1CC(O)CNC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P18 compound treatment 0.235 -0.0092 -0.45 0.237 -0.0111 -0.61 -0.7529 -0.9894 1602093 IFLab1_005276 CC1(C)CC(=O)C2=C(C1)Nc3nc(O)nc(O)c3C2c4ccc(Br)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P19 compound treatment 0.238 -0.0062 -0.31 0.239 -0.00913 -0.5 -0.5706 -0.9721 1649149 IFLab1_005277 COC(=O)CCc1nc2c(ccc3ccccc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P20 compound treatment 0.249 0.0048 0.24 0.243 -0.00513 -0.28 -0.0314 -0.0854 1654002 IFLab1_005278 NCC(O)COCC1COc2ccccc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P21 compound treatment 0.236 -0.0082 -0.4 0.233 -0.0151 -0.83 -0.8731 -0.9456 2068197 IFLab1_005279 BrCC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P22 compound treatment 0.241 -0.0032 -0.16 0.229 -0.0191 -1.05 -0.8535 -0.8045 2068198 IFLab1_005280 Cc1ccc(NC(=O)CC(NCc2ccco2)C(=O)O)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P23 mock treatment 0.226 -0.0182 -0.9 0.24 -0.00813 -0.45 -0.9508 -0.9477 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1426 P24 mock treatment 0.202 -0.0422 -2.08 0.22 -0.0281 -1.54 -2.5643 -0.989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A01 compound treatment 0.21 -0.0374 -1.85 0.211 -0.0326 -1.79 -2.5687 -0.9999 2068199 IFLab1_005281 [O-]/[N+](=C\c1ccncc1)/c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A02 compound treatment 0.213 -0.0344 -1.7 0.207 -0.0366 -2.01 -2.619 -0.9965 2068200 IFLab1_005282 O=C(Nc1cccc(c1)c2nc3ccccc3s2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A03 compound treatment 0.245 -0.00237 -0.12 0.238 -0.0056 -0.31 -0.2998 -0.9124 1985810 IFLab1_005283 C(Sc1nc2ccccc2[nH]1)Sc3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A04 compound treatment 0.24 -0.00737 -0.36 0.234 -0.0096 -0.53 -0.6294 -0.9837 2068201 IFLab1_005284 O=C(Nc1nc-2c(Cc3ccccc23)s1)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A05 compound treatment 0.231 -0.0164 -0.81 0.224 -0.0196 -1.07 -1.3314 -0.9901 1436032 IFLab1_005285 COc1ccccc1NCC(O)COc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A06 compound treatment 0.236 -0.0114 -0.56 0.239 -0.0046 -0.25 -0.5752 -0.9348 2068202 IFLab1_005286 O=C(Nc1ccc(cc1)c2nc3ccccc3[nH]2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A07 compound treatment 0.238 -0.00937 -0.46 0.224 -0.0196 -1.07 -1.087 -0.9291 1590898 IFLab1_005287 OC(=O)c1ccccc1c2ccccc2C(=O)Nc3nccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A08 compound treatment 0.237 -0.0104 -0.51 0.234 -0.0096 -0.53 -0.7342 -0.9999 2068203 IFLab1_005288 NS(=O)(=O)c1ccc(NC(=O)c2ccc(s2)c3nc4ccccc4s3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A09 compound treatment 0.283 0.0356 1.76 0.282 0.0384 2.11 2.733 0.996 2068204 IFLab1_005289 Cc1ccc(cc1)C2=CSc3nnc(c4ccccc4Br)n3N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A10 compound treatment 0.26 0.0126 0.62 0.254 0.0104 0.57 0.8443 0.999 2068205 IFLab1_005290 Oc1c(CN2CCOCC2)ccc3cccnc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A11 compound treatment 0.248 6.33E-4 0.03 0.239 -0.0046 -0.25 -0.1562 -0.6147 1873703 IFLab1_005291 CC(=O)Nc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A12 compound treatment 0.229 -0.0184 -0.91 0.226 -0.0176 -0.97 -1.3237 -0.9995 2068206 IFLab1_005292 COc1ccc(NC(=O)CSc2nc3ccccc3nc2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A13 compound treatment 0.232 -0.0154 -0.76 0.216 -0.0276 -1.51 -1.6066 -0.949 2068207 IFLab1_005293 CCOc1cccc2sc(=NC(=O)c3ccc(C#N)cc3)n(CC)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A14 compound treatment 0.26 0.0126 0.62 0.26 0.0164 0.9 1.077 0.984 2068208 IFLab1_005294 Cc1ccc2n(CC(O)CNCc3ccccc3)c4C(=O)CCCc4c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A15 compound treatment 0.244 -0.00337 -0.17 0.24 -0.0036 -0.2 -0.2571 -0.9964 2068209 IFLab1_005295 CC(=O)N1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A16 compound treatment 0.243 -0.00437 -0.22 0.241 -0.0026 -0.14 -0.2533 -0.9798 2068210 IFLab1_005296 FC(F)(F)c1cccc(NC2=NC(=O)CS2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A17 compound treatment 0.239 -0.00837 -0.41 0.237 -0.0066 -0.36 -0.548 -0.9978 2068211 IFLab1_005297 COC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A18 compound treatment 0.242 -0.00537 -0.27 0.243 -6.0E-4 -0.03 -0.2107 -0.7888 1511336 IFLab1_005298 CN(C)S(=O)(=O)c1ccc-2c(Cc3cc(ccc32)S(=O)(=O)N(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A19 compound treatment 0.241 -0.00637 -0.31 0.228 -0.0156 -0.86 -0.8271 -0.9076 2068212 IFLab1_005299 CC(=O)Nc1nc(cs1)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A20 compound treatment 0.232 -0.0154 -0.76 0.239 -0.0046 -0.25 -0.7149 -0.894 1245578 IFLab1_005300 CC1CN(CC(C)O1)C(=O)c2cccc3C(=O)c4ccccc4-c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A21 compound treatment 0.222 -0.0254 -1.25 0.237 -0.0066 -0.36 -1.1416 -0.8756 2068213 IFLab1_005301 CC1(C)CC(=O)c2sc(NC(=O)C3=COCCO3)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A22 compound treatment 0.229 -0.0184 -0.91 0.248 0.0044 0.24 -0.4707 -0.5016 2068214 IFLab1_005302 COCCn1c(COc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A23 mock treatment 0.246 -0.00137 -0.07 0.231 -0.0126 -0.69 -0.5362 -0.7725 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 A24 mock treatment 0.206 -0.0414 -2.04 0.202 -0.0416 -2.28 -3.0573 -0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B01 compound treatment 0.251 0.00363 0.18 0.233 -0.0106 -0.58 -0.2841 -0.4671 2068215 IFLab1_005303 COC(=O)c1ccsc1NC(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B02 compound treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 2068216 IFLab1_005304 O=C(Nc1nnc(o1)c2ccccc2)/C=C/c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B03 compound treatment 0.255 0.00763 0.38 0.253 0.0094 0.52 0.631 0.9882 2068217 IFLab1_005305 NC(=O)c1ccsc1NC(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B04 compound treatment 0.251 0.00363 0.18 0.251 0.0074 0.41 0.4138 0.9327 2068218 IFLab1_005306 O=C(Nc1nnc(o1)c2cccs2)c3ccc4CCCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B05 compound treatment 0.255 0.00763 0.38 0.256 0.0124 0.68 0.7473 0.9613 2068219 IFLab1_005307 NC(=O)c1ccsc1NC(=O)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B06 compound treatment 0.253 0.00563 0.28 0.252 0.0084 0.46 0.5224 0.9708 2068220 IFLab1_005308 CCCC(=O)N=c1sc2cc(Cl)ccc2n1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B07 compound treatment 0.254 0.00663 0.33 0.252 0.0084 0.46 0.5573 0.9861 2068221 IFLab1_005309 CNC(=O)c1ccsc1NC(=O)c2cc3ccccc3cc2OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B08 compound treatment 0.257 0.00963 0.48 0.258 0.0144 0.79 0.8947 0.9706 2068222 IFLab1_005310 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B09 compound treatment 0.257 0.00963 0.48 0.258 0.0144 0.79 0.8947 0.9706 2068223 IFLab1_005311 COCCn1c(=NC(=O)c2ccccc2)sc3cc(ccc13)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B10 compound treatment 0.256 0.00863 0.43 0.253 0.0094 0.52 0.6659 0.9956 2068224 IFLab1_005312 O=C(Nc1sccc1C#N)c2coc3ccccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B11 compound treatment 0.257 0.00963 0.48 0.255 0.0114 0.63 0.7784 0.9909 2068225 IFLab1_005313 CN(C)C(=O)CSc1nnc2cc(C)c3ccccc3n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B12 compound treatment 0.267 0.0196 0.97 0.266 0.0224 1.23 1.554 0.9931 2068226 IFLab1_005314 CC(C)Oc1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B13 compound treatment 0.255 0.00763 0.38 0.256 0.0124 0.68 0.7473 0.9613 2068227 IFLab1_005315 CC(C)OC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B14 compound treatment 0.25 0.00263 0.13 0.251 0.0074 0.41 0.3789 0.8892 2068228 IFLab1_005316 COc1cc2CCNC(COc3cc(C)cc(C)c3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B15 compound treatment 0.256 0.00863 0.43 0.255 0.0114 0.63 0.7434 0.9826 2068229 IFLab1_005317 CC(=O)Nc1ccc2n(CC=C)c(=NC(=O)/C=C/c3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B16 compound treatment 0.271 0.0236 1.17 0.271 0.0274 1.5 1.8875 0.9922 2068230 IFLab1_005318 NCCSc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B17 compound treatment 0.272 0.0246 1.22 0.271 0.0274 1.5 1.9225 0.9945 2068231 IFLab1_005319 OC(=O)c1cnccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B18 compound treatment 0.254 0.00663 0.33 0.255 0.0114 0.63 0.6736 0.9545 2068232 IFLab1_005320 COc1ccc(cc1)c2cnnn2c3ccc(N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B19 compound treatment 0.255 0.00763 0.38 0.254 0.0104 0.57 0.6698 0.9798 2068233 IFLab1_005321 COC(=O)c1ccccc1S(=O)(=O)NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B20 compound treatment 0.295 0.0476 2.35 0.262 0.0184 1.01 2.3766 0.9286 2068234 IFLab1_005322 OC1=C(C(=O)c2cccs2)C(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B21 compound treatment 0.256 0.00863 0.43 0.254 0.0104 0.57 0.7047 0.9897 2068235 IFLab1_005323 CCCC(=O)Nc1nnc(o1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B22 compound treatment 0.247 -3.67E-4 -0.02 0.248 0.0044 0.24 0.1578 0.6522 2068236 IFLab1_005324 Cc1ccc2n(CC(=O)O)c3nc4ccccc4nc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B23 mock treatment 0.251 0.00363 0.18 0.25 0.0064 0.35 0.375 0.9515 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 B24 mock treatment 0.244 -0.00337 -0.17 0.246 0.0024 0.13 -0.0245 -0.1156 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C01 compound treatment 0.222 -0.0254 -1.25 0.233 -0.0106 -0.58 -1.2967 -0.939 2068237 IFLab1_005325 Cc1ccc(NC(=O)CC(NCc2cccnc2)C(=O)O)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C02 compound treatment 0.234 -0.0134 -0.66 0.239 -0.0046 -0.25 -0.6451 -0.9129 2068238 IFLab1_005326 O=C(Nc1ccccc1c2nc3ccccc3s2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C03 compound treatment 0.241 -0.00637 -0.31 0.241 -0.0026 -0.14 -0.3231 -0.936 2068239 IFLab1_005327 CCS(=O)c1nc2c(Br)cccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C04 compound treatment 0.241 -0.00637 -0.31 0.24 -0.0036 -0.2 -0.3619 -0.9748 2068240 IFLab1_005328 O=C(N1CCCc2ccccc12)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C05 compound treatment 0.236 -0.0114 -0.56 0.237 -0.0066 -0.36 -0.6528 -0.9775 1579979 IFLab1_005329 OC(COc1ccc(Cl)cc1Cl)CN2C(=O)c3ccccc3S2(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C06 compound treatment 0.288 0.0406 2.01 0.279 0.0354 1.94 2.7913 0.9999 2068241 IFLab1_005330 O=C(Nc1cccc(c1)c2nc3ccccc3[nH]2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C07 compound treatment 0.241 -0.00637 -0.31 0.237 -0.0066 -0.36 -0.4782 -0.9975 1462746 IFLab1_005331 Cc1cccc(n1)N2C(=O)c3cccc4cccc(C2=O)c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C08 compound treatment 0.247 -3.67E-4 -0.02 0.248 0.0044 0.24 0.1578 0.6522 1554162 IFLab1_005332 OC(=O)CSc1cccc2cccnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C09 compound treatment 0.24 -0.00737 -0.36 0.237 -0.0066 -0.36 -0.5131 -1.0 2068242 IFLab1_005333 CC(C)(C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C10 compound treatment 0.259 0.0116 0.57 0.252 0.0084 0.46 0.7319 0.994 2068243 IFLab1_005334 CCN1CCN(Cc2ccc3cccnc3c2O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C11 compound treatment 0.246 -0.00137 -0.07 0.244 4.0E-4 0.02 -0.0322 -0.4539 1873690 IFLab1_005335 CC(=O)Nc1ccc(OCC(O)CN2CCN(CC2)c3ccc(F)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C12 compound treatment 0.251 0.00363 0.18 0.251 0.0074 0.41 0.4138 0.9327 2068244 IFLab1_005336 Cc1nc2ccccc2nc1SCC(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C13 compound treatment 0.244 -0.00337 -0.17 0.242 -0.0016 -0.09 -0.1796 -0.9554 2068245 IFLab1_005337 CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C14 compound treatment 0.25 0.00263 0.13 0.25 0.0064 0.35 0.3401 0.9088 2068246 IFLab1_005338 Cc1nccn1CC(O)Cn2c3C(=O)CCCc3c4cc(C)ccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C15 compound treatment 0.245 -0.00237 -0.12 0.238 -0.0056 -0.31 -0.2998 -0.9124 2068247 IFLab1_005339 CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(C#N)cc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C16 compound treatment 0.249 0.00163 0.08 0.248 0.0044 0.24 0.2276 0.8948 2068248 IFLab1_005340 Cc1ccc(cc1)n2nnnc2c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C17 compound treatment 0.257 0.00963 0.48 0.269 0.0254 1.39 1.3211 0.8977 2068249 IFLab1_005341 COC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C18 compound treatment 0.249 0.00163 0.08 0.25 0.0064 0.35 0.3052 0.8475 1623824 IFLab1_005342 CC(=O)Nc1ccccc1NS(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C19 compound treatment 0.341 0.0936 4.62 0.345 0.101 5.56 7.2008 0.9958 2068250 IFLab1_005343 O=C(Nc1nc(cs1)c2ccc3OCCOc3c2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C20 compound treatment 0.253 0.00563 0.28 0.254 0.0104 0.57 0.5999 0.9455 1274031 IFLab1_005344 CC(C)(CO)NCC(O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C21 compound treatment 0.24 -0.00737 -0.36 0.24 -0.0036 -0.2 -0.3968 -0.9587 2068251 IFLab1_005345 O=C(Nc1nc2CCCCc2s1)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C22 compound treatment 0.238 -0.00937 -0.46 0.242 -0.0016 -0.09 -0.3891 -0.8265 1711097 IFLab1_005346 Clc1sc(Nc2ccccc2N3CCOCC3)nc1S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C23 mock treatment 0.237 -0.0104 -0.51 0.237 -0.0066 -0.36 -0.6179 -0.9856 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 C24 mock treatment 0.221 -0.0264 -1.3 0.235 -0.0086 -0.47 -1.2541 -0.9056 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D01 compound treatment 0.24 -0.00737 -0.36 0.241 -0.0026 -0.14 -0.358 -0.9164 2068252 IFLab1_005347 COC(=O)c1ccsc1NC(=O)c2ccc(cc2)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D02 compound treatment 0.25 0.00263 0.13 0.249 0.0054 0.3 0.3013 0.9318 2068253 IFLab1_005348 Clc1cc(C(=O)Nc2nnc(o2)c3ccccc3)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D03 compound treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 2068254 IFLab1_005349 NC(=O)c1ccsc1NC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D04 compound treatment 0.254 0.00663 0.33 0.252 0.0084 0.46 0.5573 0.9861 2068255 IFLab1_005350 CCC(=O)Nc1nnc(o1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D05 compound treatment 0.266 0.0186 0.92 0.292 0.0484 2.65 2.5271 0.8997 2068256 IFLab1_005351 CC(C)(C)c1ccc(cc1)C(=O)Nc2sccc2C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D06 compound treatment 0.251 0.00363 0.18 0.248 0.0044 0.24 0.2975 0.9894 2068257 IFLab1_005352 CCn1c(=NC(=O)c2ccc(cc2)N(C)C)sc3cc(Cl)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D07 compound treatment 0.249 0.00163 0.08 0.251 0.0074 0.41 0.3439 0.8314 2068258 IFLab1_005353 COCCn1c(=NC(=O)c2ccc(cc2)C(=O)OC)sc3cc(C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D08 compound treatment 0.261 0.0136 0.67 0.256 0.0124 0.68 0.9568 1.0 2068259 IFLab1_005354 O=C(Nc1sccc1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D09 compound treatment 0.247 -3.67E-4 -0.02 0.254 0.0104 0.57 0.3904 0.6843 2068260 IFLab1_005355 COCCn1c(=NC(=O)c2ccccc2)sc3cc(NC(=O)C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D10 compound treatment 0.249 0.00163 0.08 0.246 0.0024 0.13 0.1501 0.9724 2068261 IFLab1_005356 O=C(Nc1sccc1C#N)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D11 compound treatment 0.249 0.00163 0.08 0.251 0.0074 0.41 0.3439 0.8314 2068262 IFLab1_005357 OC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D12 compound treatment 0.263 0.0156 0.77 0.257 0.0134 0.73 1.0654 0.9997 2068263 IFLab1_005358 CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D13 compound treatment 0.288 0.0406 2.01 0.285 0.0414 2.27 3.0239 0.9981 2068264 IFLab1_005359 Cc1ccc(cc1)C(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D14 compound treatment 0.248 6.33E-4 0.03 0.249 0.0054 0.3 0.2315 0.7775 2068265 IFLab1_005360 CCOC(=O)c1ccc(OCC2NCCc3cc(OC)c(OC)cc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D15 compound treatment 0.25 0.00263 0.13 0.248 0.0044 0.24 0.2625 0.9579 2068266 IFLab1_005361 COC(=O)Cn1c(=NC(=O)C(C)C)sc2cc(Cl)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D16 compound treatment 0.275 0.0276 1.36 0.274 0.0304 1.67 2.1435 0.9951 2068267 IFLab1_005362 Cc1ccc(cc1)c2[nH]c3ccccc3c2SCCN 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D17 compound treatment 0.262 0.0146 0.72 0.26 0.0164 0.9 1.1468 0.9941 2068268 IFLab1_005363 CC1(C)C2(C)CCC1(CC2=O)C(=O)Nc3ncc(Cl)cc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D18 compound treatment 0.253 0.00563 0.28 0.26 0.0164 0.9 0.8325 0.8845 2068269 IFLab1_005364 S=C(NCC1CCCO1)SCc2cn3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D19 compound treatment 0.249 0.00163 0.08 0.248 0.0044 0.24 0.2276 0.8948 2068270 IFLab1_005365 COc1ccccc1c2nnc(NC(=O)c3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D20 compound treatment 0.248 6.33E-4 0.03 0.249 0.0054 0.3 0.2315 0.7775 2068271 IFLab1_005366 CS(=O)(=O)c1ccc(COC(=O)c2ccccc2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D21 compound treatment 0.251 0.00363 0.18 0.265 0.0214 1.17 0.9566 0.8059 2068272 IFLab1_005367 Clc1ccc(cc1)c2nnc(NC(=O)c3ccc4ncsc4c3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D22 compound treatment 0.248 6.33E-4 0.03 0.249 0.0054 0.3 0.2315 0.7775 2068273 IFLab1_005368 CN1CCN(CC1)C(c2c(NC(=O)C)sc3CCCCc23)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D23 mock treatment 0.249 0.00163 0.08 0.245 0.0014 0.08 0.1113 0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 D24 mock treatment 0.246 -0.00137 -0.07 0.224 -0.0196 -1.07 -0.8076 -0.75 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E01 compound treatment 0.246 -0.00137 -0.07 0.239 -0.0046 -0.25 -0.2261 -0.8659 2068274 IFLab1_005369 CN1CCN(CC1)C(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E02 compound treatment 0.251 0.00363 0.18 0.252 0.0084 0.46 0.4525 0.9155 2068275 IFLab1_005370 O=C(Nc1cccc(c1)c2nc3ccccc3o2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E03 compound treatment 0.253 0.00563 0.28 0.251 0.0074 0.41 0.4836 0.983 1920161 IFLab1_005371 CCOc1ccc2[nH]c(SCC)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E04 compound treatment 0.251 0.00363 0.18 0.249 0.0054 0.3 0.3362 0.9712 2068276 IFLab1_005372 CN(C(=O)C1=COCCO1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E05 compound treatment 0.247 -3.67E-4 -0.02 0.25 0.0064 0.35 0.2353 0.6697 1499088 IFLab1_005373 Clc1ccc(cc1)S(=O)(=O)NC2OC(=O)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E06 compound treatment 0.255 0.00763 0.38 0.249 0.0054 0.3 0.4759 0.9929 2068277 IFLab1_005374 O=C(Nc1nccs1)c2ccc(s2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E07 compound treatment 0.395 0.148 7.29 0.402 0.158 8.69 11.2963 0.9962 2068278 IFLab1_005375 CN1/C(=C/C(=O)c2ccccc2)/Sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E08 compound treatment 0.259 0.0116 0.57 0.257 0.0134 0.73 0.9257 0.9926 1867541 IFLab1_005376 CC1(C)C2(C)CCC1(CC2=O)C(=O)Nc3cccc4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E09 compound treatment 0.251 0.00363 0.18 0.252 0.0084 0.46 0.4525 0.9155 2068279 IFLab1_005377 Nn1c(SCC(=O)NC2CCCCC2)nnc1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E10 compound treatment 0.26 0.0126 0.62 0.26 0.0164 0.9 1.077 0.984 1417146 IFLab1_005378 CC1CCN(Cc2ccc(O)c3ncccc23)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E11 compound treatment 0.253 0.00563 0.28 0.252 0.0084 0.46 0.5224 0.9708 1873699 IFLab1_005379 CC(=O)Nc1ccc(OCC(O)Cn2cnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E12 compound treatment 0.251 0.00363 0.18 0.251 0.0074 0.41 0.4138 0.9327 2068280 IFLab1_005380 O=C(CSc1cnc2ccccc2n1)NC3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E13 compound treatment 0.255 0.00763 0.38 0.258 0.0144 0.79 0.8248 0.9428 2068281 IFLab1_005381 CCOC(=O)N1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E14 compound treatment 0.254 0.00663 0.33 0.252 0.0084 0.46 0.5573 0.9861 2068282 IFLab1_005382 CC(C)(C)NC(=O)C1C2CC(C)(Oc3ccccc23)N(CC=C)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E15 compound treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 2068283 IFLab1_005383 CC(C)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E16 compound treatment 0.255 0.00763 0.38 0.254 0.0104 0.57 0.6698 0.9798 2068284 IFLab1_005384 Cn1cnnc1SC2C(NS(=O)(=O)C)c3cccc4cccc2c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E17 compound treatment 0.296 0.0486 2.4 0.281 0.0374 2.05 3.1482 0.9969 2068285 IFLab1_005385 COC(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E18 compound treatment 0.282 0.0346 1.71 0.293 0.0494 2.71 3.1246 0.9754 1633840 IFLab1_005386 OC(CN1CCNCC1)Cn2c3ccccc3c4cc(Br)ccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E19 compound treatment 0.305 0.0576 2.85 0.324 0.0804 4.41 5.1296 0.9776 2068286 IFLab1_005387 O=C(Nc1nc(cs1)c2ccc3OCCOc3c2)/C=C/c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E20 compound treatment 0.256 0.00863 0.43 0.257 0.0134 0.73 0.821 0.9665 1060202 IFLab1_005388 CC(C)(C)NC(=O)c1cccc2C(=O)c3ccccc3-c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E21 compound treatment 0.255 0.00763 0.38 0.252 0.0084 0.46 0.5922 0.9951 2068287 IFLab1_005389 Cc1nc2ccc3nc(NC(=O)C4=COCCO4)sc3c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E22 compound treatment 0.248 6.33E-4 0.03 0.247 0.0034 0.19 0.1539 0.8144 2068288 IFLab1_005390 Cn1sc(=Nc2ccccc2)nc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E23 mock treatment 0.249 0.00163 0.08 0.249 0.0054 0.3 0.2664 0.8681 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 E24 mock treatment 0.251 0.00363 0.18 0.243 -6.0E-4 -0.03 0.1036 0.568 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F01 compound treatment 0.243 -0.00437 -0.22 0.244 4.0E-4 0.02 -0.137 -0.6319 2068289 IFLab1_005391 CCOC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F02 compound treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 2068290 IFLab1_005392 CC(C)(C)C(=O)Nc1nnc(o1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F03 compound treatment 0.261 0.0136 0.67 0.261 0.0174 0.95 1.1507 0.9854 2068291 IFLab1_005393 NC(=O)c1ccsc1NC(=O)c2ccc(Br)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F04 compound treatment 0.262 0.0146 0.72 0.263 0.0194 1.06 1.2631 0.9823 2068292 IFLab1_005394 Fc1ccc(/C=C/C(=O)Nc2ccon2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F05 compound treatment 0.256 0.00863 0.43 0.264 0.0204 1.12 1.0924 0.9126 2068293 IFLab1_005395 NC(=O)c1ccsc1NC(=O)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F06 compound treatment 0.248 6.33E-4 0.03 0.25 0.0064 0.35 0.2702 0.7671 2068294 IFLab1_005396 CCn1c(=NC(=O)c2ccccc2OC)sc3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F07 compound treatment 0.259 0.0116 0.57 0.254 0.0104 0.57 0.8094 1.0 2068295 IFLab1_005397 COCCn1c(=NC(=O)c2cccs2)sc3cc(ccc13)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F08 compound treatment 0.319 0.0716 3.54 0.311 0.0674 3.7 5.1144 0.9998 2068296 IFLab1_005398 O=C(Nc1sccc1C#N)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F09 compound treatment 0.263 0.0156 0.77 0.262 0.0184 1.01 1.2593 0.9913 2068297 IFLab1_005399 COCCn1c(=NC(=O)c2ccc(Br)s2)sc3cc(NC(=O)C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F10 compound treatment 0.256 0.00863 0.43 0.256 0.0124 0.68 0.7822 0.9747 2068298 IFLab1_005400 CCC(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F11 compound treatment 0.271 0.0236 1.17 0.27 0.0264 1.45 1.8488 0.9943 1260669 IFLab1_005401 Cc1cc(NCCN2CCOCC2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F12 compound treatment 0.258 0.0106 0.53 0.258 0.0144 0.79 0.9296 0.9804 2068299 IFLab1_005402 CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3sccc3C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F13 compound treatment 0.265 0.0176 0.87 0.263 0.0194 1.06 1.3679 0.9951 2068300 IFLab1_005403 COc1ccc(cc1)C2C(=C(NC3=C2C(=O)CC(C)(C)C3)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F14 compound treatment 0.272 0.0246 1.22 0.269 0.0254 1.39 1.8449 0.9977 2068301 IFLab1_005404 NC(=N)Sc1cn(Cc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F15 compound treatment 0.265 0.0176 0.87 0.262 0.0184 1.01 1.3291 0.9973 2068302 IFLab1_005405 COC(=O)Cn1c(=NC(=O)C)sc2cc(Br)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F16 compound treatment 0.277 0.0296 1.46 0.269 0.0254 1.39 2.0195 0.9997 2068303 IFLab1_005406 COc1ccc(cc1)n2cc(c3ccccc3)c4c(O)ncnc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F17 compound treatment 0.268 0.0206 1.02 0.268 0.0244 1.34 1.6665 0.991 2068304 IFLab1_005407 FC(F)(F)c1nn(c2CCCCc12)c3ccc(cc3)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F18 compound treatment 0.275 0.0276 1.36 0.28 0.0364 2.0 2.3761 0.9828 2068305 IFLab1_005408 NCc1ccc2[nH]c3CCCCc3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F19 compound treatment 0.298 0.0506 2.5 0.272 0.0284 1.56 2.8691 0.974 2068306 IFLab1_005409 COc1ccccc1c2nnc(NC(=O)CCSc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F20 compound treatment 0.264 0.0166 0.82 0.265 0.0214 1.17 1.4105 0.9848 2068307 IFLab1_005410 OC1=C(C(=O)/C=C/c2ccco2)C(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F21 compound treatment 0.273 0.0256 1.27 0.266 0.0224 1.23 1.7635 0.9999 2068308 IFLab1_005411 Clc1ccc(cc1)c2nnc(NC(=O)COc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F22 compound treatment 0.255 0.00763 0.38 0.255 0.0114 0.63 0.7085 0.9707 2068309 IFLab1_005412 CC(=O)Nc1sc2CCCCc2c1C(N3CCN(CCO)CC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F23 mock treatment 0.254 0.00663 0.33 0.251 0.0074 0.41 0.5185 0.9944 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 F24 mock treatment 0.258 0.0106 0.53 0.245 0.0014 0.08 0.4256 0.802 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G01 compound treatment 0.245 -0.00237 -0.12 0.239 -0.0046 -0.25 -0.261 -0.9389 2068310 IFLab1_005413 CN(C)C(CC(=O)Nc1cc(Cl)ccc1C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G02 compound treatment 0.247 -3.67E-4 -0.02 0.25 0.0064 0.35 0.2353 0.6697 2068311 IFLab1_005414 CSc1nc2ccc3nc(NC(=O)C4=COCCO4)sc3c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G03 compound treatment 0.253 0.00563 0.28 0.254 0.0104 0.57 0.5999 0.9455 1231753 IFLab1_005415 CCOc1ccc2[nH]c(SCCN(C)C)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G04 compound treatment 0.248 6.33E-4 0.03 0.248 0.0044 0.24 0.1927 0.7921 2068312 IFLab1_005416 O=C(N1CCN(CC1)c2ccccc2)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G05 compound treatment 0.257 0.00963 0.48 0.258 0.0144 0.79 0.8947 0.9706 2068313 IFLab1_005417 CN1C(=O)/C(=C\C=C\c2ccccc2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G06 compound treatment 0.26 0.0126 0.62 0.258 0.0144 0.79 0.9994 0.9932 2068314 IFLab1_005418 O=C(NCc1ccccc1)c2ccc(s2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G07 compound treatment 0.252 0.00463 0.23 0.249 0.0054 0.3 0.3711 0.9919 2068315 IFLab1_005419 C1Cn2cc(nc2S1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G08 compound treatment 0.26 0.0126 0.62 0.258 0.0144 0.79 0.9994 0.9932 1873796 IFLab1_005420 CC1(C)C2CCC(C2)(C(=O)Nc3ccc(Br)cn3)C1=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G09 compound treatment 0.254 0.00663 0.33 0.255 0.0114 0.63 0.6736 0.9545 1708050 IFLab1_005421 Cc1nnc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G10 compound treatment 0.246 -0.00137 -0.07 0.243 -6.0E-4 -0.03 -0.071 -0.9454 2068316 IFLab1_005422 FC(F)(F)c1cc(NC(=O)CC2SC(=N)NC2=O)ccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G11 compound treatment 0.254 0.00663 0.33 0.248 0.0044 0.24 0.4022 0.9887 2068317 IFLab1_005423 COC(=O)/C=C/1\SC(=N)NC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G12 compound treatment 0.259 0.0116 0.57 0.257 0.0134 0.73 0.9257 0.9926 2068318 IFLab1_005424 Fc1ccc(cc1)N2CCN(CC2)C(=O)CSc3cnc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G13 compound treatment 0.261 0.0136 0.67 0.263 0.0194 1.06 1.2282 0.9757 2068319 IFLab1_005425 CC(=O)N1CCc2c(C(=O)N)c(NC(=O)c3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G14 compound treatment 0.243 -0.00437 -0.22 0.241 -0.0026 -0.14 -0.2533 -0.9798 2068320 IFLab1_005426 CC1(CC2C(C(=O)Nc3ccccc3)C(=O)N1CC=C)Oc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G15 compound treatment 0.257 0.00963 0.48 0.256 0.0124 0.68 0.8171 0.9847 2068321 IFLab1_005427 CC(=O)N1CCc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G16 compound treatment 0.269 0.0216 1.07 0.258 0.0144 0.79 1.3137 0.9889 2068322 IFLab1_005428 COc1ccc(cc1)c2ccc(o2)C3C(=C(N)OC4=C3C(=O)CCC4)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G17 compound treatment 0.275 0.0276 1.36 0.276 0.0324 1.78 2.2211 0.9915 2068323 IFLab1_005429 CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G18 compound treatment 0.271 0.0236 1.17 0.263 0.0194 1.06 1.5774 0.9989 2068324 IFLab1_005430 COC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G19 compound treatment 0.254 0.00663 0.33 0.257 0.0134 0.73 0.7511 0.9338 2068325 IFLab1_005431 O=C(Nc1nc(cs1)c2ccc3OCCOc3c2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G20 compound treatment 0.252 0.00463 0.23 0.258 0.0144 0.79 0.7201 0.876 1424207 IFLab1_005432 Cc1ccc(cc1)S(=O)(=O)NCC(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G21 compound treatment 0.255 0.00763 0.38 0.268 0.0244 1.34 1.2125 0.8724 2068326 IFLab1_005433 O=C(Nc1nc(cs1)c2ccccc2)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G22 compound treatment 0.254 0.00663 0.33 0.247 0.0034 0.19 0.3634 0.9643 2068327 IFLab1_005434 C[N+](=c1nc(c2ccccc2)n(C)s1)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G23 mock treatment 0.252 0.00463 0.23 0.252 0.0084 0.46 0.4875 0.9479 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 G24 mock treatment 0.245 -0.00237 -0.12 0.242 -0.0016 -0.09 -0.1447 -0.99 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H01 compound treatment 0.245 -0.00237 -0.12 0.235 -0.0086 -0.47 -0.4161 -0.8564 2068328 IFLab1_005435 CCOC(=O)c1ccsc1NC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H02 compound treatment 0.253 0.00563 0.28 0.248 0.0044 0.24 0.3673 0.9975 2068329 IFLab1_005436 COc1ccccc1C(=O)Nc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H03 compound treatment 0.252 0.00463 0.23 0.257 0.0134 0.73 0.6813 0.8854 2068330 IFLab1_005437 Cc1ccc(cc1C)C(=O)Nc2sccc2C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H04 compound treatment 0.25 0.00263 0.13 0.255 0.0114 0.63 0.5339 0.8363 2068331 IFLab1_005438 Cc1cc(C)n(n1)C(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H05 compound treatment 0.257 0.00963 0.48 0.255 0.0114 0.63 0.7784 0.9909 2068332 IFLab1_005439 NC(=O)c1ccsc1NC(=O)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H06 compound treatment 0.244 -0.00337 -0.17 0.252 0.0084 0.46 0.2081 0.425 2068333 IFLab1_005440 CCn1c(=NC(=O)Cc2ccccc2)sc3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H07 compound treatment 0.262 0.0146 0.72 0.252 0.0084 0.46 0.8366 0.9763 2068334 IFLab1_005441 COCCn1c(=NC(=O)C)sc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H08 compound treatment 0.288 0.0406 2.01 0.299 0.0554 3.04 3.5667 0.9797 2068335 IFLab1_005442 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H09 compound treatment 0.25 0.00263 0.13 0.253 0.0094 0.52 0.4564 0.8586 2068336 IFLab1_005443 COCCn1c(=NC(=O)CCc2ccccc2)sc3cc(NC(=O)C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H10 compound treatment 0.261 0.0136 0.67 0.258 0.0144 0.79 1.0343 0.9969 2068337 IFLab1_005444 CC(C)C(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H11 compound treatment 0.251 0.00363 0.18 0.257 0.0134 0.73 0.6464 0.8547 2068338 IFLab1_005445 CN(C)C(=O)CSc1nnc2sc3ccccc3n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H12 compound treatment 0.261 0.0136 0.67 0.249 0.0054 0.3 0.6854 0.9319 2068339 IFLab1_005446 O=C(Nc1sccc1C#N)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H13 compound treatment 0.277 0.0296 1.46 0.272 0.0284 1.56 2.1358 0.9995 1571330 IFLab1_005447 c1ccc2[nH]c(nc2c1)c3nc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H14 compound treatment 0.256 0.00863 0.43 0.253 0.0094 0.52 0.6659 0.9956 2068340 IFLab1_005448 Cn1cc(SC(=N)N)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H15 compound treatment 0.297 0.0496 2.45 0.294 0.0504 2.76 3.6871 0.9982 2068341 IFLab1_005449 COC(=O)Cn1c(=NC(=O)/C=C/c2cccs2)sc3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H16 compound treatment 0.287 0.0396 1.96 0.279 0.0354 1.94 2.7564 1.0 2068342 IFLab1_005450 Cc1cccc(c1)n2cc(c3ccccc3)c4c(O)ncnc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H17 compound treatment 0.263 0.0156 0.77 0.265 0.0214 1.17 1.3756 0.9794 1867614 IFLab1_005451 CC1(C)C2(C)CCC1(OC2=O)C(=O)Nc3ccc(Br)cn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H18 compound treatment 0.249 0.00163 0.08 0.251 0.0074 0.41 0.3439 0.8314 2068343 IFLab1_005452 Cc1[nH]c2ccccc2c1C(Nc3ccccn3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H19 compound treatment 0.261 0.0136 0.67 0.247 0.0034 0.19 0.6079 0.8702 1574318 IFLab1_005453 COc1ccc(cc1)c2nnc(NC(=O)C)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H20 compound treatment 0.276 0.0286 1.41 0.288 0.0444 2.43 2.7212 0.9666 2068344 IFLab1_005454 COc1ccc(cc1)C(=O)C2=C(O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H21 compound treatment 0.256 0.00863 0.43 0.245 0.0014 0.08 0.3557 0.8212 2068345 IFLab1_005455 O=C(Nc1nnc(o1)c2ccccc2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H22 compound treatment 0.25 0.00263 0.13 0.253 0.0094 0.52 0.4564 0.8586 2068346 IFLab1_005456 CC(=O)Nc1sc2CCCCc2c1C(N3CCOCC3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H23 mock treatment 0.25 0.00263 0.13 0.25 0.0064 0.35 0.3401 0.9088 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 H24 mock treatment 0.246 -0.00137 -0.07 0.23 -0.0136 -0.75 -0.575 -0.768 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I01 compound treatment 0.252 0.00463 0.23 0.237 -0.0066 -0.36 -0.0941 -0.2198 2068347 IFLab1_005457 Cc1ccc(Cl)cc1NC(=O)CC(N2CCNCC2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I02 compound treatment 0.256 0.00863 0.43 0.257 0.0134 0.73 0.821 0.9665 2068348 IFLab1_005458 COc1cccc2sc(=NC(=O)C3=COCCO3)n(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I03 compound treatment 0.254 0.00663 0.33 0.254 0.0104 0.57 0.6348 0.9654 1869881 IFLab1_005459 CCOc1ccc2nc3SCC(O)Cn3c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I04 compound treatment 0.253 0.00563 0.28 0.25 0.0064 0.35 0.4448 0.9934 2068349 IFLab1_005460 Cc1cc(NC(=O)C2=COCCO2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I05 compound treatment 0.256 0.00863 0.43 0.255 0.0114 0.63 0.7434 0.9826 2068350 IFLab1_005461 CN1C(=O)/C(=C\c2ccc(Cl)cc2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I06 compound treatment 0.256 0.00863 0.43 0.257 0.0134 0.73 0.821 0.9665 2068351 IFLab1_005462 O=C(N1CCOCC1)c2ccc(s2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I07 compound treatment 0.243 -0.00437 -0.22 0.254 0.0104 0.57 0.2507 0.4113 555 IFLab1_005463 Cc1cc2ncc(nc2cc1C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I08 compound treatment 0.264 0.0166 0.82 0.266 0.0224 1.23 1.4493 0.9809 1868510 IFLab1_005464 OC(=O)Cc1coc2ccc3ccccc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I09 compound treatment 0.253 0.00563 0.28 0.255 0.0114 0.63 0.6387 0.9335 1177865 IFLab1_005465 CCc1nnc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I10 compound treatment 0.258 0.0106 0.53 0.257 0.0134 0.73 0.8908 0.9864 2068352 IFLab1_005466 CN(C)c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I11 compound treatment 0.255 0.00763 0.38 0.255 0.0114 0.63 0.7085 0.9707 2068353 IFLab1_005467 FC(F)(F)c1cc(NC2OC(=O)c3ccccc23)ccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I12 compound treatment 0.25 0.00263 0.13 0.249 0.0054 0.3 0.3013 0.9318 2068354 IFLab1_005468 Fc1ccc(NC(=O)CSc2cnc3ccccc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I13 compound treatment 0.273 0.0256 1.27 0.273 0.0294 1.61 2.0349 0.9928 2068355 IFLab1_005469 CC(=O)N1CCc2c(C(=O)N)c(NC(=O)/C=C/c3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I14 compound treatment 0.256 0.00863 0.43 0.25 0.0064 0.35 0.5496 0.9953 2068356 IFLab1_005470 CCC(CC)NC(=O)C1C2CC(C)(Oc3ccccc23)N(C)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I15 compound treatment 0.251 0.00363 0.18 0.259 0.0154 0.84 0.7239 0.8386 2068357 IFLab1_005471 CC(C)C(=O)Nc1sc2CN(CCc2c1c3nc4ccccc4s3)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I16 compound treatment 0.251 0.00363 0.18 0.25 0.0064 0.35 0.375 0.9515 2068358 IFLab1_005472 N/C(=N\S(=O)(=O)c1ccc(Cl)s1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I17 compound treatment 0.254 0.00663 0.33 0.256 0.0124 0.68 0.7124 0.9439 2068359 IFLab1_005473 CCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I18 compound treatment 0.266 0.0186 0.92 0.269 0.0254 1.39 1.6354 0.9798 3177232 IFLab1_005474 CCN(CC)CC(O)Cn1c2ccccc2c3ccccc13.OC(=O)c1ccco1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I19 compound treatment 0.259 0.0116 0.57 0.261 0.0174 0.95 1.0808 0.9705 2068360 IFLab1_005475 CCC(=O)Nc1nc(cs1)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I20 compound treatment 0.246 -0.00137 -0.07 0.255 0.0114 0.63 0.3943 0.6271 1190658 IFLab1_005476 CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I21 compound treatment 0.292 0.0446 2.2 0.338 0.0944 5.18 5.2184 0.9276 2068361 IFLab1_005477 Clc1ccc(s1)c2csc(NC(=O)C3=COCCO3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I22 compound treatment 0.254 0.00663 0.33 0.258 0.0144 0.79 0.7899 0.9241 2068362 IFLab1_005478 Cc1ccc(cc1)S(=O)(=O)c2nc(Nc3nccs3)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I23 mock treatment 0.254 0.00663 0.33 0.255 0.0114 0.63 0.6736 0.9545 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 I24 mock treatment 0.253 0.00563 0.28 0.249 0.0054 0.3 0.4061 0.9995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J01 compound treatment 0.243 -0.00437 -0.22 0.236 -0.0076 -0.42 -0.4471 -0.953 2068363 IFLab1_005479 CCOC(=O)c1ccsc1NC(=O)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J02 compound treatment 0.249 0.00163 0.08 0.249 0.0054 0.3 0.2664 0.8681 2068364 IFLab1_005480 O=C(CCc1ccccc1)Nc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J03 compound treatment 0.248 6.33E-4 0.03 0.246 0.0024 0.13 0.1152 0.8514 2068365 IFLab1_005481 NC(=O)c1ccsc1NC(=O)c2cc(nc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J04 compound treatment 0.283 0.0356 1.76 0.282 0.0384 2.11 2.733 0.996 2068366 IFLab1_005482 Fc1cccc(/C=C/C(=O)Nc2ccc3OCOc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J05 compound treatment 0.252 0.00463 0.23 0.25 0.0064 0.35 0.4099 0.9785 2068367 IFLab1_005483 NC(=O)c1ccsc1NC(=O)C2=COCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J06 compound treatment 0.252 0.00463 0.23 0.254 0.0104 0.57 0.565 0.9196 2068368 IFLab1_005484 CCn1c(=NC(=O)c2ccc(Br)s2)sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J07 compound treatment 0.249 0.00163 0.08 0.248 0.0044 0.24 0.2276 0.8948 2068369 IFLab1_005485 COCCn1c(=NC(=O)C2COc3ccccc3O2)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J08 compound treatment 0.259 0.0116 0.57 0.258 0.0144 0.79 0.9645 0.9878 2068370 IFLab1_005486 O=C(Nc1sccc1C#N)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J09 compound treatment 0.252 0.00463 0.23 0.252 0.0084 0.46 0.4875 0.9479 2068371 IFLab1_005487 COCCn1c(=NC(=O)c2ccccc2OC)sc3cc(OC)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J10 compound treatment 0.259 0.0116 0.57 0.257 0.0134 0.73 0.9257 0.9926 2068372 IFLab1_005488 COc1ccccc1C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J11 compound treatment 0.254 0.00663 0.33 0.245 0.0014 0.08 0.2859 0.8498 2068373 IFLab1_005489 O=c1[nH]c(CN2CCOCC2)nc3sc4CCCCc4c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J12 compound treatment 0.264 0.0166 0.82 0.267 0.0234 1.28 1.488 0.9768 2068374 IFLab1_005490 O=C(CCSc1ccccc1)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J13 compound treatment 0.251 0.00363 0.18 0.257 0.0134 0.73 0.6464 0.8547 2068375 IFLab1_005491 COC(=O)c1ccc2n(CC=C)c(=NC(=O)c3ccc(F)cc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J14 compound treatment 0.247 -3.67E-4 -0.02 0.247 0.0034 0.19 0.119 0.6354 2068376 IFLab1_005492 CCn1cc(SC(=N)N)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J15 compound treatment 0.256 0.00863 0.43 0.249 0.0054 0.3 0.5108 0.9841 2068377 IFLab1_005493 CCOC(=O)Cn1c(=NC(=O)c2ccccc2Br)sc3cc(C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J16 compound treatment 0.27 0.0226 1.12 0.268 0.0244 1.34 1.7363 0.996 2068378 IFLab1_005494 Oc1ncnc2n(cc(c3ccccc3)c12)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J17 compound treatment 0.253 0.00563 0.28 0.254 0.0104 0.57 0.5999 0.9455 2068379 IFLab1_005495 OC(=O)c1ccc(cc1)n2nc(c3CCCCc32)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J18 compound treatment 0.253 0.00563 0.28 0.254 0.0104 0.57 0.5999 0.9455 2068380 IFLab1_005496 Cc1[nH]c2ccccc2c1C(N3CCCC3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J19 compound treatment 0.252 0.00463 0.23 0.261 0.0174 0.95 0.8364 0.8525 2068381 IFLab1_005497 COc1ccc(cc1)c2nnc(NC(=O)/C=C/c3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J20 compound treatment 0.249 0.00163 0.08 0.254 0.0104 0.57 0.4602 0.7992 2068382 IFLab1_005498 CN(C)c1ccc(/C=C/C(=O)C2=C(O)c3ccccc3C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J21 compound treatment 0.252 0.00463 0.23 0.254 0.0104 0.57 0.565 0.9196 2068383 IFLab1_005499 FC(F)(F)c1cccc(c1)C(=O)Nc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J22 compound treatment 0.247 -3.67E-4 -0.02 0.248 0.0044 0.24 0.1578 0.6522 2068384 IFLab1_005500 CC(=O)Nc1sc2CCCCc2c1CN3CCc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J23 mock treatment 0.248 6.33E-4 0.03 0.249 0.0054 0.3 0.2315 0.7775 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 J24 mock treatment 0.243 -0.00437 -0.22 0.242 -0.0016 -0.09 -0.2145 -0.9214 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K01 compound treatment 0.242 -0.00537 -0.27 0.238 -0.0056 -0.31 -0.4045 -0.9973 2068385 IFLab1_005501 Cc1ccc(Cl)cc1NC(=O)CC(NCC2CCCO2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K02 compound treatment 0.256 0.00863 0.43 0.255 0.0114 0.63 0.7434 0.9826 2068386 IFLab1_005502 O=C(Nc1ccc(cc1)c2nc3ccccc3s2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K03 compound treatment 0.245 -0.00237 -0.12 0.25 0.0064 0.35 0.1655 0.4474 1869885 IFLab1_005503 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K04 compound treatment 0.257 0.00963 0.48 0.257 0.0134 0.73 0.8559 0.9779 2068387 IFLab1_005504 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K05 compound treatment 0.287 0.0396 1.96 0.285 0.0414 2.27 2.989 0.9973 2068388 IFLab1_005505 CN1C(=O)/C(=C\c2ccc(O)cc2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K06 compound treatment 0.256 0.00863 0.43 0.255 0.0114 0.63 0.7434 0.9826 2068389 IFLab1_005506 O=C(N1CCCCC1)c2ccc(s2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K07 compound treatment 0.247 -3.67E-4 -0.02 0.247 0.0034 0.19 0.119 0.6354 1005966 IFLab1_005507 COc1ccccc1OCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K08 compound treatment 0.255 0.00763 0.38 0.254 0.0104 0.57 0.6698 0.9798 2068390 IFLab1_005508 COC(=O)CSc1nnc(c2cccs2)n1c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K09 compound treatment 0.251 0.00363 0.18 0.253 0.0094 0.52 0.4913 0.9003 1873702 IFLab1_005509 CCN(CC)CC(O)COc1ccc(NC(=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K10 compound treatment 0.255 0.00763 0.38 0.255 0.0114 0.63 0.7085 0.9707 2068391 IFLab1_005510 CC(C)OCC(O)CN1CCN(Cc2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K11 compound treatment 0.241 -0.00637 -0.31 0.243 -6.0E-4 -0.03 -0.2456 -0.7769 2068392 IFLab1_005511 Cc1c(Cl)cccc1NC2OC(=O)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K12 compound treatment 0.254 0.00663 0.33 0.255 0.0114 0.63 0.6736 0.9545 2068393 IFLab1_005512 O=C(CSc1nc2ccccc2nc1c3ccccc3)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K13 compound treatment 0.259 0.0116 0.57 0.258 0.0144 0.79 0.9645 0.9878 2068394 IFLab1_005513 CC(C)C(=O)Nc1sc2CN(CCc2c1C(=O)N)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K14 compound treatment 0.249 0.00163 0.08 0.25 0.0064 0.35 0.3052 0.8475 2068395 IFLab1_005514 CCN(CC)C(=O)C1C2CC(C)(NC1=O)Oc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K15 compound treatment 0.254 0.00663 0.33 0.251 0.0074 0.41 0.5185 0.9944 2068396 IFLab1_005515 COC(=O)c1ccc2nc(NC(=O)C)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K16 compound treatment 0.257 0.00963 0.48 0.253 0.0094 0.52 0.7008 0.9992 2068397 IFLab1_005516 O=S(=O)(/N=C(\NC#N)/c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K17 compound treatment 0.255 0.00763 0.38 0.262 0.0184 1.01 0.9799 0.9099 2068398 IFLab1_005517 CCCC(=O)Nc1nc2ccc(cc2s1)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K18 compound treatment 0.261 0.0136 0.67 0.261 0.0174 0.95 1.1507 0.9854 1453602 IFLab1_005518 OCCN(CCO)CC(O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K19 compound treatment 0.248 6.33E-4 0.03 0.249 0.0054 0.3 0.2315 0.7775 2068399 IFLab1_005519 Cc1nc2ccc(NC(=O)C3=COCCO3)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K20 compound treatment 0.251 0.00363 0.18 0.256 0.0124 0.68 0.6076 0.8641 1142721 IFLab1_005520 COc1ccccc1N(CC(O)CN2CCCCC2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K21 compound treatment 0.242 -0.00537 -0.27 0.245 0.0014 0.08 -0.1331 -0.4825 2068400 IFLab1_005521 CC(C)(C)c1csc(NC(=O)C2=COCCO2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K22 compound treatment 0.256 0.00863 0.43 0.276 0.0324 1.78 1.5576 0.8526 2068401 IFLab1_005522 Clc1sc(nc1S(=O)(=O)c2ccc(Cl)cc2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K23 mock treatment 0.25 0.00263 0.13 0.25 0.0064 0.35 0.3401 0.9088 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 K24 mock treatment 0.254 0.00663 0.33 0.253 0.0094 0.52 0.5961 0.9761 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L01 compound treatment 0.25 0.00263 0.13 0.237 -0.0066 -0.36 -0.1639 -0.4263 2068402 IFLab1_005523 CCOC(=O)c1ccsc1NC(=O)CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L02 compound treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 2068403 IFLab1_005524 O=C(Cc1ccccc1)Nc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L03 compound treatment 0.257 0.00963 0.48 0.257 0.0134 0.73 0.8559 0.9779 2068404 IFLab1_005525 NC(=O)c1ccsc1NC(=O)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L04 compound treatment 0.247 -3.67E-4 -0.02 0.251 0.0074 0.41 0.2741 0.6749 2068405 IFLab1_005526 Cn1c(=NC(=O)c2ccc(Cl)s2)sc3cccc(Cl)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L05 compound treatment 0.259 0.0116 0.57 0.259 0.0154 0.84 1.0033 0.9824 2068406 IFLab1_005527 NC(=O)c1ccsc1NC(=O)c2sc3ccccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L06 compound treatment 0.252 0.00463 0.23 0.253 0.0094 0.52 0.5262 0.9332 1067560 IFLab1_005528 COc1ccc(CCN2C(=O)C=CC2=O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L07 compound treatment 0.251 0.00363 0.18 0.251 0.0074 0.41 0.4138 0.9327 2068407 IFLab1_005529 COCCn1c(=NC(=O)c2cccc(OC)c2)sc3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L08 compound treatment 0.272 0.0246 1.22 0.275 0.0314 1.72 2.0775 0.9855 2068408 IFLab1_005530 Brc1ccc(s1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L09 compound treatment 0.258 0.0106 0.53 0.256 0.0124 0.68 0.852 0.9918 2068409 IFLab1_005531 COCCn1c(=NC(=O)c2c(F)cccc2F)sc3cc(OC)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L10 compound treatment 0.286 0.0386 1.91 0.276 0.0324 1.78 2.6052 0.9994 2068410 IFLab1_005532 CCOc1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L11 compound treatment 0.258 0.0106 0.53 0.257 0.0134 0.73 0.8908 0.9864 2068411 IFLab1_005533 Fc1ccccc1NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L12 compound treatment 0.246 -0.00137 -0.07 0.248 0.0044 0.24 0.1229 0.4905 2068412 IFLab1_005534 COc1ccc(cc1)n2ncc3c(O)ncnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L13 compound treatment 0.257 0.00963 0.48 0.257 0.0134 0.73 0.8559 0.9779 2068413 IFLab1_005535 CS(=O)(=O)c1ccc2n(CC=C)c(=NC(=O)/C=C/c3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L14 compound treatment 0.255 0.00763 0.38 0.262 0.0184 1.01 0.9799 0.9099 2068414 IFLab1_005536 NC(=N)Sc1cn(CCNC(=O)c2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L15 compound treatment 0.248 6.33E-4 0.03 0.254 0.0104 0.57 0.4253 0.7448 1867568 IFLab1_005537 CCN1CCN(CC1)C(=O)C2(CCC3(C)C(=O)O2)C3(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L16 compound treatment 0.259 0.0116 0.57 0.261 0.0174 0.95 1.0808 0.9705 1032585 IFLab1_005538 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L17 compound treatment 0.268 0.0206 1.02 0.263 0.0194 1.06 1.4726 0.9998 1475400 IFLab1_005539 Oc1ccccc1C(=O)NS(=O)(=O)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L18 compound treatment 0.248 6.33E-4 0.03 0.25 0.0064 0.35 0.2702 0.7671 2068415 IFLab1_005540 OCCCc1nc2NC(=CC(c3ccccc3)n2n1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L19 compound treatment 0.257 0.00963 0.48 0.255 0.0114 0.63 0.7784 0.9909 2068416 IFLab1_005541 COc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L20 compound treatment 0.249 0.00163 0.08 0.252 0.0084 0.46 0.3827 0.8185 2068417 IFLab1_005542 CCOC(=O)c1sc2nc3CCCc3c(c4ccc(OC)cc4)c2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L21 compound treatment 0.252 0.00463 0.23 0.255 0.0114 0.63 0.6038 0.9071 2068418 IFLab1_005543 O=C(Nc1nnc(o1)c2ccccc2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L22 compound treatment 0.248 6.33E-4 0.03 0.247 0.0034 0.19 0.1539 0.8144 2068419 IFLab1_005544 Cc1sc(NC(=O)c2ccco2)c(C(N3CCCCC3)c4cccnc4)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L23 mock treatment 0.258 0.0106 0.53 0.256 0.0124 0.68 0.852 0.9918 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 L24 mock treatment 0.247 -3.67E-4 -0.02 0.247 0.0034 0.19 0.119 0.6354 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M01 compound treatment 0.245 -0.00237 -0.12 0.236 -0.0076 -0.42 -0.3773 -0.8718 2068420 IFLab1_005545 OC(=O)C(CC(=O)Nc1ccc(Cl)cc1Cl)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M02 compound treatment 0.249 0.00163 0.08 0.255 0.0114 0.63 0.499 0.7918 2068421 IFLab1_005546 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M03 compound treatment 0.247 -3.67E-4 -0.02 0.247 0.0034 0.19 0.119 0.6354 1635497 IFLab1_005547 OC(=O)c1cccnc1SCCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M04 compound treatment 0.255 0.00763 0.38 0.252 0.0084 0.46 0.5922 0.9951 2068422 IFLab1_005548 NC(=O)c1c(NC(=O)C2=COCCO2)sc3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M05 compound treatment 0.251 0.00363 0.18 0.259 0.0154 0.84 0.7239 0.8386 2068423 IFLab1_005549 COc1ccc(/C=C\2/SC(=S)N(C)C2=O)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M06 compound treatment 0.261 0.0136 0.67 0.263 0.0194 1.06 1.2282 0.9757 2068424 IFLab1_005550 CN(C(=O)c1ccc(s1)c2nc3ccccc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M07 compound treatment 0.254 0.00663 0.33 0.251 0.0074 0.41 0.5185 0.9944 1517122 IFLab1_005551 COc1ccc(C(=O)CNc2cc(C)ccc2C)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M08 compound treatment 0.258 0.0106 0.53 0.259 0.0154 0.84 0.9684 0.9739 1635494 IFLab1_005552 OC(c1c[nH]c2ccccc12)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M09 compound treatment 0.257 0.00963 0.48 0.256 0.0124 0.68 0.8171 0.9847 1873677 IFLab1_005553 CC1CCCC(C)N1CC(O)COc2ccc(NC(=O)C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M10 compound treatment 0.251 0.00363 0.18 0.252 0.0084 0.46 0.4525 0.9155 2068425 IFLab1_005554 CC(C)OCC(O)CN1CCN(CC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M11 compound treatment 0.252 0.00463 0.23 0.253 0.0094 0.52 0.5262 0.9332 2068426 IFLab1_005555 Cc1ccc(NC2OC(=O)c3ccccc23)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M12 compound treatment 0.259 0.0116 0.57 0.256 0.0124 0.68 0.887 0.9965 2068427 IFLab1_005556 O=C(CSc1nccc2ccccc12)N3CCN(CC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M13 compound treatment 0.249 0.00163 0.08 0.25 0.0064 0.35 0.3052 0.8475 2068428 IFLab1_005557 CC(=O)N1CCc2c(C(=O)N)c(NC(=O)Cc3ccccc3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M14 compound treatment 0.252 0.00463 0.23 0.249 0.0054 0.3 0.3711 0.9919 2068429 IFLab1_005558 CCN(CC)C(=O)C1C2C3CCCCC3(NC1=O)Oc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M15 compound treatment 0.244 -0.00337 -0.17 0.249 0.0054 0.3 0.0918 0.2704 2068430 IFLab1_005559 COC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M16 compound treatment 0.25 0.00263 0.13 0.253 0.0094 0.52 0.4564 0.8586 2068431 IFLab1_005560 CC(C)(C)c1ccc(OCc2nc3ccccc3[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M17 compound treatment 0.304 0.0566 2.8 0.3 0.0564 3.09 4.1642 0.9987 2068432 IFLab1_005561 CCC(=O)Nc1nc2c(C)c(C)ccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M18 compound treatment 0.258 0.0106 0.53 0.26 0.0164 0.9 1.0071 0.9672 1186605 IFLab1_005562 CC1CC(C)CN(CC(O)Cn2c3ccccc3c4ccccc24)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M19 compound treatment 0.254 0.00663 0.33 0.257 0.0134 0.73 0.7511 0.9338 2068433 IFLab1_005563 CSc1nc2ccc(NC(=O)C3=COCCO3)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M20 compound treatment 0.247 -3.67E-4 -0.02 0.254 0.0104 0.57 0.3904 0.6843 1636064 IFLab1_005564 Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M21 compound treatment 0.253 0.00563 0.28 0.255 0.0114 0.63 0.6387 0.9335 2068434 IFLab1_005565 O=C(Nc1sc2CCCc2c1C#N)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M22 compound treatment 0.254 0.00663 0.33 0.256 0.0124 0.68 0.7124 0.9439 2068435 IFLab1_005566 Cc1cccc(/N=C\2/NC(=O)C(Cc3cccc(c3)C(F)(F)F)S2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M23 mock treatment 0.249 0.00163 0.08 0.251 0.0074 0.41 0.3439 0.8314 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 M24 mock treatment 0.247 -3.67E-4 -0.02 0.221 -0.0226 -1.24 -0.889 -0.7174 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N01 compound treatment 0.237 -0.0104 -0.51 0.228 -0.0156 -0.86 -0.9668 -0.9699 2068436 IFLab1_005567 NC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N02 compound treatment 0.249 0.00163 0.08 0.248 0.0044 0.24 0.2276 0.8948 2068437 IFLab1_005568 CC(=O)Nc1nnc(o1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N03 compound treatment 0.254 0.00663 0.33 0.25 0.0064 0.35 0.4798 0.9994 2068438 IFLab1_005569 NC(=O)c1ccsc1NC(=O)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N04 compound treatment 0.249 0.00163 0.08 0.245 0.0014 0.08 0.1113 0.9997 2068439 IFLab1_005570 CCn1c(=NC(=O)c2cccs2)sc3cc(Cl)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N05 compound treatment 0.255 0.00763 0.38 0.258 0.0144 0.79 0.8248 0.9428 2068440 IFLab1_005571 CNC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N06 compound treatment 0.256 0.00863 0.43 0.253 0.0094 0.52 0.6659 0.9956 2068441 IFLab1_005572 COC(=O)c1c(sc2CC(C)CCc12)N3C(=O)C=CC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N07 compound treatment 0.256 0.00863 0.43 0.252 0.0084 0.46 0.6271 0.9993 2068442 IFLab1_005573 COCCn1c(=NC(=O)/C=C/c2cccs2)sc3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N08 compound treatment 0.269 0.0216 1.07 0.272 0.0284 1.56 1.8565 0.9831 2068443 IFLab1_005574 O=C(CCOc1ccccc1)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N09 compound treatment 0.249 0.00163 0.08 0.249 0.0054 0.3 0.2664 0.8681 2068444 IFLab1_005575 CCN(CC)c1ccc(cc1)C(=O)N=c2sc3cc(OC)ccc3n2CCOC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N10 compound treatment 0.255 0.00763 0.38 0.277 0.0334 1.83 1.5615 0.8351 2068445 IFLab1_005576 CCCC(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N11 compound treatment 0.249 0.00163 0.08 0.254 0.0104 0.57 0.4602 0.7992 2068446 IFLab1_005577 FC(F)(F)c1ccccc1NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N12 compound treatment 0.251 0.00363 0.18 0.251 0.0074 0.41 0.4138 0.9327 2068447 IFLab1_005578 Cc1ccc(c(C)c1)n2ncc3c(O)ncnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N13 compound treatment 0.277 0.0296 1.46 0.272 0.0284 1.56 2.1358 0.9995 2068448 IFLab1_005579 NS(=O)(=O)c1ccc2n(CC=C)c(=NC(=O)c3cccs3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N14 compound treatment 0.259 0.0116 0.57 0.259 0.0154 0.84 1.0033 0.9824 2068449 IFLab1_005580 COc1ccccc1C(=O)NCCn2cc(SC(=N)N)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N15 compound treatment 0.252 0.00463 0.23 0.247 0.0034 0.19 0.2936 0.9948 1867574 IFLab1_005581 CC1(C)C2(C)CCC1(OC2=O)C(=O)N3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N16 compound treatment 0.269 0.0216 1.07 0.275 0.0314 1.72 1.9728 0.9737 2068450 IFLab1_005582 Nc1nc(cs1)c2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N17 compound treatment 0.25 0.00263 0.13 0.261 0.0174 0.95 0.7666 0.7961 2068451 IFLab1_005583 Clc1ccc(s1)S(=O)(=O)NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N18 compound treatment 0.246 -0.00137 -0.07 0.244 4.0E-4 0.02 -0.0322 -0.4539 1725012 IFLab1_005584 CC(=O)Nc1ccccc1OCC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N19 compound treatment 0.253 0.00563 0.28 0.251 0.0074 0.41 0.4836 0.983 2068452 IFLab1_005585 Clc1ccc(cc1)c2nnc(NC(=O)c3ccco3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N20 compound treatment 0.25 0.00263 0.13 0.251 0.0074 0.41 0.3789 0.8892 2068453 IFLab1_005586 CCOC(=O)c1cc(C(=O)N)c(SCC=C)[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N21 compound treatment 0.251 0.00363 0.18 0.256 0.0124 0.68 0.6076 0.8641 2068454 IFLab1_005587 Cc1ccc(cc1C)C(=O)Nc2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N22 compound treatment 0.242 -0.00537 -0.27 0.24 -0.0036 -0.2 -0.327 -0.9895 2068455 IFLab1_005588 Cc1sc(NC(=O)c2ccco2)c(C(N3CCOCC3)c4ccncc4)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N23 mock treatment 0.253 0.00563 0.28 0.253 0.0094 0.52 0.5611 0.9581 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 N24 mock treatment 0.247 -3.67E-4 -0.02 0.245 0.0014 0.08 0.0415 0.5259 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O01 compound treatment 0.228 -0.0194 -0.96 0.23 -0.0136 -0.75 -1.2035 -0.9924 2068456 IFLab1_005589 COc1ccc(Cl)cc1NC(=O)CC(NCCc2ccccc2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O02 compound treatment 0.246 -0.00137 -0.07 0.245 0.0014 0.08 0.0066 0.0642 2068457 IFLab1_005590 O=C(N1CCN(CC1)c2nc3ccccc3s2)C4=COCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O03 compound treatment 0.24 -0.00737 -0.36 0.239 -0.0046 -0.25 -0.4356 -0.984 2068458 IFLab1_005591 Cn1c(SCC(=O)c2ccccc2)nnc1c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O04 compound treatment 0.248 6.33E-4 0.03 0.251 0.0074 0.41 0.309 0.7594 2068459 IFLab1_005592 NC(=O)c1c(NC(=O)C2=COCCO2)sc3CCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O05 compound treatment 0.25 0.00263 0.13 0.251 0.0074 0.41 0.3789 0.8892 1306646 IFLab1_005593 CCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O06 compound treatment 0.258 0.0106 0.53 0.254 0.0104 0.57 0.7745 0.9992 2068460 IFLab1_005594 Cc1cc(NC(=O)c2ccc(s2)c3nc4ccccc4s3)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O07 compound treatment 0.246 -0.00137 -0.07 0.245 0.0014 0.08 0.0066 0.0642 2068461 IFLab1_005595 Cc1nnc(SCC(=O)O)n1/N=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O08 compound treatment 0.45 0.203 10.01 0.476 0.232 12.74 16.0858 0.9928 1616098 IFLab1_005596 CCN(CC)c1ccc2nc(C)c(=O)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O09 compound treatment 0.247 -3.67E-4 -0.02 0.245 0.0014 0.08 0.0415 0.5259 1873681 IFLab1_005597 CC(=O)Nc1ccc(OCC(O)CN2CCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O10 compound treatment 0.245 -0.00237 -0.12 0.238 -0.0056 -0.31 -0.2998 -0.9124 2068462 IFLab1_005598 CN1CCN(CC1)C(=O)c2cc3ccccc3nc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O11 compound treatment 0.241 -0.00637 -0.31 0.24 -0.0036 -0.2 -0.3619 -0.9748 2068463 IFLab1_005599 Cc1ccc(cc1)c2csc(NC3OC(=O)c4ccccc34)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O12 compound treatment 0.255 0.00763 0.38 0.25 0.0064 0.35 0.5147 0.9994 2068464 IFLab1_005600 COC(=O)c1ccccc1NC(=O)CSc2nc3ccccc3nc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O13 compound treatment 0.255 0.00763 0.38 0.257 0.0134 0.73 0.7861 0.9519 2068465 IFLab1_005601 COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc3CN(CCc13)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O14 compound treatment 0.27 0.0226 1.12 0.267 0.0234 1.28 1.6975 0.9976 2068466 IFLab1_005602 FC(F)(F)c1ccccc1NC2=NC(=O)CS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O15 compound treatment 0.252 0.00463 0.23 0.25 0.0064 0.35 0.4099 0.9785 2068467 IFLab1_005603 COC(=O)c1ccc2nc(NC(=O)CCOc3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O16 compound treatment 0.252 0.00463 0.23 0.256 0.0124 0.68 0.6425 0.8957 2068468 IFLab1_005604 COC(=O)CSc1nnc(o1)c2ccc(OC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O17 compound treatment 0.277 0.0296 1.46 0.275 0.0314 1.72 2.2521 0.9967 2068469 IFLab1_005605 CC(C)C(=O)Nc1nc2c(C)c(C)ccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O18 compound treatment 0.252 0.00463 0.23 0.254 0.0104 0.57 0.565 0.9196 1446160 IFLab1_005606 CC1CCN(CC(O)Cn2c3ccccc3c4ccccc24)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O19 compound treatment 0.24 -0.00737 -0.36 0.239 -0.0046 -0.25 -0.4356 -0.984 2068470 IFLab1_005607 O=C(Nc1nc2ccccc2s1)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O20 compound treatment 0.248 6.33E-4 0.03 0.25 0.0064 0.35 0.2702 0.7671 2068471 IFLab1_005608 CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O21 compound treatment 0.247 -3.67E-4 -0.02 0.245 0.0014 0.08 0.0415 0.5259 2068472 IFLab1_005609 O=C(Nc1sc2CCCCc2c1C#N)C3=COCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O22 compound treatment 0.245 -0.00237 -0.12 0.246 0.0024 0.13 0.0104 0.0591 2068473 IFLab1_005610 COC(=O)c1ccsc1NC(=O)CCOc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O23 mock treatment 0.249 0.00163 0.08 0.244 4.0E-4 0.02 0.0725 0.8679 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 O24 mock treatment 0.223 -0.0244 -1.2 0.228 -0.0156 -0.86 -1.4557 -0.986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P01 compound treatment 0.203 -0.0444 -2.19 0.203 -0.0406 -2.23 -3.1233 -1.0 2068474 IFLab1_005611 COc1ccc(C(=O)Nc2sccc2C(=O)N)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P02 compound treatment 0.231 -0.0164 -0.81 0.23 -0.0136 -0.75 -1.0988 -0.9992 2068475 IFLab1_005612 O=C(Nc1nnc(o1)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P03 compound treatment 0.244 -0.00337 -0.17 0.229 -0.0146 -0.8 -0.6836 -0.8361 2068476 IFLab1_005613 NC(=O)c1ccsc1NC(=O)c2ccc3CCCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P04 compound treatment 0.236 -0.0114 -0.56 0.218 -0.0256 -1.4 -1.3894 -0.9191 2068477 IFLab1_005614 CCn1c(=NC(=O)C2CC2)sc3cc(Cl)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P05 compound treatment 0.236 -0.0114 -0.56 0.245 0.0014 0.08 -0.3426 -0.6048 2068478 IFLab1_005615 CNC(=O)c1ccsc1NC(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P06 compound treatment 0.244 -0.00337 -0.17 0.246 0.0024 0.13 -0.0245 -0.1156 2068479 IFLab1_005616 O=C(Nc1sccc1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P07 compound treatment 0.233 -0.0144 -0.71 0.23 -0.0136 -0.75 -1.0289 -0.9997 2068480 IFLab1_005617 COCCn1c(=NC(=O)C)sc2cc(ccc12)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P08 compound treatment 0.23 -0.0174 -0.86 0.233 -0.0106 -0.58 -1.0174 -0.982 2068481 IFLab1_005618 COC(=O)c1ccc(cc1)C(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P09 compound treatment 0.243 -0.00437 -0.22 0.236 -0.0076 -0.42 -0.4471 -0.953 2068482 IFLab1_005619 OC(=O)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P10 compound treatment 0.24 -0.00737 -0.36 0.239 -0.0046 -0.25 -0.4356 -0.984 2068483 IFLab1_005620 O=C(CCc1ccccc1)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P11 compound treatment 0.242 -0.00537 -0.27 0.231 -0.0126 -0.69 -0.6759 -0.9135 2068484 IFLab1_005621 CC(C)(C)NC(=O)CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P12 compound treatment 0.237 -0.0104 -0.51 0.232 -0.0116 -0.64 -0.8117 -0.9942 1199381 IFLab1_005622 Cc1ccccc1c2nnc(N)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P13 compound treatment 0.241 -0.00637 -0.31 0.236 -0.0076 -0.42 -0.517 -0.9903 2068485 IFLab1_005623 NS(=O)(=O)c1ccc2n(CC=C)c(=NC(=O)/C=C/c3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P14 compound treatment 0.252 0.00463 0.23 0.245 0.0014 0.08 0.2161 0.8953 2068486 IFLab1_005624 Cc1nn(c(O)c1Sc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P15 compound treatment 0.242 -0.00537 -0.27 0.241 -0.0026 -0.14 -0.2882 -0.9577 1175473 IFLab1_005625 CC(=O)N1CCc2ccccc2C1CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P16 compound treatment 0.238 -0.00937 -0.46 0.223 -0.0206 -1.13 -1.1257 -0.9223 1719186 IFLab1_005626 Nc1nc2ccc(cc2s1)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P17 compound treatment 0.249 0.00163 0.08 0.25 0.0064 0.35 0.3052 0.8475 2068487 IFLab1_005627 O=C(NS(=O)(=O)c1ccc2OCCOc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P18 compound treatment 0.268 0.0206 1.02 0.261 0.0174 0.95 1.3951 0.9995 2068488 IFLab1_005628 CSC(C)C(=O)C1=C(O)c2ccccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P19 compound treatment 0.245 -0.00237 -0.12 0.238 -0.0056 -0.31 -0.2998 -0.9124 2068489 IFLab1_005629 Clc1ccc(cc1)c2nnc(NC(=O)CCOc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P20 compound treatment 0.239 -0.00837 -0.41 0.238 -0.0056 -0.31 -0.5093 -0.9893 2068490 IFLab1_005630 C=CCn1c2ccccc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P21 compound treatment 0.247 -3.67E-4 -0.02 0.237 -0.0066 -0.36 -0.2687 -0.7416 2068491 IFLab1_005631 Clc1c(sc2ccccc12)C(=O)Nc3nnc(o3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P22 compound treatment 0.225 -0.0224 -1.1 0.233 -0.0106 -0.58 -1.192 -0.955 2068492 IFLab1_005632 Cc1sc(NC(=O)c2ccco2)c(CN3CCN(CC3)c4ccccn4)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P23 mock treatment 0.247 -3.67E-4 -0.02 0.235 -0.0086 -0.47 -0.3462 -0.7337 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1427 P24 mock treatment 0.204 -0.0434 -2.14 0.203 -0.0406 -2.23 -3.0884 -0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A01 compound treatment 0.189 -0.0581 -2.87 0.18 -0.0669 -3.67 -4.6212 -0.9926 2068493 IFLab1_005633 Cc1sc(NC(=O)c2ccco2)c(CN3CCc4ccccc4C3)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A02 compound treatment 0.217 -0.0301 -1.49 0.214 -0.0329 -1.8 -2.3253 -0.9954 1875154 IFLab1_005634 CC(Oc1ccc(F)cc1)C(=O)Nc2ccccc2Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A03 compound treatment 0.219 -0.0281 -1.39 0.221 -0.0259 -1.42 -1.9841 -0.9999 2068494 IFLab1_005635 Fc1cccc(/C=C/C(=O)Nc2ccon2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A04 compound treatment 0.229 -0.0181 -0.89 0.224 -0.0229 -1.25 -1.5186 -0.9862 2068495 IFLab1_005636 CCN1C(=O)/C(=C/2\SC(=S)N(C3CCCC3)C2=O)/c4cc(Br)ccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A05 compound treatment 0.214 -0.0331 -1.63 0.232 -0.0149 -0.82 -1.7322 -0.9484 2068496 IFLab1_005637 Cc1ccc(o1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A06 compound treatment 0.22 -0.0271 -1.34 0.236 -0.0109 -0.6 -1.3676 -0.9336 2068497 IFLab1_005638 Cc1ccc(cc1)c2nc3sc(=Cc4cccs4)c(=O)n3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A07 compound treatment 0.245 -0.0021 -0.1 0.244 -0.00287 -0.16 -0.1845 -0.9793 1873189 IFLab1_005639 CC(C)c1cc(NCCN(C)C)n2c3ccccc3nc2c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A08 compound treatment 0.231 -0.0161 -0.79 0.244 -0.00287 -0.16 -0.6734 -0.831 2068498 IFLab1_005640 CCSc1nnc(c2ccco2)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A09 compound treatment 0.24 -0.0071 -0.35 0.24 -0.00687 -0.38 -0.5142 -0.9993 2068499 IFLab1_005641 CCC(C)Nc1ncnc2n(Cc3ccc(Cl)cc3)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A10 compound treatment 0.234 -0.0131 -0.65 0.23 -0.0169 -0.93 -1.1114 -0.9847 2068500 IFLab1_005642 FC(F)(F)c1ccccc1NC(=O)CSc2nc3sc4CCCc4c3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A11 compound treatment 0.219 -0.0281 -1.39 0.241 -0.00587 -0.32 -1.2087 -0.8486 2068501 IFLab1_005643 Cc1ccc(cc1C)N2CCN(CC2)C(=O)c3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A12 compound treatment 0.252 0.0049 0.24 0.252 0.00513 0.28 0.3701 0.9972 2068502 IFLab1_005644 CCOc1ccccc1Cn2c(=O)oc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A13 compound treatment 0.252 0.0049 0.24 0.262 0.0151 0.83 0.7578 0.8769 2068503 IFLab1_005645 COc1ccc(cc1OC)C2=N/C(=C/c3cccnc3)/C(=O)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A14 compound treatment 0.245 -0.0021 -0.1 0.235 -0.0119 -0.65 -0.5335 -0.8094 2068504 IFLab1_005646 Cc1cccc(OCC(O)CN2CCc3ccccc3C2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A15 compound treatment 0.238 -0.0091 -0.45 0.235 -0.0119 -0.65 -0.7779 -0.9836 2068505 IFLab1_005647 CN(C)C(=O)CSc1nc(nc2CCCCc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A16 compound treatment 0.24 -0.0071 -0.35 0.251 0.00413 0.23 -0.0877 -0.2103 2068506 IFLab1_005648 OC(COc1ccccc1Br)CN2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A17 compound treatment 0.241 -0.0061 -0.3 0.238 -0.00887 -0.49 -0.5568 -0.9734 2068507 IFLab1_005649 CCNc1c2-c3ccccc3C(=O)c4cccc(n(C)c1=O)c42 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A18 compound treatment 0.251 0.0039 0.19 0.249 0.00213 0.12 0.2188 0.9711 2068508 IFLab1_005650 CCN1CCN(CCC(=O)Nc2sc3CCCCCc3c2C#N)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A19 compound treatment 0.233 -0.0141 -0.7 0.236 -0.0109 -0.6 -0.9137 -0.997 2068509 IFLab1_005651 CCCC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A20 compound treatment 0.22 -0.0271 -1.34 0.241 -0.00587 -0.32 -1.1738 -0.8529 2068510 IFLab1_005652 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A21 compound treatment 0.235 -0.0121 -0.6 0.237 -0.00987 -0.54 -0.8051 -0.9988 2068511 IFLab1_005653 O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N3CCCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A22 compound treatment 0.23 -0.0171 -0.84 0.226 -0.0209 -1.14 -1.4062 -0.9888 2068512 IFLab1_005654 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(Oc3ccccc3C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A23 mock treatment 0.232 -0.0151 -0.75 0.218 -0.0289 -1.58 -1.6465 -0.941 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 A24 mock treatment 0.198 -0.0491 -2.42 0.2 -0.0469 -2.57 -3.5316 -0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B01 compound treatment 0.209 -0.0381 -1.88 0.211 -0.0359 -1.97 -2.721 -0.9998 2068513 IFLab1_005655 Cc1nnc(SCC(=O)NCc2ccc3OCOc3c2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B02 compound treatment 0.251 0.0039 0.19 0.25 0.00313 0.17 0.2576 0.9983 2068514 IFLab1_005656 COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4c(C)cccc34)c(=O)oc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B03 compound treatment 0.255 0.0079 0.39 0.255 0.00813 0.45 0.5911 0.9978 1438875 IFLab1_005657 Cc1sc(NC(=O)C(c2ccccc2)c3ccccc3)c(C(=O)N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B04 compound treatment 0.252 0.0049 0.24 0.253 0.00613 0.34 0.4088 0.9871 2068515 IFLab1_005658 COc1ccc(cc1C)S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B05 compound treatment 0.258 0.0109 0.54 0.258 0.0111 0.61 0.8122 0.9981 2068516 IFLab1_005659 Cn1cc(C(=O)Cc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B06 compound treatment 0.252 0.0049 0.24 0.25 0.00313 0.17 0.2925 0.9858 2068517 IFLab1_005660 Cc1ccc(cc1)C(=O)COC(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B07 compound treatment 0.275 0.0279 1.38 0.275 0.0281 1.54 2.0649 0.9984 2068518 IFLab1_005661 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCCCC2)/C=C/c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B08 compound treatment 0.26 0.0129 0.64 0.26 0.0131 0.72 0.9596 0.9981 2068519 IFLab1_005662 Cc1cccc(c1)N2C(=O)CC(Sc3ncccc3C(=O)O)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B09 compound treatment 0.262 0.0149 0.74 0.262 0.0151 0.83 1.1069 0.9982 1480619 IFLab1_005663 Cc1cc(Br)ccc1OCC(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B10 compound treatment 0.254 0.0069 0.34 0.254 0.00713 0.39 0.5174 0.9977 2068520 IFLab1_005664 Fc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B11 compound treatment 0.256 0.0089 0.44 0.253 0.00613 0.34 0.5485 0.9912 2068521 IFLab1_005665 Cc1ccc(/C=C/C(=O)N2CCCc3ccccc23)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B12 compound treatment 0.255 0.0079 0.39 0.253 0.00613 0.34 0.5136 0.9972 2068522 IFLab1_005666 CN1C(=O)/C(=C/c2c[nH]c3ccccc23)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B13 compound treatment 0.262 0.0149 0.74 0.264 0.0171 0.94 1.1845 0.9927 1860959 IFLab1_005667 CCC(=O)Nc1ccc(cc1)C(=O)n2ccc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B14 compound treatment 0.27 0.0229 1.13 0.261 0.0141 0.77 1.3475 0.983 2068523 IFLab1_005668 O=C(Nc1ccccc1)c2cc3ccccc3c(=O)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B15 compound treatment 0.254 0.0069 0.34 0.253 0.00613 0.34 0.4787 1.0 1172781 IFLab1_005669 C(NCc1ccccc1)C2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B16 compound treatment 0.26 0.0129 0.64 0.261 0.0141 0.77 0.9983 0.9953 1295216 IFLab1_005670 COc1ccc(cc1)C(=O)N2CCn3c2nc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B17 compound treatment 0.265 0.0179 0.88 0.263 0.0161 0.88 1.2505 1.0 1983615 IFLab1_005671 COC(=O)CCC(=O)N1CCc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B18 compound treatment 0.269 0.0219 1.08 0.264 0.0171 0.94 1.4289 0.9975 2068524 IFLab1_005672 O=C(Nc1ccc2[nH]c3CCCCc3c2c1)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B19 compound treatment 0.254 0.0069 0.34 0.252 0.00513 0.28 0.4399 0.9954 1183336 IFLab1_005673 O=C(COc1ccccc1)Nc2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B20 compound treatment 0.251 0.0039 0.19 0.249 0.00213 0.12 0.2188 0.9711 2068525 IFLab1_005674 CN1CCN(CC1)C(c2c(C)c(C)sc2NC(=O)c3ccco3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B21 compound treatment 0.256 0.0089 0.44 0.256 0.00913 0.5 0.6648 0.9979 1726674 IFLab1_005675 COC(=O)CCC(=O)Nc1sc2CCCCc2c1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B22 compound treatment 0.252 0.0049 0.24 0.251 0.00413 0.23 0.3313 0.9994 2068526 IFLab1_005676 COc1cc(c(OC)cc1Cl)S(=O)(=O)N(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B23 mock treatment 0.256 0.0089 0.44 0.254 0.00713 0.39 0.5873 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 B24 mock treatment 0.227 -0.0201 -0.99 0.232 -0.0149 -0.82 -1.2783 -0.9952 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C01 compound treatment 0.224 -0.0231 -1.14 0.228 -0.0189 -1.03 -1.5381 -0.9988 1530278 IFLab1_005677 O=c1oc(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C02 compound treatment 0.242 -0.0051 -0.25 0.243 -0.00387 -0.21 -0.328 -0.9964 2068527 IFLab1_005678 CCCN1C(=O)/C(=C/2\SC(=S)NC2=O)/c3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C03 compound treatment 0.244 -0.0031 -0.15 0.245 -0.00187 -0.1 -0.1807 -0.9811 2068528 IFLab1_005679 O=C1CC(SC(=N1)N2CCc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C04 compound treatment 0.247 -9.68E-5 0.0 0.248 0.00113 0.06 0.0404 0.6506 2068529 IFLab1_005680 CCN1C(=O)/C(=C/2\SC(=S)NC2=O)/c3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C05 compound treatment 0.241 -0.0061 -0.3 0.243 -0.00387 -0.21 -0.363 -0.9854 2068530 IFLab1_005681 COc1ccc(cc1O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C06 compound treatment 0.276 0.0289 1.43 0.273 0.0261 1.43 2.0223 1.0 2068531 IFLab1_005682 CCC1CCCCN1S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C07 compound treatment 0.24 -0.0071 -0.35 0.239 -0.00787 -0.43 -0.553 -0.9947 1873195 IFLab1_005683 CC(C)c1cc(NCCN2CCOCC2)n3c4ccccc4nc3c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C08 compound treatment 0.253 0.0059 0.29 0.252 0.00513 0.28 0.405 0.9998 2068532 IFLab1_005684 Cc1ccsc1C=c2sc3nc(nn3c2=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C09 compound treatment 0.247 -9.68E-5 0.0 0.248 0.00113 0.06 0.0404 0.6506 2068533 IFLab1_005685 Cc1ccc(Cn2ncc3c(ncnc23)N4CCOCC4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C10 compound treatment 0.239 -0.0081 -0.4 0.241 -0.00587 -0.32 -0.5103 -0.9942 1650368 IFLab1_005686 Cc1ccc(cc1)S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C11 compound treatment 0.24 -0.0071 -0.35 0.237 -0.00987 -0.54 -0.6305 -0.9779 2068534 IFLab1_005687 CCOc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C12 compound treatment 0.246 -0.0011 -0.05 0.246 -8.71E-4 -0.05 -0.0721 -0.998 2068535 IFLab1_005688 O=c1oc2ccccc2n1CCCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C13 compound treatment 0.241 -0.0061 -0.3 0.244 -0.00287 -0.16 -0.3242 -0.9543 2068536 IFLab1_005689 CC1CN(CC(C)O1)S(=O)(=O)CC2(CCC3CC2=O)C3(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C14 compound treatment 0.243 -0.0041 -0.2 0.247 1.29E-4 0.01 -0.138 -0.682 2068537 IFLab1_005690 Cc1cccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C15 compound treatment 0.238 -0.0091 -0.45 0.238 -0.00887 -0.49 -0.6616 -0.9992 2068538 IFLab1_005691 O=C(CSc1nc(nc2CCCCc12)c3ccccc3)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C16 compound treatment 0.247 -9.68E-5 0.0 0.248 0.00113 0.06 0.0404 0.6506 2068539 IFLab1_005692 CC1(C)CCCC(C)(C)N1CC(O)COc2ccccc2Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C17 compound treatment 0.249 0.0019 0.09 0.248 0.00113 0.06 0.1102 0.9795 1204795 IFLab1_005693 CNc1c2-c3ccccc3C(=O)c4cccc(n(C)c1=O)c42 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C18 compound treatment 0.251 0.0039 0.19 0.252 0.00513 0.28 0.3351 0.983 1592072 IFLab1_005694 Cc1nc(N2CCCC2)c3ccsc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C19 compound treatment 0.238 -0.0091 -0.45 0.24 -0.00687 -0.38 -0.584 -0.9962 2068540 IFLab1_005695 CN(C)S(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C20 compound treatment 0.235 -0.0121 -0.6 0.241 -0.00587 -0.32 -0.65 -0.9579 2068541 IFLab1_005696 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C21 compound treatment 0.241 -0.0061 -0.3 0.24 -0.00687 -0.38 -0.4793 -0.9938 1193718 IFLab1_005697 OC(=O)CCN1C(=O)C2C3CC(C=C3)C2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C22 compound treatment 0.241 -0.0061 -0.3 0.238 -0.00887 -0.49 -0.5568 -0.9734 2068542 IFLab1_005698 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C23 mock treatment 0.24 -0.0071 -0.35 0.237 -0.00987 -0.54 -0.6305 -0.9779 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 C24 mock treatment 0.233 -0.0141 -0.7 0.236 -0.0109 -0.6 -0.9137 -0.997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D01 compound treatment 0.246 -0.0011 -0.05 0.247 1.29E-4 0.01 -0.0333 -0.6096 2068543 IFLab1_005699 CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc3CCCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D02 compound treatment 0.246 -0.0011 -0.05 0.245 -0.00187 -0.1 -0.1108 -0.9554 2068544 IFLab1_005700 COc1ccc(cc1)C(=O)C(C)OC(=O)c2cc(C)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D03 compound treatment 0.255 0.0079 0.39 0.252 0.00513 0.28 0.4748 0.9871 2068545 IFLab1_005701 CCOC(=O)c1c(NC(=O)COc2ccccc2OC)sc3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D04 compound treatment 0.245 -0.0021 -0.1 0.242 -0.00487 -0.27 -0.2621 -0.9149 2068546 IFLab1_005702 COc1cc(C)c(cc1C)S(=O)(=O)N2CCN(CC2)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D05 compound treatment 0.249 0.0019 0.09 0.25 0.00313 0.17 0.1878 0.9599 1984307 IFLab1_005703 CNCCn1ccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D06 compound treatment 0.256 0.0089 0.44 0.256 0.00913 0.5 0.6648 0.9979 2068547 IFLab1_005704 CC(OC(=O)c1cc2ccccc2oc1=O)C(=O)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D07 compound treatment 0.26 0.0129 0.64 0.261 0.0141 0.77 0.9983 0.9953 2068548 IFLab1_005705 CN(C(=O)C)c1ccc(NC(=O)/C=C/c2ccco2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D08 compound treatment 0.256 0.0089 0.44 0.254 0.00713 0.39 0.5873 0.9983 2068549 IFLab1_005706 CCOc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D09 compound treatment 0.254 0.0069 0.34 0.249 0.00213 0.12 0.3236 0.8981 1587778 IFLab1_005707 Cc1cc(C)n(n1)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D10 compound treatment 0.253 0.0059 0.29 0.25 0.00313 0.17 0.3274 0.9681 2068550 IFLab1_005708 Cc1nc(cs1)c2ccc(NS(=O)(=O)C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D11 compound treatment 0.283 0.0359 1.77 0.279 0.0321 1.76 2.4993 1.0 2068551 IFLab1_005709 CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D12 compound treatment 0.244 -0.0031 -0.15 0.244 -0.00287 -0.16 -0.2194 -0.9999 1727105 IFLab1_005710 Cc1cc(C)c(cc1C)S(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D13 compound treatment 0.258 0.0109 0.54 0.258 0.0111 0.61 0.8122 0.9981 1860982 IFLab1_005711 Cc1ccn(n1)C(=O)c2ccc(NC(=O)C3CC3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D14 compound treatment 0.25 0.0029 0.14 0.253 0.00613 0.34 0.339 0.9279 2068552 IFLab1_005712 CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D15 compound treatment 0.248 9.03E-4 0.04 0.249 0.00213 0.12 0.1141 0.9129 2068553 IFLab1_005713 Cc1cc([nH]n1)C(=O)n2nc(C)cc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D16 compound treatment 0.25 0.0029 0.14 0.253 0.00613 0.34 0.339 0.9279 1527441 IFLab1_005714 O=C(N1CCn2c1nc3ccccc23)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D17 compound treatment 0.258 0.0109 0.54 0.258 0.0111 0.61 0.8122 0.9981 2068554 IFLab1_005715 CC(=O)N/C(=C\c1ccccc1)/C(=O)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D18 compound treatment 0.248 9.03E-4 0.04 0.252 0.00513 0.28 0.2304 0.8091 2068555 IFLab1_005716 O=C(Nc1ccc2[nH]c3CCCCc3c2c1)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D19 compound treatment 0.253 0.0059 0.29 0.251 0.00413 0.23 0.3662 0.9922 1515305 IFLab1_005717 COC(=O)CCC(=O)Nc1nc(cs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D20 compound treatment 0.25 0.0029 0.14 0.249 0.00213 0.12 0.1839 0.9948 2068556 IFLab1_005718 CC1(C)CC(CC(C)(C)N1)NS(=O)(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D21 compound treatment 0.249 0.0019 0.09 0.248 0.00113 0.06 0.1102 0.9795 1351356 IFLab1_005719 Cc1ccc(OCC(=O)N2CCCc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D22 compound treatment 0.25 0.0029 0.14 0.249 0.00213 0.12 0.1839 0.9948 2068557 IFLab1_005720 COc1ccc(c(C)c1C)S(=O)(=O)N2CCN(C)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D23 mock treatment 0.247 -9.68E-5 0.0 0.247 1.29E-4 0.01 0.0016 0.1902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 D24 mock treatment 0.245 -0.0021 -0.1 0.245 -0.00187 -0.1 -0.1458 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E01 compound treatment 0.247 -9.68E-5 0.0 0.243 -0.00387 -0.21 -0.1535 -0.7228 2068558 IFLab1_005721 COC(=O)c1ccc(/C=N/n2cnnc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E02 compound treatment 0.259 0.0119 0.59 0.258 0.0111 0.61 0.8471 0.9998 2068559 IFLab1_005722 Oc1nc(cc(n1)C(F)(F)F)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E03 compound treatment 0.252 0.0049 0.24 0.252 0.00513 0.28 0.3701 0.9972 2068560 IFLab1_005723 O=C(N1CCc2ccccc12)c3ccc(cc3)S(=O)(=O)NCC4CCCO4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E04 compound treatment 0.293 0.0459 2.27 0.298 0.0511 2.8 3.5851 0.9944 2068561 IFLab1_005724 CC(C)N1C(=O)/C(=C\2/C(=O)N(CC(=O)O)c3ccc(Br)cc23)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E05 compound treatment 0.248 9.03E-4 0.04 0.248 0.00113 0.06 0.0753 0.9871 2068562 IFLab1_005725 O=C1CCCC2=C1C(C3=C(CCCC3=O)O2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E06 compound treatment 0.255 0.0079 0.39 0.254 0.00713 0.39 0.5524 1.0 2068563 IFLab1_005726 CC(C)Oc1ccc(cc1)C(=O)NC2CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E07 compound treatment 0.255 0.0079 0.39 0.255 0.00813 0.45 0.5911 0.9978 1016316 IFLab1_005727 Oc1ncnc2n(Cc3ccccc3)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E08 compound treatment 0.268 0.0209 1.03 0.263 0.0161 0.88 1.3552 0.997 2068564 IFLab1_005728 CC(=O)Nc1c(nc2ncccn12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E09 compound treatment 0.334 0.0869 4.29 0.331 0.0841 4.61 6.2962 0.9993 2068565 IFLab1_005729 Cc1ccc(Cn2ncc3c(Nc4ccc(C)cc4)ncnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E10 compound treatment 0.297 0.0499 2.46 0.291 0.0441 2.42 3.4534 1.0 1470713 IFLab1_005730 Cc1ccc(cc1)S(=O)(=O)c2nc(NN)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E11 compound treatment 0.245 -0.0021 -0.1 0.244 -0.00287 -0.16 -0.1845 -0.9793 1264560 IFLab1_005731 COC(=O)c1cc(Br)ccc1NC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E12 compound treatment 0.257 0.0099 0.49 0.257 0.0101 0.56 0.7385 0.998 1050406 IFLab1_005732 Cc1cccc(OCC(O)CN2CCCCC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E13 compound treatment 0.259 0.0119 0.59 0.253 0.00613 0.34 0.6533 0.9648 2068566 IFLab1_005733 CC(C)(C)N/C(=N/S(=O)(=O)c1cccs1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E14 compound treatment 0.257 0.0099 0.49 0.257 0.0101 0.56 0.7385 0.998 1051147 IFLab1_005734 Cc1cccc(OCC(O)CN2CCN(CC2)c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E15 compound treatment 0.256 0.0089 0.44 0.253 0.00613 0.34 0.5485 0.9912 2068567 IFLab1_005735 FC(F)(F)c1ccc2SC(CC(=O)NC3CCCCC3)C(=O)Nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E16 compound treatment 0.252 0.0049 0.24 0.253 0.00613 0.34 0.4088 0.9871 2068568 IFLab1_005736 COc1ccc2c(Cl)c(sc2c1)c3nnc(SCC(=O)N)n3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E17 compound treatment 0.258 0.0109 0.54 0.264 0.0171 0.94 1.0448 0.9651 1229014 IFLab1_005737 CCOC(=O)c1c2-c3ccccc3C(=O)c4cccc([nH]c1=O)c42 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E18 compound treatment 0.261 0.0139 0.69 0.26 0.0131 0.72 0.9945 0.9997 1465443 IFLab1_005738 COC(=O)c1c(N)sc2CCCCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E19 compound treatment 0.265 0.0179 0.88 0.272 0.0251 1.38 1.5994 0.977 2068569 IFLab1_005739 CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E20 compound treatment 0.25 0.0029 0.14 0.25 0.00313 0.17 0.2227 0.996 2068570 IFLab1_005740 COc1cccc(c1)S(=O)(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E21 compound treatment 0.247 -9.68E-5 0.0 0.247 1.29E-4 0.01 0.0016 0.1902 2068571 IFLab1_005741 COC(=O)C1Sc2[nH]c(=O)sc2C(C1C(=O)OC)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E22 compound treatment 0.251 0.0039 0.19 0.248 0.00113 0.06 0.1801 0.8895 2068572 IFLab1_005742 CCN1CCN(CC1)S(=O)(=O)c2ccc(Oc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E23 mock treatment 0.249 0.0019 0.09 0.247 1.29E-4 0.01 0.0715 0.7582 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 E24 mock treatment 0.246 -0.0011 -0.05 0.235 -0.0119 -0.65 -0.4985 -0.7633 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F01 compound treatment 0.244 -0.0031 -0.15 0.248 0.00113 0.06 -0.0644 -0.3901 1258274 IFLab1_005743 Cc1nnc(SCC(=O)Nc2ccc3OCCOc3c2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F02 compound treatment 0.255 0.0079 0.39 0.255 0.00813 0.45 0.5911 0.9978 2068573 IFLab1_005744 COc1ccc(cc1)C(=O)C(C)OC(=O)c2ccc3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F03 compound treatment 0.265 0.0179 0.88 0.27 0.0231 1.27 1.5219 0.9844 1243591 IFLab1_005745 O=C(Cc1ccccc1)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F04 compound treatment 0.268 0.0209 1.03 0.27 0.0231 1.27 1.6266 0.9948 2068574 IFLab1_005746 COc1cc(Cl)ccc1S(=O)(=O)N2CCN(CC2)c3ccc(C)c(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F05 compound treatment 0.251 0.0039 0.19 0.252 0.00513 0.28 0.3351 0.983 1223953 IFLab1_005747 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCCC2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F06 compound treatment 0.259 0.0119 0.59 0.259 0.0121 0.67 0.8859 0.9981 2068575 IFLab1_005748 CCC(=O)c1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F07 compound treatment 0.264 0.0169 0.83 0.266 0.0191 1.05 1.3319 0.9936 2068576 IFLab1_005749 O=C(Nc1ccc(Oc2ccccc2)cc1)/C=C/c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F08 compound treatment 0.267 0.0199 0.98 0.266 0.0191 1.05 1.4366 0.9995 2068577 IFLab1_005750 CCOc1cc(ccc1OC)C(C#N)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F09 compound treatment 0.253 0.0059 0.29 0.254 0.00713 0.39 0.4825 0.9896 2068578 IFLab1_005751 O=C(C1CC1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F10 compound treatment 0.259 0.0119 0.59 0.26 0.0131 0.72 0.9247 0.9949 2068579 IFLab1_005752 Clc1ccc(cc1)S(=O)(=O)N2CCSC2c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F11 compound treatment 0.255 0.0079 0.39 0.255 0.00813 0.45 0.5911 0.9978 2068580 IFLab1_005753 O=C(/C=C/c1ccco1)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F12 compound treatment 0.245 -0.0021 -0.1 0.249 0.00213 0.12 0.0093 0.0598 1372844 IFLab1_005754 Cc1cc(C)c(cc1C)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F13 compound treatment 0.265 0.0179 0.88 0.266 0.0191 1.05 1.3668 0.9964 2068581 IFLab1_005755 O=C(C1CC1)N2CCNC(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F14 compound treatment 0.255 0.0079 0.39 0.258 0.0111 0.61 0.7074 0.9767 2068582 IFLab1_005756 COc1cccc(CC2(O)C(=O)Nc3ccccc32)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F15 compound treatment 0.259 0.0119 0.59 0.258 0.0111 0.61 0.8471 0.9998 2068583 IFLab1_005757 CC(C)(C)OC(=O)N1CCNC(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F16 compound treatment 0.26 0.0129 0.64 0.258 0.0111 0.61 0.882 0.9998 2068584 IFLab1_005758 CS(=O)(=O)N1CCn2c1nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F17 compound treatment 0.382 0.135 6.66 0.372 0.125 6.86 9.5619 0.9999 1136002 IFLab1_005759 O=C(Nc1ccc(cc1)C(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F18 compound treatment 0.264 0.0169 0.83 0.266 0.0191 1.05 1.3319 0.9936 2068585 IFLab1_005760 Cc1ccn2cc(CSc3ncccn3)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F19 compound treatment 0.268 0.0209 1.03 0.267 0.0201 1.1 1.5103 0.9994 1450947 IFLab1_005761 Cc1ccc(OCC(=O)Nc2sc3CCCCc3c2C(=O)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F20 compound treatment 0.257 0.0099 0.49 0.26 0.0131 0.72 0.8548 0.9823 2068586 IFLab1_005762 CCOc1ccc(c2ccccc12)S(=O)(=O)NC3CC(C)(C)NC(C)(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F21 compound treatment 0.255 0.0079 0.39 0.255 0.00813 0.45 0.5911 0.9978 1520384 IFLab1_005763 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F22 compound treatment 0.252 0.0049 0.24 0.249 0.00213 0.12 0.2538 0.944 2068587 IFLab1_005764 CCOc1ccc(Cl)cc1S(=O)(=O)N2CCCC(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F23 mock treatment 0.257 0.0099 0.49 0.257 0.0101 0.56 0.7385 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 F24 mock treatment 0.248 9.03E-4 0.04 0.251 0.00413 0.23 0.1916 0.8305 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G01 compound treatment 0.231 -0.0161 -0.79 0.242 -0.00487 -0.27 -0.7509 -0.8955 1241260 IFLab1_005765 CCOC(=O)c1ccc(NC(=O)c2ccccc2OC(=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G02 compound treatment 0.254 0.0069 0.34 0.253 0.00613 0.34 0.4787 1.0 2068588 IFLab1_005766 CCCN1C(=O)/C(=C/2\SC(=S)N(CC=C)C2=O)/c3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G03 compound treatment 0.248 9.03E-4 0.04 0.249 0.00213 0.12 0.1141 0.9129 1357017 IFLab1_005767 O=S(=O)(N1CCCC1)c2ccc(cc2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G04 compound treatment 0.257 0.0099 0.49 0.254 0.00713 0.39 0.6222 0.9938 2068589 IFLab1_005768 CC(Oc1ccc(F)cc1)C(=O)Oc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G05 compound treatment 0.239 -0.0081 -0.4 0.241 -0.00587 -0.32 -0.5103 -0.9942 1551594 IFLab1_005769 Oc1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G06 compound treatment 0.256 0.0089 0.44 0.257 0.0101 0.56 0.7036 0.9933 2068590 IFLab1_005770 CC(C)Oc1ccc(cc1)C(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G07 compound treatment 0.252 0.0049 0.24 0.258 0.0111 0.61 0.6027 0.9181 2068591 IFLab1_005771 Clc1ccc(Cn2ncc3c(ncnc23)N4CCCCC4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G08 compound treatment 0.265 0.0179 0.88 0.262 0.0151 0.83 1.2117 0.9995 2068592 IFLab1_005772 Cc1cc(C)n(n1)C(=O)CNC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G09 compound treatment 0.252 0.0049 0.24 0.25 0.00313 0.17 0.2925 0.9858 2068593 IFLab1_005773 CC1CCN(CC1)c2ncnc3n(Cc4ccc(C)cc4)ncc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G10 compound treatment 0.248 9.03E-4 0.04 0.251 0.00413 0.23 0.1916 0.8305 1741156 IFLab1_005774 Cc1ccc(cc1)c2nnnn2CS(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G11 compound treatment 0.253 0.0059 0.29 0.248 0.00113 0.06 0.2499 0.8386 1719877 IFLab1_005775 COc1ccccc1N(CC(O)CN2C(C)CCCC2C)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G12 compound treatment 0.256 0.0089 0.44 0.251 0.00413 0.23 0.471 0.9524 2068594 IFLab1_005776 CC1CC(C)CN(CC(O)COc2cccc(C)c2)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G13 compound treatment 0.255 0.0079 0.39 0.252 0.00513 0.28 0.4748 0.9871 2068595 IFLab1_005777 CN(C)C(=O)CSc1nc(N)cc(O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G14 compound treatment 0.247 -9.68E-5 0.0 0.248 0.00113 0.06 0.0404 0.6506 2068596 IFLab1_005778 CCN1CCN(CC(O)COc2cccc(C)c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G15 compound treatment 0.251 0.0039 0.19 0.252 0.00513 0.28 0.3351 0.983 2068597 IFLab1_005779 OC(=O)c1ccccc1SC2CC(=O)N(C3CCCCC3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G16 compound treatment 0.25 0.0029 0.14 0.25 0.00313 0.17 0.2227 0.996 2068598 IFLab1_005780 CCOC(=O)N1CCN(CC1)C(=O)c2sc3cc(F)ccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G17 compound treatment 0.268 0.0209 1.03 0.27 0.0231 1.27 1.6266 0.9948 1874324 IFLab1_005781 COC(=O)c1c2C(=O)c3ccccc3C(=O)c2n4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G18 compound treatment 0.254 0.0069 0.34 0.246 -8.71E-4 -0.05 0.2073 0.6022 2068599 IFLab1_005782 C(Nc1ncnc2sccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G19 compound treatment 0.275 0.0279 1.38 0.285 0.0381 2.09 2.4526 0.9795 2068600 IFLab1_005783 CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G20 compound treatment 0.249 0.0019 0.09 0.247 1.29E-4 0.01 0.0715 0.7582 2068601 IFLab1_005784 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G21 compound treatment 0.251 0.0039 0.19 0.246 -8.71E-4 -0.05 0.1025 0.5163 1874958 IFLab1_005785 COc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2C(=O)NCc4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G22 compound treatment 0.246 -0.0011 -0.05 0.251 0.00413 0.23 0.1218 0.5232 2068602 IFLab1_005786 FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)N2CCN(CC2)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G23 mock treatment 0.252 0.0049 0.24 0.246 -8.71E-4 -0.05 0.1374 0.5569 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 G24 mock treatment 0.248 9.03E-4 0.04 0.25 0.00313 0.17 0.1529 0.8623 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H01 compound treatment 0.245 -0.0021 -0.1 0.247 1.29E-4 0.01 -0.0682 -0.6573 2068603 IFLab1_005787 Cc1cc2ccccc2n3c(SCC(=O)NCC4CCCO4)nnc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H02 compound treatment 0.247 -9.68E-5 0.0 0.251 0.00413 0.23 0.1567 0.692 1436799 IFLab1_005788 Clc1ccc(cc1Cl)C(=O)COC(=O)c2ccc3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H03 compound treatment 0.257 0.0099 0.49 0.252 0.00513 0.28 0.5447 0.9655 1430777 IFLab1_005789 COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H04 compound treatment 0.254 0.0069 0.34 0.255 0.00813 0.45 0.5562 0.9912 2068604 IFLab1_005790 Nc1nc(cs1)c2cccc(NS(=O)(=O)c3ccccc3)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H05 compound treatment 0.255 0.0079 0.39 0.25 0.00313 0.17 0.3973 0.9319 2068605 IFLab1_005791 COC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H06 compound treatment 0.243 -0.0041 -0.2 0.244 -0.00287 -0.16 -0.2544 -0.9923 2068606 IFLab1_005792 NC(=O)C1CCN(CC1)C(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H07 compound treatment 0.259 0.0119 0.59 0.259 0.0121 0.67 0.8859 0.9981 1588356 IFLab1_005793 Cc1sc(NC(=O)C2CC2)c(C(=O)N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H08 compound treatment 0.317 0.0699 3.45 0.321 0.0741 4.06 5.3149 0.9967 2068607 IFLab1_005794 COc1cccc(c1)C2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H09 compound treatment 0.265 0.0179 0.88 0.266 0.0191 1.05 1.3668 0.9964 1703452 IFLab1_005795 Cc1cc(C)n(n1)C(=O)c2ccc(NC(=O)C3CC3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H10 compound treatment 0.253 0.0059 0.29 0.254 0.00713 0.39 0.4825 0.9896 2068608 IFLab1_005796 CS(=O)(=O)N1CCSC1c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H11 compound treatment 0.244 -0.0031 -0.15 0.242 -0.00487 -0.27 -0.297 -0.965 2068609 IFLab1_005797 CN(Cc1ccccc1)C(=O)/C=C/c2ccc(C)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H12 compound treatment 0.267 0.0199 0.98 0.264 0.0171 0.94 1.3591 0.9997 2068610 IFLab1_005798 COc1ccc2cc(sc(=O)c2c1OC)C(=O)OC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H13 compound treatment 0.251 0.0039 0.19 0.256 0.00913 0.5 0.4902 0.914 1243065 IFLab1_005799 OC(=O)C1CCCCC1C(=O)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H14 compound treatment 0.247 -9.68E-5 0.0 0.252 0.00513 0.28 0.1955 0.695 1145455 IFLab1_005800 CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H15 compound treatment 0.261 0.0139 0.69 0.259 0.0121 0.67 0.9557 0.9999 2068611 IFLab1_005801 CC(=O)Oc1cn(C)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H16 compound treatment 0.25 0.0029 0.14 0.253 0.00613 0.34 0.339 0.9279 2068612 IFLab1_005802 COC(=O)Oc1ccc2c3CCCCc3c(=O)oc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H17 compound treatment 0.315 0.0679 3.35 0.317 0.0701 3.85 5.09 0.9977 1482525 IFLab1_005803 Nc1c(sc2nc3CCCc3cc12)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H18 compound treatment 0.247 -9.68E-5 0.0 0.253 0.00613 0.34 0.2342 0.697 2068613 IFLab1_005804 Cc1cccc2nc(CSC(=S)NCC3CCCO3)cn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H19 compound treatment 0.255 0.0079 0.39 0.251 0.00413 0.23 0.436 0.9665 2068614 IFLab1_005805 O=C(N1CCc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H20 compound treatment 0.253 0.0059 0.29 0.251 0.00413 0.23 0.3662 0.9922 2068615 IFLab1_005806 COc1cc(C)c(C)cc1S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H21 compound treatment 0.249 0.0019 0.09 0.256 0.00913 0.5 0.4204 0.8255 2068616 IFLab1_005807 CCCS(=O)(=O)N1CCN(CC1)c2ccccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H22 compound treatment 0.253 0.0059 0.29 0.246 -8.71E-4 -0.05 0.1724 0.5835 2068617 IFLab1_005808 CCOc1ccc(Cl)cc1S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H23 mock treatment 0.256 0.0089 0.44 0.255 0.00813 0.45 0.626 1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 H24 mock treatment 0.254 0.0069 0.34 0.256 0.00913 0.5 0.595 0.9825 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I01 compound treatment 0.245 -0.0021 -0.1 0.251 0.00413 0.23 0.0869 0.3489 1711638 IFLab1_005809 CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I02 compound treatment 0.254 0.0069 0.34 0.253 0.00613 0.34 0.4787 1.0 2068618 IFLab1_005810 COCCN1C(=O)/C(=C/c2cn(nc2c3ccccc3)c4ccccc4)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I03 compound treatment 0.252 0.0049 0.24 0.251 0.00413 0.23 0.3313 0.9994 2068619 IFLab1_005811 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccn4)C(=O)CC(C)(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I04 compound treatment 0.248 9.03E-4 0.04 0.248 0.00113 0.06 0.0753 0.9871 1875413 IFLab1_005812 CC(Oc1ccc(F)cc1)C(=O)Oc2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I05 compound treatment 0.254 0.0069 0.34 0.255 0.00813 0.45 0.5562 0.9912 1664813 IFLab1_005813 Clc1ccccc1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I06 compound treatment 0.272 0.0249 1.23 0.268 0.0211 1.16 1.6888 0.9996 2068620 IFLab1_005814 COC(=O)Nc1sc(nc1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I07 compound treatment 0.26 0.0129 0.64 0.26 0.0131 0.72 0.9596 0.9981 2068621 IFLab1_005815 CN1CCN(CC1)c2ncnc3n(Cc4ccc(Cl)cc4)ncc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I08 compound treatment 0.265 0.0179 0.88 0.264 0.0171 0.94 1.2892 0.9995 1351145 IFLab1_005816 COc1ccc(cc1OC)c2nnc(o2)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I09 compound treatment 0.257 0.0099 0.49 0.256 0.00913 0.5 0.6997 0.9999 1693765 IFLab1_005817 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCC(CC2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I10 compound treatment 0.258 0.0109 0.54 0.257 0.0101 0.56 0.7734 0.9999 1339994 IFLab1_005818 Cc1ccc(cc1)S(=O)(=O)CNC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I11 compound treatment 0.274 0.0269 1.33 0.269 0.0221 1.21 1.7974 0.999 2068622 IFLab1_005819 CCOC(=O)/C(=C\1/Sc2ccccc2N1C)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I12 compound treatment 0.258 0.0109 0.54 0.253 0.00613 0.34 0.6183 0.9743 2068623 IFLab1_005820 CC1CCCC(C)N1CC(O)COc2cccc(C)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I13 compound treatment 0.255 0.0079 0.39 0.258 0.0111 0.61 0.7074 0.9767 2068624 IFLab1_005821 CCN(CC)C(=O)CSc1nc(N)cc(O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I14 compound treatment 0.252 0.0049 0.24 0.248 0.00113 0.06 0.215 0.8602 1559508 IFLab1_005822 Cc1cccc(OCC(O)Cn2cnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I15 compound treatment 0.251 0.0039 0.19 0.25 0.00313 0.17 0.2576 0.9983 2068625 IFLab1_005823 CCc1ccccc1NC(=O)CC2SC(=N)NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I16 compound treatment 0.253 0.0059 0.29 0.252 0.00513 0.28 0.405 0.9998 1566329 IFLab1_005824 O=C(COC(=O)C1CCN(CC1)S(=O)(=O)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I17 compound treatment 0.263 0.0159 0.79 0.266 0.0191 1.05 1.2969 0.9898 2068626 IFLab1_005825 Nc1cc(O)nc(SCc2ccc(cc2)C(=O)c3ccccc3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I18 compound treatment 0.26 0.0129 0.64 0.261 0.0141 0.77 0.9983 0.9953 2068627 IFLab1_005826 Cc1sc2nc[nH]c(=O)c2c1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I19 compound treatment 0.257 0.0099 0.49 0.259 0.0121 0.67 0.816 0.9886 2068628 IFLab1_005827 CCCC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I20 compound treatment 0.252 0.0049 0.24 0.255 0.00813 0.45 0.4864 0.9589 2068629 IFLab1_005828 COc1cccc(c1)S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I21 compound treatment 0.252 0.0049 0.24 0.256 0.00913 0.5 0.5251 0.9445 2068630 IFLab1_005829 CCCN1C(=O)/C(=C\2/C(=O)N(Cc3ccc(C)cc3)c4ccccc24)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I22 compound treatment 0.258 0.0109 0.54 0.256 0.00913 0.5 0.7347 0.9993 1526180 IFLab1_005830 Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I23 mock treatment 0.257 0.0099 0.49 0.254 0.00713 0.39 0.6222 0.9938 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 I24 mock treatment 0.258 0.0109 0.54 0.259 0.0121 0.67 0.851 0.9945 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J01 compound treatment 0.239 -0.0081 -0.4 0.243 -0.00387 -0.21 -0.4328 -0.9561 2068631 IFLab1_005831 Cc1cc(O)n(n1)C(=S)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J02 compound treatment 0.238 -0.0091 -0.45 0.238 -0.00887 -0.49 -0.6616 -0.9992 2068632 IFLab1_005832 Brc1ccc(nc1)C(=O)OCC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J03 compound treatment 0.252 0.0049 0.24 0.251 0.00413 0.23 0.3313 0.9994 2068633 IFLab1_005833 Cn1ccnc1C(O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J04 compound treatment 0.255 0.0079 0.39 0.256 0.00913 0.5 0.6299 0.9924 2068634 IFLab1_005834 O=C(COC(=O)c1cccs1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J05 compound treatment 0.252 0.0049 0.24 0.249 0.00213 0.12 0.2538 0.944 1191156 IFLab1_005835 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J06 compound treatment 0.264 0.0169 0.83 0.268 0.0211 1.16 1.4094 0.9871 1131862 IFLab1_005836 Cc1cc(NCc2cccnc2)n3c4ccccc4nc3c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J07 compound treatment 0.266 0.0189 0.93 0.269 0.0221 1.21 1.518 0.9916 2068635 IFLab1_005837 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J08 compound treatment 0.255 0.0079 0.39 0.257 0.0101 0.56 0.6687 0.9851 2068636 IFLab1_005838 O=C(CSC1=C(C#N)C(CC(=O)N1)c2ccco2)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J09 compound treatment 0.265 0.0179 0.88 0.267 0.0201 1.1 1.4056 0.994 2068637 IFLab1_005839 COc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J10 compound treatment 0.248 9.03E-4 0.04 0.248 0.00113 0.06 0.0753 0.9871 2068638 IFLab1_005840 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCSC2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J11 compound treatment 0.245 -0.0021 -0.1 0.243 -0.00387 -0.21 -0.2233 -0.9455 2068639 IFLab1_005841 Cc1ccc(/C=C/C(=O)NCC2CCCO2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J12 compound treatment 0.249 0.0019 0.09 0.249 0.00213 0.12 0.149 0.9942 2068640 IFLab1_005842 CCOC(=O)c1cc2ccccc2c(=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J13 compound treatment 0.247 -9.68E-5 0.0 0.247 1.29E-4 0.01 0.0016 0.1902 1707491 IFLab1_005843 COc1cc(cc(OC)c1OC)C(=O)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J14 compound treatment 0.256 0.0089 0.44 0.259 0.0121 0.67 0.7811 0.9798 2068641 IFLab1_005844 Cc1ccc(cc1NC(=O)c2cccnc2)S(=O)(=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J15 compound treatment 0.307 0.0599 2.96 0.309 0.0621 3.41 4.5005 0.9975 2068642 IFLab1_005845 O=C(Nc1nccs1)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J16 compound treatment 0.249 0.0019 0.09 0.25 0.00313 0.17 0.1878 0.9599 2068643 IFLab1_005846 CN(C1CCS(=O)(=O)C1)C(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J17 compound treatment 0.255 0.0079 0.39 0.256 0.00913 0.5 0.6299 0.9924 1007321 IFLab1_005847 CCOC(=O)c1[nH]c(C)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J18 compound treatment 0.272 0.0249 1.23 0.284 0.0371 2.04 2.3091 0.9709 2068644 IFLab1_005848 Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J19 compound treatment 0.254 0.0069 0.34 0.256 0.00913 0.5 0.595 0.9825 1374001 IFLab1_005849 O=C(COc1ccccc1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J20 compound treatment 0.25 0.0029 0.14 0.248 0.00113 0.06 0.1451 0.9295 2068645 IFLab1_005850 COc1cc(C)c(cc1S(=O)(=O)N2CCCC2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J21 compound treatment 0.249 0.0019 0.09 0.248 0.00113 0.06 0.1102 0.9795 1361126 IFLab1_005851 Cc1ccc(cc1C(=O)O)S(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J22 compound treatment 0.248 9.03E-4 0.04 0.248 0.00113 0.06 0.0753 0.9871 2068646 IFLab1_005852 CCOc1ccc(Cl)cc1S(=O)(=O)N2CC(C)OC(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J23 mock treatment 0.245 -0.0021 -0.1 0.249 0.00213 0.12 0.0093 0.0598 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 J24 mock treatment 0.253 0.0059 0.29 0.249 0.00213 0.12 0.2887 0.9193 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K01 compound treatment 0.239 -0.0081 -0.4 0.243 -0.00387 -0.21 -0.4328 -0.9561 2068647 IFLab1_005853 Clc1cccc(c1)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K02 compound treatment 0.252 0.0049 0.24 0.252 0.00513 0.28 0.3701 0.9972 2068648 IFLab1_005854 OC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K03 compound treatment 0.249 0.0019 0.09 0.25 0.00313 0.17 0.1878 0.9599 2068649 IFLab1_005855 O=C1CCCC2=C1C(C3=C(CCCC3=O)O2)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K04 compound treatment 0.266 0.0189 0.93 0.263 0.0161 0.88 1.2854 0.9996 2068650 IFLab1_005856 CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K05 compound treatment 0.25 0.0029 0.14 0.251 0.00413 0.23 0.2615 0.9757 2068651 IFLab1_005857 Cc1cc(NCc2ccccn2)n3c4ccccc4nc3c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K06 compound treatment 0.26 0.0129 0.64 0.264 0.0171 0.94 1.1147 0.9821 2068652 IFLab1_005858 Cc1ccc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K07 compound treatment 0.248 9.03E-4 0.04 0.246 -8.71E-4 -0.05 -0.0022 -0.0341 2068653 IFLab1_005859 CCN(CC)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K08 compound treatment 0.261 0.0139 0.69 0.263 0.0161 0.88 1.1108 0.9922 2068654 IFLab1_005860 O=S1(=O)CCC(C1)n2nnnc2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K09 compound treatment 0.248 9.03E-4 0.04 0.255 0.00813 0.45 0.3467 0.774 1603138 IFLab1_005861 COc1ccc(cc1OC)S(=O)(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K10 compound treatment 0.254 0.0069 0.34 0.255 0.00813 0.45 0.5562 0.9912 2068655 IFLab1_005862 COC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K11 compound treatment 0.256 0.0089 0.44 0.251 0.00413 0.23 0.471 0.9524 2068656 IFLab1_005863 CC(C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K12 compound treatment 0.249 0.0019 0.09 0.252 0.00513 0.28 0.2653 0.8948 2068657 IFLab1_005864 CC1CN(CC(O)COc2cccc(C)c2)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K13 compound treatment 0.249 0.0019 0.09 0.247 1.29E-4 0.01 0.0715 0.7582 2068658 IFLab1_005865 Nc1cc(O)nc(SCC(=O)Nc2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K14 compound treatment 0.254 0.0069 0.34 0.253 0.00613 0.34 0.4787 1.0 2068659 IFLab1_005866 Cc1cccc(OCC(O)CN2C(C)(C)CCCC2(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K15 compound treatment 0.247 -9.68E-5 0.0 0.245 -0.00187 -0.1 -0.0759 -0.7392 2068660 IFLab1_005867 FC(F)(F)Sc1ccccc1NC(=O)CC2SC(=N)NC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K16 compound treatment 0.263 0.0159 0.79 0.271 0.0241 1.32 1.4908 0.969 2068661 IFLab1_005868 Fc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccon3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K17 compound treatment 0.255 0.0079 0.39 0.257 0.0101 0.56 0.6687 0.9851 2068662 IFLab1_005869 O=C(CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccco3)NC4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K18 compound treatment 0.256 0.0089 0.44 0.258 0.0111 0.61 0.7424 0.9871 2068663 IFLab1_005870 COCCn1c(C)cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K19 compound treatment 0.244 -0.0031 -0.15 0.242 -0.00487 -0.27 -0.297 -0.965 2068664 IFLab1_005871 Nc1nc2ccc(cc2s1)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K20 compound treatment 0.292 0.0449 2.22 0.296 0.0491 2.69 3.4727 0.9953 2068665 IFLab1_005872 COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)N3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K21 compound treatment 0.25 0.0029 0.14 0.251 0.00413 0.23 0.2615 0.9757 2068666 IFLab1_005873 COCCN1C(=O)/C(=C\2/C(=O)N(Cc3ccc(C)cc3)c4ccccc24)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K22 compound treatment 0.25 0.0029 0.14 0.26 0.0131 0.72 0.6104 0.8316 2068667 IFLab1_005874 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)Nc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K23 mock treatment 0.25 0.0029 0.14 0.252 0.00513 0.28 0.3002 0.9511 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 K24 mock treatment 0.252 0.0049 0.24 0.254 0.00713 0.39 0.4476 0.9735 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L01 compound treatment 0.245 -0.0021 -0.1 0.249 0.00213 0.12 0.0093 0.0598 1637501 IFLab1_005875 O=C(NC1CCCCC1NC(=O)c2cccs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L02 compound treatment 0.251 0.0039 0.19 0.252 0.00513 0.28 0.3351 0.983 2068668 IFLab1_005876 COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3ccc(Cl)c(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L03 compound treatment 0.253 0.0059 0.29 0.253 0.00613 0.34 0.4438 0.9975 1040671 IFLab1_005877 CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L04 compound treatment 0.257 0.0099 0.49 0.251 0.00413 0.23 0.5059 0.9387 2068669 IFLab1_005878 CC(OC(=O)c1cccs1)C(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L05 compound treatment 0.261 0.0139 0.69 0.265 0.0181 0.99 1.1883 0.9837 2068670 IFLab1_005879 Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L06 compound treatment 0.278 0.0309 1.53 0.273 0.0261 1.43 2.0921 0.9995 2068671 IFLab1_005880 Cc1cc(NCCCN2CCOCC2)n3c4ccccc4nc3c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L07 compound treatment 0.265 0.0179 0.88 0.269 0.0221 1.21 1.4831 0.9879 2068672 IFLab1_005881 O=C(Nc1ccc(Nc2ccccc2)cc1)/C=C/c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L08 compound treatment 0.258 0.0109 0.54 0.253 0.00613 0.34 0.6183 0.9743 2068673 IFLab1_005882 O=C(CSC1=C(C#N)C(CC(=O)N1)c2ccco2)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L09 compound treatment 0.306 0.0589 2.91 0.309 0.0621 3.41 4.4656 0.9969 2068674 IFLab1_005883 COc1ccc(/C=C/C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L10 compound treatment 0.253 0.0059 0.29 0.252 0.00513 0.28 0.405 0.9998 2068675 IFLab1_005884 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCSC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L11 compound treatment 0.273 0.0259 1.28 0.277 0.0301 1.65 2.0726 0.992 2068676 IFLab1_005885 CN(Cc1ccccc1)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L12 compound treatment 0.259 0.0119 0.59 0.262 0.0151 0.83 1.0022 0.9858 2068677 IFLab1_005886 COC(=O)c1cc2ccccc2c(=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L13 compound treatment 0.247 -9.68E-5 0.0 0.249 0.00213 0.12 0.0792 0.6776 1197766 IFLab1_005887 Cc1ccc(CNCC2CCCO2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L14 compound treatment 0.245 -0.0021 -0.1 0.246 -8.71E-4 -0.05 -0.107 -0.9383 1602731 IFLab1_005888 CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L15 compound treatment 0.291 0.0439 2.17 0.299 0.0521 2.86 3.5541 0.9907 1364252 IFLab1_005889 CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2CCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L16 compound treatment 0.259 0.0119 0.59 0.258 0.0111 0.61 0.8471 0.9998 2068678 IFLab1_005890 COc1cccc(c1)c2nc3ccccc3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L17 compound treatment 0.265 0.0179 0.88 0.266 0.0191 1.05 1.3668 0.9964 1319156 IFLab1_005891 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L18 compound treatment 0.259 0.0119 0.59 0.261 0.0141 0.77 0.9634 0.9907 2068679 IFLab1_005892 S=C(NCc1ccco1)SCc2cn3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L19 compound treatment 0.263 0.0159 0.79 0.264 0.0171 0.94 1.2194 0.996 1413491 IFLab1_005893 COc1ccc(cc1OC)C(O)c2nccn2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L20 compound treatment 0.257 0.0099 0.49 0.26 0.0131 0.72 0.8548 0.9823 2068680 IFLab1_005894 O=S(=O)(N1CCCC1)c2ccc(cc2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L21 compound treatment 0.254 0.0069 0.34 0.254 0.00713 0.39 0.5174 0.9977 2068681 IFLab1_005895 Fc1ccccc1N2CCN(CC2)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L22 compound treatment 0.25 0.0029 0.14 0.248 0.00113 0.06 0.1451 0.9295 2068682 IFLab1_005896 COc1ccc(cc1C)S(=O)(=O)NC2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L23 mock treatment 0.258 0.0109 0.54 0.256 0.00913 0.5 0.7347 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 L24 mock treatment 0.249 0.0019 0.09 0.252 0.00513 0.28 0.2653 0.8948 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M01 compound treatment 0.23 -0.0171 -0.84 0.242 -0.00487 -0.27 -0.7858 -0.8874 2068683 IFLab1_005897 CCn1c(SCC(=O)O)nnc1c2sc3cc(Cl)ccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M02 compound treatment 0.255 0.0079 0.39 0.252 0.00513 0.28 0.4748 0.9871 1875263 IFLab1_005898 Nc1sc2CCCc2c1C(=O)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M03 compound treatment 0.242 -0.0051 -0.25 0.245 -0.00187 -0.1 -0.2505 -0.9217 2068684 IFLab1_005899 CCCCC1C2=C(CCCC2=O)OC3=C1C(=O)CCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M04 compound treatment 0.256 0.0089 0.44 0.251 0.00413 0.23 0.471 0.9524 2068685 IFLab1_005900 Nc1nc(cs1)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M05 compound treatment 0.267 0.0199 0.98 0.261 0.0141 0.77 1.2428 0.9931 2068686 IFLab1_005901 Clc1ccc(cc1)c2csc3nc[nH]c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M06 compound treatment 0.264 0.0169 0.83 0.26 0.0131 0.72 1.0992 0.9973 2068687 IFLab1_005902 N#C/C(=C/C1=Cc2ccccc2OC1)/c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M07 compound treatment 0.269 0.0219 1.08 0.264 0.0171 0.94 1.4289 0.9975 2068688 IFLab1_005903 Clc1ccc(Cn2ncc3c(NC4CCCCC4)ncnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M08 compound treatment 0.268 0.0209 1.03 0.263 0.0161 0.88 1.3552 0.997 2068689 IFLab1_005904 CC1Oc2ccccc2C=C1/C=C(\NC(=O)c3ccccc3)/C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M09 compound treatment 0.246 -0.0011 -0.05 0.244 -0.00287 -0.16 -0.1496 -0.8987 2068690 IFLab1_005905 CCOc1ccc(OCC)c(c1)S(=O)(=O)N(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M10 compound treatment 0.25 0.0029 0.14 0.247 1.29E-4 0.01 0.1064 0.7411 2068691 IFLab1_005906 ClC(=CNC(=O)c1ccccc1)Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M11 compound treatment 0.271 0.0239 1.18 0.266 0.0191 1.05 1.5763 0.9983 2068692 IFLab1_005907 CNCC(O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M12 compound treatment 0.258 0.0109 0.54 0.255 0.00813 0.45 0.6959 0.9956 2068693 IFLab1_005908 CCOC(=O)C1CCN(CC(O)COc2cccc(C)c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M13 compound treatment 0.251 0.0039 0.19 0.252 0.00513 0.28 0.3351 0.983 2068694 IFLab1_005909 CN(C)C(=O)CSc1nc(O)c2c(C)cc(C)nc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M14 compound treatment 0.255 0.0079 0.39 0.256 0.00913 0.5 0.6299 0.9924 2068695 IFLab1_005910 CC1CCN(CC(O)COc2ccccc2Br)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M15 compound treatment 0.253 0.0059 0.29 0.248 0.00113 0.06 0.2499 0.8386 2068696 IFLab1_005911 Cc1oc2nc(SCC(=O)N3CCCCC3)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M16 compound treatment 0.254 0.0069 0.34 0.25 0.00313 0.17 0.3624 0.9495 2068697 IFLab1_005912 CCn1c(SC)nnc1c2nnc(SC)n2CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M17 compound treatment 0.531 0.284 14.02 0.511 0.264 14.48 20.1537 0.9999 2068698 IFLab1_005913 CSCCC(N1C(=O)/C(=C/c2c[nH]c3ccccc23)/SC1=S)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M18 compound treatment 0.254 0.0069 0.34 0.25 0.00313 0.17 0.3624 0.9495 2068699 IFLab1_005914 COc1cccc(NC(=O)CSc2nnc3ccccn23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M19 compound treatment 0.25 0.0029 0.14 0.249 0.00213 0.12 0.1839 0.9948 2068700 IFLab1_005915 O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N3CCCC3)/C=C/c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M20 compound treatment 0.253 0.0059 0.29 0.251 0.00413 0.23 0.3662 0.9922 1149422 IFLab1_005916 Cc1ccccc1Oc2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M21 compound treatment 0.249 0.0019 0.09 0.253 0.00613 0.34 0.3041 0.8714 2068701 IFLab1_005917 CCCN1C(=O)/C(=C/2\SC(=S)N(C)C2=O)/c3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M22 compound treatment 0.254 0.0069 0.34 0.248 0.00113 0.06 0.2848 0.8221 2068702 IFLab1_005918 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)NCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M23 mock treatment 0.252 0.0049 0.24 0.251 0.00413 0.23 0.3313 0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 M24 mock treatment 0.25 0.0029 0.14 0.253 0.00613 0.34 0.339 0.9279 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N01 compound treatment 0.24 -0.0071 -0.35 0.242 -0.00487 -0.27 -0.4367 -0.991 1464164 IFLab1_005919 Brc1ccc(o1)C(=O)NCC2CCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N02 compound treatment 0.245 -0.0021 -0.1 0.25 0.00313 0.17 0.0481 0.24 2068703 IFLab1_005920 C/C(=C/C(=O)O)/C(=O)Nc1sc2CCCCc2c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N03 compound treatment 0.253 0.0059 0.29 0.251 0.00413 0.23 0.3662 0.9922 2068704 IFLab1_005921 Cc1cc(C)nc(SCCS(=O)(=O)c2nc3ccccc3s2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N04 compound treatment 0.248 9.03E-4 0.04 0.245 -0.00187 -0.1 -0.041 -0.3665 2068705 IFLab1_005922 OCCN1CCN(CC1)C(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N05 compound treatment 0.247 -9.68E-5 0.0 0.254 0.00713 0.39 0.273 0.6984 1721418 IFLab1_005923 O=C(NCC1CCCO1)C2CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N06 compound treatment 0.25 0.0029 0.14 0.249 0.00213 0.12 0.1839 0.9948 1047107 IFLab1_005924 CC(=O)Nc1ccc(cc1)N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N07 compound treatment 0.245 -0.0021 -0.1 0.247 1.29E-4 0.01 -0.0682 -0.6573 1189856 IFLab1_005925 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N08 compound treatment 0.267 0.0199 0.98 0.268 0.0211 1.16 1.5142 0.9967 1873360 IFLab1_005926 COc1cccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccccc4F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N09 compound treatment 0.264 0.0169 0.83 0.264 0.0171 0.94 1.2543 0.9983 1181825 IFLab1_005927 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)C4CC4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N10 compound treatment 0.264 0.0169 0.83 0.254 0.00713 0.39 0.8666 0.9402 2068706 IFLab1_005928 CC(C)CC(=O)Nc1nc(cs1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N11 compound treatment 0.28 0.0329 1.62 0.285 0.0381 2.09 2.6272 0.9922 2068707 IFLab1_005929 Fc1ccc(/C=C/C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N12 compound treatment 0.252 0.0049 0.24 0.248 0.00113 0.06 0.215 0.8602 2068708 IFLab1_005930 CC(C)OC(=O)c1cc2ccccc2c(=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N13 compound treatment 0.248 9.03E-4 0.04 0.256 0.00913 0.5 0.3855 0.7671 2068709 IFLab1_005931 O=C(COc1ccccc1)N2CCNC(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N14 compound treatment 0.248 9.03E-4 0.04 0.245 -0.00187 -0.1 -0.041 -0.3665 2068710 IFLab1_005932 CC(=O)Nc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N15 compound treatment 0.247 -9.68E-5 0.0 0.244 -0.00287 -0.16 -0.1147 -0.7282 1263468 IFLab1_005933 O=C(NC1CCSC1=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N16 compound treatment 0.252 0.0049 0.24 0.252 0.00513 0.28 0.3701 0.9972 1189678 IFLab1_005934 COc1ccc(cc1OC)c2nc3ccccc3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N17 compound treatment 0.257 0.0099 0.49 0.255 0.00813 0.45 0.661 0.9989 2068711 IFLab1_005935 O=C(/C=C/c1ccccc1)N2CCN(CC2)C(=O)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N18 compound treatment 0.244 -0.0031 -0.15 0.244 -0.00287 -0.16 -0.2194 -0.9999 2068712 IFLab1_005936 CN1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N19 compound treatment 0.251 0.0039 0.19 0.253 0.00613 0.34 0.3739 0.9652 1528199 IFLab1_005937 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N20 compound treatment 0.246 -0.0011 -0.05 0.246 -8.71E-4 -0.05 -0.0721 -0.998 2068713 IFLab1_005938 COc1cc(C)c(cc1S(=O)(=O)NCCCn2ccnc2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N21 compound treatment 0.268 0.0209 1.03 0.299 0.0521 2.86 2.751 0.9052 2068714 IFLab1_005939 O=C(Nc1ccc(cc1)c2cn3ccsc3n2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N22 compound treatment 0.249 0.0019 0.09 0.248 0.00113 0.06 0.1102 0.9795 2068715 IFLab1_005940 COc1ccc(c2ccccc12)S(=O)(=O)NC3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N23 mock treatment 0.247 -9.68E-5 0.0 0.249 0.00213 0.12 0.0792 0.6776 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 N24 mock treatment 0.255 0.0079 0.39 0.257 0.0101 0.56 0.6687 0.9851 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O01 compound treatment 0.22 -0.0271 -1.34 0.211 -0.0359 -1.97 -2.3369 -0.9824 2068716 IFLab1_005941 CCn1c(SCC(=O)N)nnc1c2sc3cc(Cl)ccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O02 compound treatment 0.284 0.0369 1.82 0.296 0.0491 2.69 3.1933 0.9819 1875264 IFLab1_005942 Nc1c(oc2ccccc12)C(=O)Nc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O03 compound treatment 0.242 -0.0051 -0.25 0.243 -0.00387 -0.21 -0.328 -0.9964 2068717 IFLab1_005943 O=C1CCCC2=C1C(C3=C(CCCC3=O)O2)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O04 compound treatment 0.255 0.0079 0.39 0.246 -8.71E-4 -0.05 0.2422 0.616 2068718 IFLab1_005944 Clc1ccccc1NC(=O)CN2C(=O)/C(=C/3\SC(=S)N(CC=C)C3=O)/c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O05 compound treatment 0.244 -0.0031 -0.15 0.24 -0.00687 -0.38 -0.3745 -0.9211 1867276 IFLab1_005945 CCC(C)(C)C1CCc2sc3nc[nH]c(=O)c3c2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O06 compound treatment 0.253 0.0059 0.29 0.252 0.00513 0.28 0.405 0.9998 2068719 IFLab1_005946 OC1=C(C(N(Cc2ccco2)C1=O)c3ccccc3)C(=O)c4ccc(OCC=C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O07 compound treatment 0.285 0.0379 1.87 0.274 0.0271 1.49 2.3753 0.9935 2068720 IFLab1_005947 Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O08 compound treatment 0.259 0.0119 0.59 0.259 0.0121 0.67 0.8859 0.9981 2068721 IFLab1_005948 Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O09 compound treatment 0.242 -0.0051 -0.25 0.233 -0.0139 -0.76 -0.7158 -0.8935 2068722 IFLab1_005949 COc1ccc(cc1C)S(=O)(=O)N(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O10 compound treatment 0.244 -0.0031 -0.15 0.248 0.00113 0.06 -0.0644 -0.3901 1629304 IFLab1_005950 Cn1cnnc1SC2CCCCC2NS(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O11 compound treatment 0.288 0.0409 2.02 0.281 0.0341 1.87 2.7515 0.9993 1139707 IFLab1_005951 CS(=O)(=O)N1CCN(CC(O)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O12 compound treatment 0.248 9.03E-4 0.04 0.248 0.00113 0.06 0.0753 0.9871 2068723 IFLab1_005952 CCOC(=O)C1CCCN(CC(O)COc2cccc(C)c2)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O13 compound treatment 0.239 -0.0081 -0.4 0.247 1.29E-4 0.01 -0.2777 -0.6945 2068724 IFLab1_005953 COC(=O)CSc1nc(nc2CCCCc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O14 compound treatment 0.252 0.0049 0.24 0.248 0.00113 0.06 0.215 0.8602 2068725 IFLab1_005954 CCOC(=O)C1CCCN(CC(O)COc2ccccc2Br)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O15 compound treatment 0.245 -0.0021 -0.1 0.245 -0.00187 -0.1 -0.1458 -1.0 1510267 IFLab1_005955 COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O16 compound treatment 0.247 -9.68E-5 0.0 0.248 0.00113 0.06 0.0404 0.6506 2068726 IFLab1_005956 C(CNc1ncnc2scc(c3ccccc3)c12)CN4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O17 compound treatment 0.333 0.0859 4.24 0.347 0.1 5.49 6.8816 0.9919 2068727 IFLab1_005957 CCOc1ccccc1N2C(=O)/C(=C/c3c[nH]c4ccccc34)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O18 compound treatment 0.26 0.0129 0.64 0.26 0.0131 0.72 0.9596 0.9981 1202252 IFLab1_005958 Cc1cc2nnc(SCC(=O)N3CCCC3)n2c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O19 compound treatment 0.248 9.03E-4 0.04 0.245 -0.00187 -0.1 -0.041 -0.3665 2068728 IFLab1_005959 CC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O20 compound treatment 0.242 -0.0051 -0.25 0.244 -0.00287 -0.16 -0.2893 -0.9745 2068729 IFLab1_005960 COc1ccccc1Oc2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O21 compound treatment 0.243 -0.0041 -0.2 0.242 -0.00487 -0.27 -0.3319 -0.9906 1875129 IFLab1_005961 O=S(=O)(N1CCCCC1)c2ccc(cc2)c3csc(n3)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O22 compound treatment 0.249 0.0019 0.09 0.251 0.00413 0.23 0.2265 0.9242 2068730 IFLab1_005962 Cc1nnc(SCC(=O)Nc2nsc(n2)c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O23 mock treatment 0.25 0.0029 0.14 0.249 0.00213 0.12 0.1839 0.9948 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 O24 mock treatment 0.247 -9.68E-5 0.0 0.245 -0.00187 -0.1 -0.0759 -0.7392 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P01 compound treatment 0.192 -0.0551 -2.72 0.2 -0.0469 -2.57 -3.7411 -0.9996 1226990 IFLab1_005963 COC(=O)CCC(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P02 compound treatment 0.234 -0.0131 -0.65 0.232 -0.0149 -0.82 -1.0339 -0.9934 2068731 IFLab1_005964 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3cc(OC)c(C)cc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P03 compound treatment 0.234 -0.0131 -0.65 0.239 -0.00787 -0.43 -0.7625 -0.9807 1088422 IFLab1_005965 O=S(=O)(c1ccccc1)n2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P04 compound treatment 0.236 -0.0111 -0.55 0.223 -0.0239 -1.31 -1.313 -0.9253 2068732 IFLab1_005966 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)OCC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P05 compound treatment 0.232 -0.0151 -0.75 0.245 -0.00187 -0.1 -0.5997 -0.7969 1678677 IFLab1_005967 COc1ccc(cc1)C2C(CC(=O)N2Cc3ccccc3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P06 compound treatment 0.242 -0.0051 -0.25 0.242 -0.00487 -0.27 -0.3668 -0.9996 2068733 IFLab1_005968 [O-]/[N+](=C\c1c[nH]c2ccccc12)/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P07 compound treatment 0.243 -0.0041 -0.2 0.243 -0.00387 -0.21 -0.2931 -0.9997 2068734 IFLab1_005969 Cc1cc(C)nc(SCCS(=O)c2ccc(cc2)C(C)(C)C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P08 compound treatment 0.268 0.0209 1.03 0.252 0.00513 0.28 0.9288 0.8681 1873372 IFLab1_005970 O=C(CSC1=C(C#N)C(CC(=O)N1)c2ccco2)N(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P09 compound treatment 0.231 -0.0161 -0.79 0.221 -0.0259 -1.42 -1.5651 -0.9625 2068735 IFLab1_005971 Cc1ccc(/C=C/C(=O)N2CCN(CC2)C(=O)\C=C\c3ccc(C)o3)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P10 compound treatment 0.241 -0.0061 -0.3 0.245 -0.00187 -0.1 -0.2854 -0.8974 2068736 IFLab1_005972 CCCC(=O)Nc1nc(cs1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P11 compound treatment 0.229 -0.0181 -0.89 0.239 -0.00787 -0.43 -0.9371 -0.9442 1860862 IFLab1_005973 COc1ccc(cc1Br)C(=O)n2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P12 compound treatment 0.248 9.03E-4 0.04 0.255 0.00813 0.45 0.3467 0.774 2068737 IFLab1_005974 COc1ccc2cc(sc(=O)c2c1OC)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P13 compound treatment 0.244 -0.0031 -0.15 0.248 0.00113 0.06 -0.0644 -0.3901 1146748 IFLab1_005975 COc1ccc(CC(=O)NCC2CCCO2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P14 compound treatment 0.233 -0.0141 -0.7 0.248 0.00113 0.06 -0.4485 -0.6417 2068738 IFLab1_005976 CC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P15 compound treatment 0.233 -0.0141 -0.7 0.242 -0.00487 -0.27 -0.6811 -0.9135 2068739 IFLab1_005977 O=C(CCc1ccccc1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P16 compound treatment 0.24 -0.0071 -0.35 0.245 -0.00187 -0.1 -0.3203 -0.8773 1689389 IFLab1_005978 O=C(Oc1ccc2oc3CCCCc3c2c1)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P17 compound treatment 0.242 -0.0051 -0.25 0.245 -0.00187 -0.1 -0.2505 -0.9217 2068740 IFLab1_005979 Cc1nn(C(=S)N)c(O)c1C(C(C#N)C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P18 compound treatment 0.237 -0.0101 -0.5 0.234 -0.0129 -0.71 -0.8516 -0.9855 2068741 IFLab1_005980 CCOC(=O)N1CCN(CC1)C(c2c(C)[nH]c3ccccc23)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P19 compound treatment 0.255 0.0079 0.39 0.254 0.00713 0.39 0.5524 1.0 2068742 IFLab1_005981 NC1=C(C#N)C(c2c(n[nH]c2O1)C(F)(F)F)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P20 compound treatment 0.241 -0.0061 -0.3 0.244 -0.00287 -0.16 -0.3242 -0.9543 1154230 IFLab1_005982 COc1cc(ccc1F)S(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P21 compound treatment 0.245 -0.0021 -0.1 0.242 -0.00487 -0.27 -0.2621 -0.9149 1569833 IFLab1_005983 O=c1oc2ccccc2cc1c3nnc([nH]3)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P22 compound treatment 0.24 -0.0071 -0.35 0.241 -0.00587 -0.32 -0.4754 -0.9991 2068743 IFLab1_005984 COc1cc(c(C)cc1C)S(=O)(=O)NC2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P23 mock treatment 0.227 -0.0201 -0.99 0.241 -0.00587 -0.32 -0.9294 -0.8908 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1428 P24 mock treatment 0.22 -0.0271 -1.34 0.217 -0.0299 -1.64 -2.1043 -0.995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A01 compound treatment 0.191 -0.0525 -2.59 0.187 -0.0573 -3.14 -4.0526 -0.9955 2068744 IFLab1_005985 COc1cc(C)c(C)cc1S(=O)(=O)NC2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A02 compound treatment 0.21 -0.0335 -1.65 0.2 -0.0443 -2.43 -2.8851 -0.9825 1916829 IFLab1_005986 Cn1c(nc2ccccc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A03 compound treatment 0.236 -0.00748 -0.37 0.239 -0.00526 -0.29 -0.4652 -0.9925 2068745 IFLab1_005987 CN(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A04 compound treatment 0.225 -0.0185 -0.91 0.238 -0.00626 -0.34 -0.888 -0.9107 2068746 IFLab1_005988 Cn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A05 compound treatment 0.236 -0.00748 -0.37 0.233 -0.0113 -0.62 -0.6978 -0.9699 2068747 IFLab1_005989 Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A06 compound treatment 0.228 -0.0155 -0.76 0.23 -0.0143 -0.78 -1.0935 -0.9999 2068748 IFLab1_005990 Cc1cc(C)c(cc1C)S(=O)(=O)N2CCSC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A07 compound treatment 0.243 -4.84E-4 -0.02 0.245 7.42E-4 0.04 0.0119 0.2516 2068749 IFLab1_005991 CCC(=O)Nc1ccc(cc1)c2cn3cccc(C)c3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A08 compound treatment 0.235 -0.00848 -0.42 0.232 -0.0123 -0.67 -0.7715 -0.9741 1364444 IFLab1_005992 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A09 compound treatment 0.227 -0.0165 -0.81 0.237 -0.00726 -0.4 -0.857 -0.9458 2068750 IFLab1_005993 NC(=O)CSc1nnc(c2cccs2)n1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A10 compound treatment 0.238 -0.00548 -0.27 0.238 -0.00626 -0.34 -0.4341 -0.9931 2068751 IFLab1_005994 O=S(=O)(NC1CCCCC1n2cc(nn2)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A11 compound treatment 0.247 0.00352 0.17 0.239 -0.00526 -0.29 -0.0811 -0.2409 2068752 IFLab1_005995 CN(C)C(=O)c1cn(nc1c2cc3ccccc3o2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A12 compound treatment 0.245 0.00152 0.07 0.245 7.42E-4 0.04 0.0817 0.9589 2068753 IFLab1_005996 O=C(NCCC1=CCCCC1)/C=C/c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A13 compound treatment 0.242 -0.00148 -0.07 0.222 -0.0223 -1.22 -0.9148 -0.7482 2068754 IFLab1_005997 c1ccc(cc1)n2nnnc2c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A14 compound treatment 0.234 -0.00948 -0.47 0.234 -0.0103 -0.56 -0.7289 -0.9959 1104608 IFLab1_005998 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccccc2)N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A15 compound treatment 0.228 -0.0155 -0.76 0.232 -0.0123 -0.67 -1.0159 -0.9979 2068755 IFLab1_005999 CCOc1ccc(cc1)n2nnnc2c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A16 compound treatment 0.229 -0.0145 -0.72 0.226 -0.0183 -1.0 -1.2136 -0.9864 2068756 IFLab1_006000 CN(C)CCN1C(C(=C(O)C1=O)C(=O)c2cccs2)c3cccc(OCC=C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A17 compound treatment 0.252 0.00852 0.42 0.249 0.00474 0.26 0.4812 0.9733 2068757 IFLab1_006001 Cc1ccc2[nH]c(SCc3ccccc3)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A18 compound treatment 0.317 0.0735 3.63 0.294 0.0497 2.73 4.4955 0.9901 2068758 IFLab1_006002 CCN(CC)CC1=C/C(=N/O)/c2cccnc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A19 compound treatment 0.251 0.00752 0.37 0.246 0.00174 0.1 0.33 0.861 2068759 IFLab1_006003 Cc1cccc(OCCn2cnc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A20 compound treatment 0.235 -0.00848 -0.42 0.237 -0.00726 -0.4 -0.5776 -0.9997 2068760 IFLab1_006004 CN(C)C(CC(=O)Nc1cc(C)cc(C)c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A21 compound treatment 0.238 -0.00548 -0.27 0.232 -0.0123 -0.67 -0.6667 -0.9201 2068761 IFLab1_006005 CC(C)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A22 compound treatment 0.233 -0.0105 -0.52 0.21 -0.0343 -1.88 -1.6943 -0.8696 2068762 IFLab1_006006 COc1cc(/C=N/S(=O)(=O)c2ccccc2)cc(OC)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A23 mock treatment 0.236 -0.00748 -0.37 0.213 -0.0313 -1.71 -1.4732 -0.8403 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 A24 mock treatment 0.192 -0.0515 -2.54 0.225 -0.0193 -1.06 -2.5444 -0.9242 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B01 compound treatment 0.25 0.00652 0.32 0.212 -0.0323 -1.77 -1.0231 -0.5691 2068763 IFLab1_006007 Cc1sc2nc(Nc3ccc(cc3)S(=O)(=O)N)sc(=O)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B02 compound treatment 0.243 -4.84E-4 -0.02 0.245 7.42E-4 0.04 0.0119 0.2516 1541550 IFLab1_006008 CCCCc1ccc(NS(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B03 compound treatment 0.253 0.00952 0.47 0.255 0.0107 0.59 0.7488 0.9937 2068764 IFLab1_006009 N(/C=N\c1nccs1)c2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B04 compound treatment 0.248 0.00452 0.22 0.251 0.00674 0.37 0.4191 0.9707 2068765 IFLab1_006010 CCOc1cc(/C=C\2/SC(=S)N(C2=O)c3ccc4OCOc4c3)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B05 compound treatment 0.255 0.0115 0.57 0.254 0.00974 0.53 0.7798 0.9995 2068766 IFLab1_006011 Cc1sc2nc(SCCC(=O)NC3CCCCC3)[nH]c(=O)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B06 compound treatment 0.259 0.0155 0.77 0.26 0.0157 0.86 1.1521 0.9982 2068767 IFLab1_006012 COc1ccccc1/C=C/2\SC(=S)N(C2=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B07 compound treatment 0.307 0.0635 3.14 0.282 0.0377 2.07 3.6811 0.9796 2068768 IFLab1_006013 Cc1ccc(cc1)c2cnnn2c3ccc(cc3)C(=O)COC(=O)c4ccccc4F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B08 compound treatment 0.257 0.0135 0.67 0.259 0.0147 0.81 1.0435 0.9955 2068769 IFLab1_006014 COc1ccc(Cn2c(=O)oc3ccc(C)cc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B09 compound treatment 0.255 0.0115 0.57 0.254 0.00974 0.53 0.7798 0.9995 1630178 IFLab1_006015 COC(=O)Cc1c(c2ccccc2)c3cc(C)ccc3[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B10 compound treatment 0.252 0.00852 0.42 0.252 0.00774 0.42 0.5975 1.0 2068770 IFLab1_006016 Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B11 compound treatment 0.279 0.0355 1.75 0.283 0.0387 2.12 2.7422 0.9955 1633075 IFLab1_006017 Cc1ccc2[nH]c(=O)c(CNS(=O)(=O)c3ccccc3)c(c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B12 compound treatment 0.259 0.0155 0.77 0.255 0.0107 0.59 0.9583 0.9916 2068771 IFLab1_006018 CC1C/C(=C\c2cccnc2)/C(=O)\C(=C\c3cccnc3)\C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B13 compound treatment 0.251 0.00752 0.37 0.251 0.00674 0.37 0.5238 1.0 2068772 IFLab1_006019 COCCn1cnc2cc(C)c(C)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B14 compound treatment 0.247 0.00352 0.17 0.247 0.00274 0.15 0.2291 0.9974 1865121 IFLab1_006020 COc1ccc(OCC(O)CNC(C)C)c(c1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B15 compound treatment 0.255 0.0115 0.57 0.256 0.0117 0.64 0.8574 0.9981 2068773 IFLab1_006021 CC(=O)NCCCc1nc2ccccc2n1Cc3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B16 compound treatment 0.261 0.0175 0.86 0.26 0.0157 0.86 1.2219 1.0 2068774 IFLab1_006022 COc1ccc(CCNC(=O)c2csc3CCCCc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B17 compound treatment 0.267 0.0235 1.16 0.266 0.0217 1.19 1.6641 0.9999 2068775 IFLab1_006023 CN(C)CCNc1nc2ccccc2n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B18 compound treatment 0.278 0.0345 1.7 0.266 0.0217 1.19 2.0482 0.9847 2068776 IFLab1_006024 FC(F)(F)c1ccc(NC(=O)/C=C/c2ccco2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B19 compound treatment 0.255 0.0115 0.57 0.253 0.00874 0.48 0.741 0.9964 2068777 IFLab1_006025 Cc1cccc(OCC(O)CN2CCCCCC2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B20 compound treatment 0.278 0.0345 1.7 0.275 0.0307 1.69 2.3971 1.0 2068778 IFLab1_006026 OCCN1CCN(CC1)c2nc(c3ccccc3)c4cc(Br)ccc4n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B21 compound treatment 0.252 0.00852 0.42 0.254 0.00974 0.53 0.6751 0.993 1479148 IFLab1_006027 C(N1CCOCC1)c2cn3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B22 compound treatment 0.248 0.00452 0.22 0.25 0.00574 0.31 0.3803 0.9857 2068779 IFLab1_006028 Oc1c(Br)cc(/C=[N+](\[O-])/c2ccccc2)cc1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B23 mock treatment 0.248 0.00452 0.22 0.249 0.00474 0.26 0.3415 0.9971 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 B24 mock treatment 0.224 -0.0195 -0.96 0.241 -0.00326 -0.18 -0.8067 -0.8243 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C01 compound treatment 0.231 -0.0125 -0.62 0.218 -0.0263 -1.44 -1.4539 -0.9284 2068780 IFLab1_006029 COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C02 compound treatment 0.237 -0.00648 -0.32 0.238 -0.00626 -0.34 -0.469 -0.9994 2068781 IFLab1_006030 c1csc(c1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C03 compound treatment 0.24 -0.00348 -0.17 0.236 -0.00826 -0.45 -0.4418 -0.9122 2068782 IFLab1_006031 CN(CC(O)Cn1c2ccccc2c3ccccc13)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C04 compound treatment 0.241 -0.00248 -0.12 0.239 -0.00526 -0.29 -0.2906 -0.9275 2068783 IFLab1_006032 CC(C)n1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C05 compound treatment 0.239 -0.00448 -0.22 0.239 -0.00526 -0.29 -0.3604 -0.9915 2068784 IFLab1_006033 CN(C)S(=O)(=O)Nc1ccc(N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C06 compound treatment 0.242 -0.00148 -0.07 0.244 -2.58E-4 -0.01 -0.0618 -0.8283 2068785 IFLab1_006034 CC1SCCN1S(=O)(=O)c2c(C)cc(C)cc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C07 compound treatment 0.251 0.00752 0.37 0.25 0.00574 0.31 0.4851 0.9966 2068786 IFLab1_006035 CC(C)CC(=O)Nc1ccc(cc1)c2cn3cccc(C)c3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C08 compound treatment 0.242 -0.00148 -0.07 0.247 0.00274 0.15 0.0545 0.3258 2068787 IFLab1_006036 Cc1ccc(s1)S(=O)(=O)NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C09 compound treatment 0.243 -4.84E-4 -0.02 0.242 -0.00226 -0.12 -0.1044 -0.8283 2068788 IFLab1_006037 COC(=O)CSc1nnc(c2cccs2)n1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C10 compound treatment 0.238 -0.00548 -0.27 0.24 -0.00426 -0.23 -0.3566 -0.9973 1572783 IFLab1_006038 CC1(C)C(CCC1(C)C(=O)O)C(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C11 compound treatment 0.243 -4.84E-4 -0.02 0.242 -0.00226 -0.12 -0.1044 -0.8283 2068789 IFLab1_006039 COC(=O)CNC(=O)c1cn(nc1c2ccc(F)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C12 compound treatment 0.293 0.0495 2.45 0.287 0.0427 2.34 3.3861 0.9998 2068790 IFLab1_006040 Cc1sc(NC(=O)/C=C/c2ccco2)c(C(=O)N)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C13 compound treatment 0.247 0.00352 0.17 0.246 0.00174 0.1 0.1903 0.9604 2068791 IFLab1_006041 c1ccc(cc1)n2nnnc2c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C14 compound treatment 0.239 -0.00448 -0.22 0.241 -0.00326 -0.18 -0.2829 -0.9943 2068792 IFLab1_006042 NC1=C(C#N)C(C2=C(CCCC2=O)O1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C15 compound treatment 0.237 -0.00648 -0.32 0.24 -0.00426 -0.23 -0.3915 -0.988 2068793 IFLab1_006043 c1ccc(cc1)n2nnnc2c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C16 compound treatment 0.241 -0.00248 -0.12 0.243 -0.00126 -0.07 -0.1355 -0.9629 2068794 IFLab1_006044 COc1cccc(c1)C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c3ccc(cc3)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C17 compound treatment 0.255 0.0115 0.57 0.253 0.00874 0.48 0.741 0.9964 2068795 IFLab1_006045 CC(O)c1nc2ccccc2n1C/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C18 compound treatment 0.348 0.105 5.16 0.306 0.0617 3.39 6.0432 0.9791 2068796 IFLab1_006046 O/N=C\1/C=C(CN2CCOCC2)C(=O)c3ncccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C19 compound treatment 0.24 -0.00348 -0.17 0.24 -0.00426 -0.23 -0.2867 -0.9887 2068797 IFLab1_006047 COCCn1c(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C20 compound treatment 0.24 -0.00348 -0.17 0.239 -0.00526 -0.29 -0.3255 -0.9696 2068798 IFLab1_006048 CCN(CC)CC(O)Cn1c2CCCCc2c3cc(C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C21 compound treatment 0.241 -0.00248 -0.12 0.241 -0.00326 -0.18 -0.213 -0.9832 2068799 IFLab1_006049 CC(C)N1C(=O)/C(=C/c2ccc(Br)cc2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C22 compound treatment 0.237 -0.00648 -0.32 0.239 -0.00526 -0.29 -0.4303 -0.9986 2068800 IFLab1_006050 COc1ccc(OC)c(NC(=O)CC2Sc3ccccc3NC2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C23 mock treatment 0.237 -0.00648 -0.32 0.234 -0.0103 -0.56 -0.6241 -0.9643 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 C24 mock treatment 0.234 -0.00948 -0.47 0.24 -0.00426 -0.23 -0.4962 -0.9483 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D01 compound treatment 0.252 0.00852 0.42 0.247 0.00274 0.15 0.4037 0.9039 2068801 IFLab1_006051 Cc1cccc(c1)c2nc3scc(c4ccccc4)n3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D02 compound treatment 0.25 0.00652 0.32 0.248 0.00374 0.21 0.3726 0.9764 2068802 IFLab1_006052 Clc1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D03 compound treatment 0.253 0.00952 0.47 0.252 0.00774 0.42 0.6324 0.9987 2068803 IFLab1_006053 CN1C(=O)/C(=C\c2ccc(o2)c3ccccc3)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D04 compound treatment 0.295 0.0515 2.54 0.296 0.0517 2.84 3.8049 0.9985 2068804 IFLab1_006054 COc1cc(/C=C\2/SC(=S)N(C2=O)c3ccc4ccccc4c3)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D05 compound treatment 0.25 0.00652 0.32 0.251 0.00674 0.37 0.4889 0.9976 1013635 IFLab1_006055 OC(=O)C1Cc2ccccc2CN1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D06 compound treatment 0.276 0.0325 1.61 0.293 0.0487 2.67 3.0251 0.9703 2068805 IFLab1_006056 COc1ccccc1/C=C/2\SC(=O)N(C2=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D07 compound treatment 0.266 0.0225 1.11 0.268 0.0237 1.3 1.7067 0.9969 2068806 IFLab1_006057 CCN1C(=O)/C(=C\c2ccc(NC(=O)C(F)(F)F)cc2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D08 compound treatment 0.258 0.0145 0.72 0.257 0.0127 0.7 1.0009 0.9999 1870189 IFLab1_006058 CC(C)C(NC(=O)c1cc2ccccc2cc1O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D09 compound treatment 0.25 0.00652 0.32 0.247 0.00274 0.15 0.3338 0.9399 1231001 IFLab1_006059 CCOC(=O)Cc1c(c2ccccc2)c3cc(C)ccc3[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D10 compound treatment 0.244 5.16E-4 0.03 0.249 0.00474 0.26 0.2019 0.7727 2068807 IFLab1_006060 Cc1ccccc1OCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D11 compound treatment 0.249 0.00552 0.27 0.25 0.00574 0.31 0.4152 0.9974 2068808 IFLab1_006061 Cc1ccc(cc1)N2C(=O)CC(Sc3ccccc3C(=O)N4CCOCC4)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D12 compound treatment 0.236 -0.00748 -0.37 0.234 -0.0103 -0.56 -0.659 -0.9792 2068809 IFLab1_006062 Cc1ccnc2ccc(SC(F)(F)F)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D13 compound treatment 0.249 0.00552 0.27 0.253 0.00874 0.48 0.5315 0.9641 1033861 IFLab1_006063 COCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D14 compound treatment 0.248 0.00452 0.22 0.251 0.00674 0.37 0.4191 0.9707 2068810 IFLab1_006064 Cc1ccc(OCC(O)CN)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D15 compound treatment 0.248 0.00452 0.22 0.25 0.00574 0.31 0.3803 0.9857 2068811 IFLab1_006065 CC(=O)NCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D16 compound treatment 0.273 0.0295 1.46 0.254 0.00974 0.53 1.4083 0.9072 2068812 IFLab1_006066 COc1ccc(cc1)C2C3C(SC(=C2C#N)N)C(=O)N(C3=O)c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D17 compound treatment 0.27 0.0265 1.31 0.267 0.0227 1.25 1.8076 0.9997 2068813 IFLab1_006067 CCN(CC)CCCNc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D18 compound treatment 0.259 0.0155 0.77 0.259 0.0147 0.81 1.1133 0.9996 2068814 IFLab1_006068 O=C(NCCc1ccccc1)/C=C/c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D19 compound treatment 0.252 0.00852 0.42 0.258 0.0137 0.75 0.8301 0.9621 2068815 IFLab1_006069 Cc1cccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D20 compound treatment 0.244 5.16E-4 0.03 0.245 7.42E-4 0.04 0.0468 0.9746 2068816 IFLab1_006070 COc1cc(N)n(n1)S(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D21 compound treatment 0.253 0.00952 0.47 0.252 0.00774 0.42 0.6324 0.9987 2068817 IFLab1_006071 COC(=O)c1cccnc1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D22 compound treatment 0.25 0.00652 0.32 0.249 0.00474 0.26 0.4114 0.9944 2068818 IFLab1_006072 COc1cc(/C=[N+](\[O-])/c2ccccc2)cc(OC)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D23 mock treatment 0.249 0.00552 0.27 0.248 0.00374 0.21 0.3377 0.9902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 D24 mock treatment 0.245 0.00152 0.07 0.242 -0.00226 -0.12 -0.0346 -0.2392 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E01 compound treatment 0.247 0.00352 0.17 0.245 7.42E-4 0.04 0.1515 0.8498 2068819 IFLab1_006073 COc1ccc(cc1C)S(=O)(=O)n2ccc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E02 compound treatment 0.253 0.00952 0.47 0.255 0.0107 0.59 0.7488 0.9937 2068820 IFLab1_006074 CCCn1c(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E03 compound treatment 0.251 0.00752 0.37 0.251 0.00674 0.37 0.5238 1.0 2068821 IFLab1_006075 CS(=O)(=O)NCC(O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E04 compound treatment 0.249 0.00552 0.27 0.248 0.00374 0.21 0.3377 0.9902 1531370 IFLab1_006076 CC(C)CCOc1ccc(CN)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E05 compound treatment 0.25 0.00652 0.32 0.253 0.00874 0.48 0.5665 0.9812 1012680 IFLab1_006077 O=S(=O)(N1CCCCC1)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E06 compound treatment 0.272 0.0285 1.41 0.273 0.0287 1.58 2.1101 0.9984 2068822 IFLab1_006078 Cc1ccn2cc(nc2c1)c3cccc(NS(=O)(=O)C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E07 compound treatment 0.281 0.0375 1.85 0.283 0.0387 2.12 2.812 0.9977 1112848 IFLab1_006079 Oc1nc2ccccc2nc1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E08 compound treatment 0.253 0.00952 0.47 0.257 0.0127 0.7 0.8263 0.9814 1141016 IFLab1_006080 O=S(=O)(NCCc1ccccn1)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E09 compound treatment 0.252 0.00852 0.42 0.256 0.0117 0.64 0.7526 0.9787 2068823 IFLab1_006081 COc1ccc(cc1OC)c2nnc(SCC(=O)c3ccccc3)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E10 compound treatment 0.265 0.0215 1.06 0.263 0.0187 1.03 1.4779 0.9999 2068824 IFLab1_006082 COC(=O)C1=C(N)OC2=C(C1c3ccccc3)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E11 compound treatment 0.251 0.00752 0.37 0.249 0.00474 0.26 0.4463 0.9848 2068825 IFLab1_006083 OC(=O)CNC(=O)c1cn(nc1c2ccc(Cl)s2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E12 compound treatment 0.321 0.0775 3.83 0.306 0.0617 3.39 5.1005 0.9981 2068826 IFLab1_006084 COc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E13 compound treatment 0.255 0.0115 0.57 0.252 0.00774 0.42 0.7023 0.9896 2068827 IFLab1_006085 Cc1ccc(cc1)n2nnnc2c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E14 compound treatment 0.243 -4.84E-4 -0.02 0.244 -2.58E-4 -0.01 -0.0269 -0.9687 1259598 IFLab1_006086 CCCC1=C(C(C(=C(N)O1)C#N)c2ccccc2)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E15 compound treatment 0.287 0.0435 2.15 0.321 0.0767 4.21 4.4948 0.9513 2068828 IFLab1_006087 Clc1cc(Cn2cnc3ccccc23)c4OCOCc4c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E16 compound treatment 0.264 0.0205 1.01 0.259 0.0147 0.81 1.2879 0.9937 2068829 IFLab1_006088 COc1cccc(c1)C(=O)C2=C(O)C(=O)N(C2c3ccccc3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E17 compound treatment 0.261 0.0175 0.86 0.262 0.0177 0.97 1.2995 0.9983 2068830 IFLab1_006089 Cn1c(CC(C)(C)C)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E18 compound treatment 0.391 0.148 7.28 0.33 0.0857 4.7 8.4752 0.9776 2068831 IFLab1_006090 COC(=O)c1ccccc1c2ccc(/C=C/3\SC(=O)NC3=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E19 compound treatment 0.246 0.00252 0.12 0.252 0.00774 0.42 0.388 0.8773 2068832 IFLab1_006091 COCc1nc2ccccc2n1Cc3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E20 compound treatment 0.263 0.0195 0.96 0.261 0.0167 0.92 1.3306 0.9997 2068833 IFLab1_006092 CCC(CO)NCC(O)Cn1c2CCCCc2c3cc(C)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E21 compound treatment 0.296 0.0525 2.59 0.255 0.0107 0.59 2.2502 0.8462 2068834 IFLab1_006093 COc1cc(/C=C/2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E22 compound treatment 0.257 0.0135 0.67 0.256 0.0117 0.64 0.9272 0.9998 2068835 IFLab1_006094 CCOc1cc(/C=N/S(=O)(=O)c2cccs2)cc(Br)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E23 mock treatment 0.245 0.00152 0.07 0.25 0.00574 0.31 0.2756 0.8515 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 E24 mock treatment 0.243 -4.84E-4 -0.02 0.235 -0.00926 -0.51 -0.3758 -0.7396 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F01 compound treatment 0.253 0.00952 0.47 0.246 0.00174 0.1 0.3998 0.8338 2068836 IFLab1_006095 CSc1nnc(COc2ccccc2)n1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F02 compound treatment 0.253 0.00952 0.47 0.257 0.0127 0.7 0.8263 0.9814 2068837 IFLab1_006096 CCOc1ccccc1N2C(=O)/C(=C\c3cccs3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F03 compound treatment 0.26 0.0165 0.82 0.261 0.0167 0.92 1.2258 0.9983 2068838 IFLab1_006097 CCN(CC)C(=O)/C=C/c1ccc(o1)c2cc(Cl)ccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F04 compound treatment 0.293 0.0495 2.45 0.284 0.0397 2.18 3.2698 0.9983 2068839 IFLab1_006098 COc1cc(/C=C\2/SC(=O)N(C2=O)c3ccc(C)cc3)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F05 compound treatment 0.252 0.00852 0.42 0.254 0.00974 0.53 0.6751 0.993 2068840 IFLab1_006099 COc1ccc(CCNCC2CCCO2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F06 compound treatment 0.261 0.0175 0.86 0.259 0.0147 0.81 1.1832 0.9994 2068841 IFLab1_006100 Clc1cc(Cl)cc(c1)N2C(=O)/C(=C/c3cccs3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F07 compound treatment 0.28 0.0365 1.8 0.273 0.0287 1.58 2.3894 0.9977 1703775 IFLab1_006101 Brc1ccc(cc1)c2cn3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F08 compound treatment 0.26 0.0165 0.82 0.259 0.0147 0.81 1.1483 1.0 1559763 IFLab1_006102 CCCN(CCC)C(=O)c1cc2ccccc2cc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F09 compound treatment 0.259 0.0155 0.77 0.258 0.0137 0.75 1.0746 1.0 1785241 IFLab1_006103 Cc1ccc2[nH]c(=O)c(CC(=O)O)c(c3ccccc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F10 compound treatment 0.248 0.00452 0.22 0.254 0.00974 0.53 0.5354 0.925 2068842 IFLab1_006104 COc1ccccc1OCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F11 compound treatment 0.282 0.0385 1.9 0.283 0.0387 2.12 2.8469 0.9985 2068843 IFLab1_006105 Fc1ccc(CN2C(=O)S/C(=C\C(=O)Nc3nccs3)/C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F12 compound treatment 0.26 0.0165 0.82 0.253 0.00874 0.48 0.9156 0.9679 2068844 IFLab1_006106 Clc1ccccc1c2nnc(o2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F13 compound treatment 0.251 0.00752 0.37 0.256 0.0117 0.64 0.7177 0.9658 2068845 IFLab1_006107 COCc1nc2ccccc2n1Cc3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F14 compound treatment 0.274 0.0305 1.51 0.29 0.0457 2.51 2.839 0.9703 2068846 IFLab1_006108 Cc1ccc(CC2SC(=N)NC2=O)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F15 compound treatment 0.259 0.0155 0.77 0.257 0.0127 0.7 1.0358 0.9989 1705662 IFLab1_006109 C1CNC(C1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F16 compound treatment 0.269 0.0255 1.26 0.272 0.0277 1.52 1.9665 0.9956 2068847 IFLab1_006110 Cc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F17 compound treatment 0.265 0.0215 1.06 0.266 0.0217 1.19 1.5942 0.9984 2068848 IFLab1_006111 COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F18 compound treatment 0.294 0.0505 2.49 0.291 0.0467 2.56 3.5761 0.9999 2068849 IFLab1_006112 Oc1ccc(O)c(Sc2nnnn2c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F19 compound treatment 0.252 0.00852 0.42 0.258 0.0137 0.75 0.8301 0.9621 2068850 IFLab1_006113 CC(C)NCC(O)COc1cc(C)cc(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F20 compound treatment 0.255 0.0115 0.57 0.255 0.0107 0.59 0.8186 0.9998 2068851 IFLab1_006114 O=C1CN(c2ccccc2N1)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F21 compound treatment 0.264 0.0205 1.01 0.264 0.0197 1.08 1.4818 0.9995 1415204 IFLab1_006115 Brc1c(nc2ccccn12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F22 compound treatment 0.257 0.0135 0.67 0.259 0.0147 0.81 1.0435 0.9955 2068852 IFLab1_006116 CCc1cc(C(=O)OC)c(NC(=O)/C=C/C(=O)O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F23 mock treatment 0.25 0.00652 0.32 0.254 0.00974 0.53 0.6052 0.9706 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 F24 mock treatment 0.251 0.00752 0.37 0.247 0.00274 0.15 0.3688 0.9209 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G01 compound treatment 0.237 -0.00648 -0.32 0.237 -0.00726 -0.4 -0.5078 -0.9942 2068853 IFLab1_006117 COc1cc(ccc1Cl)S(=O)(=O)n2ccc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G02 compound treatment 0.252 0.00852 0.42 0.252 0.00774 0.42 0.5975 1.0 2068854 IFLab1_006118 CC(C)Cn1c(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G03 compound treatment 0.253 0.00952 0.47 0.258 0.0137 0.75 0.8651 0.9742 1146217 IFLab1_006119 Clc1c(sc2cc(Cl)ccc12)C(=O)NCCN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G04 compound treatment 0.256 0.0125 0.62 0.262 0.0177 0.97 1.1249 0.976 2068855 IFLab1_006120 CCOC(=O)Cn1c2ccc(Cl)cc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G05 compound treatment 0.251 0.00752 0.37 0.248 0.00374 0.21 0.4075 0.9609 1013038 IFLab1_006121 Cc1ccccc1NS(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G06 compound treatment 0.243 -4.84E-4 -0.02 0.259 0.0147 0.81 0.5547 0.6859 2068856 IFLab1_006122 Clc1ccc(s1)S(=O)(=O)NN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G07 compound treatment 0.335 0.0915 4.52 0.311 0.0667 3.66 5.7832 0.9945 2068857 IFLab1_006123 Fc1ccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)/SC2=S)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G08 compound treatment 0.255 0.0115 0.57 0.255 0.0107 0.59 0.8186 0.9998 2068858 IFLab1_006124 Cc1nc2ccccc2cc1C(=O)NCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G09 compound treatment 0.262 0.0185 0.91 0.253 0.00874 0.48 0.9855 0.9546 2068859 IFLab1_006125 Clc1ccc(cc1)c2csc3ncnn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G10 compound treatment 0.299 0.0555 2.74 0.291 0.0467 2.56 3.7507 0.9994 2068860 IFLab1_006126 NC1=C(C#N)C(c2cccnc2)c3ccc(N)cc3O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G11 compound treatment 0.248 0.00452 0.22 0.248 0.00374 0.21 0.3028 0.9991 2068861 IFLab1_006127 COc1ccccc1N(C)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G12 compound treatment 0.267 0.0235 1.16 0.255 0.0107 0.59 1.2376 0.9505 2068862 IFLab1_006128 O=C(/C=C/c1ccccc1)N2CCNC(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G13 compound treatment 0.25 0.00652 0.32 0.255 0.0107 0.59 0.644 0.9596 2068863 IFLab1_006129 CCOc1ccc(cc1)n2nnnc2c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G14 compound treatment 0.25 0.00652 0.32 0.254 0.00974 0.53 0.6052 0.9706 1650810 IFLab1_006130 COc1ccc(cc1)C2C(=C(N)OC(=C2C(=O)OCc3ccccc3)C)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G15 compound treatment 0.254 0.0105 0.52 0.254 0.00974 0.53 0.7449 0.9999 2068864 IFLab1_006131 ClC1(Cl)CC1Cn2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G16 compound treatment 0.262 0.0185 0.91 0.26 0.0157 0.86 1.2569 0.9996 2068865 IFLab1_006132 CN(C)CCN1C(C(=C(O)C1=O)C(=O)c2cc3ccccc3o2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G17 compound treatment 0.271 0.0275 1.36 0.259 0.0147 0.81 1.5324 0.9692 1147748 IFLab1_006133 Cc1cccc(OCCn2c(CO)nc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G18 compound treatment 0.253 0.00952 0.47 0.26 0.0157 0.86 0.9426 0.9591 1082165 IFLab1_006134 CC1(C)OC(=O)N(C1=C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G19 compound treatment 0.246 0.00252 0.12 0.255 0.0107 0.59 0.5043 0.8378 2068866 IFLab1_006135 OCc1nc2ccccc2n1CC3CC3(Cl)Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G20 compound treatment 0.27 0.0265 1.31 0.255 0.0107 0.59 1.3424 0.9349 2068867 IFLab1_006136 CC1CCCCN1CC(O)Cn2c(C)c(C)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G21 compound treatment 0.247 0.00352 0.17 0.248 0.00374 0.21 0.2679 0.9966 2068868 IFLab1_006137 CC(C)N1C(=O)/C(=C/c2ccc(cc2)N(C)C)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G22 compound treatment 0.244 5.16E-4 0.03 0.25 0.00574 0.31 0.2406 0.7619 2068869 IFLab1_006138 CC(NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G23 mock treatment 0.248 0.00452 0.22 0.249 0.00474 0.26 0.3415 0.9971 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 G24 mock treatment 0.241 -0.00248 -0.12 0.238 -0.00626 -0.34 -0.3294 -0.9039 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H01 compound treatment 0.25 0.00652 0.32 0.252 0.00774 0.42 0.5277 0.9907 2068870 IFLab1_006139 CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H02 compound treatment 0.273 0.0295 1.46 0.276 0.0317 1.74 2.2613 0.9961 2068871 IFLab1_006140 Cc1ccc(/N=C/2\NC(=O)\C(=C/c3cccs3)\S2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H03 compound treatment 0.286 0.0425 2.1 0.282 0.0377 2.07 2.9478 1.0 2068872 IFLab1_006141 Clc1ccc(Cl)c(c1)c2ccc(/C=C/C(=O)N3CCOCC3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H04 compound treatment 0.434 0.191 9.41 0.431 0.187 10.24 13.8925 0.9991 2068873 IFLab1_006142 CCC(N1C(=O)/C(=C\C(=C\c2ccccc2)\C)/SC1=S)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H05 compound treatment 0.27 0.0265 1.31 0.251 0.00674 0.37 1.1873 0.8726 1249854 IFLab1_006143 COc1ccc(CNCC2CCCO2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H06 compound treatment 0.25 0.00652 0.32 0.255 0.0107 0.59 0.644 0.9596 2068874 IFLab1_006144 Clc1ccc(cc1Cl)N2C(=O)/C(=C/c3cccs3)/SC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H07 compound treatment 0.258 0.0145 0.72 0.251 0.00674 0.37 0.7683 0.9526 2068875 IFLab1_006145 Cc1ccn2cc(nc2c1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H08 compound treatment 0.258 0.0145 0.72 0.255 0.0107 0.59 0.9233 0.9952 2068876 IFLab1_006146 FC(F)(F)S(=O)(=O)Nc1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H09 compound treatment 0.254 0.0105 0.52 0.254 0.00974 0.53 0.7449 0.9999 2068877 IFLab1_006147 Brc1ccc2[nH]c(=O)c(CN3CCCCC3)c(c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H10 compound treatment 0.256 0.0125 0.62 0.256 0.0117 0.64 0.8923 0.9998 1066538 IFLab1_006148 Cc1ccc(OCCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H11 compound treatment 0.266 0.0225 1.11 0.257 0.0127 0.7 1.2802 0.9749 2068878 IFLab1_006149 COc1ccc2cc(sc(=O)c2c1OC)C(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H12 compound treatment 0.255 0.0115 0.57 0.258 0.0137 0.75 0.9349 0.9904 2068879 IFLab1_006150 Brc1cccc(c1)c2nnco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H13 compound treatment 0.248 0.00452 0.22 0.255 0.0107 0.59 0.5742 0.9117 2068880 IFLab1_006151 COCc1nc2ccccc2n1CC(=O)N(C(C)C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H14 compound treatment 0.25 0.00652 0.32 0.255 0.0107 0.59 0.644 0.9596 2068881 IFLab1_006152 CCOC(=O)c1ccc(CC2SC(=N)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H15 compound treatment 0.256 0.0125 0.62 0.256 0.0117 0.64 0.8923 0.9998 1920651 IFLab1_006153 Cc1ccc(cc1)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H16 compound treatment 0.267 0.0235 1.16 0.27 0.0257 1.41 1.8192 0.9953 2068882 IFLab1_006154 COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H17 compound treatment 0.263 0.0195 0.96 0.266 0.0217 1.19 1.5244 0.9944 2068883 IFLab1_006155 CN(Cc1ccccc1)S(=O)(=O)c2ccc(C)c(c2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H18 compound treatment 0.27 0.0265 1.31 0.257 0.0127 0.7 1.4199 0.9567 2068884 IFLab1_006156 C(=C/c1ccccc1)\c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H19 compound treatment 0.261 0.0175 0.86 0.257 0.0127 0.7 1.1056 0.9944 2068885 IFLab1_006157 CC1CC(CC(C)(C)C1)OCC(O)CN2CCN(CC2)c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H20 compound treatment 0.245 0.00152 0.07 0.252 0.00774 0.42 0.3531 0.8192 2068886 IFLab1_006158 CCCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H21 compound treatment 0.255 0.0115 0.57 0.249 0.00474 0.26 0.586 0.9371 2068887 IFLab1_006159 Cc1cccc2nc(CSc3nncn3c4ccccc4)cn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H22 compound treatment 0.25 0.00652 0.32 0.256 0.0117 0.64 0.6828 0.9486 2068888 IFLab1_006160 O=C1CC(Nc2ccc(cc2)N3CCOCC3)C(=O)N1C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H23 mock treatment 0.254 0.0105 0.52 0.256 0.0117 0.64 0.8224 0.9943 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 H24 mock treatment 0.248 0.00452 0.22 0.237 -0.00726 -0.4 -0.1237 -0.2712 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I01 compound treatment 0.246 0.00252 0.12 0.251 0.00674 0.37 0.3492 0.8955 2068889 IFLab1_006161 CCOc1ccc(cc1)S(=O)(=O)n2ccc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I02 compound treatment 0.253 0.00952 0.47 0.257 0.0127 0.7 0.8263 0.9814 2068890 IFLab1_006162 CCn1c(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I03 compound treatment 0.254 0.0105 0.52 0.258 0.0137 0.75 0.9 0.9835 2068891 IFLab1_006163 CCOC(=O)c1ccc2nc(nc(Cl)c2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I04 compound treatment 0.253 0.00952 0.47 0.252 0.00774 0.42 0.6324 0.9987 2068892 IFLab1_006164 COc1ccc(Cn2c(=O)oc3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I05 compound treatment 0.257 0.0135 0.67 0.255 0.0107 0.59 0.8884 0.9981 1013041 IFLab1_006165 COc1ccc(NS(=O)(=O)N2CCCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I06 compound treatment 0.256 0.0125 0.62 0.257 0.0127 0.7 0.931 0.9981 2068893 IFLab1_006166 CN(c1ccccc1)S(=O)(=O)c2ccc(C)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I07 compound treatment 0.286 0.0425 2.1 0.284 0.0397 2.18 3.0254 0.9998 2068894 IFLab1_006167 C/C(=C\c1ccccc1)/C=C\2/SC(=S)N(CCC(=O)Nc3nc(C)cs3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I08 compound treatment 0.26 0.0165 0.82 0.255 0.0107 0.59 0.9932 0.9872 2068895 IFLab1_006168 Cc1nc2ccccc2cc1C(=O)NCc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I09 compound treatment 0.262 0.0185 0.91 0.26 0.0157 0.86 1.2569 0.9996 2068896 IFLab1_006169 c1sc2nc(nn2c1c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I10 compound treatment 0.261 0.0175 0.86 0.259 0.0147 0.81 1.1832 0.9994 2068897 IFLab1_006170 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2cccnc2)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I11 compound treatment 0.255 0.0115 0.57 0.253 0.00874 0.48 0.741 0.9964 2068898 IFLab1_006171 COc1ccccc1N(C(=O)C)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I12 compound treatment 0.267 0.0235 1.16 0.266 0.0217 1.19 1.6641 0.9999 1537771 IFLab1_006172 COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I13 compound treatment 0.276 0.0325 1.61 0.275 0.0307 1.69 2.3273 0.9997 2068899 IFLab1_006173 COc1ccc(cc1)n2nnnc2c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I14 compound treatment 0.255 0.0115 0.57 0.259 0.0147 0.81 0.9737 0.9852 2068900 IFLab1_006174 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(Cl)cc2)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I15 compound treatment 0.251 0.00752 0.37 0.255 0.0107 0.59 0.6789 0.9752 2068901 IFLab1_006175 Cc1nc2ccccc2n1CC3CC3(Cl)Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I16 compound treatment 0.259 0.0155 0.77 0.266 0.0217 1.19 1.3847 0.9772 2068902 IFLab1_006176 CN(C)CCN1C(C(=C(O)C1=O)C(=O)c2ccc(F)cc2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I17 compound treatment 0.272 0.0285 1.41 0.27 0.0257 1.41 1.9938 1.0 2068903 IFLab1_006177 Cc1cc2ncn(Cc3ccccc3F)c2cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I18 compound treatment 0.258 0.0145 0.72 0.26 0.0157 0.86 1.1172 0.9957 2068904 IFLab1_006178 CC(C)NC(CC(=O)Nc1cccc(C)c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I19 compound treatment 0.258 0.0145 0.72 0.265 0.0207 1.14 1.311 0.9752 2068905 IFLab1_006179 CCC(C)Cn1c(nc2ccccc12)C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I20 compound treatment 0.249 0.00552 0.27 0.254 0.00974 0.53 0.5703 0.9512 2068906 IFLab1_006180 Cc1c(C)c2cc(C)ccc2n1CC(O)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I21 compound treatment 0.252 0.00852 0.42 0.259 0.0147 0.81 0.8689 0.9536 2068907 IFLab1_006181 CC(C)N1C(=O)/C(=C\2/C(=O)Nc3ccccc23)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I22 compound treatment 0.258 0.0145 0.72 0.262 0.0177 0.97 1.1947 0.9887 2068908 IFLab1_006182 COC(=O)c1ccc(/C=[N+](\[O-])/c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I23 mock treatment 0.253 0.00952 0.47 0.254 0.00974 0.53 0.71 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 I24 mock treatment 0.25 0.00652 0.32 0.252 0.00774 0.42 0.5277 0.9907 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J01 compound treatment 0.245 0.00152 0.07 0.247 0.00274 0.15 0.1592 0.9482 2068909 IFLab1_006183 Cc1ccc2cccc(c2n1)S(=O)(=O)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J02 compound treatment 0.246 0.00252 0.12 0.251 0.00674 0.37 0.3492 0.8955 2068910 IFLab1_006184 COc1cc(/C=C\2/S/C(=N/c3cccc(Cl)c3Cl)/NC2=O)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J03 compound treatment 0.25 0.00652 0.32 0.248 0.00374 0.21 0.3726 0.9764 1155277 IFLab1_006185 NC(=O)CCn1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J04 compound treatment 0.426 0.183 9.01 0.412 0.168 9.2 12.8765 0.9999 2068911 IFLab1_006186 CCOc1cc(/C=C\2/SC(=S)N(C(C(=O)O)c3ccccc3)C2=O)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J05 compound treatment 0.248 0.00452 0.22 0.25 0.00574 0.31 0.3803 0.9857 2068912 IFLab1_006187 CCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J06 compound treatment 0.273 0.0295 1.46 0.272 0.0277 1.52 2.1062 0.9998 2068913 IFLab1_006188 Oc1ccccc1/C=N/c2c(c3ccccc3)c4cc(Br)ccc4[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J07 compound treatment 0.288 0.0445 2.2 0.283 0.0387 2.12 3.0565 0.9999 2068914 IFLab1_006189 COC(=O)CNC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J08 compound treatment 0.273 0.0295 1.46 0.274 0.0297 1.63 2.1838 0.9984 1428158 IFLab1_006190 CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J09 compound treatment 0.251 0.00752 0.37 0.253 0.00874 0.48 0.6014 0.992 1785243 IFLab1_006191 Brc1ccc2[nH]c(=O)c(CN3CCOCC3)c(c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J10 compound treatment 0.251 0.00752 0.37 0.251 0.00674 0.37 0.5238 1.0 1072842 IFLab1_006192 COc1ccc(OCCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J11 compound treatment 0.241 -0.00248 -0.12 0.258 0.0137 0.75 0.446 0.5843 2068915 IFLab1_006193 O=C(N1CCOCC1)c2cc3ccccc3c(=O)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J12 compound treatment 0.258 0.0145 0.72 0.256 0.0117 0.64 0.9621 0.9986 2068916 IFLab1_006194 Cc1ccc(cc1)c2nnco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J13 compound treatment 0.242 -0.00148 -0.07 0.25 0.00574 0.31 0.1708 0.5284 2068917 IFLab1_006195 CCc1cccc(C)c1N(C(C)COC)C(=O)Cn2c(COC)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J14 compound treatment 0.25 0.00652 0.32 0.255 0.0107 0.59 0.644 0.9596 1877847 IFLab1_006196 OC(=O)c1ccc(CC2SC(=O)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J15 compound treatment 0.248 0.00452 0.22 0.256 0.0117 0.64 0.6129 0.8996 2068918 IFLab1_006197 CCn1c(nc2ccccc12)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J16 compound treatment 0.309 0.0655 3.24 0.383 0.139 7.61 7.6668 0.9274 1594185 IFLab1_006198 Clc1ccc(Cl)c(c1)c2ccc(o2)C(=O)Nc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J17 compound treatment 0.281 0.0375 1.85 0.312 0.0677 3.71 3.9364 0.9484 2068919 IFLab1_006199 CN(Cc1ccccc1)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J18 compound treatment 0.239 -0.00448 -0.22 0.238 -0.00626 -0.34 -0.3992 -0.9775 2068920 IFLab1_006200 Cc1ccccc1N/2C(=O)C(Cc3ccccc3)S\C2=C(\C#N)/C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J19 compound treatment 0.254 0.0105 0.52 0.273 0.0287 1.58 1.4815 0.8929 2068921 IFLab1_006201 CC1(C)C(OCC(O)CN2CCN(CC2)c3cccc(c3)C(F)(F)F)C4(C)CCC1C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J20 compound treatment 0.238 -0.00548 -0.27 0.249 0.00474 0.26 -0.0076 -0.0203 2068922 IFLab1_006202 CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J21 compound treatment 0.255 0.0115 0.57 0.258 0.0137 0.75 0.9349 0.9904 2068923 IFLab1_006203 Cc1cc(C)nc(SCc2csc(n2)c3ccccc3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J22 compound treatment 0.264 0.0205 1.01 0.259 0.0147 0.81 1.2879 0.9937 2068924 IFLab1_006204 Cc1ccc(N2C(=O)CC(Nc3ccc(cc3)N4CCOCC4)C2=O)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J23 mock treatment 0.245 0.00152 0.07 0.247 0.00274 0.15 0.1592 0.9482 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 J24 mock treatment 0.244 5.16E-4 0.03 0.247 0.00274 0.15 0.1243 0.8153 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K01 compound treatment 0.245 0.00152 0.07 0.251 0.00674 0.37 0.3143 0.8334 1150198 IFLab1_006205 O=C(Nc1nccs1)c2cccc3C(=O)c4ccccc4-c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K02 compound treatment 0.252 0.00852 0.42 0.256 0.0117 0.64 0.7526 0.9787 2068925 IFLab1_006206 CC(C)n1c(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K03 compound treatment 0.258 0.0145 0.72 0.253 0.00874 0.48 0.8458 0.9809 2068926 IFLab1_006207 O=C(/N=C/1\SC2CS(=O)(=O)CC2N1c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K04 compound treatment 0.255 0.0115 0.57 0.257 0.0127 0.7 0.8961 0.9948 2068927 IFLab1_006208 O=c1oc2ccccc2n1CCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K05 compound treatment 0.257 0.0135 0.67 0.259 0.0147 0.81 1.0435 0.9955 2068928 IFLab1_006209 CNc1nnc(CSc2nc(C)cc(C)n2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K06 compound treatment 0.258 0.0145 0.72 0.264 0.0197 1.08 1.2723 0.98 2068929 IFLab1_006210 Cc1ccc(s1)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K07 compound treatment 0.252 0.00852 0.42 0.256 0.0117 0.64 0.7526 0.9787 2068930 IFLab1_006211 COc1ccc(cc1OC)C(=O)n2c(SC)nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K08 compound treatment 0.262 0.0185 0.91 0.261 0.0167 0.92 1.2956 1.0 2068931 IFLab1_006212 Cc1nc2ccccc2cc1C(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K09 compound treatment 0.299 0.0555 2.74 0.286 0.0417 2.29 3.5569 0.996 2068932 IFLab1_006213 COc1ccc(cc1)c2nc3scc(c4ccccc4)n3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K10 compound treatment 0.284 0.0405 2.0 0.287 0.0427 2.34 3.0719 0.9969 2068933 IFLab1_006214 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)/C=C/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K11 compound treatment 0.25 0.00652 0.32 0.252 0.00774 0.42 0.5277 0.9907 2068934 IFLab1_006215 CC1CCCCN1S(=O)(=O)c2cc(Cl)ccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K12 compound treatment 0.252 0.00852 0.42 0.26 0.0157 0.86 0.9077 0.9454 2068935 IFLab1_006216 O=C(NCCC1=CCCCC1)/C=C/c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K13 compound treatment 0.256 0.0125 0.62 0.259 0.0147 0.81 1.0086 0.9912 2068936 IFLab1_006217 Cc1cccc(c1)n2nnnc2c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K14 compound treatment 0.246 0.00252 0.12 0.257 0.0127 0.7 0.5819 0.82 1289756 IFLab1_006218 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2C)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K15 compound treatment 0.247 0.00352 0.17 0.25 0.00574 0.31 0.3454 0.9607 2068937 IFLab1_006219 CCCn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K16 compound treatment 0.269 0.0255 1.26 0.272 0.0277 1.52 1.9665 0.9956 2068938 IFLab1_006220 Cc1ccc(cc1)c2nc(N)s[n+]2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K17 compound treatment 0.249 0.00552 0.27 0.25 0.00574 0.31 0.4152 0.9974 2068939 IFLab1_006221 Cc1cc2ncn(C(=O)c3ccccc3C(=O)O)c2cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K18 compound treatment 0.258 0.0145 0.72 0.26 0.0157 0.86 1.1172 0.9957 2068940 IFLab1_006222 CC(C)NC(CC(=O)Nc1ccccc1Cl)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K19 compound treatment 0.282 0.0385 1.9 0.284 0.0397 2.18 2.8857 0.9977 2068941 IFLab1_006223 CCN1C(=O)/C(=C\c2ccc(OCC(=O)N)c(OC)c2)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K20 compound treatment 0.322 0.0785 3.88 0.313 0.0687 3.77 5.4068 0.9999 2068942 IFLab1_006224 Cc1c(C)c2cc(C)ccc2n1CC(O)Cn3nnc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K21 compound treatment 0.246 0.00252 0.12 0.252 0.00774 0.42 0.388 0.8773 2068943 IFLab1_006225 COc1cc(/C=C\2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K22 compound treatment 0.254 0.0105 0.52 0.255 0.0107 0.59 0.7837 0.998 2068944 IFLab1_006226 CCOC(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K23 mock treatment 0.248 0.00452 0.22 0.248 0.00374 0.21 0.3028 0.9991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 K24 mock treatment 0.25 0.00652 0.32 0.251 0.00674 0.37 0.4889 0.9976 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L01 compound treatment 0.262 0.0185 0.91 0.261 0.0167 0.92 1.2956 1.0 2068945 IFLab1_006227 CSc1nnc(COc2cccc3ccc(C)nc23)n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L02 compound treatment 0.252 0.00852 0.42 0.253 0.00874 0.48 0.6363 0.9979 2068946 IFLab1_006228 Clc1cccc(NC2=NC(=O)/C(=C\c3cccs3)/S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L03 compound treatment 0.258 0.0145 0.72 0.257 0.0127 0.7 1.0009 0.9999 2068947 IFLab1_006229 Cc1ccc2oc(=O)n(c2c1)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L04 compound treatment 0.29 0.0465 2.3 0.287 0.0427 2.34 3.2814 0.9999 2068948 IFLab1_006230 COc1cc(/C=C\2/S/C(=N/c3ccccc3C(F)(F)F)/NC2=O)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L05 compound treatment 0.272 0.0285 1.41 0.276 0.0317 1.74 2.2264 0.9945 2068949 IFLab1_006231 Cc1ccccc1OCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L06 compound treatment 0.269 0.0255 1.26 0.267 0.0227 1.25 1.7727 1.0 2068950 IFLab1_006232 OC(=O)Cn1c2ccc(Cl)cc2c3nc4ccccc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L07 compound treatment 0.248 0.00452 0.22 0.252 0.00774 0.42 0.4579 0.9548 1142586 IFLab1_006233 COC(=O)Cc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L08 compound treatment 0.258 0.0145 0.72 0.254 0.00974 0.53 0.8846 0.9895 1550348 IFLab1_006234 CCN1CCN(CC1)C(=O)c2cc(nc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L09 compound treatment 0.255 0.0115 0.57 0.255 0.0107 0.59 0.8186 0.9998 1785242 IFLab1_006235 Cc1ccc2[nH]c(=O)c(CN3CCCCC3)c(c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L10 compound treatment 0.254 0.0105 0.52 0.253 0.00874 0.48 0.7061 0.9992 2068951 IFLab1_006236 Cc1cccc(OCCC(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L11 compound treatment 0.248 0.00452 0.22 0.259 0.0147 0.81 0.7292 0.8697 2068952 IFLab1_006237 CC(=C)Cn1c(nc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L12 compound treatment 0.255 0.0115 0.57 0.263 0.0187 1.03 1.1288 0.9611 1052523 IFLab1_006238 Oc1ccccc1c2nnco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L13 compound treatment 0.256 0.0125 0.62 0.266 0.0217 1.19 1.28 0.9532 2068953 IFLab1_006239 CCn1c(nc2ccccc12)c3cccc(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L14 compound treatment 0.266 0.0225 1.11 0.289 0.0447 2.45 2.5209 0.9359 2068954 IFLab1_006240 Cc1ccc(cc1C)C2=CC(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L15 compound treatment 0.259 0.0155 0.77 0.266 0.0217 1.19 1.3847 0.9772 1871622 IFLab1_006241 COc1ccccc1Nc2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L16 compound treatment 0.282 0.0385 1.9 0.287 0.0427 2.34 3.002 0.9946 2068955 IFLab1_006242 NS(=O)(=O)c1ccc(NC(=O)c2ccc(o2)c3ccccc3Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L17 compound treatment 0.281 0.0375 1.85 0.29 0.0457 2.51 3.0834 0.9889 2068956 IFLab1_006243 O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCc4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L18 compound treatment 0.247 0.00352 0.17 0.249 0.00474 0.26 0.3066 0.9807 2068957 IFLab1_006244 CC1S/C(=C(/C#N)\C(=O)N)/N(C1=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L19 compound treatment 0.26 0.0165 0.82 0.267 0.0227 1.25 1.4584 0.9788 2068958 IFLab1_006245 CC1CC(CC(C)(C)C1)OCC(O)CN2CCN(Cc3ccc(Cl)cc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L20 compound treatment 0.252 0.00852 0.42 0.258 0.0137 0.75 0.8301 0.9621 2068959 IFLab1_006246 CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L21 compound treatment 0.245 0.00152 0.07 0.249 0.00474 0.26 0.2368 0.8752 2068960 IFLab1_006247 Brc1ccc(cc1)C(=O)CS[n+]2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L22 compound treatment 0.249 0.00552 0.27 0.254 0.00974 0.53 0.5703 0.9512 2068961 IFLab1_006248 O=C(CC1Nc2ccccc2NC1=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L23 mock treatment 0.256 0.0125 0.62 0.254 0.00974 0.53 0.8147 0.9974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 L24 mock treatment 0.248 0.00452 0.22 0.249 0.00474 0.26 0.3415 0.9971 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M01 compound treatment 0.245 0.00152 0.07 0.244 -2.58E-4 -0.01 0.0429 0.5635 2068962 IFLab1_006249 Cc1nc2ccccc2n1CC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M02 compound treatment 0.252 0.00852 0.42 0.252 0.00774 0.42 0.5975 1.0 2068963 IFLab1_006250 Fc1ccc(Cn2c(nc3ccccc23)c4ccco4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M03 compound treatment 0.253 0.00952 0.47 0.25 0.00574 0.31 0.5549 0.981 1670110 IFLab1_006251 CC(=O)N(C1CS(=O)(=O)C=C1)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M04 compound treatment 0.252 0.00852 0.42 0.253 0.00874 0.48 0.6363 0.9979 2068964 IFLab1_006252 CC(C)N(C(=O)Cn1c(=O)oc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M05 compound treatment 0.262 0.0185 0.91 0.262 0.0177 0.97 1.3344 0.9995 2068965 IFLab1_006253 COc1ccc(NC(=O)CCCSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M06 compound treatment 0.249 0.00552 0.27 0.254 0.00974 0.53 0.5703 0.9512 2068966 IFLab1_006254 Cc1ccc(s1)S(=O)(=O)N2CCCC(C2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M07 compound treatment 0.255 0.0115 0.57 0.25 0.00574 0.31 0.6247 0.9611 2068967 IFLab1_006255 CSc1nc2ccccc2n1C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M08 compound treatment 0.278 0.0345 1.7 0.273 0.0287 1.58 2.3196 0.9992 2068968 IFLab1_006256 Cc1nc2ccccc2cc1C(=O)Nc3cccc(F)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M09 compound treatment 0.276 0.0325 1.61 0.264 0.0197 1.08 1.9008 0.9816 2068969 IFLab1_006257 CN(C)C(=O)c1cn(nc1c2cc3ccccc3oc2=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M10 compound treatment 0.252 0.00852 0.42 0.251 0.00674 0.37 0.5588 0.9979 2068970 IFLab1_006258 C[n+]1noc(NC(=O)C(F)(F)F)c1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M11 compound treatment 0.247 0.00352 0.17 0.246 0.00174 0.1 0.1903 0.9604 2068971 IFLab1_006259 Brc1ccc(NP2(=O)CC=CC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M12 compound treatment 0.254 0.0105 0.52 0.257 0.0127 0.7 0.8612 0.9893 2068972 IFLab1_006260 Cc1cc(C)n(n1)C(=O)COc2cc(C)cc(C)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M13 compound treatment 0.261 0.0175 0.86 0.261 0.0167 0.92 1.2607 0.9996 2068973 IFLab1_006261 COc1ccccc1n2nnnc2c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M14 compound treatment 0.259 0.0155 0.77 0.262 0.0177 0.97 1.2297 0.993 1312516 IFLab1_006262 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M15 compound treatment 0.243 -4.84E-4 -0.02 0.253 0.00874 0.48 0.322 0.671 2068974 IFLab1_006263 CCC(=O)NCCc1nc2ccccc2n1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M16 compound treatment 0.301 0.0575 2.84 0.309 0.0647 3.55 4.5184 0.9939 2068975 IFLab1_006264 Cc1ccc(cc1)c2nc(Nc3ccccc3)n[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M17 compound treatment 0.26 0.0165 0.82 0.262 0.0177 0.97 1.2646 0.9962 1142502 IFLab1_006265 Cc1ccccc1OCCn2cnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M18 compound treatment 0.254 0.0105 0.52 0.264 0.0197 1.08 1.1326 0.9434 2068976 IFLab1_006266 COc1ccc(NC(=O)CC(NC(C)c2ccccc2)C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M19 compound treatment 0.252 0.00852 0.42 0.248 0.00374 0.21 0.4424 0.9456 2068977 IFLab1_006267 CCN(CC)c1ccc(/C=C\2/SC(=S)N(CC)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M20 compound treatment 0.24 -0.00348 -0.17 0.245 7.42E-4 0.04 -0.0929 -0.5254 2068978 IFLab1_006268 Cc1cc(C)n(CC(O)Cn2c(C)c(C)c3cc(C)ccc23)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M21 compound treatment 0.25 0.00652 0.32 0.253 0.00874 0.48 0.5665 0.9812 2068979 IFLab1_006269 O=S(=O)(/N=C(\Nc1ccccn1)/c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M22 compound treatment 0.258 0.0145 0.72 0.254 0.00974 0.53 0.8846 0.9895 2068980 IFLab1_006270 OCCNC(=O)CSc1nc2ccccc2c(=O)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M23 mock treatment 0.246 0.00252 0.12 0.25 0.00574 0.31 0.3105 0.9173 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 M24 mock treatment 0.247 0.00352 0.17 0.247 0.00274 0.15 0.2291 0.9974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N01 compound treatment 0.234 -0.00948 -0.47 0.249 0.00474 0.26 -0.1473 -0.275 1398650 IFLab1_006271 Cc1cc(Nc2ccccc2)n(n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N02 compound treatment 0.296 0.0525 2.59 0.297 0.0527 2.89 3.8786 0.9985 2068981 IFLab1_006272 Brc1ccccc1NC2=NC(=O)/C(=C\c3cccs3)/S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N03 compound treatment 0.247 0.00352 0.17 0.25 0.00574 0.31 0.3454 0.9607 2068982 IFLab1_006273 NC(=O)CCn1c(=O)sc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N04 compound treatment 0.276 0.0325 1.61 0.274 0.0297 1.63 2.2885 1.0 2068983 IFLab1_006274 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3C(F)(F)F)/NC2=O)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N05 compound treatment 0.257 0.0135 0.67 0.259 0.0147 0.81 1.0435 0.9955 1753888 IFLab1_006275 CN1CCN(CC1)S(=O)(=O)c2ccc(N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N06 compound treatment 0.251 0.00752 0.37 0.248 0.00374 0.21 0.4075 0.9609 2068984 IFLab1_006276 Cc1ccc2oc(=O)n(CCOc3ccccc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N07 compound treatment 0.248 0.00452 0.22 0.25 0.00574 0.31 0.3803 0.9857 1580625 IFLab1_006277 CCOC(=O)Cc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N08 compound treatment 0.252 0.00852 0.42 0.241 -0.00326 -0.18 0.171 0.3744 2068985 IFLab1_006278 O=C/1/C(=C/c2cccnc2)/CCCC\C1=C/c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N09 compound treatment 0.269 0.0255 1.26 0.268 0.0237 1.3 1.8115 0.9999 1219786 IFLab1_006279 Clc1ccc2[nH]c(=O)c(NS(=O)(=O)c3ccccc3)c(c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N10 compound treatment 0.251 0.00752 0.37 0.246 0.00174 0.1 0.33 0.861 1321283 IFLab1_006280 OC(=O)Cn1c(Cc2ccccc2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N11 compound treatment 0.25 0.00652 0.32 0.246 0.00174 0.1 0.2951 0.8791 2068986 IFLab1_006281 CC(O)c1nc2ccccc2n1Cc3ccccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N12 compound treatment 0.248 0.00452 0.22 0.247 0.00274 0.15 0.264 0.9816 2068987 IFLab1_006282 C(Sc1nnc(o1)c2ccccc2)c3cn4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N13 compound treatment 0.252 0.00852 0.42 0.252 0.00774 0.42 0.5975 1.0 2068988 IFLab1_006283 CCC(=O)NCc1nc2ccccc2n1Cc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N14 compound treatment 0.259 0.0155 0.77 0.256 0.0117 0.64 0.997 0.9963 2068989 IFLab1_006284 Cc1ccc(cc1C)c2cc(O)cc3sc(=O)oc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N15 compound treatment 0.255 0.0115 0.57 0.253 0.00874 0.48 0.741 0.9964 2068990 IFLab1_006285 COc1ccccc1Nc2nc3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N16 compound treatment 0.253 0.00952 0.47 0.257 0.0127 0.7 0.8263 0.9814 2068991 IFLab1_006286 COC(=O)c1ccccc1NC(=O)c2ccc(o2)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N17 compound treatment 0.264 0.0205 1.01 0.276 0.0317 1.74 1.947 0.9668 2068992 IFLab1_006287 CN(CCc1ccccn1)S(=O)(=O)c2ccc3NC(=O)c4cccc2c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N18 compound treatment 0.245 0.00152 0.07 0.249 0.00474 0.26 0.2368 0.8752 2068993 IFLab1_006288 CC1=CS/C(=C(/C#N)\C(=O)NCc2ccco2)/N1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N19 compound treatment 0.254 0.0105 0.52 0.265 0.0207 1.14 1.1714 0.9369 2068994 IFLab1_006289 OC(COc1ccccc1)CN2CCN(Cc3ccc(Cl)cc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N20 compound treatment 0.247 0.00352 0.17 0.25 0.00574 0.31 0.3454 0.9607 2068995 IFLab1_006290 CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N21 compound treatment 0.252 0.00852 0.42 0.254 0.00974 0.53 0.6751 0.993 2068996 IFLab1_006291 O=C(ON1C(=O)c2cccc3cccc(C1=O)c23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N22 compound treatment 0.252 0.00852 0.42 0.245 7.42E-4 0.04 0.3261 0.7719 2068997 IFLab1_006292 CCc1cc(C(=O)OC)c(NC(=O)CC2Sc3ccccc3NC2=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N23 mock treatment 0.247 0.00352 0.17 0.247 0.00274 0.15 0.2291 0.9974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 N24 mock treatment 0.241 -0.00248 -0.12 0.245 7.42E-4 0.04 -0.058 -0.4486 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O01 compound treatment 0.226 -0.0175 -0.86 0.214 -0.0303 -1.66 -1.7836 -0.9537 1128682 IFLab1_006293 CC(C)(C)NC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O02 compound treatment 0.247 0.00352 0.17 0.241 -0.00326 -0.18 -0.0035 -0.0142 2068998 IFLab1_006294 CCn1c(nc2ccccc12)C3CN(C(=O)C3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O03 compound treatment 0.241 -0.00248 -0.12 0.243 -0.00126 -0.07 -0.1355 -0.9629 1195801 IFLab1_006295 COc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O04 compound treatment 0.244 5.16E-4 0.03 0.246 0.00174 0.1 0.0856 0.8655 2068999 IFLab1_006296 COC(=O)Cn1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O05 compound treatment 0.344 0.101 4.96 0.337 0.0927 5.09 7.1055 0.9999 2069000 IFLab1_006297 COc1ccc(cc1)c2csc(n2)C(=C(SC)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O06 compound treatment 0.251 0.00752 0.37 0.257 0.0127 0.7 0.7565 0.9562 2069001 IFLab1_006298 Cc1ccc(s1)S(=O)(=O)N2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O07 compound treatment 0.245 0.00152 0.07 0.251 0.00674 0.37 0.3143 0.8334 2069002 IFLab1_006299 Fc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccc(cc3)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O08 compound treatment 0.259 0.0155 0.77 0.251 0.00674 0.37 0.8032 0.9441 2069003 IFLab1_006300 CN(C)N/C(=N\S(=O)(=O)c1ccc(C)cc1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O09 compound treatment 0.245 0.00152 0.07 0.247 0.00274 0.15 0.1592 0.9482 2069004 IFLab1_006301 O=C(N1CCCCC1)c2cn(nc2c3ccncc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O10 compound treatment 0.242 -0.00148 -0.07 0.248 0.00374 0.21 0.0933 0.4281 1019444 IFLab1_006302 C[n+]1noc(O)c1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O11 compound treatment 0.241 -0.00248 -0.12 0.248 0.00374 0.21 0.0583 0.2441 2069005 IFLab1_006303 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O12 compound treatment 0.255 0.0115 0.57 0.248 0.00374 0.21 0.5472 0.9051 2069006 IFLab1_006304 Cc1ccccc1NC(=O)CSC2=C(C#N)C(C3=C(CC(C)(C)CC3=O)N2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O13 compound treatment 0.256 0.0125 0.62 0.254 0.00974 0.53 0.8147 0.9974 2069007 IFLab1_006305 COc1ccc(cc1)n2nnnc2c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O14 compound treatment 0.256 0.0125 0.62 0.257 0.0127 0.7 0.931 0.9981 2069008 IFLab1_006306 COc1ccc(cc1Cl)C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O15 compound treatment 0.248 0.00452 0.22 0.247 0.00274 0.15 0.264 0.9816 2069009 IFLab1_006307 CC(C)C(=O)NCCCc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O16 compound treatment 0.322 0.0785 3.88 0.348 0.104 5.69 6.7637 0.9825 2069010 IFLab1_006308 O/N=C\1/C=C(CN2CCCCC2)C(=O)c3ncccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O17 compound treatment 0.246 0.00252 0.12 0.245 7.42E-4 0.04 0.1166 0.892 2069011 IFLab1_006309 COCc1nc2ccccc2n1CCOc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O18 compound treatment 0.253 0.00952 0.47 0.252 0.00774 0.42 0.6324 0.9987 2069012 IFLab1_006310 CN(C)C(CC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O19 compound treatment 0.241 -0.00248 -0.12 0.247 0.00274 0.15 0.0196 0.1009 2069013 IFLab1_006311 CCN1C(=O)/C(=C/2\C(=O)Nc3ccccc23)/SC1=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O20 compound treatment 0.251 0.00752 0.37 0.251 0.00674 0.37 0.5238 1.0 2069014 IFLab1_006312 COc1ccc(cc1)N/2C(=O)CS\C2=N\S(=O)(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O21 compound treatment 0.237 -0.00648 -0.32 0.24 -0.00426 -0.23 -0.3915 -0.988 2069015 IFLab1_006313 FC(F)(F)c1nc2ccccc2n1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O22 compound treatment 0.248 0.00452 0.22 0.252 0.00774 0.42 0.4579 0.9548 2069016 IFLab1_006314 Cc1sc2c(c1C)c(=O)nc3scc(CC(=O)NCCO)n32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O23 mock treatment 0.248 0.00452 0.22 0.248 0.00374 0.21 0.3028 0.9991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 O24 mock treatment 0.214 -0.0295 -1.46 0.24 -0.00426 -0.23 -1.1946 -0.8101 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P01 compound treatment 0.198 -0.0455 -2.25 0.222 -0.0223 -1.22 -2.4512 -0.9589 2069017 IFLab1_006315 Cc1c(cnn1c2ccccc2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P02 compound treatment 0.212 -0.0315 -1.55 0.241 -0.00326 -0.18 -1.2257 -0.7832 2069018 IFLab1_006316 FC(F)(F)c1cccc(NC2=NC(=O)/C(=C\c3cccs3)/S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P03 compound treatment 0.254 0.0105 0.52 0.248 0.00374 0.21 0.5123 0.9175 2069019 IFLab1_006317 NS(=O)(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P04 compound treatment 0.233 -0.0105 -0.52 0.239 -0.00526 -0.29 -0.5699 -0.9618 2069020 IFLab1_006318 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3F)/NC2=O)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P05 compound treatment 0.236 -0.00748 -0.37 0.246 0.00174 0.1 -0.1938 -0.5077 2069021 IFLab1_006319 Fc1ccc(cc1)c2cnnn2c3ccc(cc3)C(=O)COC(=O)c4ccccc4F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P06 compound treatment 0.243 -4.84E-4 -0.02 0.236 -0.00826 -0.45 -0.3371 -0.7434 2069022 IFLab1_006320 COc1ccccc1Cn2c(=O)oc3ccc(C)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P07 compound treatment 0.246 0.00252 0.12 0.243 -0.00126 -0.07 0.0391 0.275 1785239 IFLab1_006321 OC(=O)Cc1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P08 compound treatment 0.232 -0.0115 -0.57 0.243 -0.00126 -0.07 -0.4498 -0.7873 2069023 IFLab1_006322 OC(=O)c1ccc(OC(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P09 compound treatment 0.233 -0.0105 -0.52 0.246 0.00174 0.1 -0.2985 -0.5671 1327154 IFLab1_006323 Cc1ccc(cc1)S(=O)(=O)Nc2c(c3ccccc3)c4cc(C)ccc4[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P10 compound treatment 0.238 -0.00548 -0.27 0.242 -0.00226 -0.12 -0.279 -0.9371 1134203 IFLab1_006324 CCOC(=O)CC(=O)Nc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P11 compound treatment 0.239 -0.00448 -0.22 0.243 -0.00126 -0.07 -0.2053 -0.8854 2069024 IFLab1_006325 CCC(C)Cn1c(CO)nc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P12 compound treatment 0.228 -0.0155 -0.76 0.232 -0.0123 -0.67 -1.0159 -0.9979 2069025 IFLab1_006326 Cc1ccnc(SCc2nc3ccc(Cl)cn3c2Br)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P13 compound treatment 0.236 -0.00748 -0.37 0.244 -2.58E-4 -0.01 -0.2713 -0.7336 2069026 IFLab1_006327 CC(=O)NCCc1nc2ccccc2n1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P14 compound treatment 0.238 -0.00548 -0.27 0.248 0.00374 0.21 -0.0464 -0.1366 2069027 IFLab1_006328 CCOc1ccc(cc1)c2cc(O)cc3sc(=O)oc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P15 compound treatment 0.255 0.0115 0.57 0.25 0.00574 0.31 0.6247 0.9611 2069028 IFLab1_006329 CN(C)CCNc1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P16 compound treatment 0.249 0.00552 0.27 0.247 0.00274 0.15 0.2989 0.9608 2069029 IFLab1_006330 Clc1cccc(c1)c2ccc(o2)C(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P17 compound treatment 0.243 -4.84E-4 -0.02 0.246 0.00174 0.1 0.0506 0.5144 2069030 IFLab1_006331 Cc1cc(ccc1F)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P18 compound treatment 0.251 0.00752 0.37 0.235 -0.00926 -0.51 -0.0965 -0.1534 2069031 IFLab1_006332 CC1=CS/C(=C(/C#N)\C(=O)N2CCOCC2)/N1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P19 compound treatment 0.242 -0.00148 -0.07 0.247 0.00274 0.15 0.0545 0.3258 2069032 IFLab1_006333 Cc1cc(C)nc(SCC(=O)CSc2nc(C)cc(C)n2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P20 compound treatment 0.239 -0.00448 -0.22 0.231 -0.0133 -0.73 -0.6706 -0.8825 2069033 IFLab1_006334 CC(NC(=O)CC1Sc2ccccc2NC1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P21 compound treatment 0.237 -0.00648 -0.32 0.246 0.00174 0.1 -0.1589 -0.4755 2069034 IFLab1_006335 OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P22 compound treatment 0.24 -0.00348 -0.17 0.234 -0.0103 -0.56 -0.5194 -0.883 2069035 IFLab1_006336 CC(C)N1C(=O)CC(Nc2ccc(cc2)N3CCOCC3)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P23 mock treatment 0.238 -0.00548 -0.27 0.235 -0.00926 -0.51 -0.5504 -0.9567 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1429 P24 mock treatment 0.22 -0.0235 -1.16 0.208 -0.0363 -1.99 -2.2258 -0.9671 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A01 compound treatment 0.191 -0.0627 -3.1 0.188 -0.0626 -3.43 -4.6167 -0.9987 2069036 IFLab1_006337 O=C1CC(Nc2ccc(cc2)N3CCOCC3)C(=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A02 compound treatment 0.219 -0.0347 -1.71 0.209 -0.0416 -2.28 -2.8248 -0.99 1986286 IFLab1_006338 COCCN1C(c2c(oc3ccccc3c2=O)C1=O)c4cccc(O)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A03 compound treatment 0.229 -0.0247 -1.22 0.22 -0.0306 -1.68 -2.0492 -0.9876 2069037 IFLab1_006339 Cc1cccc(c1C)n2c(SCC(=O)O)nnc2c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A04 compound treatment 0.227 -0.0267 -1.32 0.221 -0.0296 -1.62 -2.0802 -0.9946 2069038 IFLab1_006340 COCCN1C(c2c(oc3ccc(F)cc3c2=O)C1=O)c4cccc(OCC=C)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A05 compound treatment 0.231 -0.0227 -1.12 0.208 -0.0426 -2.34 -2.4446 -0.9432 2069039 IFLab1_006341 O=S(=O)(N1CCCC1)c2cccc(c2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A06 compound treatment 0.222 -0.0317 -1.56 0.231 -0.0196 -1.08 -1.8671 -0.9834 2069040 IFLab1_006342 Cc1c(oc2ccc(C)cc12)C(=O)N(Cc3ccccc3)C4CCS(=O)(=O)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A07 compound treatment 0.234 -0.0197 -0.97 0.237 -0.0136 -0.75 -1.2155 -0.9916 2069041 IFLab1_006343 CC(C)c1ccc(cc1)S(=O)(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A08 compound treatment 0.241 -0.0127 -0.63 0.233 -0.0176 -0.97 -1.1262 -0.9779 2069042 IFLab1_006344 CC1SC(C)C(=O)N(CC(=O)Nc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A09 compound treatment 0.322 0.0683 3.37 0.319 0.0684 3.75 5.0365 0.9986 2069043 IFLab1_006345 Oc1ccc2cc(c(=O)oc2c1)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A10 compound treatment 0.24 -0.0137 -0.68 0.238 -0.0126 -0.69 -0.9672 -0.9999 2069044 IFLab1_006346 CCC1SC(CC)C(=O)N(CC(=O)NCCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A11 compound treatment 0.236 -0.0177 -0.87 0.221 -0.0296 -1.62 -1.766 -0.9576 1346298 IFLab1_006347 Cn1c(=NC(=O)c2ccc(cc2)N3C(=O)CCC3=O)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A12 compound treatment 0.229 -0.0247 -1.22 0.25 -6.3E-4 -0.03 -0.8861 -0.7269 2069045 IFLab1_006348 CC1SCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A13 compound treatment 0.225 -0.0287 -1.42 0.237 -0.0136 -0.75 -1.5298 -0.9554 2069046 IFLab1_006349 Cn1c(SCc2nc3ccccc3s2)nnc1c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A14 compound treatment 0.256 0.00232 0.11 0.231 -0.0196 -1.08 -0.6799 -0.6282 2069047 IFLab1_006350 CCSC1=NCCN1S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A15 compound treatment 0.23 -0.0237 -1.17 0.232 -0.0186 -1.02 -1.549 -0.9977 2069048 IFLab1_006351 CCCOc1ccc(cc1)c2cc(c(C#N)c(SCC(=O)O)n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A16 compound treatment 0.243 -0.0107 -0.53 0.242 -0.00863 -0.47 -0.7074 -0.9985 2069049 IFLab1_006352 CCS(=O)(=O)N1CCN=C1SC(C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A17 compound treatment 0.239 -0.0147 -0.72 0.227 -0.0236 -1.3 -1.4286 -0.9623 2069050 IFLab1_006353 CC(Oc1ccccc1F)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A18 compound treatment 0.229 -0.0247 -1.22 0.234 -0.0166 -0.91 -1.5064 -0.9898 2069051 IFLab1_006354 CS(=O)(=O)N1CCN=C1SCc2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A19 compound treatment 0.238 -0.0157 -0.77 0.235 -0.0156 -0.86 -1.1534 -0.9987 2069052 IFLab1_006355 Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A20 compound treatment 0.232 -0.0217 -1.07 0.229 -0.0216 -1.19 -1.5955 -0.9987 2069053 IFLab1_006356 CC1CC(C)CN(C1)C(c2sc3ncnn3c2O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A21 compound treatment 0.24 -0.0137 -0.68 0.218 -0.0326 -1.79 -1.7426 -0.9113 2069054 IFLab1_006357 CCOc1cccc(c1)C2N(Cc3ccccc3)C(=O)C(=C2C(=O)c4ccc(C)o4)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A22 compound treatment 0.222 -0.0317 -1.56 0.22 -0.0306 -1.68 -2.2936 -0.9994 2069055 IFLab1_006358 CC(C)Sc1nnc(CSc2ncccn2)n1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A23 mock treatment 0.231 -0.0227 -1.12 0.196 -0.0546 -3.0 -2.9098 -0.9099 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 A24 mock treatment 0.223 -0.0307 -1.51 0.187 -0.0636 -3.49 -3.5381 -0.9302 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B01 compound treatment 0.215 -0.0387 -1.91 0.2 -0.0506 -2.78 -3.3134 -0.9833 2069056 IFLab1_006359 COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc34)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B02 mock treatment 0.247 -0.00668 -0.33 0.251 3.7E-4 0.02 -0.2188 -0.6623 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B03 compound treatment 0.255 0.00132 0.07 0.255 0.00437 0.24 0.2157 0.8683 2069057 IFLab1_006360 Cn1cccc1Cc2nnc(SCC(=O)NC3CCCC3)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B04 mock treatment 0.25 -0.00368 -0.18 0.254 0.00337 0.18 0.0023 0.0088 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B05 compound treatment 0.293 0.0393 1.94 0.29 0.0394 2.16 2.8995 0.9986 2069058 IFLab1_006361 NNc1nc2c3CCCCc3ccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B06 mock treatment 0.251 -0.00268 -0.13 0.25 -6.3E-4 -0.03 -0.1179 -0.863 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B07 compound treatment 0.255 0.00132 0.07 0.253 0.00237 0.13 0.1381 0.9495 1060996 IFLab1_006362 COc1ccc2nc(Cl)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B08 mock treatment 0.26 0.00632 0.31 0.259 0.00837 0.46 0.5453 0.9824 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B09 mock treatment 0.256 0.00232 0.11 0.258 0.00737 0.4 0.3669 0.8734 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B10 mock treatment 0.254 3.24E-4 0.02 0.252 0.00137 0.08 0.0644 0.8389 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B11 mock treatment 0.255 0.00132 0.07 0.252 0.00137 0.08 0.0993 0.9976 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B12 mock treatment 0.255 0.00132 0.07 0.251 3.7E-4 0.02 0.0606 0.8849 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B13 mock treatment 0.257 0.00332 0.16 0.263 0.0124 0.68 0.5957 0.8536 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B14 mock treatment 0.261 0.00732 0.36 0.252 0.00137 0.08 0.3088 0.8361 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B15 mock treatment 0.256 0.00232 0.11 0.249 -0.00163 -0.09 0.0179 0.1234 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B16 mock treatment 0.257 0.00332 0.16 0.259 0.00837 0.46 0.4406 0.9039 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B17 mock treatment 0.264 0.0103 0.51 0.263 0.0124 0.68 0.8401 0.9901 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B18 mock treatment 0.251 -0.00268 -0.13 0.251 3.7E-4 0.02 -0.0791 -0.5916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B19 mock treatment 0.258 0.00432 0.21 0.251 3.7E-4 0.02 0.1653 0.7708 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B20 mock treatment 0.252 -0.00168 -0.08 0.25 -6.3E-4 -0.03 -0.083 -0.9249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B21 mock treatment 0.258 0.00432 0.21 0.251 3.7E-4 0.02 0.1653 0.7708 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B22 mock treatment 0.248 -0.00568 -0.28 0.25 -6.3E-4 -0.03 -0.2226 -0.7883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B23 mock treatment 0.251 -0.00268 -0.13 0.249 -0.00163 -0.09 -0.1566 -0.9819 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 B24 mock treatment 0.276 0.0223 1.1 0.238 -0.0126 -0.69 0.2898 0.2226 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C01 compound treatment 0.232 -0.0217 -1.07 0.213 -0.0376 -2.06 -2.2158 -0.9533 2069059 IFLab1_006363 CCc1cc(C(=O)OC)c(s1)N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C02 compound treatment 0.239 -0.0147 -0.72 0.239 -0.0116 -0.64 -0.9634 -0.998 2069060 IFLab1_006364 COCCN1C(c2c(oc3cc(C)c(C)cc3c2=O)C1=O)c4ccccc4F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C03 compound treatment 0.241 -0.0127 -0.63 0.241 -0.00963 -0.53 -0.816 -0.9964 2069061 IFLab1_006365 CSc1nnc(c2cccs2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C04 compound treatment 0.24 -0.0137 -0.68 0.233 -0.0176 -0.97 -1.1611 -0.9846 2069062 IFLab1_006366 COCCN1C(c2c(oc3ccc(F)cc3c2=O)C1=O)c4ccc(OCC=C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C05 compound treatment 0.239 -0.0147 -0.72 0.242 -0.00863 -0.47 -0.8471 -0.9787 1558055 IFLab1_006367 CC(=O)N1CC(=O)Nc2ccc(F)cc2C1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C06 compound treatment 0.256 0.00232 0.11 0.257 0.00637 0.35 0.3281 0.8925 2069063 IFLab1_006368 COC(=O)c1ccc2O/C(=C/c3ccccc3O)/C(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C07 compound treatment 0.24 -0.0137 -0.68 0.24 -0.0106 -0.58 -0.8897 -0.9973 2069064 IFLab1_006369 O=C(NC1CCCCC1)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C08 compound treatment 0.249 -0.00468 -0.23 0.249 -0.00163 -0.09 -0.2265 -0.9147 2069065 IFLab1_006370 CC1SC(C)C(=O)N(CC(=O)NC2CCCCC2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C09 compound treatment 0.24 -0.0137 -0.68 0.242 -0.00863 -0.47 -0.8121 -0.9849 2069066 IFLab1_006371 Cc1ccc(CCNC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C10 compound treatment 0.24 -0.0137 -0.68 0.239 -0.0116 -0.64 -0.9284 -0.9996 2069067 IFLab1_006372 CC1SCC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C11 compound treatment 0.264 0.0103 0.51 0.242 -0.00863 -0.47 0.0259 0.0372 1627112 IFLab1_006373 CCOc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCCC3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C12 compound treatment 0.248 -0.00568 -0.28 0.243 -0.00763 -0.42 -0.494 -0.981 2069068 IFLab1_006374 CC1SCC(=O)N(CC(=O)NCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C13 compound treatment 0.242 -0.0117 -0.58 0.244 -0.00663 -0.36 -0.6648 -0.9753 2069069 IFLab1_006375 OC(=O)CSc1nnc(c2cccs2)n1c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C14 compound treatment 0.241 -0.0127 -0.63 0.24 -0.0106 -0.58 -0.8548 -0.9994 2069070 IFLab1_006376 CCSC1=NCCN1S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C15 compound treatment 0.3 0.0463 2.29 0.324 0.0734 4.02 4.4621 0.9642 2069071 IFLab1_006377 O=S(=O)(/C(=C\C1=Cc2ccccc2OC1)/C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C16 compound treatment 0.248 -0.00568 -0.28 0.247 -0.00363 -0.2 -0.3389 -0.9859 2069072 IFLab1_006378 CC(SC1=NCCN1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C17 compound treatment 0.266 0.0123 0.61 0.268 0.0174 0.95 1.1038 0.9766 2069073 IFLab1_006379 COC(=O)c1nc(oc1Nc2ccc(C)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C18 compound treatment 0.248 -0.00568 -0.28 0.244 -0.00663 -0.36 -0.4552 -0.9917 2069074 IFLab1_006380 CCS(=O)(=O)N1CCN=C1SCc2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C19 compound treatment 0.242 -0.0117 -0.58 0.241 -0.00963 -0.53 -0.7811 -0.999 2069075 IFLab1_006381 COCCN1C(C(=C(O)C1=O)C(=O)c2ccc3OC(C)Cc3c2)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C20 compound treatment 0.242 -0.0117 -0.58 0.24 -0.0106 -0.58 -0.8198 -1.0 2069076 IFLab1_006382 CC1CN(CC(C)O1)C(c2sc3ncnn3c2O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C21 compound treatment 0.243 -0.0107 -0.53 0.239 -0.0116 -0.64 -0.8237 -0.9955 2069077 IFLab1_006383 COC(=O)Nc1sc(nc1c2cccs2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C22 compound treatment 0.237 -0.0167 -0.82 0.237 -0.0136 -0.75 -1.1107 -0.9988 2069078 IFLab1_006384 CSc1nnc(CSc2ncccn2)n1c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C23 mock treatment 0.265 0.0113 0.56 0.239 -0.0116 -0.64 -0.0555 -0.0654 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 C24 mock treatment 0.256 0.00232 0.11 0.222 -0.0286 -1.57 -1.0289 -0.6537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D01 compound treatment 0.247 -0.00668 -0.33 0.239 -0.0116 -0.64 -0.684 -0.9529 2069079 IFLab1_006385 COc1cccc2c(=O)n(CC(=O)N)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D02 mock treatment 0.25 -0.00368 -0.18 0.248 -0.00263 -0.14 -0.2303 -0.9935 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D03 compound treatment 0.25 -0.00368 -0.18 0.249 -0.00163 -0.09 -0.1916 -0.9467 2069080 IFLab1_006386 Cn1cccc1Cc2nnc(SCC(=O)NCc3ccccc3)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D04 mock treatment 0.25 -0.00368 -0.18 0.247 -0.00363 -0.2 -0.2691 -0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D05 compound treatment 0.267 0.0133 0.66 0.267 0.0164 0.9 1.0999 0.9883 2069081 IFLab1_006387 Cc1cccc2sc(NN)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D06 mock treatment 0.249 -0.00468 -0.23 0.248 -0.00263 -0.14 -0.2652 -0.9743 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D07 compound treatment 0.259 0.00532 0.26 0.257 0.00637 0.35 0.4329 0.9902 1688617 IFLab1_006388 COc1cccc2sc(N)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D08 mock treatment 0.259 0.00532 0.26 0.254 0.00337 0.18 0.3166 0.9851 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D09 mock treatment 0.252 -0.00168 -0.08 0.252 0.00137 0.08 -0.0054 -0.0484 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D10 mock treatment 0.25 -0.00368 -0.18 0.247 -0.00363 -0.2 -0.2691 -0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D11 mock treatment 0.255 0.00132 0.07 0.255 0.00437 0.24 0.2157 0.8683 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D12 mock treatment 0.253 -6.76E-4 -0.03 0.249 -0.00163 -0.09 -0.0868 -0.9098 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D13 mock treatment 0.251 -0.00268 -0.13 0.261 0.0104 0.57 0.3086 0.5287 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D14 mock treatment 0.252 -0.00168 -0.08 0.248 -0.00263 -0.14 -0.1605 -0.9653 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D15 mock treatment 0.252 -0.00168 -0.08 0.25 -6.3E-4 -0.03 -0.083 -0.9249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D16 mock treatment 0.257 0.00332 0.16 0.256 0.00537 0.29 0.3243 0.9619 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D17 mock treatment 0.262 0.00832 0.41 0.263 0.0124 0.68 0.7702 0.9712 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D18 mock treatment 0.255 0.00132 0.07 0.253 0.00237 0.13 0.1381 0.9495 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D19 mock treatment 0.252 -0.00168 -0.08 0.252 0.00137 0.08 -0.0054 -0.0484 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D20 mock treatment 0.248 -0.00568 -0.28 0.25 -6.3E-4 -0.03 -0.2226 -0.7883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D21 mock treatment 0.253 -6.76E-4 -0.03 0.247 -0.00363 -0.2 -0.1643 -0.8143 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D22 mock treatment 0.25 -0.00368 -0.18 0.246 -0.00463 -0.25 -0.3079 -0.9865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D23 mock treatment 0.269 0.0153 0.76 0.247 -0.00363 -0.2 0.3943 0.504 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 D24 mock treatment 0.245 -0.00868 -0.43 0.24 -0.0106 -0.58 -0.7151 -0.9885 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E01 compound treatment 0.234 -0.0197 -0.97 0.216 -0.0346 -1.9 -2.0297 -0.9516 2069082 IFLab1_006389 COC(=O)c1c(sc2CC(CCc12)C(C)(C)C)N3C(=O)C=CC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E02 compound treatment 0.255 0.00132 0.07 0.251 3.7E-4 0.02 0.0606 0.8849 2069083 IFLab1_006390 COCCN1C(c2c(oc3ccc(Br)cc3c2=O)C1=O)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E03 compound treatment 0.253 -6.76E-4 -0.03 0.254 0.00337 0.18 0.107 0.5701 2069084 IFLab1_006391 Cc1ccc2cccc(c2n1)S(=O)(=O)Nc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E04 compound treatment 0.254 3.24E-4 0.02 0.257 0.00637 0.35 0.2583 0.7387 2069085 IFLab1_006392 COc1ccc(cc1F)C(=O)C2=C(O)C(=O)N(CCCO)C2c3cccc(Br)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E05 compound treatment 0.256 0.00232 0.11 0.258 0.00737 0.4 0.3669 0.8734 2069086 IFLab1_006393 Cc1ccc2NC(=O)CN=C(c3ccc(F)cc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E06 compound treatment 0.303 0.0493 2.44 0.313 0.0624 3.42 4.1404 0.9862 2069087 IFLab1_006394 Fc1ccccc1C(=O)Nc2c(oc3ccccc23)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E07 compound treatment 0.26 0.00632 0.31 0.264 0.0134 0.73 0.7392 0.9277 2069088 IFLab1_006395 Fc1cccc(Cn2c(=O)c3ccccc3n4nncc24)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E08 compound treatment 0.261 0.00732 0.36 0.264 0.0134 0.73 0.7741 0.947 2069089 IFLab1_006396 CC1SC(C)C(=O)N(CC(=O)NCc2ccco2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E09 compound treatment 0.264 0.0103 0.51 0.255 0.00437 0.24 0.5299 0.9407 2069090 IFLab1_006397 Cc1ccc(C)c(NC2=NC3CS(=O)(=O)CC3S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E10 compound treatment 0.257 0.00332 0.16 0.254 0.00337 0.18 0.2467 0.9983 2069091 IFLab1_006398 CC1SCC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E11 compound treatment 0.264 0.0103 0.51 0.254 0.00337 0.18 0.4911 0.9057 1700163 IFLab1_006399 CCOc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E12 compound treatment 0.256 0.00232 0.11 0.255 0.00437 0.24 0.2506 0.9432 2069092 IFLab1_006400 CC1SCC(=O)N(CC(=O)NCCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E13 compound treatment 0.265 0.0113 0.56 0.267 0.0164 0.9 1.0301 0.9741 2069093 IFLab1_006401 Cc1ccc(cc1S(=O)(=O)N2CCCC2)c3nc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E14 compound treatment 0.253 -6.76E-4 -0.03 0.255 0.00437 0.24 0.1458 0.6027 2069094 IFLab1_006402 CCSC1=NCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E15 compound treatment 0.291 0.0373 1.84 0.288 0.0374 2.05 2.7521 0.9986 2069095 IFLab1_006403 CC1Oc2ccccc2C=C1/C=C(\C#N)/c3nc(=O)c4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E16 compound treatment 0.253 -6.76E-4 -0.03 0.249 -0.00163 -0.09 -0.0868 -0.9098 2069096 IFLab1_006404 CC(SC1=NCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E17 compound treatment 0.265 0.0113 0.56 0.264 0.0134 0.73 0.9138 0.9911 2069097 IFLab1_006405 O=C(Nc1c(nc2ncccn12)c3cccs3)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E18 compound treatment 0.257 0.00332 0.16 0.256 0.00537 0.29 0.3243 0.9619 2069098 IFLab1_006406 CS(=O)(=O)N1CCN=C1SCc2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E19 compound treatment 0.247 -0.00668 -0.33 0.245 -0.00563 -0.31 -0.4514 -0.9995 2069099 IFLab1_006407 Clc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c3ccc(Cl)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E20 compound treatment 0.255 0.00132 0.07 0.254 0.00337 0.18 0.1769 0.9025 2069100 IFLab1_006408 CCN1CCN(CC1)C(c2sc3ncnn3c2O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E21 compound treatment 0.287 0.0333 1.65 0.267 0.0164 0.9 1.7983 0.9594 2069101 IFLab1_006409 Clc1ccc(OCC(=O)N(Cc2cccs2)C3CCS(=O)(=O)C3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E22 compound treatment 0.247 -0.00668 -0.33 0.248 -0.00263 -0.14 -0.3351 -0.9312 2069102 IFLab1_006410 CCSc1nnc(CSc2ncccn2)n1c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E23 mock treatment 0.257 0.00332 0.16 0.25 -6.3E-4 -0.03 0.0916 0.5463 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 E24 mock treatment 0.244 -0.00968 -0.48 0.243 -0.00763 -0.42 -0.6337 -0.9978 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F01 compound treatment 0.251 -0.00268 -0.13 0.244 -0.00663 -0.36 -0.3505 -0.9061 2069103 IFLab1_006411 COc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F02 mock treatment 0.253 -6.76E-4 -0.03 0.252 0.00137 0.08 0.0295 0.3589 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F03 compound treatment 0.273 0.0193 0.95 0.267 0.0164 0.9 1.3094 0.9995 2069104 IFLab1_006412 Cc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F04 mock treatment 0.257 0.00332 0.16 0.254 0.00337 0.18 0.2467 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F05 compound treatment 0.275 0.0213 1.05 0.276 0.0254 1.39 1.7282 0.9906 2069105 IFLab1_006413 CCc1cccc2sc(NN)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F06 mock treatment 0.263 0.00932 0.46 0.255 0.00437 0.24 0.495 0.9537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F07 compound treatment 0.259 0.00532 0.26 0.261 0.0104 0.57 0.5879 0.9386 1430771 IFLab1_006414 CCOc1cccc2sc(N)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F08 mock treatment 0.263 0.00932 0.46 0.265 0.0144 0.79 0.8827 0.9673 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F09 mock treatment 0.263 0.00932 0.46 0.255 0.00437 0.24 0.495 0.9537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F10 mock treatment 0.255 0.00132 0.07 0.258 0.00737 0.4 0.332 0.811 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F11 mock treatment 0.258 0.00432 0.21 0.256 0.00537 0.29 0.3592 0.9875 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F12 mock treatment 0.257 0.00332 0.16 0.257 0.00637 0.35 0.363 0.9407 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F13 mock treatment 0.268 0.0143 0.71 0.267 0.0164 0.9 1.1348 0.993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F14 mock treatment 0.265 0.0113 0.56 0.258 0.00737 0.4 0.6811 0.9873 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F15 mock treatment 0.259 0.00532 0.26 0.259 0.00837 0.46 0.5104 0.965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F16 mock treatment 0.263 0.00932 0.46 0.258 0.00737 0.4 0.6113 0.9979 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F17 mock treatment 0.268 0.0143 0.71 0.265 0.0144 0.79 1.0573 0.9986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F18 mock treatment 0.265 0.0113 0.56 0.256 0.00537 0.29 0.6036 0.9551 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F19 mock treatment 0.26 0.00632 0.31 0.262 0.0114 0.62 0.6616 0.9489 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F20 mock treatment 0.255 0.00132 0.07 0.256 0.00537 0.29 0.2544 0.8436 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F21 mock treatment 0.257 0.00332 0.16 0.256 0.00537 0.29 0.3243 0.9619 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F22 mock treatment 0.256 0.00232 0.11 0.254 0.00337 0.18 0.2118 0.9737 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F23 mock treatment 0.25 -0.00368 -0.18 0.254 0.00337 0.18 0.0023 0.0088 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 F24 mock treatment 0.253 -6.76E-4 -0.03 0.248 -0.00263 -0.14 -0.1256 -0.8484 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G01 compound treatment 0.232 -0.0217 -1.07 0.236 -0.0146 -0.8 -1.3241 -0.9899 2069106 IFLab1_006415 CCOC(=O)c1c(sc2CC(C)CCc12)N3C(=O)C=CC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G02 compound treatment 0.279 0.0253 1.25 0.274 0.0234 1.28 1.7903 0.9999 2069107 IFLab1_006416 CCOc1cccc(c1)C2N(CCCN(C)C)C(=O)c3oc4cc(C)c(C)cc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G03 compound treatment 0.259 0.00532 0.26 0.256 0.00537 0.29 0.3941 0.9984 2069108 IFLab1_006417 CSc1nnc(COc2cccc3ccc(C)nc23)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G04 compound treatment 0.255 0.00132 0.07 0.252 0.00137 0.08 0.0993 0.9976 2069109 IFLab1_006418 COC(=O)c1ccc2O/C(=C\c3ccccc3F)/C(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G05 compound treatment 0.296 0.0423 2.09 0.29 0.0394 2.16 3.0043 0.9999 2069110 IFLab1_006419 Cc1nc(N)sc1c2nnc(Nc3ccccc3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G06 compound treatment 0.282 0.0283 1.4 0.282 0.0314 1.72 2.2052 0.9947 2069111 IFLab1_006420 CC(C)c1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G07 compound treatment 0.269 0.0153 0.76 0.255 0.00437 0.24 0.7045 0.8876 2069112 IFLab1_006421 Fc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c4cc(F)ccc24)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G08 compound treatment 0.263 0.00932 0.46 0.264 0.0134 0.73 0.8439 0.9749 2069113 IFLab1_006422 CC1SC(C)C(=O)N(CC(=O)NCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G09 compound treatment 0.26 0.00632 0.31 0.25 -6.3E-4 -0.03 0.1964 0.6251 2069114 IFLab1_006423 CSc1cccc(NC2=NC3CS(=O)(=O)CC3S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G10 compound treatment 0.247 -0.00668 -0.33 0.244 -0.00663 -0.36 -0.4902 -0.9988 2069115 IFLab1_006424 CCCCc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G11 compound treatment 0.251 -0.00268 -0.13 0.252 0.00137 0.08 -0.0403 -0.2653 1788580 IFLab1_006425 CCOc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G12 compound treatment 0.264 0.0103 0.51 0.258 0.00737 0.4 0.6462 0.9934 2069116 IFLab1_006426 CSC1=NCCN1S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G13 compound treatment 0.271 0.0173 0.86 0.274 0.0234 1.28 1.511 0.9807 2069117 IFLab1_006427 Fc1cccc(c1)C2CC(=O)n3c(S2)nc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G14 compound treatment 0.25 -0.00368 -0.18 0.252 0.00137 0.08 -0.0752 -0.383 2069118 IFLab1_006428 CCCS(=O)(=O)N1CCN=C1SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G15 compound treatment 0.253 -6.76E-4 -0.03 0.259 0.00837 0.46 0.3009 0.6539 2069119 IFLab1_006429 Clc1cccc(C=c2sc3nc(nn3c2=O)c4cccs4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G16 compound treatment 0.249 -0.00468 -0.23 0.25 -6.3E-4 -0.03 -0.1877 -0.8039 2069120 IFLab1_006430 CCS(=O)(=O)N1CCN=C1SCc2ccccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G17 compound treatment 0.298 0.0443 2.19 0.302 0.0514 2.82 3.5393 0.9922 1537635 IFLab1_006431 CCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G18 compound treatment 0.278 0.0243 1.2 0.263 0.0124 0.68 1.3289 0.9634 2069121 IFLab1_006432 CS(=O)(=O)N1CCN=C1SCc2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G19 compound treatment 0.241 -0.0127 -0.63 0.248 -0.00263 -0.14 -0.5446 -0.8478 2069122 IFLab1_006433 CC(Oc1ccc(F)cc1)C(=O)N(Cc2ccccc2Cl)C3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G20 compound treatment 0.251 -0.00268 -0.13 0.254 0.00337 0.18 0.0372 0.1638 2069123 IFLab1_006434 Oc1c(sc2ncnn12)C(N3CCOCC3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G21 compound treatment 0.253 -6.76E-4 -0.03 0.25 -6.3E-4 -0.03 -0.048 -0.9999 2069124 IFLab1_006435 COc1ccccc1C(=O)N(Cc2cccs2)C3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G22 compound treatment 0.255 0.00132 0.07 0.25 -6.3E-4 -0.03 0.0218 0.2948 2069125 IFLab1_006436 CCOc1ccc(cc1)n2c(CSc3nc(C)cc(C)n3)nnc2SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G23 mock treatment 0.248 -0.00568 -0.28 0.244 -0.00663 -0.36 -0.4552 -0.9917 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 G24 mock treatment 0.247 -0.00668 -0.33 0.247 -0.00363 -0.2 -0.3739 -0.9708 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H01 compound treatment 0.247 -0.00668 -0.33 0.242 -0.00863 -0.47 -0.5677 -0.9844 2069126 IFLab1_006437 COc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H02 mock treatment 0.252 -0.00168 -0.08 0.248 -0.00263 -0.14 -0.1605 -0.9653 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H03 compound treatment 0.28 0.0263 1.3 0.266 0.0154 0.84 1.5151 0.978 2069127 IFLab1_006438 COc1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H04 mock treatment 0.248 -0.00568 -0.28 0.254 0.00337 0.18 -0.0675 -0.2012 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H05 compound treatment 0.282 0.0283 1.4 0.277 0.0264 1.45 2.0114 0.9999 2069128 IFLab1_006439 COc1cccc2sc(NN)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H06 mock treatment 0.256 0.00232 0.11 0.25 -6.3E-4 -0.03 0.0567 0.4733 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H07 compound treatment 0.266 0.0123 0.61 0.255 0.00437 0.24 0.5997 0.917 2069129 IFLab1_006440 NC(C(=O)O)C1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H08 mock treatment 0.263 0.00932 0.46 0.253 0.00237 0.13 0.4175 0.8726 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H09 mock treatment 0.264 0.0103 0.51 0.257 0.00637 0.35 0.6075 0.983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H10 mock treatment 0.255 0.00132 0.07 0.249 -0.00163 -0.09 -0.017 -0.1533 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H11 mock treatment 0.261 0.00732 0.36 0.254 0.00337 0.18 0.3864 0.9514 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H12 mock treatment 0.253 -6.76E-4 -0.03 0.254 0.00337 0.18 0.107 0.5701 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H13 mock treatment 0.26 0.00632 0.31 0.256 0.00537 0.29 0.429 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H14 mock treatment 0.251 -0.00268 -0.13 0.254 0.00337 0.18 0.0372 0.1638 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H15 mock treatment 0.26 0.00632 0.31 0.251 3.7E-4 0.02 0.2352 0.7515 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H16 mock treatment 0.255 0.00132 0.07 0.254 0.00337 0.18 0.1769 0.9025 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H17 mock treatment 0.265 0.0113 0.56 0.264 0.0134 0.73 0.9138 0.9911 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H18 mock treatment 0.252 -0.00168 -0.08 0.248 -0.00263 -0.14 -0.1605 -0.9653 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H19 mock treatment 0.258 0.00432 0.21 0.26 0.00937 0.51 0.5143 0.9243 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H20 mock treatment 0.248 -0.00568 -0.28 0.25 -6.3E-4 -0.03 -0.2226 -0.7883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H21 mock treatment 0.253 -6.76E-4 -0.03 0.253 0.00237 0.13 0.0683 0.5089 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H22 mock treatment 0.248 -0.00568 -0.28 0.252 0.00137 0.08 -0.1451 -0.5 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H23 mock treatment 0.257 0.00332 0.16 0.249 -0.00163 -0.09 0.0529 0.2829 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 H24 mock treatment 0.247 -0.00668 -0.33 0.254 0.00337 0.18 -0.1025 -0.2711 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I01 compound treatment 0.249 -0.00468 -0.23 0.247 -0.00363 -0.2 -0.304 -0.9973 2069130 IFLab1_006441 CCOC(=O)c1cc(C)sc1N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I02 compound treatment 0.258 0.00432 0.21 0.252 0.00137 0.08 0.2041 0.9017 2069131 IFLab1_006442 OCCN1C(c2c(oc3ccccc3c2=O)C1=O)c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I03 compound treatment 0.255 0.00132 0.07 0.255 0.00437 0.24 0.2157 0.8683 2069132 IFLab1_006443 Cn1c(SCc2nc3ccccc3s2)nnc1c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I04 compound treatment 0.255 0.00132 0.07 0.253 0.00237 0.13 0.1381 0.9495 2069133 IFLab1_006444 COc1ccc(cc1)C2N(CCCO)C(=O)c3oc4ccccc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I05 compound treatment 0.261 0.00732 0.36 0.259 0.00837 0.46 0.5802 0.993 2069134 IFLab1_006445 COc1ccc(cc1OC)C2=Nc3ccccc3S(=O)(=O)N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I06 compound treatment 0.262 0.00832 0.41 0.256 0.00537 0.29 0.4988 0.9866 2069135 IFLab1_006446 CC(C)C(=O)Nc1c(oc2ccccc12)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I07 compound treatment 0.263 0.00932 0.46 0.253 0.00237 0.13 0.4175 0.8726 1206686 IFLab1_006447 O=c1oc2ccccc2cc1S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I08 compound treatment 0.262 0.00832 0.41 0.262 0.0114 0.62 0.7315 0.9796 2069136 IFLab1_006448 CC1SC(C)C(=O)N(CC(=O)NCCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I09 compound treatment 0.267 0.0133 0.66 0.268 0.0174 0.95 1.1387 0.9837 2069137 IFLab1_006449 Cc1cc(C)cc(NC2=NC3CS(=O)(=O)CC3S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I10 compound treatment 0.261 0.00732 0.36 0.258 0.00737 0.4 0.5415 0.9985 2069138 IFLab1_006450 CC1SCC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I11 compound treatment 0.302 0.0483 2.39 0.299 0.0484 2.65 3.5627 0.9986 1218671 IFLab1_006451 CC1CCc2[nH]c(=NC(=O)c3ccc(F)c(F)c3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I12 compound treatment 0.263 0.00932 0.46 0.258 0.00737 0.4 0.6113 0.9979 2069139 IFLab1_006452 CSC1=NCCN1S(=O)(=O)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I13 compound treatment 0.265 0.0113 0.56 0.253 0.00237 0.13 0.4873 0.8488 2069140 IFLab1_006453 Cc1ccc(cc1S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)c4ccccc4F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I14 compound treatment 0.258 0.00432 0.21 0.255 0.00437 0.24 0.3204 0.9983 2069141 IFLab1_006454 CS(=O)(=O)N1CCN=C1SCc2cccc(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I15 compound treatment 0.3 0.0463 2.29 0.289 0.0384 2.1 3.1052 0.9991 1657893 IFLab1_006455 Cc1ccc(o1)C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c4cccc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I16 compound treatment 0.287 0.0333 1.65 0.291 0.0404 2.21 2.7288 0.9893 2069142 IFLab1_006456 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN=C2SCc3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I17 compound treatment 0.292 0.0383 1.89 0.317 0.0664 3.64 3.9114 0.9536 2069143 IFLab1_006457 CCCOc1ccc(cc1C)c2cc(n[nH]2)C(=O)NO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I18 compound treatment 0.263 0.00932 0.46 0.26 0.00937 0.51 0.6888 0.9985 2069144 IFLab1_006458 CCS(=O)(=O)N1CCN=C1SCc2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I19 compound treatment 0.263 0.00932 0.46 0.252 0.00137 0.08 0.3787 0.8117 2069145 IFLab1_006459 Clc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c3cc4ccccc4oc3=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I20 compound treatment 0.262 0.00832 0.41 0.26 0.00937 0.51 0.6539 0.9939 2069146 IFLab1_006460 CCSc1nnc(CSc2ncccn2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I21 compound treatment 0.261 0.00732 0.36 0.258 0.00737 0.4 0.5415 0.9985 2069147 IFLab1_006461 COCCN1C(c2c(oc3ccccc3c2=O)C1=O)c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I22 compound treatment 0.267 0.0133 0.66 0.254 0.00337 0.18 0.5959 0.872 2069148 IFLab1_006462 CSc1nnc(CSc2nc(C)cc(C)n2)n1c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I23 mock treatment 0.257 0.00332 0.16 0.254 0.00337 0.18 0.2467 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 I24 mock treatment 0.249 -0.00468 -0.23 0.261 0.0104 0.57 0.2388 0.3891 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J01 compound treatment 0.249 -0.00468 -0.23 0.265 0.0144 0.79 0.3938 0.4797 2069149 IFLab1_006463 COc1cccc2c(=O)n(CC(=O)NCc3ccccc3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J02 mock treatment 0.251 -0.00268 -0.13 0.239 -0.0116 -0.64 -0.5443 -0.8359 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J03 compound treatment 0.272 0.0183 0.9 0.282 0.0314 1.72 1.8561 0.955 2069150 IFLab1_006464 Fc1ccc(COn2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J04 mock treatment 0.255 0.00132 0.07 0.249 -0.00163 -0.09 -0.017 -0.1533 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J05 compound treatment 0.302 0.0483 2.39 0.294 0.0434 2.38 3.3688 1.0 2069151 IFLab1_006465 CCOc1ccc2nc(NN)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J06 mock treatment 0.257 0.00332 0.16 0.251 3.7E-4 0.02 0.1304 0.7885 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J07 compound treatment 0.249 -0.00468 -0.23 0.249 -0.00163 -0.09 -0.2265 -0.9147 1081539 IFLab1_006466 NCC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J08 mock treatment 0.263 0.00932 0.46 0.255 0.00437 0.24 0.495 0.9537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J09 mock treatment 0.258 0.00432 0.21 0.254 0.00337 0.18 0.2816 0.9974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J10 mock treatment 0.252 -0.00168 -0.08 0.249 -0.00163 -0.09 -0.1217 -0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J11 mock treatment 0.254 3.24E-4 0.02 0.252 0.00137 0.08 0.0644 0.8389 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J12 mock treatment 0.257 0.00332 0.16 0.25 -6.3E-4 -0.03 0.0916 0.5463 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J13 mock treatment 0.258 0.00432 0.21 0.25 -6.3E-4 -0.03 0.1266 0.5851 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J14 mock treatment 0.255 0.00132 0.07 0.248 -0.00263 -0.14 -0.0557 -0.3521 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J15 mock treatment 0.251 -0.00268 -0.13 0.251 3.7E-4 0.02 -0.0791 -0.5916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J16 mock treatment 0.259 0.00532 0.26 0.25 -6.3E-4 -0.03 0.1615 0.609 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J17 mock treatment 0.267 0.0133 0.66 0.26 0.00937 0.51 0.8285 0.9925 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J18 mock treatment 0.254 3.24E-4 0.02 0.25 -6.3E-4 -0.03 -0.0131 -0.3446 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J19 mock treatment 0.261 0.00732 0.36 0.258 0.00737 0.4 0.5415 0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J20 mock treatment 0.258 0.00432 0.21 0.257 0.00637 0.35 0.3979 0.9721 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J21 mock treatment 0.256 0.00232 0.11 0.252 0.00137 0.08 0.1343 0.9789 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J22 mock treatment 0.253 -6.76E-4 -0.03 0.25 -6.3E-4 -0.03 -0.048 -0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J23 mock treatment 0.248 -0.00568 -0.28 0.248 -0.00263 -0.14 -0.3002 -0.9523 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 J24 mock treatment 0.246 -0.00768 -0.38 0.253 0.00237 0.13 -0.1762 -0.4396 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K01 compound treatment 0.247 -0.00668 -0.33 0.239 -0.0116 -0.64 -0.684 -0.9529 2069152 IFLab1_006467 O=C(N1CCN(CC1)c2ccccc2)c3cccc(c3)S(=O)(=O)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K02 compound treatment 0.265 0.0113 0.56 0.253 0.00237 0.13 0.4873 0.8488 2069153 IFLab1_006468 COc1cccc(c1)C2N(CCO)C(=O)c3oc4ccccc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K03 compound treatment 0.258 0.00432 0.21 0.25 -6.3E-4 -0.03 0.1266 0.5851 2069154 IFLab1_006469 CSc1nnc(NC(=O)/C=C/c2cccc(F)c2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K04 compound treatment 0.258 0.00432 0.21 0.254 0.00337 0.18 0.2816 0.9974 2069155 IFLab1_006470 COc1ccc(cc1)C2N(CC=C)C(=O)c3oc4ccccc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K05 compound treatment 0.262 0.00832 0.41 0.249 -0.00163 -0.09 0.2275 0.5407 2069156 IFLab1_006471 COc1ccc(cc1OC)c2nnn(c2N)c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K06 compound treatment 0.259 0.00532 0.26 0.257 0.00637 0.35 0.4329 0.9902 2069157 IFLab1_006472 O=C(CN1C(=O)CSCC1=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K07 compound treatment 0.255 0.00132 0.07 0.246 -0.00463 -0.25 -0.1333 -0.5084 2069158 IFLab1_006473 COc1ccc2cc(c(=O)oc2c1)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K08 compound treatment 0.262 0.00832 0.41 0.257 0.00637 0.35 0.5376 0.9967 2069159 IFLab1_006474 CCC1SC(CC)C(=O)N(CC(=O)Nc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K09 compound treatment 0.255 0.00132 0.07 0.25 -6.3E-4 -0.03 0.0218 0.2948 2069160 IFLab1_006475 Clc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K10 compound treatment 0.261 0.00732 0.36 0.257 0.00637 0.35 0.5027 0.9998 2069161 IFLab1_006476 COc1ccccc1NC(=O)CN2C(=O)CSC(C)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K11 compound treatment 0.298 0.0443 2.19 0.291 0.0404 2.21 3.1129 1.0 2069162 IFLab1_006477 NS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K12 compound treatment 0.264 0.0103 0.51 0.256 0.00537 0.29 0.5687 0.966 2069163 IFLab1_006478 COc1ccc(cc1)S(=O)(=O)N2CCN=C2SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K13 compound treatment 0.262 0.00832 0.41 0.251 3.7E-4 0.02 0.305 0.7411 2069164 IFLab1_006479 COc1ccc(cc1OC)c2nnc(SCC(=O)c3ccccc3)n2CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K14 compound treatment 0.259 0.00532 0.26 0.256 0.00537 0.29 0.3941 0.9984 2069165 IFLab1_006480 CCS(=O)(=O)N1CCN=C1SCc2cccc(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K15 compound treatment 0.274 0.0203 1.0 0.283 0.0324 1.77 1.9647 0.9636 2069166 IFLab1_006481 CCOc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2C(=O)NCc4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K16 compound treatment 0.262 0.00832 0.41 0.255 0.00437 0.24 0.4601 0.967 2069167 IFLab1_006482 CCS(=O)(=O)N1CCN=C1SCc2cccc(C)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K17 compound treatment 0.267 0.0133 0.66 0.265 0.0144 0.79 1.0224 0.996 2069168 IFLab1_006483 CC(=O)Oc1cccc(C=c2sc3nc(nn3c2=O)c4ccc(F)cc4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K18 compound treatment 0.249 -0.00468 -0.23 0.252 0.00137 0.08 -0.1102 -0.4537 2069169 IFLab1_006484 CS(=O)(=O)N1CCN=C1SCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K19 compound treatment 0.258 0.00432 0.21 0.255 0.00437 0.24 0.3204 0.9983 2069170 IFLab1_006485 CC1Cc2cc(ccc2O1)C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K20 compound treatment 0.259 0.00532 0.26 0.254 0.00337 0.18 0.3166 0.9851 2069171 IFLab1_006486 CSc1nnc(CSc2ncccn2)n1CCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K21 compound treatment 0.254 3.24E-4 0.02 0.252 0.00137 0.08 0.0644 0.8389 2069172 IFLab1_006487 COc1ccc(cc1)C2N(CCCOC(C)C)C(=O)c3oc4ccccc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K22 compound treatment 0.262 0.00832 0.41 0.256 0.00537 0.29 0.4988 0.9866 2069173 IFLab1_006488 COc1cccc2c(=O)n(CC(=O)N3CCCC3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K23 mock treatment 0.252 -0.00168 -0.08 0.252 0.00137 0.08 -0.0054 -0.0484 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 K24 mock treatment 0.249 -0.00468 -0.23 0.254 0.00337 0.18 -0.0326 -0.1103 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L01 compound treatment 0.254 3.24E-4 0.02 0.232 -0.0186 -1.02 -0.711 -0.696 2069174 IFLab1_006489 Cn1cccc1Cc2nnc(SCC(=O)N3CCCc4ccccc34)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L02 mock treatment 0.257 0.00332 0.16 0.252 0.00137 0.08 0.1692 0.9372 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L03 compound treatment 0.267 0.0133 0.66 0.262 0.0114 0.62 0.9061 0.9996 2069175 IFLab1_006490 Cc1[nH]c2ccccc2c1CCNCc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L04 mock treatment 0.254 3.24E-4 0.02 0.252 0.00137 0.08 0.0644 0.8389 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L05 compound treatment 0.295 0.0413 2.04 0.292 0.0414 2.27 3.0469 0.9986 2069176 IFLab1_006491 NNc1nc2c(Cl)cc(Cl)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L06 mock treatment 0.264 0.0103 0.51 0.253 0.00237 0.13 0.4524 0.8598 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L07 compound treatment 0.267 0.0133 0.66 0.261 0.0104 0.57 0.8673 0.9974 2069177 IFLab1_006492 NC(=O)c1oc2ccccc2c1NC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L08 mock treatment 0.261 0.00732 0.36 0.255 0.00437 0.24 0.4252 0.98 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L09 mock treatment 0.261 0.00732 0.36 0.255 0.00437 0.24 0.4252 0.98 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L10 mock treatment 0.26 0.00632 0.31 0.251 3.7E-4 0.02 0.2352 0.7515 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L11 mock treatment 0.263 0.00932 0.46 0.256 0.00537 0.29 0.5338 0.9767 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L12 mock treatment 0.254 3.24E-4 0.02 0.253 0.00237 0.13 0.1032 0.7882 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L13 mock treatment 0.261 0.00732 0.36 0.38 0.129 7.09 5.2715 0.7422 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L14 mock treatment 0.256 0.00232 0.11 0.251 3.7E-4 0.02 0.0955 0.8194 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L15 mock treatment 0.257 0.00332 0.16 0.258 0.00737 0.4 0.4018 0.9212 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L16 mock treatment 0.264 0.0103 0.51 0.253 0.00237 0.13 0.4524 0.8598 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L17 mock treatment 0.267 0.0133 0.66 0.265 0.0144 0.79 1.0224 0.996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L18 mock treatment 0.256 0.00232 0.11 0.254 0.00337 0.18 0.2118 0.9737 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L19 mock treatment 0.265 0.0113 0.56 0.261 0.0104 0.57 0.7975 1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L20 mock treatment 0.257 0.00332 0.16 0.256 0.00537 0.29 0.3243 0.9619 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L21 mock treatment 0.261 0.00732 0.36 0.255 0.00437 0.24 0.4252 0.98 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L22 mock treatment 0.256 0.00232 0.11 0.253 0.00237 0.13 0.173 0.9981 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L23 mock treatment 0.256 0.00232 0.11 0.255 0.00437 0.24 0.2506 0.9432 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 L24 mock treatment 0.249 -0.00468 -0.23 0.244 -0.00663 -0.36 -0.4203 -0.976 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M01 compound treatment 0.242 -0.0117 -0.58 0.227 -0.0236 -1.3 -1.3239 -0.9335 2069178 IFLab1_006493 Cc1ccc(cc1S(=O)(=O)NCc2ccco2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M02 compound treatment 0.255 0.00132 0.07 0.251 3.7E-4 0.02 0.0606 0.8849 2069179 IFLab1_006494 Brc1ccc(cc1)C(=O)N(Cc2ccco2)C3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M03 compound treatment 0.253 -6.76E-4 -0.03 0.247 -0.00363 -0.2 -0.1643 -0.8143 2069180 IFLab1_006495 NC(=O)CSc1nnc(c2cccs2)n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M04 compound treatment 0.264 0.0103 0.51 0.254 0.00337 0.18 0.4911 0.9057 2069181 IFLab1_006496 COc1cc(ccc1O)C2N(CC=C)C(=O)c3oc4ccccc4c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M05 compound treatment 0.28 0.0263 1.3 0.269 0.0184 1.01 1.6314 0.992 2069182 IFLab1_006497 Nc1c(nnn1c2ccccc2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M06 compound treatment 0.278 0.0243 1.2 0.249 -0.00163 -0.09 0.7861 0.6527 2069183 IFLab1_006498 Fc1ccc(CNC(=O)CN2C(=O)CSCC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M07 compound treatment 0.259 0.00532 0.26 0.252 0.00137 0.08 0.239 0.8742 2069184 IFLab1_006499 Cc1ccc(cc1C)S(=O)(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M08 compound treatment 0.258 0.00432 0.21 0.259 0.00837 0.46 0.4755 0.9394 2069185 IFLab1_006500 CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M09 compound treatment 0.276 0.0223 1.1 0.264 0.0134 0.73 1.2979 0.9804 2069186 IFLab1_006501 O=C(NCc1ccccc1)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M10 compound treatment 0.253 -6.76E-4 -0.03 0.252 0.00137 0.08 0.0295 0.3589 2069187 IFLab1_006502 CCOc1ccccc1NC(=O)CN2C(=O)CSC(C)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M11 compound treatment 0.255 0.00132 0.07 0.25 -6.3E-4 -0.03 0.0218 0.2948 2069188 IFLab1_006503 OC(COc1ccccc1Cl)CN2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M12 compound treatment 0.26 0.00632 0.31 0.258 0.00737 0.4 0.5066 0.9919 2069189 IFLab1_006504 CSC1=NCCN1S(=O)(=O)c2ccc(NC(=O)C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M13 compound treatment 0.263 0.00932 0.46 0.251 3.7E-4 0.02 0.3399 0.7375 2069190 IFLab1_006505 COc1ccc(cc1)n2c(SC)nnc2c3ccc(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M14 compound treatment 0.26 0.00632 0.31 0.249 -0.00163 -0.09 0.1576 0.4852 2069191 IFLab1_006506 Fc1ccc(CSC2=NCCN2S(=O)(=O)c3ccc(F)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M15 compound treatment 0.276 0.0223 1.1 0.268 0.0174 0.95 1.4529 0.9973 2069192 IFLab1_006507 Cc1ccc(cc1)C(=O)Nc2sc(CC#N)nc2c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M16 compound treatment 0.266 0.0123 0.61 0.25 -6.3E-4 -0.03 0.4059 0.6659 2069193 IFLab1_006508 CCS(=O)(=O)N1CCN=C1SCc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M17 compound treatment 0.264 0.0103 0.51 0.257 0.00637 0.35 0.6075 0.983 2069194 IFLab1_006509 CCc1ccc(cc1)C2N(CCOC)C(=O)C(=C2C(=O)c3ccc4OC(C)Cc4c3)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M18 compound treatment 0.258 0.00432 0.21 0.252 0.00137 0.08 0.2041 0.9017 2069195 IFLab1_006510 CCS(=O)(=O)N1CCN=C1SCc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M19 compound treatment 0.259 0.00532 0.26 0.255 0.00437 0.24 0.3553 0.9989 2069196 IFLab1_006511 O=c1c(=Cc2ccccc2)sc3nc(nn13)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M20 compound treatment 0.253 -6.76E-4 -0.03 0.253 0.00237 0.13 0.0683 0.5089 2069197 IFLab1_006512 CCSc1nnc(CSc2ncccn2)n1CCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M21 compound treatment 0.255 0.00132 0.07 0.247 -0.00363 -0.2 -0.0945 -0.4511 2069198 IFLab1_006513 Cc1ccc(C)c(c1)C(=O)C2=C(O)C(=O)N(CCc3ccccc3)C2c4ccc(O)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M22 compound treatment 0.256 0.00232 0.11 0.254 0.00337 0.18 0.2118 0.9737 2069199 IFLab1_006514 COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M23 mock treatment 0.245 -0.00868 -0.43 0.249 -0.00163 -0.09 -0.3662 -0.8366 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 M24 mock treatment 0.26 0.00632 0.31 0.253 0.00237 0.13 0.3127 0.9245 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N01 compound treatment 0.221 -0.0327 -1.61 0.243 -0.00763 -0.42 -1.4368 -0.8619 2069200 IFLab1_006515 Cn1cccc1Cc2nnc(SCC(=O)N)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N02 mock treatment 0.244 -0.00968 -0.48 0.248 -0.00263 -0.14 -0.4398 -0.8813 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N03 compound treatment 0.247 -0.00668 -0.33 0.245 -0.00563 -0.31 -0.4514 -0.9995 2069201 IFLab1_006516 Cc1[nH]c2ccccc2c1CCNCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N04 mock treatment 0.249 -0.00468 -0.23 0.241 -0.00963 -0.53 -0.5366 -0.9312 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N05 compound treatment 0.332 0.0783 3.87 0.32 0.0694 3.8 5.4244 1.0 2069202 IFLab1_006517 NNc1nc2cc3OCOc3cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N06 mock treatment 0.255 0.00132 0.07 0.246 -0.00463 -0.25 -0.1333 -0.5084 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N07 compound treatment 0.261 0.00732 0.36 0.248 -0.00263 -0.14 0.1538 0.3949 1273015 IFLab1_006518 OC(=O)Cc1sc(NCC=C)nc1c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N08 mock treatment 0.256 0.00232 0.11 0.248 -0.00263 -0.14 -0.0208 -0.113 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N09 mock treatment 0.256 0.00232 0.11 0.246 -0.00463 -0.25 -0.0984 -0.3531 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N10 mock treatment 0.264 0.0103 0.51 0.245 -0.00563 -0.31 0.1422 0.2386 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N11 mock treatment 0.258 0.00432 0.21 0.245 -0.00563 -0.31 -0.0673 -0.1793 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N12 mock treatment 0.249 -0.00468 -0.23 0.249 -0.00163 -0.09 -0.2265 -0.9147 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N13 mock treatment 0.264 0.0103 0.51 0.254 0.00337 0.18 0.4911 0.9057 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N14 mock treatment 0.246 -0.00768 -0.38 0.246 -0.00463 -0.25 -0.4475 -0.981 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N15 mock treatment 0.252 -0.00168 -0.08 0.247 -0.00363 -0.2 -0.1993 -0.9244 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N16 mock treatment 0.257 0.00332 0.16 0.252 0.00137 0.08 0.1692 0.9372 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N17 mock treatment 0.258 0.00432 0.21 0.257 0.00637 0.35 0.3979 0.9721 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N18 mock treatment 0.246 -0.00768 -0.38 0.249 -0.00163 -0.09 -0.3312 -0.8505 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N19 mock treatment 0.252 -0.00168 -0.08 0.25 -6.3E-4 -0.03 -0.083 -0.9249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N20 mock treatment 0.252 -0.00168 -0.08 0.25 -6.3E-4 -0.03 -0.083 -0.9249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N21 mock treatment 0.255 0.00132 0.07 0.253 0.00237 0.13 0.1381 0.9495 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N22 mock treatment 0.247 -0.00668 -0.33 0.247 -0.00363 -0.2 -0.3739 -0.9708 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N23 mock treatment 0.249 -0.00468 -0.23 0.246 -0.00463 -0.25 -0.3428 -0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 N24 mock treatment 0.245 -0.00868 -0.43 0.255 0.00437 0.24 -0.1335 -0.272 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O01 compound treatment 0.248 -0.00568 -0.28 0.232 -0.0186 -1.02 -0.9205 -0.869 2069203 IFLab1_006519 N#CCSc1nnc(c2cccs2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O02 compound treatment 0.249 -0.00468 -0.23 0.243 -0.00763 -0.42 -0.4591 -0.9608 2069204 IFLab1_006520 C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O03 compound treatment 0.255 0.00132 0.07 0.241 -0.00963 -0.53 -0.3271 -0.6149 1236685 IFLab1_006521 O=C(Nc1nc(cs1)c2ccccc2)c3cccc(c3)S(=O)(=O)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O04 compound treatment 0.332 0.0783 3.87 0.335 0.0844 4.63 6.006 0.996 1224766 IFLab1_006522 Nc1c(oc2ccccc12)C(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O05 compound treatment 0.256 0.00232 0.11 0.251 3.7E-4 0.02 0.0955 0.8194 2069205 IFLab1_006523 Cc1cccc(Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O06 compound treatment 0.258 0.00432 0.21 0.25 -6.3E-4 -0.03 0.1266 0.5851 2069206 IFLab1_006524 Cc1cc(C)c(NC(=O)CN2C(=O)CSCC2=O)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O07 compound treatment 0.25 -0.00368 -0.18 0.245 -0.00563 -0.31 -0.3466 -0.968 2069207 IFLab1_006525 Clc1ccc(cc1)S(=O)(=O)c2cc3cc(Br)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O08 compound treatment 0.257 0.00332 0.16 0.244 -0.00663 -0.36 -0.141 -0.3535 2069208 IFLab1_006526 CCC1SC(CC)C(=O)N(CC(=O)NCc2ccccc2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O09 compound treatment 0.25 -0.00368 -0.18 0.249 -0.00163 -0.09 -0.1916 -0.9467 1360347 IFLab1_006527 O=C(N1CCc2ccccc12)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O10 compound treatment 0.245 -0.00868 -0.43 0.25 -6.3E-4 -0.03 -0.3274 -0.7617 2069209 IFLab1_006528 CCOc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O11 compound treatment 0.249 -0.00468 -0.23 0.247 -0.00363 -0.2 -0.304 -0.9973 2069210 IFLab1_006529 CCOC(=O)Cc1csc(=S)n1c2ccc(OC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O12 compound treatment 0.252 -0.00168 -0.08 0.253 0.00237 0.13 0.0334 0.2165 2069211 IFLab1_006530 CSC1=NCCN1S(=O)(=O)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O13 compound treatment 0.258 0.00432 0.21 0.249 -0.00163 -0.09 0.0878 0.3792 1870451 IFLab1_006531 CC(=O)OC1=C(C(N(C1=O)c2ccccn2)c3ccccc3)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O14 compound treatment 0.253 -6.76E-4 -0.03 0.25 -6.3E-4 -0.03 -0.048 -0.9999 2069212 IFLab1_006532 CC(SC1=NCCN1S(=O)(=O)C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O15 compound treatment 0.277 0.0233 1.15 0.267 0.0164 0.9 1.4491 0.9924 2069213 IFLab1_006533 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O16 compound treatment 0.269 0.0153 0.76 0.271 0.0204 1.12 1.3248 0.982 2069214 IFLab1_006534 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN=C2SCc3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O17 compound treatment 0.264 0.0103 0.51 0.27 0.0194 1.06 1.1115 0.9435 2069215 IFLab1_006535 CC(Oc1ccc(Cl)c(C)c1)C(=O)N(Cc2ccccc2Cl)C3CCS(=O)(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O18 compound treatment 0.253 -6.76E-4 -0.03 0.248 -0.00263 -0.14 -0.1256 -0.8484 2069216 IFLab1_006536 Oc1c(sc2ncnn12)C(N3CCCCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O19 compound treatment 0.249 -0.00468 -0.23 0.249 -0.00163 -0.09 -0.2265 -0.9147 2069217 IFLab1_006537 CC1(C)C(C=C(Cl)Cl)C1C(=O)Nc2nnc(SCC=C)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O20 compound treatment 0.251 -0.00268 -0.13 0.242 -0.00863 -0.47 -0.428 -0.8712 2069218 IFLab1_006538 CCCSc1nnc(CSc2ncccn2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O21 compound treatment 0.243 -0.0107 -0.53 0.253 0.00237 0.13 -0.2809 -0.5173 2069219 IFLab1_006539 COCCN1C(c2c(oc3ccccc3c2=O)C1=O)c4cccc(OC)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O22 compound treatment 0.252 -0.00168 -0.08 0.251 3.7E-4 0.02 -0.0442 -0.5185 2069220 IFLab1_006540 COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc34)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O23 mock treatment 0.256 0.00232 0.11 0.251 3.7E-4 0.02 0.0955 0.8194 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 O24 mock treatment 0.232 -0.0217 -1.07 0.229 -0.0216 -1.19 -1.5955 -0.9987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P01 compound treatment 0.214 -0.0397 -1.96 0.211 -0.0396 -2.17 -2.9219 -0.9987 2069221 IFLab1_006541 Cn1cccc1Cc2nnc(SCC(=O)Nc3ccccc3)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P02 mock treatment 0.239 -0.0147 -0.72 0.237 -0.0136 -0.75 -1.0409 -0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P03 compound treatment 0.254 3.24E-4 0.02 0.255 0.00437 0.24 0.1807 0.7526 2069222 IFLab1_006542 Cc1[nH]c2ccccc2c1CCNCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P04 mock treatment 0.244 -0.00968 -0.48 0.241 -0.00963 -0.53 -0.7112 -0.9988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P05 compound treatment 0.28 0.0263 1.3 0.268 0.0174 0.95 1.5926 0.9883 2069223 IFLab1_006543 NNc1nc2cc3OCCOc3cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P06 mock treatment 0.246 -0.00768 -0.38 0.24 -0.0106 -0.58 -0.6802 -0.9783 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P07 mock treatment 0.239 -0.0147 -0.72 0.231 -0.0196 -1.08 -1.2735 -0.9815 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P08 mock treatment 0.242 -0.0117 -0.58 0.244 -0.00663 -0.36 -0.6648 -0.9753 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P09 mock treatment 0.246 -0.00768 -0.38 0.243 -0.00763 -0.42 -0.5639 -0.9988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P10 mock treatment 0.244 -0.00968 -0.48 0.238 -0.0126 -0.69 -0.8275 -0.9836 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P11 mock treatment 0.236 -0.0177 -0.87 0.24 -0.0106 -0.58 -1.0293 -0.9807 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P12 mock treatment 0.238 -0.0157 -0.77 0.242 -0.00863 -0.47 -0.882 -0.9721 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P13 mock treatment 0.241 -0.0127 -0.63 0.243 -0.00763 -0.42 -0.7384 -0.9808 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P14 mock treatment 0.248 -0.00568 -0.28 0.225 -0.0256 -1.41 -1.1919 -0.8318 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P15 mock treatment 0.243 -0.0107 -0.53 0.24 -0.0106 -0.58 -0.7849 -0.9987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P16 mock treatment 0.253 -6.76E-4 -0.03 0.248 -0.00263 -0.14 -0.1256 -0.8484 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P17 mock treatment 0.25 -0.00368 -0.18 0.244 -0.00663 -0.36 -0.3854 -0.9485 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P18 mock treatment 0.239 -0.0147 -0.72 0.24 -0.0106 -0.58 -0.9246 -0.9942 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P19 mock treatment 0.25 -0.00368 -0.18 0.235 -0.0156 -0.86 -0.7343 -0.8383 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P20 mock treatment 0.233 -0.0207 -1.02 0.241 -0.00963 -0.53 -1.0953 -0.9529 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P21 mock treatment 0.248 -0.00568 -0.28 0.243 -0.00763 -0.42 -0.494 -0.981 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P22 mock treatment 0.241 -0.0127 -0.63 0.249 -0.00163 -0.09 -0.5058 -0.8 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P23 mock treatment 0.235 -0.0187 -0.92 0.24 -0.0106 -0.58 -1.0643 -0.9755 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1430 P24 mock treatment 0.204 -0.0497 -2.45 0.21 -0.0406 -2.23 -3.3098 -0.9988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A01 compound treatment 0.182 -0.0378 -1.87 0.178 -0.0684 -3.75 -3.973 -0.948 1023263 Maybridge3_000001 OC(=O)c1ccc(Br)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A02 compound treatment 0.19 -0.0298 -1.47 0.195 -0.0514 -2.82 -3.0346 -0.9539 2075164 Maybridge3_000002 CC(C)(C)OC(=O)NC1CCN(CC1)c2nccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A03 compound treatment 0.191 -0.0288 -1.42 0.199 -0.0474 -2.6 -2.8446 -0.9596 2075165 Maybridge3_000003 CC(C)(C)OC(=O)N1CCC(N)(CC1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A04 compound treatment 0.18 -0.0398 -1.96 0.213 -0.0334 -1.83 -2.6859 -0.9994 1125505 Maybridge3_000004 CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A05 compound treatment 0.191 -0.0288 -1.42 0.205 -0.0414 -2.27 -2.612 -0.9745 2075166 Maybridge3_000005 FC(F)(F)c1ccnc(SCC(=O)c2cccnc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A06 compound treatment 0.197 -0.0228 -1.12 0.203 -0.0434 -2.38 -2.48 -0.9413 1209791 Maybridge3_000006 CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A07 compound treatment 0.218 -0.00178 -0.09 0.217 -0.0294 -1.61 -1.2039 -0.7445 2075167 Maybridge3_000007 OC(COc1ccc(F)cc1)CN2CCN(CC2)c3nccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A08 compound treatment 0.208 -0.0118 -0.58 0.22 -0.0264 -1.45 -1.4368 -0.9195 2075168 Maybridge3_000008 Fc1cccc(Cl)c1CN2CCN(CCCNc3nccc(n3)C(F)(F)F)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A09 compound treatment 0.207 -0.0128 -0.63 0.214 -0.0324 -1.78 -1.7043 -0.9028 2075169 Maybridge3_000009 CC(=O)Nc1ccc(cc1)c2csc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A10 compound treatment 0.212 -0.00778 -0.38 0.211 -0.0354 -1.94 -1.6461 -0.8308 1620264 Maybridge3_000010 Cc1nc(nc(N2CCCN(Cc3ccc(F)cc3)CC2)c1Cl)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A11 compound treatment 0.21 -0.00978 -0.48 0.221 -0.0254 -1.4 -1.3282 -0.8995 2075170 Maybridge3_000011 Cc1nc(ccc1c2nnc(SCc3cc(F)cc(F)c3)o2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A12 compound treatment 0.249 0.0292 1.44 0.253 0.00655 0.36 1.2743 0.857 2075171 Maybridge3_000012 Clc1cccc(c1Cl)S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A13 compound treatment 0.234 0.0142 0.7 0.25 0.00355 0.19 0.6342 0.8704 1658739 Maybridge3_000013 OC(CNC1CCN(Cc2ccccc2)CC1)CSc3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A14 compound treatment 0.208 -0.0118 -0.58 0.221 -0.0254 -1.4 -1.398 -0.9248 2075172 Maybridge3_000014 Clc1ccc(OCC(=O)NC2=NCCS2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A15 compound treatment 0.207 -0.0128 -0.63 0.212 -0.0344 -1.89 -1.7819 -0.8948 1464531 Maybridge3_000015 CCOC(=O)c1cc(C#N)c(C)nc1N(CC)CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A16 compound treatment 0.204 -0.0158 -0.78 0.228 -0.0184 -1.01 -1.2663 -0.9917 2075173 Maybridge3_000016 COc1cc(/C=N/c2cc(C)ccc2NC(=O)C)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A17 compound treatment 0.23 0.0102 0.5 0.237 -0.00945 -0.52 -0.0095 -0.0131 2075174 Maybridge3_000017 FC(F)(F)c1ccnc(NCCNS(=O)(=O)c2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A18 compound treatment 0.201 -0.0188 -0.93 0.227 -0.0194 -1.07 -1.4098 -0.9976 1167525 Maybridge3_000018 OC(=O)CSC1(CCCCCC1)SCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A19 compound treatment 0.193 -0.0268 -1.32 0.209 -0.0374 -2.05 -2.387 -0.9774 2075175 Maybridge3_000019 Cc1oc(cc1C(=O)O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A20 compound treatment 0.186 -0.0338 -1.67 0.18 -0.0664 -3.64 -3.7558 -0.9373 1575563 Maybridge3_000020 Cc1nc2cc(Cl)ccc2c(=O)n1c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A21 compound treatment 0.186 -0.0338 -1.67 0.215 -0.0314 -1.72 -2.3988 -0.9999 2075176 Maybridge3_000021 Cc1nc(ccc1C(=O)NCc2ccccc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A22 compound treatment 0.206 -0.0138 -0.68 0.197 -0.0494 -2.71 -2.3983 -0.858 1510905 Maybridge3_000022 Clc1ccc(cc1)S(=O)(=O)N(CCc2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A23 mock treatment 0.187 -0.0328 -1.62 0.205 -0.0414 -2.27 -2.7516 -0.9862 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 A24 mock treatment 0.194 -0.0258 -1.27 0.181 -0.0654 -3.59 -3.4377 -0.9028 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B01 compound treatment 0.205 -0.0148 -0.73 0.222 -0.0244 -1.34 -1.464 -0.9592 2075177 Maybridge3_000023 Fc1cccc(NCc2ccc3OCOc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B02 compound treatment 0.236 0.0162 0.8 0.257 0.0106 0.58 0.9754 0.9873 2075178 Maybridge3_000024 Brc1ccc(cc1)C2=CSc3ccccc3N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B03 compound treatment 0.237 0.0172 0.85 0.255 0.00855 0.47 0.9328 0.9607 2075179 Maybridge3_000025 Cn1nc(CC#N)c(C#N)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B04 compound treatment 0.249 0.0292 1.44 0.262 0.0156 0.85 1.6232 0.9685 2075180 Maybridge3_000026 CCOc1ccccc1NC(=O)Oc2ccc(F)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B05 compound treatment 0.256 0.0362 1.79 0.269 0.0226 1.24 2.139 0.9838 2075181 Maybridge3_000027 COc1ccc(cc1)/C(=C/c2cccs2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B06 compound treatment 0.24 0.0202 1.0 0.251 0.00455 0.25 0.8825 0.8575 1568831 Maybridge3_000028 Fc1cccc2nc(oc(=O)c12)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B07 compound treatment 0.245 0.0252 1.25 0.253 0.00655 0.36 1.1346 0.8754 1718012 Maybridge3_000029 COc1cc2CCNC(c3ccccc3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B08 compound treatment 0.259 0.0392 1.94 0.261 0.0146 0.8 1.9336 0.9231 2075182 Maybridge3_000030 COc1ccc(/N=C\2/NC(C)(C)C(=C)S2)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B09 compound treatment 0.249 0.0292 1.44 0.252 0.00555 0.3 1.2355 0.8378 1314153 Maybridge3_000031 Nc1cccc(Cl)c1Oc2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B10 compound treatment 0.324 0.104 5.15 0.33 0.0836 4.58 6.8784 0.9983 2075183 Maybridge3_000032 COC(=O)/C=C/1\S/C(=N\c2cccc(SC)c2)/N(C1=O)c3cccc(SC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B11 compound treatment 0.234 0.0142 0.7 0.25 0.00355 0.19 0.6342 0.8704 1136610 Maybridge3_000033 O=C(Oc1ccccc1)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B12 compound treatment 0.245 0.0252 1.25 0.255 0.00855 0.47 1.2121 0.9109 2075184 Maybridge3_000034 CC(=O)Nc1cc2cc(NC(=O)C(F)(F)F)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B13 compound treatment 0.253 0.0332 1.64 0.256 0.00955 0.52 1.5303 0.8887 1365408 Maybridge3_000035 Cc1ccc2cccc(OC(=O)c3cccnc3Oc4ccccc4)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B14 compound treatment 0.24 0.0202 1.0 0.251 0.00455 0.25 0.8825 0.8575 2075185 Maybridge3_000036 FC(F)(F)C(=O)Nc1nnc(s1)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B15 compound treatment 0.272 0.0522 2.58 0.266 0.0196 1.07 2.5814 0.9244 2075186 Maybridge3_000037 CCOC(=O)C1=CNc2ccccc2N=C1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B16 compound treatment 0.233 0.0132 0.65 0.254 0.00755 0.41 0.7544 0.9759 1144609 Maybridge3_000038 Fc1ccc(NC(=O)Cc2ncon2)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B17 compound treatment 0.252 0.0322 1.59 0.261 0.0146 0.8 1.6892 0.9491 2075187 Maybridge3_000039 CCOC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B18 compound treatment 0.233 0.0132 0.65 0.252 0.00555 0.3 0.6768 0.9397 2075188 Maybridge3_000040 Cn1c(nc(=O)c2ccccc12)c3cc(Br)cs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B19 compound treatment 0.233 0.0132 0.65 0.254 0.00755 0.41 0.7544 0.9759 2075189 Maybridge3_000041 Fc1ccc(cc1Cl)C(=O)Nc2nnc(s2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B20 compound treatment 0.229 0.00922 0.46 0.252 0.00555 0.3 0.5371 0.9809 2075190 Maybridge3_000042 CC(C)(C)c1nnc(N/C=N/O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B21 compound treatment 0.247 0.0272 1.34 0.251 0.00455 0.25 1.1269 0.8243 2075191 Maybridge3_000043 C/C=C(\C)/c1nnc(NCC(C)(C)C)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B22 compound treatment 0.219 -7.81E-4 -0.04 0.249 0.00255 0.14 0.0717 0.4937 1193479 Maybridge3_000044 O=C(NCC1CC1)c2ccccc2NC(=O)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B23 mock treatment 0.225 0.00522 0.26 0.251 0.00455 0.25 0.3587 0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 B24 mock treatment 0.192 -0.0278 -1.37 0.22 -0.0264 -1.45 -1.9955 -0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C01 compound treatment 0.203 -0.0168 -0.83 0.212 -0.0344 -1.89 -1.9215 -0.9316 342762 Maybridge3_000045 COc1ccc2[nH]cc(CCN(C)C)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C02 compound treatment 0.223 0.00322 0.16 0.24 -0.00645 -0.35 -0.1376 -0.355 1121244 Maybridge3_000046 CCOC(=O)c1ccc(cc1)N2C(=O)CC3(CCCC3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C03 compound treatment 0.234 0.0142 0.7 0.243 -0.00345 -0.19 0.3628 0.4989 1252601 Maybridge3_000047 CCN(CC)S(=O)(=O)c1ccc(s1)c2csc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C04 compound treatment 0.236 0.0162 0.8 0.243 -0.00345 -0.19 0.4326 0.5257 2075192 Maybridge3_000048 FC(F)(F)c1ccnc(n1)N2CCC(CC2)NC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C05 compound treatment 0.23 0.0102 0.5 0.235 -0.0114 -0.63 -0.087 -0.1081 2075193 Maybridge3_000049 FC(F)(F)c1ccnc(SCC(=O)Nc2ccc(Br)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C06 compound treatment 0.231 0.0112 0.55 0.241 -0.00545 -0.3 0.1805 0.2868 1566490 Maybridge3_000050 CCN(CC)S(=O)(=O)c1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C07 compound treatment 0.227 0.00722 0.36 0.241 -0.00545 -0.3 0.0408 0.0878 1513220 Maybridge3_000051 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C08 compound treatment 0.241 0.0212 1.05 0.249 0.00255 0.14 0.8398 0.7945 1121829 Maybridge3_000052 CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C09 compound treatment 0.279 0.0592 2.92 0.263 0.0166 0.91 2.7095 0.8849 1309044 Maybridge3_000053 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)N3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C10 compound treatment 0.245 0.0252 1.25 0.25 0.00355 0.19 1.0183 0.8079 1606977 Maybridge3_000054 COc1cccc(CC(=O)Nc2ccc(cc2)c3csc(C)n3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C11 compound treatment 0.232 0.0122 0.6 0.241 -0.00545 -0.3 0.2154 0.32 2075194 Maybridge3_000055 Cc1nc(ccc1c2nnc(SCC=C)o2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C12 compound treatment 0.239 0.0192 0.95 0.246 -4.48E-4 -0.02 0.6537 0.6886 2075195 Maybridge3_000056 FC(F)(F)c1ccnc(n1)N2CCC(CC2)N3C(=O)CC4(CCCC4)C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C13 compound treatment 0.238 0.0182 0.9 0.24 -0.00645 -0.35 0.3862 0.3995 2075196 Maybridge3_000057 Cc1nc(ccc1C(=O)Oc2ccc3OCOc3c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C14 compound treatment 0.233 0.0132 0.65 0.24 -0.00645 -0.35 0.2116 0.285 2075197 Maybridge3_000058 O=C(Cc1ccccc1)NC2=NCCS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C15 compound treatment 0.226 0.00622 0.31 0.24 -0.00645 -0.35 -0.0329 -0.0702 2075198 Maybridge3_000059 Cc1nc(ccc1C(=O)NCCc2cccs2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C16 compound treatment 0.239 0.0192 0.95 0.249 0.00255 0.14 0.77 0.8027 2075199 Maybridge3_000060 CC(=O)Nc1ccc(C)cc1/N=C/c2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C17 compound treatment 0.24 0.0202 1.0 0.24 -0.00645 -0.35 0.456 0.4305 2075200 Maybridge3_000061 FC(F)(F)c1cccc(c1)C(=O)NCCNc2nccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C18 compound treatment 0.236 0.0162 0.8 0.245 -0.00145 -0.08 0.5102 0.6339 2075201 Maybridge3_000062 CS(=O)(=O)N1CCc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C19 compound treatment 0.231 0.0112 0.55 0.241 -0.00545 -0.3 0.1805 0.2868 1199320 Maybridge3_000063 CCCc1cnc(nc1)N2CCCN(CC2)S(=O)(=O)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C20 compound treatment 0.225 0.00522 0.26 0.242 -0.00445 -0.24 0.0098 0.0275 2075202 Maybridge3_000064 CCOC(=O)c1ccc(/N=C/c2ccccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C21 compound treatment 0.223 0.00322 0.16 0.231 -0.0154 -0.85 -0.4865 -0.5646 2075203 Maybridge3_000065 Cc1nc(ccc1C(=O)NCCNc2cccc(n2)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C22 compound treatment 0.228 0.00822 0.41 0.242 -0.00445 -0.24 0.1145 0.2419 2075204 Maybridge3_000066 C/C=C(\C)/C(=O)Nc1cc(C)ccc1n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C23 mock treatment 0.225 0.00522 0.26 0.236 -0.0104 -0.57 -0.2229 -0.3548 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 C24 mock treatment 0.199 -0.0208 -1.03 0.234 -0.0124 -0.68 -1.2083 -0.9804 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D01 compound treatment 0.233 0.0132 0.65 0.241 -0.00545 -0.3 0.2503 0.3487 1722143 Maybridge3_000067 C(Cc1ccccn1)c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D02 compound treatment 0.231 0.0112 0.55 0.248 0.00155 0.09 0.4519 0.8062 1604322 Maybridge3_000068 Fc1ccccc1C(=O)NCC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D03 compound treatment 0.262 0.0422 2.08 0.276 0.0296 1.62 2.6199 0.9922 2075205 Maybridge3_000069 Oc1c(Cl)cc(Cl)cc1/C=N/c2c(C#N)c(CC#N)nn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D04 compound treatment 0.253 0.0332 1.64 0.266 0.0196 1.07 1.918 0.9787 2075206 Maybridge3_000070 Fc1ccc(OC(=O)c2cc3ccccc3s2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D05 compound treatment 0.256 0.0362 1.79 0.255 0.00855 0.47 1.5962 0.8633 2075207 Maybridge3_000071 Cc1ccc(cc1)/C(=C/c2c(F)cccc2Cl)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D06 compound treatment 0.253 0.0332 1.64 0.257 0.0106 0.58 1.569 0.902 2075208 Maybridge3_000072 Fc1cccc2nc(oc(=O)c12)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D07 compound treatment 0.238 0.0182 0.9 0.253 0.00655 0.36 0.8902 0.9189 2075209 Maybridge3_000073 FC(F)(F)C(=O)Nc1ccc(Br)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D08 compound treatment 0.238 0.0182 0.9 0.254 0.00755 0.41 0.9289 0.938 2075210 Maybridge3_000074 CC(=O)Nc1ccc(F)cc1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D09 compound treatment 0.284 0.0642 3.17 0.282 0.0356 1.95 3.6207 0.9727 1718995 Maybridge3_000075 COc1ccc2cc(oc2c1)C(=O)c3ccc(Cl)c(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D10 compound treatment 0.227 0.00722 0.36 0.258 0.0116 0.63 0.6999 0.963 2075211 Maybridge3_000076 Cc1ncc(CSc2nccc(O)n2)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D11 compound treatment 0.243 0.0232 1.15 0.252 0.00555 0.3 1.026 0.8649 1104602 Maybridge3_000077 COC1(C)CNc2ccccc2C(=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D12 compound treatment 0.245 0.0252 1.25 0.262 0.0156 0.85 1.4835 0.9829 2075212 Maybridge3_000078 COC(=O)/C=C/1\S/C(=N\c2ccccn2)/N(C1=O)c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D13 compound treatment 0.246 0.0262 1.29 0.248 0.00155 0.09 0.9757 0.752 1064547 Maybridge3_000079 Cc1ccc(cc1)C(=O)CCN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D14 compound treatment 0.244 0.0242 1.2 0.251 0.00455 0.25 1.0221 0.8366 1517249 Maybridge3_000080 Fc1cccc(CSc2ncc3ccccn23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D15 compound treatment 0.244 0.0242 1.2 0.247 5.52E-4 0.03 0.8671 0.7248 1223097 Maybridge3_000081 Cn1sc(=O)c2ccc(cc12)S(=O)(=O)NCCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D16 compound treatment 0.255 0.0352 1.74 0.262 0.0156 0.85 1.8327 0.9462 1283484 Maybridge3_000082 O=c1c2cccnc2oc3ccc(cc13)n4cccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D17 compound treatment 0.249 0.0292 1.44 0.257 0.0106 0.58 1.4294 0.9195 2075213 Maybridge3_000083 Cc1onc(c1C(=O)NCCSC2=NCCN2)c3c(Cl)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D18 compound treatment 0.248 0.0282 1.39 0.257 0.0106 0.58 1.3944 0.9242 2075214 Maybridge3_000084 Brc1csc(c1)c2nc(=O)c3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D19 compound treatment 0.244 0.0242 1.2 0.248 0.00155 0.09 0.9058 0.7555 2075215 Maybridge3_000085 CC(=Cc1nc2cccc(F)c2c(=O)o1)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D20 compound treatment 0.237 0.0172 0.85 0.246 -4.48E-4 -0.02 0.5839 0.6864 1322517 Maybridge3_000086 Fc1ccc(NC(=O)Cc2nn[nH]n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D21 compound treatment 0.234 0.0142 0.7 0.25 0.00355 0.19 0.6342 0.8704 2075216 Maybridge3_000087 Cc1nnc(NCC(C)(C)C)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D22 compound treatment 0.242 0.0222 1.1 0.252 0.00555 0.3 0.9911 0.8704 2075217 Maybridge3_000088 CCCc1ccc(cc1)c2ccc(cc2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D23 mock treatment 0.229 0.00922 0.46 0.25 0.00355 0.19 0.4596 0.9282 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 D24 mock treatment 0.214 -0.00578 -0.29 0.247 5.52E-4 0.03 -0.1805 -0.6287 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E01 compound treatment 0.227 0.00722 0.36 0.248 0.00155 0.09 0.3122 0.8519 1050973 Maybridge3_000089 Cc1ccc2[nH]cc(CCN)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E02 compound treatment 0.246 0.0262 1.29 0.253 0.00655 0.36 1.1695 0.8704 2075218 Maybridge3_000090 Brc1ccc(cc1)N2C(=O)CC3(CCCC3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E03 compound treatment 0.246 0.0262 1.29 0.256 0.00955 0.52 1.2858 0.9207 1123698 Maybridge3_000091 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E04 compound treatment 0.243 0.0232 1.15 0.249 0.00255 0.14 0.9097 0.7875 1231775 Maybridge3_000092 CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E05 compound treatment 0.244 0.0242 1.2 0.25 0.00355 0.19 0.9834 0.8116 2075219 Maybridge3_000093 OC(=O)CSCC(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E06 compound treatment 0.257 0.0372 1.84 0.254 0.00755 0.41 1.5924 0.8452 1696466 Maybridge3_000094 Clc1cc(ccc1N2C(=O)CC3(CCCC3)C2=O)S(=O)(=O)N4CCSCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E07 compound treatment 0.249 0.0292 1.44 0.253 0.00655 0.36 1.2743 0.857 1470375 Maybridge3_000095 Clc1cccc(c1Cl)S(=O)(=O)N2CCCN(CC2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E08 compound treatment 0.257 0.0372 1.84 0.258 0.0116 0.63 1.7475 0.8989 2075220 Maybridge3_000096 OC(COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E09 compound treatment 0.25 0.0302 1.49 0.256 0.00955 0.52 1.4255 0.9014 1589430 Maybridge3_000097 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)N3CCCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E10 compound treatment 0.251 0.0312 1.54 0.255 0.00855 0.47 1.4216 0.8823 2075221 Maybridge3_000098 FC(F)(F)c1ccnc(Oc2ccc(I)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E11 compound treatment 0.258 0.0382 1.89 0.259 0.0126 0.69 1.8212 0.9066 1678944 Maybridge3_000099 Clc1ccc(CN2CCCNCC2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E12 compound treatment 0.245 0.0252 1.25 0.256 0.00955 0.52 1.2509 0.9259 2075222 Maybridge3_000100 FC(F)(F)c1ccnc(n1)N2CCC(CC2)C(=O)N3CCSCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E13 compound treatment 0.259 0.0392 1.94 0.254 0.00755 0.41 1.6622 0.8393 1517901 Maybridge3_000101 OC(COc1ccc(Cl)c(Cl)c1)CN2CCC(O)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E14 compound treatment 0.248 0.0282 1.39 0.255 0.00855 0.47 1.3169 0.8957 2075223 Maybridge3_000102 COc1cc(/C=C/2\CCCCC2=O)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E15 compound treatment 0.249 0.0292 1.44 0.252 0.00555 0.3 1.2355 0.8378 2075224 Maybridge3_000103 CCOC(=O)c1cc(/C(=N/O)/N)c(C)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E16 compound treatment 0.249 0.0292 1.44 0.261 0.0146 0.8 1.5844 0.961 2075225 Maybridge3_000104 CC(=O)Nc1ccc(C)cc1/N=C/c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E17 compound treatment 0.268 0.0482 2.38 0.276 0.0296 1.62 2.8294 0.9824 1127707 Maybridge3_000105 Cc1cc(Cl)cc(Br)c1OCC(O)CNCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E18 compound treatment 0.236 0.0162 0.8 0.242 -0.00445 -0.24 0.3939 0.4704 2075226 Maybridge3_000106 CCOC(=O)/C(=C(/C)\Nc1ccc(F)cc1)/C2CC(=O)N(C2=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E19 compound treatment 0.243 0.0232 1.15 0.253 0.00655 0.36 1.0648 0.8862 2075227 Maybridge3_000107 COC(=O)c1sccc1Oc2nccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E20 compound treatment 0.24 0.0202 1.0 0.256 0.00955 0.52 1.0763 0.9547 2075228 Maybridge3_000108 Oc1ccc(Br)cc1/C=N/c2ccc3[nH]nnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E21 compound treatment 0.248 0.0282 1.39 0.254 0.00755 0.41 1.2781 0.8792 2075229 Maybridge3_000109 Cc1nc(ccc1C(=O)N2CCCCC2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E22 compound treatment 0.246 0.0262 1.29 0.251 0.00455 0.25 1.092 0.8282 2075230 Maybridge3_000110 C/C=C(\C)/C(=O)Nc1ccc(cc1)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E23 mock treatment 0.238 0.0182 0.9 0.251 0.00455 0.25 0.8126 0.8704 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 E24 mock treatment 0.206 -0.0138 -0.68 0.249 0.00255 0.14 -0.3823 -0.5502 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F01 compound treatment 0.231 0.0112 0.55 0.252 0.00555 0.3 0.607 0.9602 1295702 Maybridge3_000111 Cc1cc(C)c(NC(=O)CSCc2cnc(C)c(O)c2CO)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F02 compound treatment 0.24 0.0202 1.0 0.253 0.00655 0.36 0.96 0.9047 1449189 Maybridge3_000112 Cc1ccccc1C(=O)NCC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F03 compound treatment 0.248 0.0282 1.39 0.258 0.0116 0.63 1.4332 0.9363 2075231 Maybridge3_000113 Cn1ncc(C#N)c1n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F04 compound treatment 0.239 0.0192 0.95 0.254 0.00755 0.41 0.9639 0.9309 2075232 Maybridge3_000114 COc1ccccc1Oc2ccc(cc2N)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F05 compound treatment 0.241 0.0212 1.05 0.253 0.00655 0.36 0.9949 0.8982 2075233 Maybridge3_000115 COC(=O)C1SC/C(=N\O)/C1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F06 compound treatment 0.248 0.0282 1.39 0.258 0.0116 0.63 1.4332 0.9363 1209945 Maybridge3_000116 Fc1ccc(cc1Cl)c2nc3cccc(F)c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F07 compound treatment 0.248 0.0282 1.39 0.262 0.0156 0.85 1.5883 0.9722 1422600 Maybridge3_000117 Clc1c(sc2ccccc12)C(=O)NCC3CCC(CC3)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F08 compound treatment 0.305 0.0852 4.21 0.306 0.0596 3.27 5.2845 0.9921 2075234 Maybridge3_000118 Clc1cccc2nc(oc(=O)c12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F09 compound treatment 0.242 0.0222 1.1 0.259 0.0126 0.69 1.2625 0.9748 2075235 Maybridge3_000119 Cc1cc(ccc1Cl)C(=O)CSC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F10 compound treatment 0.273 0.0532 2.63 0.285 0.0386 2.11 3.353 0.9942 1399737 Maybridge3_000120 CC(=O)Nc1cc2cc(NC(=O)c3c(F)cccc3F)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F11 compound treatment 0.242 0.0222 1.1 0.253 0.00655 0.36 1.0298 0.892 2075236 Maybridge3_000121 Nc1ccc(c(C#N)c1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F12 compound treatment 0.256 0.0362 1.79 0.26 0.0136 0.74 1.7901 0.9243 2075237 Maybridge3_000122 COC(=O)/C=C/1\S/C(=N\c2ccccn2)/N(C1=O)c3cccc(SC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F13 compound treatment 0.271 0.0512 2.53 0.266 0.0196 1.07 2.5465 0.927 1012037 Maybridge3_000123 O=C(CCN1CCCCC1)c2ccc(cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F14 compound treatment 0.248 0.0282 1.39 0.255 0.00855 0.47 1.3169 0.8957 2075238 Maybridge3_000124 CCc1nc2cc(cc(Cl)c2nc1CC)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F15 compound treatment 0.247 0.0272 1.34 0.255 0.00855 0.47 1.282 0.9006 1917196 Maybridge3_000125 FC(F)(F)C(=O)NCCc1ccncc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F16 compound treatment 0.25 0.0302 1.49 0.267 0.0206 1.13 1.852 0.9904 2075239 Maybridge3_000126 Clc1ccc2OC(Nc2c1)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F17 compound treatment 0.253 0.0332 1.64 0.263 0.0166 0.91 1.8016 0.961 2075240 Maybridge3_000127 O=C(NCCSC1=NCCN1)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F18 compound treatment 0.247 0.0272 1.34 0.263 0.0166 0.91 1.5921 0.9817 1172488 Maybridge3_000128 O=c1nc([nH]c2ccccc12)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F19 compound treatment 0.242 0.0222 1.1 0.257 0.0106 0.58 1.1849 0.9553 1505028 Maybridge3_000129 OC(=O)c1c(F)cccc1NC(=O)COc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F20 compound treatment 0.238 0.0182 0.9 0.255 0.00855 0.47 0.9677 0.9539 1261208 Maybridge3_000130 Cc1ccc(NC(=O)Cc2nn[nH]n2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F21 compound treatment 0.247 0.0272 1.34 0.258 0.0116 0.63 1.3983 0.9411 2075241 Maybridge3_000131 CC(C)c1nnc(NCC(C)(C)C)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F22 compound treatment 0.242 0.0222 1.1 0.258 0.0116 0.63 1.2237 0.9659 2075242 Maybridge3_000132 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F23 mock treatment 0.245 0.0252 1.25 0.254 0.00755 0.41 1.1734 0.8941 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 F24 mock treatment 0.219 -7.81E-4 -0.04 0.256 0.00955 0.52 0.343 0.6532 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G01 compound treatment 0.215 -0.00478 -0.24 0.242 -0.00445 -0.24 -0.3394 -0.9999 2075243 Maybridge3_000133 Oc1ccc(cc1)n2cncn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G02 compound treatment 0.248 0.0282 1.39 0.251 0.00455 0.25 1.1618 0.8207 1484820 Maybridge3_000134 NCCNc1ncnc2scc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G03 compound treatment 0.236 0.0162 0.8 0.251 0.00455 0.25 0.7428 0.8855 2075244 Maybridge3_000135 c1csc(c1)c2cc[nH]n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G04 compound treatment 0.239 0.0192 0.95 0.25 0.00355 0.19 0.8088 0.8348 1368451 Maybridge3_000136 CCOC(=O)c1c(sc(C)c1c2ccccc2)N3C(=O)CCC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G05 compound treatment 0.249 0.0292 1.44 0.258 0.0116 0.63 1.4681 0.9317 2075245 Maybridge3_000137 COc1ccc(CCNCC(O)Cn2ccc3ccccc23)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G06 compound treatment 0.242 0.0222 1.1 0.253 0.00655 0.36 1.0298 0.892 1139862 Maybridge3_000138 Clc1cc(ccc1N2C(=O)CC3(CCCC3)C2=O)S(=O)(=O)NC4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G07 compound treatment 0.259 0.0392 1.94 0.261 0.0146 0.8 1.9336 0.9231 1263570 Maybridge3_000139 OC(COc1ccc(Cl)c(Cl)c1)CN2CCCN(CC2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G08 compound treatment 0.253 0.0332 1.64 0.253 0.00655 0.36 1.4139 0.842 1720104 Maybridge3_000140 CC(O)CNc1ncnc2scc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G09 compound treatment 0.242 0.0222 1.1 0.254 0.00755 0.41 1.0686 0.9112 1618125 Maybridge3_000141 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)NCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G10 compound treatment 0.247 0.0272 1.34 0.256 0.00955 0.52 1.3207 0.9156 2075246 Maybridge3_000142 CCCc1cnc(nc1)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G11 compound treatment 0.25 0.0302 1.49 0.252 0.00555 0.3 1.2704 0.8342 1463644 Maybridge3_000143 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)NCC3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G12 compound treatment 0.255 0.0352 1.74 0.259 0.0126 0.69 1.7164 0.9177 2075247 Maybridge3_000144 FC(F)(F)c1ccnc(n1)N2CCC(CC2)C(=O)NC3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G13 compound treatment 0.252 0.0322 1.59 0.255 0.00855 0.47 1.4566 0.8782 2075248 Maybridge3_000145 Cc1nc(ccc1NC(=O)/C=C/C(=O)O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G14 compound treatment 0.242 0.0222 1.1 0.253 0.00655 0.36 1.0298 0.892 2075249 Maybridge3_000146 CC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G15 compound treatment 0.243 0.0232 1.15 0.255 0.00855 0.47 1.1423 0.9221 1530311 Maybridge3_000147 COC(=O)c1ccc(nc1C)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G16 compound treatment 0.241 0.0212 1.05 0.255 0.00855 0.47 1.0725 0.9343 1918878 Maybridge3_000148 COc1cc(/C=N/Cc2ccccc2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G17 compound treatment 0.263 0.0432 2.13 0.265 0.0186 1.02 2.2284 0.9425 1704746 Maybridge3_000149 Cc1ccc(OCC(O)CNCc2ccccc2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G18 compound treatment 0.242 0.0222 1.1 0.253 0.00655 0.36 1.0298 0.892 2075250 Maybridge3_000150 COc1ccc(/C=N/c2cc(NS(=O)(=O)C)ccc2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G19 compound treatment 0.255 0.0352 1.74 0.254 0.00755 0.41 1.5225 0.8517 2075251 Maybridge3_000151 OC(CSc1ccccc1)CN2CCC(CC2)Nc3nccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G20 compound treatment 0.253 0.0332 1.64 0.27 0.0236 1.29 2.073 0.993 1431187 Maybridge3_000152 Cc1onc(c1C(=O)Nc2ccc(cc2)N3CCOCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G21 compound treatment 0.263 0.0432 2.13 0.265 0.0186 1.02 2.2284 0.9425 2075252 Maybridge3_000153 OC(COc1ccc(Cl)c(Cl)c1)CN2CCC(CC2)Nc3nccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G22 compound treatment 0.239 0.0192 0.95 0.249 0.00255 0.14 0.77 0.8027 2075253 Maybridge3_000154 C/C=C(\C)/C(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G23 mock treatment 0.229 0.00922 0.46 0.253 0.00655 0.36 0.5759 0.9931 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 G24 mock treatment 0.216 -0.00378 -0.19 0.242 -0.00445 -0.24 -0.3045 -0.9913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H01 compound treatment 0.229 0.00922 0.46 0.238 -0.00845 -0.46 -0.0056 -0.0087 2075254 Maybridge3_000155 Cc1ncc(CSCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H02 compound treatment 0.29 0.0702 3.47 0.293 0.0466 2.55 4.2567 0.9886 2075255 Maybridge3_000156 Fc1ccccc1c2ncc(o2)c3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H03 compound treatment 0.244 0.0242 1.2 0.259 0.0126 0.69 1.3323 0.9656 2075256 Maybridge3_000157 CC1ONC(=N1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H04 compound treatment 0.243 0.0232 1.15 0.253 0.00655 0.36 1.0648 0.8862 1588151 Maybridge3_000158 COc1ccc(OC)c(c1)S(=O)(=O)NC2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H05 compound treatment 0.249 0.0292 1.44 0.251 0.00455 0.25 1.1967 0.8173 1381483 Maybridge3_000159 Nc1cc(Cl)c(cc1N2CCOCC2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H06 compound treatment 0.242 0.0222 1.1 0.249 0.00255 0.14 0.8748 0.7909 1540229 Maybridge3_000160 CC(C)(C)NC(=O)c1cc2ccccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H07 compound treatment 0.314 0.0942 4.65 0.317 0.0706 3.87 6.0252 0.9958 2075257 Maybridge3_000161 Nc1cc(ccc1Oc2ccc(Cl)cc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H08 compound treatment 0.288 0.0682 3.37 0.288 0.0416 2.28 3.993 0.9819 2075258 Maybridge3_000162 FC(F)(F)c1cccc(c1)c2nc3cccc(Cl)c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H09 compound treatment 0.251 0.0312 1.54 0.253 0.00655 0.36 1.3441 0.8491 2075259 Maybridge3_000163 COc1ccc2ncc(nc2c1)c3ccc(Cl)c(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H10 compound treatment 0.25 0.0302 1.49 0.255 0.00855 0.47 1.3867 0.8866 2075260 Maybridge3_000164 Cc1cccc(/N=C/2\NC(C)(C)C(=C)S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H11 compound treatment 0.239 0.0192 0.95 0.246 -4.48E-4 -0.02 0.6537 0.6886 2075261 Maybridge3_000165 COc1cccc(C)c1OC(=O)c2cc(F)cc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H12 compound treatment 0.24 0.0202 1.0 0.255 0.00855 0.47 1.0376 0.9406 2075262 Maybridge3_000166 COC(=O)/C=C/1\S/C(=N\c2ccccn2)/N(C1=O)c3ccc(C)c(C)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H13 compound treatment 0.259 0.0392 1.94 0.253 0.00655 0.36 1.6235 0.8242 2075263 Maybridge3_000167 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Br)cn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H14 compound treatment 0.261 0.0412 2.04 0.265 0.0186 1.02 2.1585 0.9486 2075264 Maybridge3_000168 COC(=O)c1sc2ccccc2c1OC(=O)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H15 compound treatment 0.245 0.0252 1.25 0.253 0.00655 0.36 1.1346 0.8754 1591924 Maybridge3_000169 O=C(CSc1ccccc1)NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H16 compound treatment 0.241 0.0212 1.05 0.259 0.0126 0.69 1.2276 0.9792 2075265 Maybridge3_000170 Fc1ccc2nc(cnc2c1)c3ccc(Cl)c(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H17 compound treatment 0.289 0.0692 3.42 0.287 0.0406 2.22 3.9892 0.9783 2075266 Maybridge3_000171 Cc1nn(nc1C(=O)Nc2cc(Cl)cc(Cl)c2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H18 compound treatment 0.241 0.0212 1.05 0.248 0.00155 0.09 0.8011 0.762 1188919 Maybridge3_000172 Cc1cc(NS(=O)(=O)c2ccc(C)cc2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H19 compound treatment 0.279 0.0592 2.92 0.287 0.0406 2.22 3.64 0.9909 2075267 Maybridge3_000173 Fc1cccc2nc(oc(=O)c12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H20 compound treatment 0.241 0.0212 1.05 0.258 0.0116 0.63 1.1888 0.9709 2075268 Maybridge3_000174 COC(=O)CSc1cc(C)c(Cl)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H21 compound treatment 0.248 0.0282 1.39 0.252 0.00555 0.3 1.2006 0.8417 2075269 Maybridge3_000175 COc1ccc(cc1OC)S(=O)(=O)Nc2c(F)cc(F)cc2Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H22 compound treatment 0.239 0.0192 0.95 0.253 0.00655 0.36 0.9251 0.9116 1710792 Maybridge3_000176 COC(=O)c1sccc1OC(=O)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H23 mock treatment 0.229 0.00922 0.46 0.251 0.00455 0.25 0.4984 0.96 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 H24 mock treatment 0.23 0.0102 0.5 0.252 0.00555 0.3 0.5721 0.9707 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I01 compound treatment 0.219 -7.81E-4 -0.04 0.253 0.00655 0.36 0.2267 0.6276 1055531 Maybridge3_000177 OCc1c(F)c(F)c(F)c(F)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I02 compound treatment 0.262 0.0422 2.08 0.265 0.0186 1.02 2.1934 0.9456 1169015 Maybridge3_000178 O=C(N1CCCN(Cc2cccc3ccccc23)CC1)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I03 compound treatment 0.248 0.0282 1.39 0.256 0.00955 0.52 1.3557 0.9107 2075270 Maybridge3_000179 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)n3nccc3C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I04 compound treatment 0.245 0.0252 1.25 0.25 0.00355 0.19 1.0183 0.8079 2075271 Maybridge3_000180 O=C(NCCNc1ncnc2scc(c3ccccc3)c12)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I05 compound treatment 0.247 0.0272 1.34 0.255 0.00855 0.47 1.282 0.9006 1317957 Maybridge3_000181 COc1ccc(Cc2noc(N)n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I06 compound treatment 0.248 0.0282 1.39 0.256 0.00955 0.52 1.3557 0.9107 1185792 Maybridge3_000182 CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I07 compound treatment 0.274 0.0542 2.68 0.284 0.0376 2.06 3.3491 0.9916 2075272 Maybridge3_000183 OC(COc1ccc(OC(F)(F)F)cc1)CS(=O)(=O)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I08 compound treatment 0.263 0.0432 2.13 0.259 0.0126 0.69 1.9957 0.89 1465029 Maybridge3_000184 Cc1ccc(cc1)c2csc3ncnc(N4CCNCC4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I09 compound treatment 0.262 0.0422 2.08 0.26 0.0136 0.74 1.9996 0.9035 1557263 Maybridge3_000185 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)NCc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I10 compound treatment 0.264 0.0442 2.18 0.268 0.0216 1.18 2.3796 0.9584 2075273 Maybridge3_000186 Oc1ncnc2scc(c3ccc4ccccc4c3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I11 compound treatment 0.243 0.0232 1.15 0.256 0.00955 0.52 1.1811 0.937 2075274 Maybridge3_000187 CC(C)c1csc2nc[nH]c(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I12 compound treatment 0.259 0.0392 1.94 0.266 0.0196 1.07 2.1275 0.9611 2075275 Maybridge3_000188 CC(O)C/N=C(\C)/c1cc(Cl)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I13 compound treatment 0.248 0.0282 1.39 0.256 0.00955 0.52 1.3557 0.9107 2075276 Maybridge3_000189 NC(=O)c1ccc([nH]c1=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I14 compound treatment 0.247 0.0272 1.34 0.254 0.00755 0.41 1.2432 0.8839 1310718 Maybridge3_000190 Clc1c(sc2ccccc12)C(=O)N(CCC#N)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I15 compound treatment 0.245 0.0252 1.25 0.259 0.0126 0.69 1.3672 0.9609 1523218 Maybridge3_000191 CCOC(=O)c1cc(C#N)c(C)nc1NCC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I16 compound treatment 0.244 0.0242 1.2 0.261 0.0146 0.8 1.4098 0.9806 2075277 Maybridge3_000192 COc1cccc(/C=N/c2ccccc2C(=O)Nc3ccc(F)cc3)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I17 compound treatment 0.263 0.0432 2.13 0.262 0.0156 0.85 2.1121 0.919 1376595 Maybridge3_000193 Cc1ccc(OCC(O)CNCc2ccco2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I18 compound treatment 0.25 0.0302 1.49 0.259 0.0126 0.69 1.5418 0.9382 2075278 Maybridge3_000194 CCOC(=O)/C(=C(/C)\N)/C1CC(=O)N(C1=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I19 compound treatment 0.249 0.0292 1.44 0.254 0.00755 0.41 1.313 0.8747 2075279 Maybridge3_000195 C(Oc1cccnc1)C2=NCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I20 compound treatment 0.25 0.0302 1.49 0.255 0.00855 0.47 1.3867 0.8866 1152459 Maybridge3_000196 CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I21 compound treatment 0.241 0.0212 1.05 0.246 -4.48E-4 -0.02 0.7235 0.6903 2075280 Maybridge3_000197 FC(F)(F)c1ccnc(Sc2ccccc2NC(=O)CSc3ccccn3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I22 compound treatment 0.239 0.0192 0.95 0.262 0.0156 0.85 1.274 0.9986 1061675 Maybridge3_000198 CNc1ccc(Cl)cc1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I23 mock treatment 0.245 0.0252 1.25 0.253 0.00655 0.36 1.1346 0.8754 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 I24 mock treatment 0.233 0.0132 0.65 0.253 0.00655 0.36 0.7156 0.9604 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J01 compound treatment 0.234 0.0142 0.7 0.257 0.0106 0.58 0.9056 0.9954 1327006 Maybridge3_000199 COc1ccccc1NC(=O)CSCc2cnc(C)c(O)c2CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J02 compound treatment 0.273 0.0532 2.63 0.273 0.0266 1.46 2.8877 0.9612 2075281 Maybridge3_000200 Fc1ccccc1c2ncc(o2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J03 compound treatment 0.259 0.0392 1.94 0.255 0.00855 0.47 1.701 0.8536 2075282 Maybridge3_000201 Fc1ccc(NC(=O)CCc2nc(no2)c3ccc(Cl)cc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J04 compound treatment 0.239 0.0192 0.95 0.255 0.00855 0.47 1.0026 0.9472 2075283 Maybridge3_000202 Clc1cc(Cl)cc(c1)C(=O)NC2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J05 compound treatment 0.247 0.0272 1.34 0.254 0.00755 0.41 1.2432 0.8839 1160752 Maybridge3_000203 Clc1ccc(cc1)c2csc(=N)n2c3ccccc3N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J06 compound treatment 0.238 0.0182 0.9 0.251 0.00455 0.25 0.8126 0.8704 1382622 Maybridge3_000204 O=C(NC1CC1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J07 compound treatment 0.24 0.0202 1.0 0.25 0.00355 0.19 0.8437 0.8294 1163772 Maybridge3_000205 CS(=O)(=O)N(c1cccc(C#N)c1)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J08 compound treatment 0.26 0.0402 1.99 0.261 0.0146 0.8 1.9685 0.9197 2075284 Maybridge3_000206 Fc1cc(Br)c(c(Br)c1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J09 compound treatment 0.256 0.0362 1.79 0.259 0.0126 0.69 1.7513 0.9139 1391249 Maybridge3_000207 Nc1nc(nc2n(ncc12)c3ccccc3)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J10 compound treatment 0.246 0.0262 1.29 0.247 5.52E-4 0.03 0.9369 0.7234 1664843 Maybridge3_000208 Nc1ccc(Cl)cc1C(=O)NCCc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J11 compound treatment 0.239 0.0192 0.95 0.249 0.00255 0.14 0.77 0.8027 1510127 Maybridge3_000209 CCOC(=O)c1cc(OC)ccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J12 compound treatment 0.25 0.0302 1.49 0.249 0.00255 0.14 1.1541 0.77 1404519 Maybridge3_000210 Cc1cc(Oc2c(C)cccc2C)c3ccccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J13 compound treatment 0.253 0.0332 1.64 0.255 0.00855 0.47 1.4915 0.8742 1397748 Maybridge3_000211 OC(CCN1CCCCC1)c2ccc(cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J14 compound treatment 0.243 0.0232 1.15 0.254 0.00755 0.41 1.1035 0.9052 2075285 Maybridge3_000212 COC(=O)c1sc2ccccc2c1OC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J15 compound treatment 0.24 0.0202 1.0 0.241 -0.00545 -0.3 0.4948 0.4747 1205036 Maybridge3_000213 Cc1ccc(SCC(=O)NCc2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J16 compound treatment 0.266 0.0462 2.28 0.284 0.0376 2.06 3.0698 0.9987 1714158 Maybridge3_000214 COc1cc2c(=O)oc(nc2c(OC)c1OC)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J17 compound treatment 0.27 0.0502 2.48 0.265 0.0186 1.02 2.4728 0.9226 2075286 Maybridge3_000215 CSCc1ccc(cc1)C(=O)Nc2ccc(C)cc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J18 compound treatment 0.246 0.0262 1.29 0.253 0.00655 0.36 1.1695 0.8704 2075287 Maybridge3_000216 CCOC(=O)c1cc2cc(Cl)ccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J19 compound treatment 0.257 0.0372 1.84 0.258 0.0116 0.63 1.7475 0.8989 1164150 Maybridge3_000217 Fc1cccc(NC(=O)c2cccs2)c1C(=O)NCc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J20 compound treatment 0.25 0.0302 1.49 0.249 0.00255 0.14 1.1541 0.77 1536952 Maybridge3_000218 O=C(NCC1CC1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J21 compound treatment 0.245 0.0252 1.25 0.251 0.00455 0.25 1.0571 0.8323 2075288 Maybridge3_000219 Fc1cc(F)c(NC(=O)c2cccs2)c(C#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J22 compound treatment 0.235 0.0152 0.75 0.249 0.00255 0.14 0.6303 0.8246 2075289 Maybridge3_000220 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)NN 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J23 mock treatment 0.234 0.0142 0.7 0.248 0.00155 0.09 0.5567 0.787 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 J24 mock treatment 0.219 -7.81E-4 -0.04 0.246 -4.48E-4 -0.02 -0.0447 -0.9763 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K01 compound treatment 0.22 2.19E-4 0.01 0.248 0.00155 0.09 0.0678 0.7905 2042 Maybridge3_000221 CN(C)c1ncnc2[nH]cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K02 compound treatment 0.247 0.0272 1.34 0.256 0.00955 0.52 1.3207 0.9156 1367399 Maybridge3_000222 OC(=O)C1CCN(CC1)c2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K03 compound treatment 0.243 0.0232 1.15 0.251 0.00455 0.25 0.9872 0.8413 2075290 Maybridge3_000223 OC(=O)/C=C/C(=O)Nc1ccc(cc1)n2nccc2C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K04 compound treatment 0.249 0.0292 1.44 0.255 0.00855 0.47 1.3518 0.891 2075291 Maybridge3_000224 FC(F)(F)c1ccnc(n1)N2CCC(CC2)NC(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K05 compound treatment 0.253 0.0332 1.64 0.262 0.0156 0.85 1.7629 0.9535 1276407 Maybridge3_000225 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2ccc(s2)c3csc(C)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K06 compound treatment 0.249 0.0292 1.44 0.257 0.0106 0.58 1.4294 0.9195 1564123 Maybridge3_000226 Clc1cc(ccc1N2C(=O)CC3(CCCC3)C2=O)S(=O)(=O)NCC4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K07 compound treatment 0.237 0.0172 0.85 0.248 0.00155 0.09 0.6614 0.774 1142977 Maybridge3_000227 CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K08 compound treatment 0.251 0.0312 1.54 0.257 0.0106 0.58 1.4992 0.9105 1445458 Maybridge3_000228 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K09 compound treatment 0.253 0.0332 1.64 0.253 0.00655 0.36 1.4139 0.842 1611715 Maybridge3_000229 CC(C)(C)OC(=O)NCCN1C(=O)CC2(CCCC2)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K10 compound treatment 0.25 0.0302 1.49 0.254 0.00755 0.41 1.348 0.8704 1158858 Maybridge3_000230 CCCc1cnc(nc1)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K11 compound treatment 0.264 0.0442 2.18 0.27 0.0236 1.29 2.4571 0.9686 1576456 Maybridge3_000231 OC(CSc1ccc(F)cc1)CN2CCN(CC2)c3nc4ccc(Cl)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K12 compound treatment 0.247 0.0272 1.34 0.26 0.0136 0.74 1.4758 0.9609 2075292 Maybridge3_000232 COC(=O)c1ccc(CSc2ccccc2N)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K13 compound treatment 0.239 0.0192 0.95 0.249 0.00255 0.14 0.77 0.8027 2075293 Maybridge3_000233 Cc1cn(nc1C(F)(F)F)c2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K14 compound treatment 0.251 0.0312 1.54 0.256 0.00955 0.52 1.4604 0.897 2075294 Maybridge3_000234 Cc1cccc(C)c1/N=C/2\NC3(CCCCC3)C(=C)S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K15 compound treatment 0.24 0.0202 1.0 0.249 0.00255 0.14 0.8049 0.7984 2075295 Maybridge3_000235 Cc1nc(ccc1C(=O)Oc2ccc(F)cc2F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K16 compound treatment 0.246 0.0262 1.29 0.263 0.0166 0.91 1.5572 0.9849 2075296 Maybridge3_000236 COc1cc(N2C(SCC2=O)c3ccccc3)c(OC)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K17 compound treatment 0.249 0.0292 1.44 0.254 0.00755 0.41 1.313 0.8747 2075297 Maybridge3_000237 FC(F)(F)c1cccnc1N2CCCN(CC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K18 compound treatment 0.242 0.0222 1.1 0.25 0.00355 0.19 0.9135 0.8198 1515242 Maybridge3_000238 CCOC(=O)C1=C(C)NC(=O)C1CC(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K19 compound treatment 0.25 0.0302 1.49 0.251 0.00455 0.25 1.2316 0.8141 2075298 Maybridge3_000239 Cc1oc(cc1C(=O)NCCNc2nccc(n2)C(F)(F)F)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K20 compound treatment 0.272 0.0522 2.58 0.276 0.0296 1.62 2.9691 0.9749 1249782 Maybridge3_000240 Clc1cccc(c1)C(=O)Nc2ccc3[nH]nnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K21 compound treatment 0.258 0.0382 1.89 0.26 0.0136 0.74 1.8599 0.917 1077231 Maybridge3_000241 CCOC(=O)C(=C1CCN(Cc2ccccc2)CC1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K22 compound treatment 0.244 0.0242 1.2 0.257 0.0106 0.58 1.2548 0.9445 1538537 Maybridge3_000242 NC(=O)c1ccccc1NCC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K23 mock treatment 0.213 -0.00678 -0.33 0.249 0.00255 0.14 -0.1379 -0.3799 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 K24 mock treatment 0.221 0.00122 0.06 0.254 0.00755 0.41 0.3353 0.8015 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L01 compound treatment 0.243 0.0232 1.15 0.256 0.00955 0.52 1.1811 0.937 2075299 Maybridge3_000243 Cc1ncc(CSCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L02 compound treatment 0.249 0.0292 1.44 0.253 0.00655 0.36 1.2743 0.857 1333099 Maybridge3_000244 O=C(N1CCOCC1)c2cc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L03 compound treatment 0.326 0.106 5.25 0.305 0.0586 3.21 5.979 0.9722 1117699 Maybridge3_000245 Fc1ccc(NC(=O)c2ccccc2NC(=O)c3ccco3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L04 compound treatment 0.244 0.0242 1.2 0.248 0.00155 0.09 0.9058 0.7555 2075300 Maybridge3_000246 CCC1(CC)N/C(=N/c2ccc(F)c(Cl)c2)/SC1=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L05 compound treatment 0.252 0.0322 1.59 0.254 0.00755 0.41 1.4178 0.8624 2075301 Maybridge3_000247 CC(C)(C)n1ncc(C#N)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L06 compound treatment 0.246 0.0262 1.29 0.254 0.00755 0.41 1.2083 0.8889 1495296 Maybridge3_000248 O=C(N1CCCCC1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L07 compound treatment 0.25 0.0302 1.49 0.249 0.00255 0.14 1.1541 0.77 2075302 Maybridge3_000249 N/C(=N\O)/c1cccc(c1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L08 compound treatment 0.245 0.0252 1.25 0.248 0.00155 0.09 0.9407 0.7537 2075303 Maybridge3_000250 Nc1ccc(Oc2ccc(cc2)C(F)(F)F)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L09 compound treatment 0.247 0.0272 1.34 0.25 0.00355 0.19 1.0881 0.8012 1195614 Maybridge3_000251 CC(C)(C)CC(C)(C)NC(=O)c1cccnc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L10 compound treatment 0.248 0.0282 1.39 0.254 0.00755 0.41 1.2781 0.8792 1642557 Maybridge3_000252 Clc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L11 compound treatment 0.248 0.0282 1.39 0.252 0.00555 0.3 1.2006 0.8417 2075304 Maybridge3_000253 OC(=O)CCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L12 compound treatment 0.247 0.0272 1.34 0.249 0.00255 0.14 1.0494 0.7765 1251326 Maybridge3_000254 COC(=O)c1ccc(Cl)cc1NC(=O)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L13 compound treatment 0.247 0.0272 1.34 0.254 0.00755 0.41 1.2432 0.8839 1348369 Maybridge3_000255 Clc1ccccc1C(=O)Nc2ccccc2C(=O)NCc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L14 compound treatment 0.256 0.0362 1.79 0.26 0.0136 0.74 1.7901 0.9243 2075305 Maybridge3_000256 CSc1ncc(C#N)c2nc(nn12)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L15 compound treatment 0.249 0.0292 1.44 0.25 0.00355 0.19 1.158 0.7953 2075306 Maybridge3_000257 O=C(NCCSc1ccccc1)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L16 compound treatment 0.246 0.0262 1.29 0.252 0.00555 0.3 1.1307 0.8502 1641688 Maybridge3_000258 Cn1c(nc(=O)c2cc(Cl)ccc12)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L17 compound treatment 0.257 0.0372 1.84 0.262 0.0156 0.85 1.9025 0.939 2075307 Maybridge3_000259 CC1CN(CC(C)O1)C(C#N)c2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L18 compound treatment 0.249 0.0292 1.44 0.254 0.00755 0.41 1.313 0.8747 1370020 Maybridge3_000260 CCOC(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)sc1CC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L19 compound treatment 0.271 0.0512 2.53 0.259 0.0126 0.69 2.2751 0.868 2075308 Maybridge3_000261 Fc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1C(=O)NCCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L20 compound treatment 0.253 0.0332 1.64 0.256 0.00955 0.52 1.5303 0.8887 1352714 Maybridge3_000262 Cc1nn(nc1C(=O)NCC2CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L21 compound treatment 0.285 0.0652 3.22 0.295 0.0486 2.66 4.1597 0.9955 2075309 Maybridge3_000263 COC(C/N=C/c1cc(Cl)cc(Cl)c1O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L22 compound treatment 0.243 0.0232 1.15 0.25 0.00355 0.19 0.9485 0.8155 2075310 Maybridge3_000264 C/C(=C\C(=O)Nc1ccc(F)cc1)/Nc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L23 mock treatment 0.24 0.0202 1.0 0.256 0.00955 0.52 1.0763 0.9547 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 L24 mock treatment 0.223 0.00322 0.16 0.251 0.00455 0.25 0.2889 0.9763 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M01 compound treatment 0.218 -0.00178 -0.09 0.233 -0.0134 -0.74 -0.5836 -0.7859 2075311 Maybridge3_000265 C(=N/c1cccc2ccccc12)/c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M02 compound treatment 0.237 0.0172 0.85 0.253 0.00655 0.36 0.8553 0.9265 2075312 Maybridge3_000266 CC(C)Nc1nccc(n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M03 compound treatment 0.236 0.0162 0.8 0.245 -0.00145 -0.08 0.5102 0.6339 2075313 Maybridge3_000267 FC(F)(F)c1ccnc(NCc2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M04 compound treatment 0.259 0.0392 1.94 0.263 0.0166 0.91 2.0112 0.9403 1310185 Maybridge3_000268 OC(CN1CCN(Cc2c(F)cccc2Cl)CC1)Cn3ccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M05 compound treatment 0.251 0.0312 1.54 0.257 0.0106 0.58 1.4992 0.9105 1049274 Maybridge3_000269 OC(=O)CC1(CCCC1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M06 compound treatment 0.252 0.0322 1.59 0.255 0.00855 0.47 1.4566 0.8782 2075314 Maybridge3_000270 C(Nc1ncnc2scc(c3ccccc3)c12)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M07 compound treatment 0.242 0.0222 1.1 0.249 0.00255 0.14 0.8748 0.7909 1323196 Maybridge3_000271 Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C(=O)OC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M08 compound treatment 0.259 0.0392 1.94 0.26 0.0136 0.74 1.8948 0.9135 2075315 Maybridge3_000272 COc1cccc(CC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M09 compound treatment 0.251 0.0312 1.54 0.252 0.00555 0.3 1.3053 0.8307 2075316 Maybridge3_000273 CC(C)(C)OC(=O)N1CCC(O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M10 compound treatment 0.273 0.0532 2.63 0.273 0.0266 1.46 2.8877 0.9612 2075317 Maybridge3_000274 Fc1cccc(Cl)c1CN2CCN(CCCNc3nc(ns3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M11 compound treatment 0.26 0.0402 1.99 0.262 0.0156 0.85 2.0073 0.9287 1572373 Maybridge3_000275 OC(CN1CCCC1=O)CN2CCN(CC2)c3nc4ccc(Cl)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M12 compound treatment 0.249 0.0292 1.44 0.255 0.00855 0.47 1.3518 0.891 2075318 Maybridge3_000276 O=C(NC1=NCCS1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M13 compound treatment 0.245 0.0252 1.25 0.254 0.00755 0.41 1.1734 0.8941 2075319 Maybridge3_000277 Cc1c[nH]nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M14 compound treatment 0.248 0.0282 1.39 0.258 0.0116 0.63 1.4332 0.9363 1715499 Maybridge3_000278 COc1ccc(NC(=O)C)c(NC(=O)c2ccc(Cl)cc2Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M15 compound treatment 0.246 0.0262 1.29 0.249 0.00255 0.14 1.0144 0.779 2075320 Maybridge3_000279 Cc1nc(ccc1C(=O)Sc2ccccc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M16 compound treatment 0.285 0.0652 3.22 0.293 0.0466 2.55 4.0821 0.9934 2075321 Maybridge3_000280 CCOC(=O)c1cc(C)ccc1/N=C/c2cc(Cl)cc(Cl)c2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M17 compound treatment 0.244 0.0242 1.2 0.247 5.52E-4 0.03 0.8671 0.7248 2075322 Maybridge3_000281 FC(F)(F)c1ccn(n1)c2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M18 compound treatment 0.247 0.0272 1.34 0.255 0.00855 0.47 1.282 0.9006 1397179 Maybridge3_000282 CC(C)N(Cc1ccc(cc1)N(C)C)S(=O)(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M19 compound treatment 0.24 0.0202 1.0 0.242 -0.00445 -0.24 0.5335 0.5191 2075323 Maybridge3_000283 Cc1nc(ccc1C(=O)NCCNc2ncccc2C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M20 compound treatment 0.248 0.0282 1.39 0.259 0.0126 0.69 1.472 0.9471 2075324 Maybridge3_000284 CCc1cc(CC)c(NC(=O)C(C)(C)C)c(CC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M21 compound treatment 0.267 0.0472 2.33 0.26 0.0136 0.74 2.1742 0.8884 1523751 Maybridge3_000285 C(N1CCCNCC1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M22 compound treatment 0.245 0.0252 1.25 0.259 0.0126 0.69 1.3672 0.9609 2075325 Maybridge3_000286 Oc1ccccc1/C=N/c2cc(ccc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M23 mock treatment 0.243 0.0232 1.15 0.249 0.00255 0.14 0.9097 0.7875 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 M24 mock treatment 0.211 -0.00878 -0.43 0.249 0.00255 0.14 -0.2077 -0.4558 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N01 compound treatment 0.236 0.0162 0.8 0.242 -0.00445 -0.24 0.3939 0.4704 2075326 Maybridge3_000287 COc1cccc(OC)c1C(=O)Nc2nnc(s2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N02 compound treatment 0.245 0.0252 1.25 0.248 0.00155 0.09 0.9407 0.7537 2075327 Maybridge3_000288 CC1CCN(CC1)C(=O)c2cc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N03 compound treatment 0.243 0.0232 1.15 0.255 0.00855 0.47 1.1423 0.9221 2075328 Maybridge3_000289 Brc1cc(Br)c2nc(oc(=O)c2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N04 compound treatment 0.242 0.0222 1.1 0.248 0.00155 0.09 0.836 0.7597 2075329 Maybridge3_000290 CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)c(C)c2)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N05 compound treatment 0.244 0.0242 1.2 0.248 0.00155 0.09 0.9058 0.7555 2075330 Maybridge3_000291 FC(F)(F)c1ccc(N2CCOCC2)c(c1)n3c(csc3=N)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N06 compound treatment 0.242 0.0222 1.1 0.252 0.00555 0.3 0.9911 0.8704 1320006 Maybridge3_000292 O=C(Nc1ccccc1N2CCOCC2)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N07 compound treatment 0.242 0.0222 1.1 0.251 0.00455 0.25 0.9523 0.8463 1478773 Maybridge3_000293 Cc1cccc(C)c1NC(=O)CSC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N08 compound treatment 0.247 0.0272 1.34 0.254 0.00755 0.41 1.2432 0.8839 1436586 Maybridge3_000294 COC(=O)C=c1sc2nc3ccccc3n2c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N09 compound treatment 0.247 0.0272 1.34 0.248 0.00155 0.09 1.0106 0.7504 1547277 Maybridge3_000295 O=C(N1CCOCC1)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N10 compound treatment 0.245 0.0252 1.25 0.249 0.00255 0.14 0.9795 0.7816 2075331 Maybridge3_000296 Clc1ccc(CCNC(=O)c2cccnc2Oc3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N11 compound treatment 0.242 0.0222 1.1 0.249 0.00255 0.14 0.8748 0.7909 2075332 Maybridge3_000297 N#CCCn1ncc(C#N)c1n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N12 compound treatment 0.256 0.0362 1.79 0.258 0.0116 0.63 1.7125 0.9026 1620514 Maybridge3_000298 COC(=O)c1ccc(Cl)cc1NC(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N13 compound treatment 0.27 0.0502 2.48 0.273 0.0266 1.46 2.783 0.9678 2075333 Maybridge3_000299 Nc1ccccc1c2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N14 compound treatment 0.246 0.0262 1.29 0.25 0.00355 0.19 1.0532 0.8044 1246890 Maybridge3_000300 Cc1ccc(NC(=O)Cc2ncon2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N15 compound treatment 0.248 0.0282 1.39 0.255 0.00855 0.47 1.3169 0.8957 2075334 Maybridge3_000301 FC(F)(F)C(=O)Nc1ccccc1c2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N16 compound treatment 0.244 0.0242 1.2 0.256 0.00955 0.52 1.216 0.9314 2075335 Maybridge3_000302 CC1CN(CC(=N)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N17 compound treatment 0.257 0.0372 1.84 0.263 0.0166 0.91 1.9413 0.9471 2075336 Maybridge3_000303 Cc1nn(nc1C(=O)Oc2ccc(Cl)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N18 compound treatment 0.248 0.0282 1.39 0.251 0.00455 0.25 1.1618 0.8207 1735808 Maybridge3_000304 CCOC(=O)c1cc(CC)sc1NC(=O)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N19 compound treatment 0.239 0.0192 0.95 0.261 0.0146 0.8 1.2353 0.9963 2075337 Maybridge3_000305 CCOC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N20 compound treatment 0.249 0.0292 1.44 0.257 0.0106 0.58 1.4294 0.9195 2075338 Maybridge3_000306 O=C(NCC1CC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N21 compound treatment 0.249 0.0292 1.44 0.25 0.00355 0.19 1.158 0.7953 1512174 Maybridge3_000307 Cc1cc(C)c(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N22 compound treatment 0.235 0.0152 0.75 0.246 -4.48E-4 -0.02 0.514 0.6836 2075339 Maybridge3_000308 Cc1cc(no1)N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N23 mock treatment 0.232 0.0122 0.6 0.253 0.00655 0.36 0.6807 0.9693 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 N24 mock treatment 0.213 -0.00678 -0.33 0.246 -4.48E-4 -0.02 -0.2542 -0.757 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O01 compound treatment 0.197 -0.0228 -1.12 0.213 -0.0334 -1.83 -2.0923 -0.9725 2075340 Maybridge3_000309 CCOc1nc(N)nc(NC)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O02 compound treatment 0.22 2.19E-4 0.01 0.243 -0.00345 -0.19 -0.1261 -0.6656 2075341 Maybridge3_000310 FC(F)(F)c1ccnc(NCc2ccc3OCOc3c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O03 compound treatment 0.23 0.0102 0.5 0.247 5.52E-4 0.03 0.3782 0.7482 2075342 Maybridge3_000311 Nc1ccccc1Sc2ncnc3scc(c4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O04 compound treatment 0.241 0.0212 1.05 0.256 0.00955 0.52 1.1112 0.9486 2075343 Maybridge3_000312 OC(=O)/C=C/C(=O)N1CCCN(CC1)c2ncccc2C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O05 compound treatment 0.248 0.0282 1.39 0.255 0.00855 0.47 1.3169 0.8957 2075344 Maybridge3_000313 OC(CSc1ccccc1)CN2CCN(CC2)c3nccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O06 compound treatment 0.231 0.0112 0.55 0.251 0.00455 0.25 0.5682 0.9351 2075345 Maybridge3_000314 NC1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O07 compound treatment 0.233 0.0132 0.65 0.251 0.00455 0.25 0.638 0.913 1468130 Maybridge3_000315 CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O08 compound treatment 0.243 0.0232 1.15 0.251 0.00455 0.25 0.9872 0.8413 2075346 Maybridge3_000316 Cc1nc(ccc1NC(=O)C(F)(F)Sc2ccccc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O09 compound treatment 0.235 0.0152 0.75 0.25 0.00355 0.19 0.6691 0.8619 2075347 Maybridge3_000317 Cc1nc(ccc1c2nnc(SC(=O)c3ccc(Cl)cc3)o2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O10 compound treatment 0.25 0.0302 1.49 0.255 0.00855 0.47 1.3867 0.8866 2075348 Maybridge3_000318 O=C(NCCCN1CCN(Cc2ccccc2)CC1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O11 compound treatment 0.236 0.0162 0.8 0.253 0.00655 0.36 0.8203 0.9346 1676831 Maybridge3_000319 OC(CN1CCN(CC1)c2nc3ccc(Cl)cc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O12 compound treatment 0.23 0.0102 0.5 0.251 0.00455 0.25 0.5333 0.9473 2075349 Maybridge3_000320 O=C(NC1=NCCS1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O13 compound treatment 0.23 0.0102 0.5 0.259 0.0126 0.69 0.8435 0.9884 2075350 Maybridge3_000321 Cc1nc(ccc1NC(=O)c2ccc(cc2)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O14 compound treatment 0.228 0.00822 0.41 0.256 0.00955 0.52 0.6573 0.9921 1366003 Maybridge3_000322 COc1nc(Nc2ccc(F)cc2)nc(OC)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O15 compound treatment 0.235 0.0152 0.75 0.252 0.00555 0.3 0.7466 0.9208 2075351 Maybridge3_000323 FC(F)(F)c1ccnc(NCCNC(=O)C2CC2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O16 compound treatment 0.244 0.0242 1.2 0.265 0.0186 1.02 1.5649 0.9968 1016138 Maybridge3_000324 OC(=O)CSC1(CCCCC1)SCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O17 compound treatment 0.243 0.0232 1.15 0.259 0.0126 0.69 1.2974 0.9702 2075352 Maybridge3_000325 FC(F)(F)c1ccn(n1)c2nc(ns2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O18 compound treatment 0.241 0.0212 1.05 0.251 0.00455 0.25 0.9174 0.8517 1123304 Maybridge3_000326 CC(C)N(Cc1ccc(cc1)N(C)C)C(=O)c2c(C)onc2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O19 compound treatment 0.235 0.0152 0.75 0.247 5.52E-4 0.03 0.5528 0.735 2075353 Maybridge3_000327 Clc1ccc(cc1)S(=O)(=O)N2CCN=C2COc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O20 compound treatment 0.241 0.0212 1.05 0.254 0.00755 0.41 1.0337 0.9175 1029792 Maybridge3_000328 C(CN1CCCCC1)C2CCCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O21 compound treatment 0.241 0.0212 1.05 0.25 0.00355 0.19 0.8786 0.8244 2075354 Maybridge3_000329 OC(=O)c1ccccc1C(=O)N2CCCN(CC2)c3ncccc3C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O22 compound treatment 0.232 0.0122 0.6 0.255 0.00855 0.47 0.7582 0.9922 1537726 Maybridge3_000330 O=C(Nc1ccc2OCOCc2c1)c3cc4ccccc4oc3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O23 mock treatment 0.221 0.00122 0.06 0.242 -0.00445 -0.24 -0.1299 -0.5171 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 O24 mock treatment 0.217 -0.00278 -0.14 0.227 -0.0194 -1.07 -0.8511 -0.7916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P01 compound treatment 0.175 -0.0448 -2.21 0.193 -0.0534 -2.93 -3.6359 -0.9904 2075355 Maybridge3_000331 CCOC(=O)CCc1ccc2OC(Nc2c1)c3ccc(cc3)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P02 compound treatment 0.201 -0.0188 -0.93 0.194 -0.0524 -2.88 -2.6892 -0.89 2075356 Maybridge3_000332 Cc1ccc(NC(=O)Oc2ccc(F)cc2Cl)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P03 compound treatment 0.207 -0.0128 -0.63 0.215 -0.0314 -1.72 -1.6656 -0.9071 1270266 Maybridge3_000333 Brc1cc(Br)c2nc(oc(=O)c2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P04 compound treatment 0.192 -0.0278 -1.37 0.202 -0.0444 -2.44 -2.6933 -0.963 2075357 Maybridge3_000334 CCOC(=O)c1cnc(SCC(=O)c2ccc(cc2)c3ccccc3)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P05 compound treatment 0.191 -0.0288 -1.42 0.202 -0.0444 -2.44 -2.7283 -0.967 2075358 Maybridge3_000335 C/C=C(\C)/C(=O)Nc1nncs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P06 compound treatment 0.192 -0.0278 -1.37 0.209 -0.0374 -2.05 -2.422 -0.9808 2075359 Maybridge3_000336 CCC1(CC)N/C(=N/c2ccc(C)cc2C)/SC1=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P07 compound treatment 0.208 -0.0118 -0.58 0.235 -0.0114 -0.63 -0.8552 -0.9993 1310840 Maybridge3_000337 OC(=O)c1cnc2c(F)cccc2c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P08 compound treatment 0.198 -0.0218 -1.08 0.209 -0.0374 -2.05 -2.2124 -0.9545 2075360 Maybridge3_000338 COC(=O)/C=C/1\S/C(=N\c2ccc(Cl)cc2)/N(C1=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P09 compound treatment 0.207 -0.0128 -0.63 0.237 -0.00945 -0.52 -0.8126 -0.9952 2075361 Maybridge3_000339 O=C(Sc1ccccc1)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P10 compound treatment 0.206 -0.0138 -0.68 0.221 -0.0254 -1.4 -1.4679 -0.9455 1600278 Maybridge3_000340 CC(=O)Nc1cc2cc(ccc2oc1=O)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P11 compound treatment 0.216 -0.00378 -0.19 0.226 -0.0204 -1.12 -0.9248 -0.8137 1726788 Maybridge3_000341 CC(=O)Nc1cc2cc(N)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P12 compound treatment 0.205 -0.0148 -0.73 0.224 -0.0224 -1.23 -1.3865 -0.9689 1372903 Maybridge3_000342 Cc1onc(c1C(=O)Nc2nnc(s2)C3CC3)c4c(F)cccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P13 compound treatment 0.253 0.0332 1.64 0.264 0.0176 0.96 1.8404 0.9677 2075362 Maybridge3_000343 CN(C)c1ccc(CC(C#N)C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P14 compound treatment 0.212 -0.00778 -0.38 0.225 -0.0214 -1.18 -1.1033 -0.8918 1525163 Maybridge3_000344 Clc1cc(Cl)cc(NC(=O)Cc2ncon2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P15 compound treatment 0.213 -0.00678 -0.33 0.217 -0.0294 -1.61 -1.3785 -0.836 1394189 Maybridge3_000345 Cc1onc(c1C(=O)NCCS(=O)(=O)c2ccccc2)c3c(Cl)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P16 compound treatment 0.214 -0.00578 -0.29 0.218 -0.0284 -1.56 -1.3048 -0.8229 2075363 Maybridge3_000346 Clc1cc(Cl)cc(c1)S(=O)(=O)NC(=N)CN2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P17 compound treatment 0.193 -0.0268 -1.32 0.242 -0.00445 -0.24 -1.1076 -0.8236 2075364 Maybridge3_000347 Cc1nn(nc1C(=O)Sc2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P18 compound treatment 0.202 -0.0178 -0.88 0.213 -0.0334 -1.83 -1.9177 -0.9431 1025104 Maybridge3_000348 CSC(=S)Nc1ccc(Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P19 compound treatment 0.187 -0.0328 -1.62 0.23 -0.0164 -0.9 -1.7824 -0.9619 1192638 Maybridge3_000349 CCOC(=O)c1cnc2c(F)cc(F)cc2c1N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P20 compound treatment 0.198 -0.0218 -1.08 0.236 -0.0104 -0.57 -1.1656 -0.9565 1166619 Maybridge3_000350 Fc1ccc(c(F)c1)S(=O)(=O)NCC2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P21 compound treatment 0.21 -0.00978 -0.48 0.236 -0.0104 -0.57 -0.7466 -0.9964 2075365 Maybridge3_000351 Fc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P22 compound treatment 0.189 -0.0308 -1.52 0.19 -0.0564 -3.1 -3.2633 -0.9464 2075366 Maybridge3_000352 Clc1ccc2sc(Oc3cccc(c3)N4CCOCC4)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P23 mock treatment 0.192 -0.0278 -1.37 0.225 -0.0214 -1.18 -1.8016 -0.9971 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1431 P24 mock treatment 0.199 -0.0208 -1.03 0.197 -0.0494 -2.71 -2.6428 -0.9116 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A01 compound treatment 0.214 -0.033 -1.63 0.183 -0.0564 -3.09 -3.3394 -0.9554 2075367 Maybridge3_000353 Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A02 compound treatment 0.205 -0.042 -2.08 0.197 -0.0424 -2.32 -3.1109 -0.9984 1354581 Maybridge3_000354 CCCSc1nc(=O)c2cccnc2n1c3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A03 compound treatment 0.205 -0.042 -2.08 0.195 -0.0444 -2.43 -3.1884 -0.9969 2075368 Maybridge3_000355 Cc1nn(C)c2oc(=O)cc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A04 compound treatment 0.216 -0.031 -1.53 0.201 -0.0384 -2.1 -2.5717 -0.9879 2075369 Maybridge3_000356 Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A05 compound treatment 0.219 -0.028 -1.38 0.192 -0.0474 -2.6 -2.8159 -0.9566 2075370 Maybridge3_000357 CCOC(=O)CSc1cc(C)c(Cl)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A06 compound treatment 0.209 -0.038 -1.88 0.2 -0.0394 -2.16 -2.8549 -0.9976 1298817 Maybridge3_000358 CC(C)(C)c1cc(cc(c1)C(=O)Oc2cccnc2)C(=O)Oc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A07 compound treatment 0.213 -0.034 -1.68 0.217 -0.0224 -1.23 -2.0561 -0.988 2075371 Maybridge3_000359 CN(C(=O)CSc1cc(Cl)ccc1Cl)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A08 compound treatment 0.223 -0.024 -1.19 0.207 -0.0324 -1.78 -2.0946 -0.9808 2075372 Maybridge3_000360 COc1cc(C)nc2nc(SC)nn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A09 compound treatment 0.212 -0.035 -1.73 0.221 -0.0184 -1.01 -1.9359 -0.9669 1661500 Maybridge3_000361 CC(=O)Nc1ccccc1c2nnc(o2)c3ccc(cc3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A10 compound treatment 0.223 -0.024 -1.19 0.198 -0.0414 -2.27 -2.4436 -0.9543 1284592 Maybridge3_000362 COC(=O)CNC(=O)c1cccnc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A11 compound treatment 0.223 -0.024 -1.19 0.235 -0.00438 -0.24 -1.0091 -0.8333 1345631 Maybridge3_000363 Cc1onc(c1NC(=O)Oc2ccc(CC#N)cc2)c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A12 compound treatment 0.225 -0.022 -1.09 0.218 -0.0214 -1.17 -1.5983 -0.9993 2075373 Maybridge3_000364 CSc1ncccc1C2=N/C(=C\c3ccc(cc3)C(F)(F)F)/C(=O)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A13 compound treatment 0.197 -0.05 -2.47 0.218 -0.0214 -1.17 -2.576 -0.9419 2075374 Maybridge3_000365 Clc1ccc(cc1)S(=O)(=O)n2ccc(c2)c3cnc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A14 compound treatment 0.222 -0.025 -1.24 0.21 -0.0294 -1.61 -2.0132 -0.9915 1474356 Maybridge3_000366 Clc1cccc(c1)C(=O)OCCS(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A15 compound treatment 0.242 -0.00504 -0.25 0.231 -0.00838 -0.46 -0.5007 -0.9584 2075375 Maybridge3_000367 O/N=C/Nc1cc(Cl)c(cc1Cl)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A16 compound treatment 0.23 -0.017 -0.84 0.218 -0.0214 -1.17 -1.4237 -0.9868 2075376 Maybridge3_000368 CSC1=C(C#N)C(=C(C#N)C#N)NC(=N1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A17 compound treatment 0.219 -0.028 -1.38 0.217 -0.0224 -1.23 -1.8466 -0.9982 2075377 Maybridge3_000369 Clc1cncc(Oc2ccc(cn2)n3cccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A18 compound treatment 0.223 -0.024 -1.19 0.229 -0.0104 -0.57 -1.2417 -0.9433 1401952 Maybridge3_000370 CCOC(=O)c1c(C)c(C#N)c(N)n1c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A19 compound treatment 0.26 0.013 0.64 0.24 6.21E-4 0.03 0.4768 0.7436 2075378 Maybridge3_000371 FC(F)(F)c1ccc(SCCNC(=O)c2ccc(Cl)cc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A20 compound treatment 0.219 -0.028 -1.38 0.221 -0.0184 -1.01 -1.6915 -0.9878 1135908 Maybridge3_000372 CN(C(=O)CSc1ccccn1)c2c3CCCCc3nn2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A21 compound treatment 0.211 -0.036 -1.78 0.2 -0.0394 -2.16 -2.785 -0.9954 2075379 Maybridge3_000373 CC(=C)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A22 compound treatment 0.2 -0.047 -2.32 0.201 -0.0384 -2.1 -3.1304 -0.9988 2075380 Maybridge3_000374 Cn1nc(OC(C)(C)C(=O)O)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A23 mock treatment 0.212 -0.035 -1.73 0.217 -0.0224 -1.23 -2.091 -0.9858 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 A24 mock treatment 0.186 -0.061 -3.01 0.192 -0.0474 -2.6 -3.9682 -0.9973 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B01 compound treatment 0.209 -0.038 -1.88 0.213 -0.0264 -1.45 -2.3509 -0.9917 1206250 Maybridge3_000375 OC(=O)C1CC1C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B02 compound treatment 0.254 0.00696 0.34 0.256 0.0166 0.91 0.8876 0.9112 1921490 Maybridge3_000376 O=C(Nc1ccccc1)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B03 compound treatment 0.348 0.101 4.99 0.358 0.119 6.5 8.1244 0.9914 2075381 Maybridge3_000377 COc1ccc(cc1)/C(=C/c2cn[nH]c2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B04 compound treatment 0.252 0.00496 0.25 0.255 0.0156 0.86 0.779 0.8744 1002705 Maybridge3_000378 CC1(C)OC2OC(C(O)CO)C(O)C2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B05 compound treatment 0.267 0.02 0.99 0.268 0.0286 1.57 1.8067 0.9749 2075382 Maybridge3_000379 O/N=C/c1c[nH]c(n1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B06 compound treatment 0.251 0.00396 0.2 0.253 0.0136 0.75 0.6665 0.8633 1260437 Maybridge3_000380 O=C(N(c1ccccc1)c2ccccc2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B07 compound treatment 0.255 0.00796 0.39 0.261 0.0216 1.19 1.1163 0.8938 2075383 Maybridge3_000381 CCCc1cc(=O)c2ccc(OC/C(=N/O)/C)cc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B08 compound treatment 0.264 0.017 0.84 0.265 0.0256 1.4 1.5857 0.9695 1425483 Maybridge3_000382 CCC(=O)c1ccc(NC(=O)C)cc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B09 compound treatment 0.251 0.00396 0.2 0.254 0.0146 0.8 0.7053 0.8547 1184940 Maybridge3_000383 OCc1cc(=O)c(OCc2ccccc2)c[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B10 compound treatment 0.68 0.433 21.38 0.619 0.38 20.81 29.8363 0.9999 2075384 Maybridge3_000384 CSC1=N/C(=C/c2cccs2)/C(=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B11 compound treatment 0.254 0.00696 0.34 0.254 0.0146 0.8 0.81 0.9286 1153981 Maybridge3_000385 CC(O)c1ccccc1c2ccccc2C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B12 compound treatment 0.257 0.00996 0.49 0.252 0.0126 0.69 0.8372 0.986 1084431 Maybridge3_000386 CC1(CC1(Br)Br)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B13 compound treatment 0.26 0.013 0.64 0.268 0.0286 1.57 1.5623 0.9218 1452761 Maybridge3_000387 O=C(N1CCCCC1)c2cccc3C(=O)c4ccccc4-c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B14 compound treatment 0.268 0.021 1.04 0.266 0.0266 1.46 1.7641 0.9858 1006126 Maybridge3_000388 COC(=O)c1cccc2-c3ccccc3C(=O)c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B15 compound treatment 0.247 -3.57E-5 0.0 0.248 0.00862 0.47 0.333 0.7045 1691637 Maybridge3_000389 CCc1ccc(cc1)n2nnnc2c3cn[nH]c3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B16 compound treatment 0.262 0.015 0.74 0.263 0.0236 1.3 1.4383 0.9646 1020878 Maybridge3_000390 CNC(=O)Oc1cccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B17 compound treatment 0.26 0.013 0.64 0.263 0.0236 1.3 1.3685 0.9472 1294341 Maybridge3_000391 CCNC(=O)c1ccccc1Sc2ccccc2COC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B18 compound treatment 0.252 0.00496 0.25 0.253 0.0136 0.75 0.7014 0.8924 1016816 Maybridge3_000392 CC(=O)NC(CCc1ccccc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B19 compound treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 1511758 Maybridge3_000393 CC(=O)NCc1ccccc1S(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B20 compound treatment 0.251 0.00396 0.2 0.251 0.0116 0.64 0.589 0.8836 1461606 Maybridge3_000394 COc1ccc(cc1)N(C(=C)C2CC2)C(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B21 compound treatment 0.257 0.00996 0.49 0.254 0.0146 0.8 0.9148 0.9725 1115519 Maybridge3_000395 CSc1nc2nc(C)cc(O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B22 compound treatment 0.254 0.00696 0.34 0.252 0.0126 0.69 0.7325 0.9479 1178621 Maybridge3_000396 COn1c2CCCCc2c3c1ccc4nonc43 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B23 mock treatment 0.251 0.00396 0.2 0.254 0.0146 0.8 0.7053 0.8547 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 B24 mock treatment 0.238 -0.00904 -0.45 0.214 -0.0254 -1.39 -1.2995 -0.8892 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C01 compound treatment 0.223 -0.024 -1.19 0.227 -0.0124 -0.68 -1.3192 -0.9649 2075385 Maybridge3_000397 Cc1cc(C)n(n1)c2ccc(nn2)N3CCSCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C02 compound treatment 0.237 -0.01 -0.5 0.243 0.00362 0.2 -0.2101 -0.3935 2075386 Maybridge3_000398 CN(c1ccc(Br)cc1)c2nc(=O)c3cccnc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C03 compound treatment 0.237 -0.01 -0.5 0.238 -0.00138 -0.08 -0.4039 -0.8057 1582616 Maybridge3_000399 CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C04 compound treatment 0.238 -0.00904 -0.45 0.24 6.21E-4 0.03 -0.2914 -0.6513 2075387 Maybridge3_000400 Fc1ccc(cc1Cl)S(=O)(=O)/C=C/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C05 compound treatment 0.237 -0.01 -0.5 0.241 0.00162 0.09 -0.2876 -0.5712 1293762 Maybridge3_000401 Cc1cc(Oc2ncccc2C(=O)O)cc(C)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C06 compound treatment 0.255 0.00796 0.39 0.256 0.0166 0.91 0.9225 0.9294 2075388 Maybridge3_000402 Cc1ccc(NC(=O)OCCS(=O)(=O)c2ccc(cn2)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C07 compound treatment 0.313 0.066 3.26 0.298 0.0586 3.21 4.5761 1.0 2075389 Maybridge3_000403 O/N=C/Nc1ccccc1Sc2nc3cc(Cl)ccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C08 compound treatment 0.251 0.00396 0.2 0.253 0.0136 0.75 0.6665 0.8633 2075390 Maybridge3_000404 OC(=O)CSc1cccc(Cl)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C09 compound treatment 0.241 -0.00604 -0.3 0.241 0.00162 0.09 -0.1479 -0.4756 1053033 Maybridge3_000405 O=S(=O)(c1ccccc1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C10 compound treatment 0.243 -0.00404 -0.2 0.241 0.00162 0.09 -0.0781 -0.3578 1189912 Maybridge3_000406 COC(=O)CNC(=O)c1cccnc1Sc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C11 compound treatment 0.24 -0.00704 -0.35 0.241 0.00162 0.09 -0.1828 -0.5098 2075391 Maybridge3_000407 Clc1cc2ncc(nc2cc1Cl)c3ccn(c3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C12 compound treatment 0.248 9.64E-4 0.05 0.244 0.00462 0.25 0.2128 0.8256 1216248 Maybridge3_000408 OC(=O)CNC(=O)c1cccnc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C13 compound treatment 0.242 -0.00504 -0.25 0.245 0.00562 0.31 0.0421 0.1063 1597701 Maybridge3_000409 Cc1cccc(NC(=O)c2ccc(Cl)cc2N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C14 compound treatment 0.248 9.64E-4 0.05 0.243 0.00362 0.2 0.174 0.8525 2075392 Maybridge3_000410 CSc1nc(nc(SC)c1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C15 compound treatment 0.239 -0.00804 -0.4 0.238 -0.00138 -0.08 -0.3341 -0.827 1676336 Maybridge3_000411 CSc1nnc(SC)n1CCNC(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C16 compound treatment 0.256 0.00896 0.44 0.251 0.0116 0.64 0.7636 0.9842 2075393 Maybridge3_000412 CN(C)c1nc(nc(c1C#N)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C17 compound treatment 0.251 0.00396 0.2 0.249 0.00962 0.53 0.5114 0.9089 2075394 Maybridge3_000413 COc1ccc(cc1)n2cc(C#N)c(N)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C18 compound treatment 0.247 -3.57E-5 0.0 0.247 0.00762 0.42 0.2942 0.7041 2075395 Maybridge3_000414 CCOC(=O)c1c(C)c(C#N)c(n2cccc2)n1c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C19 compound treatment 0.242 -0.00504 -0.25 0.24 6.21E-4 0.03 -0.1518 -0.6047 2075396 Maybridge3_000415 OCCS(=O)(=O)c1ccc(cn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C20 compound treatment 0.242 -0.00504 -0.25 0.242 0.00262 0.14 -0.0742 -0.2585 1461156 Maybridge3_000416 COc1ccc(Sc2nc(C)c(cc2C#N)c3csc(C)n3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C21 compound treatment 0.233 -0.014 -0.69 0.233 -0.00638 -0.35 -0.7374 -0.9499 2075397 Maybridge3_000417 FC(F)(F)c1ccc(SCC(=O)c2cccc(c2)C(F)(F)F)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C22 compound treatment 0.24 -0.00704 -0.35 0.24 6.21E-4 0.03 -0.2216 -0.6348 2075398 Maybridge3_000418 Cn1nc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C23 mock treatment 0.24 -0.00704 -0.35 0.238 -0.00138 -0.08 -0.2991 -0.8413 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 C24 mock treatment 0.222 -0.025 -1.24 0.229 -0.0104 -0.57 -1.2766 -0.938 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D01 compound treatment 0.244 -0.00304 -0.15 0.238 -0.00138 -0.08 -0.1595 -0.9498 1536821 Maybridge3_000419 Nc1nc(cs1)c2ccc3NC(=O)CCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D02 compound treatment 0.253 0.00596 0.29 0.254 0.0146 0.8 0.7751 0.9076 2075399 Maybridge3_000420 OC(=O)/C(=C/C(=O)c1ccccc1)/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D03 compound treatment 0.278 0.031 1.53 0.281 0.0416 2.28 2.6949 0.981 2075400 Maybridge3_000421 COC(=O)/C(=C\Nc1ccc(Sc2ccc(Cl)cc2)nc1)/NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D04 compound treatment 0.252 0.00496 0.25 0.247 0.00762 0.42 0.4688 0.9677 1031898 Maybridge3_000422 CC1(C)OCC(O1)C(O)C(O)C2COC(C)(C)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D05 compound treatment 0.251 0.00396 0.2 0.252 0.0126 0.69 0.6277 0.8729 1325167 Maybridge3_000423 CN1C2CCC1CC(C2)NC(=O)c3c(F)cccc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D06 compound treatment 0.251 0.00396 0.2 0.247 0.00762 0.42 0.4339 0.9403 1092418 Maybridge3_000424 OCc1ccccc1Sc2ccccc2CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D07 compound treatment 0.271 0.024 1.18 0.273 0.0336 1.84 2.1403 0.977 1360357 Maybridge3_000425 Cc1cc(=O)oc2c(CC=C)c(O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D08 compound treatment 0.26 0.013 0.64 0.257 0.0176 0.97 1.1358 0.98 1038220 Maybridge3_000426 Oc1ccc(cc1)C(=O)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D09 compound treatment 0.251 0.00396 0.2 0.252 0.0126 0.69 0.6277 0.8729 2075401 Maybridge3_000427 COc1cccc(NC(=O)C(C)(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D10 compound treatment 0.28 0.033 1.63 0.272 0.0326 1.79 2.4158 0.9989 2075402 Maybridge3_000428 C/C(=C/1\N=C(OC1=O)c2ccccc2)/Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D11 compound treatment 0.288 0.041 2.02 0.292 0.0526 2.89 3.4705 0.9849 2075403 Maybridge3_000429 c1cc(sc1c2ccccn2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D12 compound treatment 0.252 0.00496 0.25 0.249 0.00962 0.53 0.5463 0.9392 2075404 Maybridge3_000430 CC(CC(=O)c1cccs1)C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D13 compound treatment 0.275 0.028 1.38 0.279 0.0396 2.17 2.5126 0.9761 1537471 Maybridge3_000431 Oc1c(Cc2ccccc2)c(=O)n3CCCc4cccc1c43 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D14 compound treatment 0.257 0.00996 0.49 0.248 0.00862 0.47 0.6822 0.9998 2075405 Maybridge3_000432 CC(C)OC(=O)c1cccc2-c3ccccc3C(=O)c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D15 compound treatment 0.248 9.64E-4 0.05 0.246 0.00662 0.36 0.2904 0.7931 2075406 Maybridge3_000433 Fc1ccc(cc1)C(=O)/C=C/S(=O)(=O)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D16 compound treatment 0.258 0.011 0.54 0.256 0.0166 0.91 1.0272 0.9691 2075407 Maybridge3_000434 CCCC(=O)Oc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D17 compound treatment 0.263 0.016 0.79 0.261 0.0216 1.19 1.3957 0.9804 1272565 Maybridge3_000435 CNC(=O)c1ccccc1Sc2ccc(Cl)cc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D18 compound treatment 0.273 0.026 1.28 0.253 0.0136 0.75 1.4347 0.9669 1116545 Maybridge3_000436 CC(N)C(=O)OCc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D19 compound treatment 0.251 0.00396 0.2 0.251 0.0116 0.64 0.589 0.8836 1407680 Maybridge3_000437 OCCc1ccccc1S(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D20 compound treatment 0.286 0.039 1.92 0.286 0.0466 2.56 3.1681 0.9902 1488771 Maybridge3_000438 Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D21 compound treatment 0.253 0.00596 0.29 0.249 0.00962 0.53 0.5813 0.9621 1095526 Maybridge3_000439 OC1C=COC2COC(OC12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D22 compound treatment 0.248 9.64E-4 0.05 0.249 0.00962 0.53 0.4067 0.7678 2075408 Maybridge3_000440 CC1(C)NC(C)(C)C(=C1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D23 mock treatment 0.251 0.00396 0.2 0.248 0.00862 0.47 0.4727 0.9239 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 D24 mock treatment 0.242 -0.00504 -0.25 0.217 -0.0224 -1.23 -1.0435 -0.8335 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E01 compound treatment 0.239 -0.00804 -0.4 0.247 0.00762 0.42 0.0149 0.0258 1396970 Maybridge3_000441 CC1CCN(CC1)c2ccc(nn2)n3nc(C)cc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E02 compound treatment 0.262 0.015 0.74 0.262 0.0226 1.24 1.3995 0.9694 2075409 Maybridge3_000442 O=C(CSc1ssc(=S)c1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E03 compound treatment 0.256 0.00896 0.44 0.257 0.0176 0.97 0.9962 0.9374 1322883 Maybridge3_000443 CC(Sc1ncccc1C(=O)O)c2cc(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E04 compound treatment 0.263 0.016 0.79 0.268 0.0286 1.57 1.6671 0.9493 1644141 Maybridge3_000444 CN(C)C=C=C(O)c1ccccc1C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E05 compound treatment 0.272 0.025 1.23 0.278 0.0386 2.12 2.369 0.9669 2075410 Maybridge3_000445 CCCc1cc(O)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E06 compound treatment 0.253 0.00596 0.29 0.254 0.0146 0.8 0.7751 0.9076 2075411 Maybridge3_000446 CC(=O)OCCS(=O)(=O)c1ccc(cn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E07 compound treatment 0.254 0.00696 0.34 0.256 0.0166 0.91 0.8876 0.9112 2075412 Maybridge3_000447 Cc1cc(=O)oc2n(C)nc(c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E08 compound treatment 0.263 0.016 0.79 0.266 0.0266 1.46 1.5895 0.9582 1691409 Maybridge3_000448 COC(=O)CNC(=O)c1cccnc1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E09 compound treatment 0.257 0.00996 0.49 0.261 0.0216 1.19 1.1862 0.9242 1455911 Maybridge3_000449 Cc1nn(nc1C(=O)Oc2ccc(CC#N)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E10 compound treatment 0.255 0.00796 0.39 0.257 0.0176 0.97 0.9613 0.9215 1176197 Maybridge3_000450 COC(=O)CNC(=O)c1cccnc1Oc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E11 compound treatment 0.253 0.00596 0.29 0.25 0.0106 0.58 0.62 0.9501 2075413 Maybridge3_000451 Cc1ccc(Sc2ccc(N)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E12 compound treatment 0.248 9.64E-4 0.05 0.248 0.00862 0.47 0.3679 0.7744 2075414 Maybridge3_000452 Cc1cc(OCC(=O)c2ccc(cc2)C(F)(F)F)n3cnnc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E13 compound treatment 0.254 0.00696 0.34 0.258 0.0186 1.02 0.9651 0.8958 1231742 Maybridge3_000453 N#CCc1cccc(OCc2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E14 compound treatment 0.26 0.013 0.64 0.256 0.0166 0.91 1.0971 0.9851 2075415 Maybridge3_000454 CSc1nc(nc(Nc2ccccc2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E15 compound treatment 0.256 0.00896 0.44 0.258 0.0186 1.02 1.0349 0.93 1386414 Maybridge3_000455 CSc1nnc(SC)n1CCNS(=O)(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E16 compound treatment 0.261 0.014 0.69 0.257 0.0176 0.97 1.1708 0.9863 2075416 Maybridge3_000456 Clc1ccc(SCCOC(=O)c2cccc(Cl)c2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E17 compound treatment 0.311 0.064 3.16 0.309 0.0696 3.82 4.9327 0.9956 2075417 Maybridge3_000457 Cc1cc(ccc1Cl)c2csc(=S)n2Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E18 compound treatment 0.25 0.00296 0.15 0.252 0.0126 0.69 0.5928 0.8381 2075418 Maybridge3_000458 Cc1cc(cc(n1)S(=O)(=O)CCOC(=O)c2cccc(Cl)c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E19 compound treatment 0.253 0.00596 0.29 0.25 0.0106 0.58 0.62 0.9501 2075419 Maybridge3_000459 N/C(=N\O)/CC(=O)Nc1ccc(F)c(F)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E20 compound treatment 0.284 0.037 1.83 0.27 0.0306 1.68 2.4779 0.9991 1540377 Maybridge3_000460 O=C(CSc1ccccc1)c2ccc3NC(=O)CCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E21 compound treatment 0.282 0.035 1.73 0.28 0.0406 2.23 2.7958 0.9921 2075420 Maybridge3_000461 CSC1=C(C(=SS1)SC)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E22 compound treatment 0.252 0.00496 0.25 0.253 0.0136 0.75 0.7014 0.8924 2075421 Maybridge3_000462 Cn1nc(OCC(=O)O)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E23 mock treatment 0.25 0.00296 0.15 0.248 0.00862 0.47 0.4377 0.8846 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 E24 mock treatment 0.246 -0.00104 -0.05 0.228 -0.0114 -0.62 -0.4773 -0.7625 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F01 compound treatment 0.257 0.00996 0.49 0.259 0.0196 1.08 1.1086 0.9372 2075422 Maybridge3_000463 O/N=C/Nc1nc(cs1)c2ccc3NC(=O)CCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F02 compound treatment 0.256 0.00896 0.44 0.256 0.0166 0.91 0.9574 0.945 1508220 Maybridge3_000464 Oc1c(c2ccccc2)c(=O)[nH]c3cc(F)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F03 compound treatment 0.271 0.024 1.18 0.267 0.0276 1.51 1.9077 0.9926 2075423 Maybridge3_000465 FC(F)(F)c1cc(Br)c2[nH]c(=O)c(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F04 compound treatment 0.258 0.011 0.54 0.254 0.0146 0.8 0.9497 0.9817 2075424 Maybridge3_000466 CC(C)SC1OC(CO)C(O)C(O)C1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F05 compound treatment 0.254 0.00696 0.34 0.258 0.0186 1.02 0.9651 0.8958 1273132 Maybridge3_000467 COc1ccccc1CC(=O)NC2CC3CCC(C2)N3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F06 compound treatment 0.257 0.00996 0.49 0.257 0.0176 0.97 1.0311 0.951 2075425 Maybridge3_000468 CC(=O)Nc1ccccc1OCCOc2ccccc2NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F07 compound treatment 0.258 0.011 0.54 0.264 0.0246 1.35 1.3374 0.9195 1315554 Maybridge3_000469 CCCc1cc(=O)c2c(O)cccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F08 compound treatment 0.261 0.014 0.69 0.268 0.0286 1.57 1.5972 0.9318 1133392 Maybridge3_000470 O=c1c(Cc2ccccc2)coc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F09 compound treatment 0.259 0.012 0.59 0.251 0.0116 0.64 0.8683 0.9993 1004558 Maybridge3_000471 CN(C)C(c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F10 compound treatment 0.256 0.00896 0.44 0.26 0.0206 1.13 1.1125 0.9162 2075426 Maybridge3_000472 CC1CCCC1/C(=N/O)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F11 compound treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 1635865 Maybridge3_000473 OC(=O)CCCc1ccc2OCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F12 compound treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 1600318 Maybridge3_000474 CCOC(=O)COc1ccccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F13 compound treatment 0.258 0.011 0.54 0.266 0.0266 1.46 1.4149 0.9089 1026021 Maybridge3_000475 Cc1nc2ccccc2c(=O)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F14 compound treatment 0.257 0.00996 0.49 0.257 0.0176 0.97 1.0311 0.951 1081820 Maybridge3_000476 CC(C)NC(=O)Oc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F15 compound treatment 0.262 0.015 0.74 0.258 0.0186 1.02 1.2445 0.9874 1476519 Maybridge3_000477 CNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F16 compound treatment 0.268 0.021 1.04 0.263 0.0236 1.3 1.6478 0.9938 1494580 Maybridge3_000478 Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F17 compound treatment 0.265 0.018 0.89 0.264 0.0246 1.35 1.5818 0.9793 1725347 Maybridge3_000479 OC(=O)CCSc1ccccc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F18 compound treatment 0.297 0.05 2.47 0.267 0.0276 1.51 2.8155 0.9725 1051989 Maybridge3_000480 Fc1ccc(cc1)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F19 compound treatment 0.259 0.012 0.59 0.262 0.0226 1.24 1.2948 0.9425 1534976 Maybridge3_000481 CC(=O)N1Cc2ccccc2S31OC(=O)c4ccccc43 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F20 compound treatment 0.256 0.00896 0.44 0.254 0.0146 0.8 0.8799 0.9608 1570526 Maybridge3_000482 COC(=O)C1=C(N)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F21 compound treatment 0.259 0.012 0.59 0.256 0.0166 0.91 1.0622 0.978 2075427 Maybridge3_000483 CC(=O)NC(c1ccc(Cl)cc1)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F22 compound treatment 0.256 0.00896 0.44 0.253 0.0136 0.75 0.8411 0.9688 1077803 Maybridge3_000484 COc1cc(CC(=O)O)ccc1OCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F23 mock treatment 0.252 0.00496 0.25 0.254 0.0146 0.8 0.7402 0.883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 F24 mock treatment 0.254 0.00696 0.34 0.222 -0.0174 -0.95 -0.4306 -0.4251 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G01 compound treatment 0.242 -0.00504 -0.25 0.232 -0.00738 -0.4 -0.4619 -0.9727 2075428 Maybridge3_000485 CC1CN(CC(C)O1)c2ccc(nn2)n3nc(C)cc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G02 compound treatment 0.259 0.012 0.59 0.25 0.0106 0.58 0.8295 1.0 2075429 Maybridge3_000486 Cc1cc(ccc1Cl)C(=O)CSc2c(F)c(F)c(C(=O)O)c(F)c2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G03 compound treatment 0.248 9.64E-4 0.05 0.25 0.0106 0.58 0.4454 0.7624 1376755 Maybridge3_000487 CSc1ncccc1C(=O)NC(C)(C#N)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G04 compound treatment 0.26 0.013 0.64 0.263 0.0236 1.3 1.3685 0.9472 1363604 Maybridge3_000488 Nc1ncccc1OCc2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G05 compound treatment 0.247 -3.57E-5 0.0 0.247 0.00762 0.42 0.2942 0.7041 2075430 Maybridge3_000489 FC(F)(F)c1cccc(c1)C(=O)Nc2ccccc2C(=O)NC3CCCCNC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G06 compound treatment 0.258 0.011 0.54 0.254 0.0146 0.8 0.9497 0.9817 1142600 Maybridge3_000490 CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc3cncc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G07 compound treatment 0.275 0.028 1.38 0.271 0.0316 1.73 2.2024 0.9936 2075431 Maybridge3_000491 NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cccs3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G08 compound treatment 0.256 0.00896 0.44 0.267 0.0276 1.51 1.3839 0.8771 1303519 Maybridge3_000492 OC(=O)CNC(=O)c1cccnc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G09 compound treatment 0.284 0.037 1.83 0.285 0.0456 2.5 3.0595 0.988 1181739 Maybridge3_000493 Clc1c(sc2ccccc12)C(=O)Oc3ccc(CC#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G10 compound treatment 0.25 0.00296 0.15 0.251 0.0116 0.64 0.554 0.8475 1627842 Maybridge3_000494 COC(=O)CNC(=O)c1cccnc1Oc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G11 compound treatment 0.256 0.00896 0.44 0.255 0.0156 0.86 0.9186 0.9528 1548800 Maybridge3_000495 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(Oc3cccnc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G12 compound treatment 0.264 0.017 0.84 0.261 0.0216 1.19 1.4306 0.9855 2075432 Maybridge3_000496 OC(=O)CNC(=O)c1ccccc1N(CC=C)C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G13 compound treatment 0.251 0.00396 0.2 0.261 0.0216 1.19 0.9767 0.8129 1461087 Maybridge3_000497 Cc1ccc(C)n1c2ncccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G14 compound treatment 0.263 0.016 0.79 0.257 0.0176 0.97 1.2406 0.9949 2075433 Maybridge3_000498 CSc1nc(C)nc(Nc2ccccc2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G15 compound treatment 0.251 0.00396 0.2 0.253 0.0136 0.75 0.6665 0.8633 1218801 Maybridge3_000499 CCSc1ncccc1C(=O)Oc2cc(C)nn2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G16 compound treatment 0.28 0.033 1.63 0.272 0.0326 1.79 2.4158 0.9989 2075434 Maybridge3_000500 CN(C)c1nc(nc(Nc2cccc(c2)C(F)(F)F)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G17 compound treatment 0.284 0.037 1.83 0.279 0.0396 2.17 2.8268 0.9963 2075435 Maybridge3_000501 FC(F)(F)c1ccc(cc1)C(=O)Oc2cccc3[nH]ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G18 compound treatment 0.276 0.029 1.43 0.277 0.0376 2.06 2.4699 0.984 1668703 Maybridge3_000502 CCOC(=O)c1c(C)c(C#N)c(NC(=O)C(C)(C)C)n1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G19 compound treatment 0.253 0.00596 0.29 0.253 0.0136 0.75 0.7363 0.9172 2075436 Maybridge3_000503 O/N=C/Nc1ncc(cc1Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G20 compound treatment 0.254 0.00696 0.34 0.25 0.0106 0.58 0.6549 0.9684 1419348 Maybridge3_000504 CC(C)(C)SCC(=O)c1ccc2NC(=O)CCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G21 compound treatment 0.248 9.64E-4 0.05 0.242 0.00262 0.14 0.1353 0.8936 2075437 Maybridge3_000505 CS(=O)(=O)N(Cc1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G22 compound treatment 0.247 -3.57E-5 0.0 0.249 0.00962 0.53 0.3718 0.7047 2075438 Maybridge3_000506 Cn1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G23 mock treatment 0.248 9.64E-4 0.05 0.246 0.00662 0.36 0.2904 0.7931 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 G24 mock treatment 0.249 0.00196 0.1 0.23 -0.00938 -0.51 -0.2951 -0.5638 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H01 compound treatment 0.247 -3.57E-5 0.0 0.235 -0.00438 -0.24 -0.171 -0.7123 1528340 Maybridge3_000507 OCc1ccc(OCc2ccc(F)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H02 compound treatment 0.254 0.00696 0.34 0.252 0.0126 0.69 0.7325 0.9479 1058115 Maybridge3_000508 C(N1CCCCC1)n2c3ccccc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H03 compound treatment 0.256 0.00896 0.44 0.251 0.0116 0.64 0.7636 0.9842 1676832 Maybridge3_000509 OC(=O)CC(C(=O)NCc1ccccc1)C2=CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H04 compound treatment 0.252 0.00496 0.25 0.255 0.0156 0.86 0.779 0.8744 1087972 Maybridge3_000510 OCC1OC(Sc2ccccc2)C(O)C(O)C1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H05 compound treatment 0.259 0.012 0.59 0.252 0.0126 0.69 0.9071 0.9969 1066281 Maybridge3_000511 c1ccc(cc1)c2cccc(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H06 compound treatment 0.251 0.00396 0.2 0.255 0.0156 0.86 0.744 0.8469 2075439 Maybridge3_000512 CC1(C)SC(NC1C(=O)O)c2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H07 compound treatment 0.261 0.014 0.69 0.258 0.0186 1.02 1.2095 0.9817 1255440 Maybridge3_000513 CCCc1cc(=O)c2c(O)ccc(OC)c2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H08 compound treatment 0.257 0.00996 0.49 0.26 0.0206 1.13 1.1474 0.9305 1220272 Maybridge3_000514 O=C1C(COc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H09 compound treatment 0.255 0.00796 0.39 0.255 0.0156 0.86 0.8837 0.9377 1740369 Maybridge3_000515 OCC1c2ccccc2Oc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H10 compound treatment 0.259 0.012 0.59 0.253 0.0136 0.75 0.9458 0.9933 1408710 Maybridge3_000516 COC(=O)C(CO)NS(=O)(=O)c1ccc(C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H11 compound treatment 0.283 0.036 1.78 0.272 0.0326 1.79 2.5205 1.0 1524491 Maybridge3_000517 CC(=O)Nc1ccc-2c(CCc3ccccc32)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H12 compound treatment 0.252 0.00496 0.25 0.249 0.00962 0.53 0.5463 0.9392 2075440 Maybridge3_000518 CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H13 compound treatment 0.252 0.00496 0.25 0.262 0.0226 1.24 1.0504 0.8308 1072271 Maybridge3_000519 CC(=O)Nc1ccc(CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H14 compound treatment 0.252 0.00496 0.25 0.254 0.0146 0.8 0.7402 0.883 1064797 Maybridge3_000520 O=C(NC1CCCCC1)Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H15 compound treatment 0.26 0.013 0.64 0.254 0.0146 0.8 1.0195 0.9938 1330529 Maybridge3_000521 CNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)OC)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H16 compound treatment 0.254 0.00696 0.34 0.251 0.0116 0.64 0.6937 0.9581 1425252 Maybridge3_000522 Cc1nnsc1C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H17 compound treatment 0.262 0.015 0.74 0.263 0.0236 1.3 1.4383 0.9646 1731122 Maybridge3_000523 CCOC(=O)c1ccccc1Sc2ccccc2C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H18 compound treatment 0.308 0.061 3.01 0.305 0.0656 3.6 4.6729 0.9961 2075441 Maybridge3_000524 NC1=C(C#N)C(C(=C(N)S1)C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H19 compound treatment 0.259 0.012 0.59 0.253 0.0136 0.75 0.9458 0.9933 2075442 Maybridge3_000525 CN1[S+](c2ccccc2C(=O)O)c3cccc4cccc(C1=O)c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H20 compound treatment 0.249 0.00196 0.1 0.255 0.0156 0.86 0.6742 0.7822 1741501 Maybridge3_000526 OC(=O)c1ncccc1C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H21 compound treatment 0.257 0.00996 0.49 0.254 0.0146 0.8 0.9148 0.9725 1081833 Maybridge3_000527 COC(=S)Nc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H22 compound treatment 0.256 0.00896 0.44 0.255 0.0156 0.86 0.9186 0.9528 1016602 Maybridge3_000528 C1CN(CCO1)c2cc(nc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H23 mock treatment 0.26 0.013 0.64 0.254 0.0146 0.8 1.0195 0.9938 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 H24 mock treatment 0.243 -0.00404 -0.2 0.239 -3.79E-4 -0.02 -0.1556 -0.7767 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I01 compound treatment 0.242 -0.00504 -0.25 0.235 -0.00438 -0.24 -0.3456 -0.9998 2075443 Maybridge3_000529 Cc1cc(C)n(n1)c2ccc(SCc3ccc(Cl)cc3)nn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I02 compound treatment 0.299 0.052 2.57 0.301 0.0616 3.38 4.2035 0.9908 2075444 Maybridge3_000530 FC(F)(F)Oc1ccc(N/C=C(\C#N)/c2nc3ccccc3[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I03 compound treatment 0.288 0.041 2.02 0.29 0.0506 2.78 3.393 0.9879 2075445 Maybridge3_000531 Cc1cc(SCc2n[nH]c3oc(=O)cc(C)c23)c(C)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I04 compound treatment 0.252 0.00496 0.25 0.253 0.0136 0.75 0.7014 0.8924 2075446 Maybridge3_000532 COC(=O)CSc1nnc(SC)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I05 compound treatment 0.254 0.00696 0.34 0.251 0.0116 0.64 0.6937 0.9581 1695135 Maybridge3_000533 CCCc1cc(OC(=O)c2cccnc2Oc3ccccc3)n(C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I06 compound treatment 0.256 0.00896 0.44 0.252 0.0126 0.69 0.8023 0.9767 1325490 Maybridge3_000534 COc1ccc(Oc2ccc(NC(=O)Cc3cccs3)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I07 compound treatment 0.251 0.00396 0.2 0.246 0.00662 0.36 0.3951 0.958 1625906 Maybridge3_000535 Clc1ccc(Cl)c(Oc2ccccc2NC(=O)CC#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I08 compound treatment 0.261 0.014 0.69 0.264 0.0246 1.35 1.4422 0.9514 2075447 Maybridge3_000536 OC(=O)CSc1ccc(F)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I09 compound treatment 0.257 0.00996 0.49 0.262 0.0226 1.24 1.2249 0.918 2075448 Maybridge3_000537 Clc1ccc(OC(=O)NC(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I10 compound treatment 0.255 0.00796 0.39 0.259 0.0196 1.08 1.0388 0.9069 1187652 Maybridge3_000538 COc1ccc(OC)c(SCC(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I11 compound treatment 0.264 0.017 0.84 0.26 0.0206 1.13 1.3918 0.9891 2075449 Maybridge3_000539 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(Oc3cccnc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I12 compound treatment 0.264 0.017 0.84 0.261 0.0216 1.19 1.4306 0.9855 2075450 Maybridge3_000540 CSc1nc(C)[nH]c(=O)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I13 compound treatment 0.282 0.035 1.73 0.282 0.0426 2.34 2.8733 0.9889 2075451 Maybridge3_000541 Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I14 compound treatment 0.268 0.021 1.04 0.268 0.0286 1.57 1.8417 0.9796 2075452 Maybridge3_000542 Clc1cccc(c1)C(=O)OCCSc2ncccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I15 compound treatment 0.25 0.00296 0.15 0.248 0.00862 0.47 0.4377 0.8846 2075453 Maybridge3_000543 Cc1cc(OC(=O)c2ccccc2)n(n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I16 compound treatment 0.263 0.016 0.79 0.256 0.0166 0.91 1.2018 0.9974 2075454 Maybridge3_000544 CSc1nc(C)nc(N(C)C)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I17 compound treatment 0.26 0.013 0.64 0.263 0.0236 1.3 1.3685 0.9472 1382015 Maybridge3_000545 Cc1ccc(cc1)C(=O)Oc2cccc3[nH]ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I18 compound treatment 0.262 0.015 0.74 0.262 0.0226 1.24 1.3995 0.9694 1277053 Maybridge3_000546 NC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I19 compound treatment 0.265 0.018 0.89 0.256 0.0166 0.91 1.2717 0.9999 2075455 Maybridge3_000547 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I20 compound treatment 0.28 0.033 1.63 0.267 0.0276 1.51 2.2219 0.9993 1327270 Maybridge3_000548 Cc1nc(cs1)c2cc(C#N)c(NCc3ccccc3)nc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I21 compound treatment 0.259 0.012 0.59 0.258 0.0186 1.02 1.1397 0.9662 2075456 Maybridge3_000549 FC(F)(F)c1ccc(nc1)S(=O)(=O)CC(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I22 compound treatment 0.259 0.012 0.59 0.26 0.0206 1.13 1.2172 0.9542 2075457 Maybridge3_000550 Cn1nc(OCC(=O)NC(C)(C)C)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I23 mock treatment 0.254 0.00696 0.34 0.255 0.0156 0.86 0.8488 0.9197 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 I24 mock treatment 0.251 0.00396 0.2 0.256 0.0166 0.91 0.7828 0.8398 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J01 compound treatment 0.244 -0.00304 -0.15 0.228 -0.0114 -0.62 -0.5472 -0.8527 1256256 Maybridge3_000551 Cc1cc(Cl)ccc1Oc2ncccc2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J02 compound treatment 0.247 -3.57E-5 0.0 0.247 0.00762 0.42 0.2942 0.7041 2075458 Maybridge3_000552 CC(C)n1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J03 compound treatment 0.247 -3.57E-5 0.0 0.252 0.0126 0.69 0.4881 0.7053 1244194 Maybridge3_000553 CC(=CC(=O)ON1C(=O)C2C3OC(C=C3)C2C1=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J04 compound treatment 0.27 0.023 1.13 0.266 0.0266 1.46 1.834 0.9922 2075459 Maybridge3_000554 COc1ccc(cc1)C(=O)/C=C/Nc2ccccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J05 compound treatment 0.256 0.00896 0.44 0.258 0.0186 1.02 1.0349 0.93 2075460 Maybridge3_000555 COc1cc(CCC(C)NCc2ccccc2)ccc1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J06 compound treatment 0.257 0.00996 0.49 0.252 0.0126 0.69 0.8372 0.986 2075461 Maybridge3_000556 c1ccc(cc1)c2cccnn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J07 compound treatment 0.289 0.042 2.07 0.294 0.0546 2.99 3.583 0.9838 1553196 Maybridge3_000557 CCCc1c(N)ccc2c(=O)cc(oc12)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J08 compound treatment 0.255 0.00796 0.39 0.255 0.0156 0.86 0.8837 0.9377 1607994 Maybridge3_000558 COc1ccccc1c2coc3ccccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J09 compound treatment 0.237 -0.01 -0.5 0.24 6.21E-4 0.03 -0.3264 -0.657 1541139 Maybridge3_000559 O=C(Oc1cccnc1)C2c3ccccc3Oc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J10 compound treatment 0.252 0.00496 0.25 0.247 0.00762 0.42 0.4688 0.9677 1002178 Maybridge3_000560 CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J11 compound treatment 0.252 0.00496 0.25 0.251 0.0116 0.64 0.6239 0.9139 2075462 Maybridge3_000561 COC(=O)Cc1nc(oc1C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J12 compound treatment 0.254 0.00696 0.34 0.249 0.00962 0.53 0.6162 0.9785 2075463 Maybridge3_000562 Cc1ccc(SC#N)c(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J13 compound treatment 0.262 0.015 0.74 0.259 0.0196 1.08 1.2832 0.9832 2075464 Maybridge3_000563 c1ccc(cc1)c2cnc(nc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J14 compound treatment 0.256 0.00896 0.44 0.254 0.0146 0.8 0.8799 0.9608 1019721 Maybridge3_000564 COc1ccc(NC(=O)Oc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J15 compound treatment 0.257 0.00996 0.49 0.258 0.0186 1.02 1.0699 0.944 1367336 Maybridge3_000565 CNC(=O)c1ccccc1Sc2cccc3cccc(COC(=O)C)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J16 compound treatment 0.253 0.00596 0.29 0.25 0.0106 0.58 0.62 0.9501 1164670 Maybridge3_000566 Cc1[nH]c2ccccc2c1CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J17 compound treatment 0.257 0.00996 0.49 0.263 0.0236 1.3 1.2637 0.9121 1265803 Maybridge3_000567 OCc1cccc2cccc(S(=O)c3ccccc3C(=O)O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J18 compound treatment 0.252 0.00496 0.25 0.252 0.0126 0.69 0.6627 0.9026 2075465 Maybridge3_000568 CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J19 compound treatment 0.255 0.00796 0.39 0.256 0.0166 0.91 0.9225 0.9294 1431098 Maybridge3_000569 CC(=O)NC(=O)c1cccc2cccc(I)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J20 compound treatment 0.264 0.017 0.84 0.262 0.0226 1.24 1.4694 0.9817 1588875 Maybridge3_000570 Oc1ccc2OC(CC(=O)c2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J21 compound treatment 0.265 0.018 0.89 0.258 0.0186 1.02 1.3492 0.9975 1462691 Maybridge3_000571 Oc1ccccc1N2C(=O)c3cccc4cccc(C2=O)c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J22 compound treatment 0.259 0.012 0.59 0.259 0.0196 1.08 1.1785 0.9602 1610135 Maybridge3_000572 CN(C)CCNc1cc(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J23 mock treatment 0.25 0.00296 0.15 0.248 0.00862 0.47 0.4377 0.8846 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 J24 mock treatment 0.242 -0.00504 -0.25 0.243 0.00362 0.2 -0.0355 -0.1114 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K01 compound treatment 0.244 -0.00304 -0.15 0.23 -0.00938 -0.51 -0.4696 -0.8767 2075466 Maybridge3_000573 Cc1cc(C)n(n1)c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K02 compound treatment 0.286 0.039 1.92 0.288 0.0486 2.67 3.2456 0.9872 2075467 Maybridge3_000574 FC(F)(F)c1cccc(N/C=C(\C#N)/c2nc3ccccc3[nH]2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K03 compound treatment 0.25 0.00296 0.15 0.25 0.0106 0.58 0.5153 0.8582 1376910 Maybridge3_000575 Cc1cc(=O)oc2n(nc(c3ccccc3)c12)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K04 compound treatment 0.257 0.00996 0.49 0.257 0.0176 0.97 1.0311 0.951 2075468 Maybridge3_000576 FC(F)(F)c1ccc(cc1)C(=O)OCCS(=O)(=O)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K05 compound treatment 0.257 0.00996 0.49 0.254 0.0146 0.8 0.9148 0.9725 1638249 Maybridge3_000577 Cc1cc(C)n(n1)c2ccc(cc2)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K06 compound treatment 0.261 0.014 0.69 0.255 0.0156 0.86 1.0932 0.9942 1231832 Maybridge3_000578 Clc1cc(Cl)cc(CNC(=O)Cc2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K07 compound treatment 0.253 0.00596 0.29 0.248 0.00862 0.47 0.5425 0.9741 2075469 Maybridge3_000579 CSc1ncccc1C(=O)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K08 compound treatment 0.264 0.017 0.84 0.253 0.0136 0.75 1.1204 0.9984 2075470 Maybridge3_000580 OC(=O)CSc1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K09 compound treatment 0.255 0.00796 0.39 0.254 0.0146 0.8 0.8449 0.9463 2075471 Maybridge3_000581 Fc1cccc(F)c1OC(=O)NC(=O)c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K10 compound treatment 0.246 -0.00104 -0.05 0.247 0.00762 0.42 0.2593 0.616 2075472 Maybridge3_000582 Cc1cc(OCC(=O)c2cccc(c2)C(F)(F)F)n3cnnc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K11 compound treatment 0.265 0.018 0.89 0.259 0.0196 1.08 1.388 0.9954 2075473 Maybridge3_000583 Clc1ccc(cc1)C(=O)Nc2ccc(Oc3cccnc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K12 compound treatment 0.26 0.013 0.64 0.26 0.0206 1.13 1.2522 0.9637 2075474 Maybridge3_000584 COC(=O)CSc1nc(C)nc(SC)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K13 compound treatment 0.252 0.00496 0.25 0.242 0.00262 0.14 0.2749 0.9676 2075475 Maybridge3_000585 Clc1cncc(OC(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K14 compound treatment 0.249 0.00196 0.1 0.248 0.00862 0.47 0.4028 0.8348 2075476 Maybridge3_000586 FC(F)(F)c1cccnc1S(=O)(=O)CCOC(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K15 compound treatment 0.252 0.00496 0.25 0.253 0.0136 0.75 0.7014 0.8924 1399454 Maybridge3_000587 COC(=O)c1c(OC)ccc(c1OC)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K16 compound treatment 0.26 0.013 0.64 0.257 0.0176 0.97 1.1358 0.98 2075477 Maybridge3_000588 COC(=O)C(C)(C)S(=O)(=O)c1ccc(cn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K17 compound treatment 0.25 0.00296 0.15 0.254 0.0146 0.8 0.6704 0.8226 1203424 Maybridge3_000589 Fc1cccc(F)c1C(=O)Oc2cccc3[nH]ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K18 compound treatment 0.247 -3.57E-5 0.0 0.254 0.0146 0.8 0.5656 0.7055 1414362 Maybridge3_000590 CC(=O)Nc1cc(C)ccc1OC(C)(C)C(=O)OC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K19 compound treatment 0.252 0.00496 0.25 0.251 0.0116 0.64 0.6239 0.9139 2075478 Maybridge3_000591 Nc1cccnc1Oc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K20 compound treatment 0.283 0.036 1.78 0.278 0.0386 2.12 2.7531 0.9962 1605002 Maybridge3_000592 CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(C)c2C)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K21 compound treatment 0.239 -0.00804 -0.4 0.241 0.00162 0.09 -0.2178 -0.5355 2075479 Maybridge3_000593 FC(F)(F)c1cccc(c1)S(=O)(=O)N(CCC#N)Cc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K22 compound treatment 0.256 0.00896 0.44 0.255 0.0156 0.86 0.9186 0.9528 2075480 Maybridge3_000594 CN(C)C(=O)C(C)(C)Oc1cc(n(C)n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K23 mock treatment 0.251 0.00396 0.2 0.249 0.00962 0.53 0.5114 0.9089 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 K24 mock treatment 0.249 0.00196 0.1 0.236 -0.00338 -0.19 -0.0624 -0.2985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L01 compound treatment 0.25 0.00296 0.15 0.24 6.21E-4 0.03 0.1276 0.8489 1636894 Maybridge3_000595 Cc1nc(c(o1)c2ccccc2)c3ccc(NC(=O)C(C)(C)C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L02 compound treatment 0.254 0.00696 0.34 0.254 0.0146 0.8 0.81 0.9286 1057689 Maybridge3_000596 OCn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L03 compound treatment 0.25 0.00296 0.15 0.249 0.00962 0.53 0.4765 0.8704 1250886 Maybridge3_000597 Clc1ccc(s1)C(=O)ON2C(=O)C3C4OC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L04 compound treatment 0.259 0.012 0.59 0.261 0.0216 1.19 1.256 0.9483 1337528 Maybridge3_000598 CCSc1ncc(c2nnnn2c3ccccc3)c(n1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L05 compound treatment 0.254 0.00696 0.34 0.252 0.0126 0.69 0.7325 0.9479 2075481 Maybridge3_000599 Cc1oc(nc1CCO)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L06 compound treatment 0.255 0.00796 0.39 0.257 0.0176 0.97 0.9613 0.9215 1416638 Maybridge3_000600 CCCCn1c(=O)cc(O)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L07 compound treatment 0.253 0.00596 0.29 0.255 0.0156 0.86 0.8139 0.8986 1179929 Maybridge3_000601 COc1ccc(OCCN)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L08 compound treatment 0.258 0.011 0.54 0.26 0.0206 1.13 1.1823 0.9432 2075482 Maybridge3_000602 COc1ccc(cc1)c2coc3ccccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L09 compound treatment 0.254 0.00696 0.34 0.256 0.0166 0.91 0.8876 0.9112 1077052 Maybridge3_000603 O=C(C(SC#N)c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L10 compound treatment 0.254 0.00696 0.34 0.251 0.0116 0.64 0.6937 0.9581 1077090 Maybridge3_000604 OC(=O)C1CC2CCC1C=C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L11 compound treatment 0.258 0.011 0.54 0.255 0.0156 0.86 0.9885 0.9755 2075483 Maybridge3_000605 O=C(CCC(=O)c1ccccc1)OCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L12 compound treatment 0.252 0.00496 0.25 0.25 0.0106 0.58 0.5851 0.9261 2075484 Maybridge3_000606 O=c1ccc(no1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L13 compound treatment 0.262 0.015 0.74 0.26 0.0206 1.13 1.322 0.9788 1703544 Maybridge3_000607 O=c1[nH]c2ccccc2c3oc(nc13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L14 compound treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 2075485 Maybridge3_000608 Clc1ccc(OC(=O)NCCc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L15 compound treatment 0.257 0.00996 0.49 0.259 0.0196 1.08 1.1086 0.9372 1337655 Maybridge3_000609 CNC(=O)c1ccccc1Sc2cccc3cccc(C(=O)NC)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L16 compound treatment 0.258 0.011 0.54 0.25 0.0106 0.58 0.7946 0.9993 2075486 Maybridge3_000610 CSC(=S)Nc1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L17 compound treatment 0.267 0.02 0.99 0.265 0.0256 1.4 1.6904 0.985 2075487 Maybridge3_000611 COC(=O)c1ccccc1S(=O)c2cccc3cccc(CO)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L18 compound treatment 0.254 0.00696 0.34 0.255 0.0156 0.86 0.8488 0.9197 2075488 Maybridge3_000612 OC(=O)CSC1CCS(=O)(=O)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L19 compound treatment 0.258 0.011 0.54 0.26 0.0206 1.13 1.1823 0.9432 1640133 Maybridge3_000613 COc1ccc(NC(=O)C)c(c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L20 compound treatment 0.251 0.00396 0.2 0.252 0.0126 0.69 0.6277 0.8729 2075489 Maybridge3_000614 Nc1nnc(Nc2ccc(Cl)cc2)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L21 compound treatment 0.256 0.00896 0.44 0.252 0.0126 0.69 0.8023 0.9767 2075490 Maybridge3_000615 c1c(sc2nc(nnc12)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L22 compound treatment 0.253 0.00596 0.29 0.252 0.0126 0.69 0.6976 0.9275 1005928 Maybridge3_000616 Cc1ccc(CCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L23 mock treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 L24 mock treatment 0.246 -0.00104 -0.05 0.249 0.00962 0.53 0.3368 0.6356 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M01 compound treatment 0.248 9.64E-4 0.05 0.232 -0.00738 -0.4 -0.2524 -0.6196 2075491 Maybridge3_000617 Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M02 compound treatment 0.252 0.00496 0.25 0.255 0.0156 0.86 0.779 0.8744 2075492 Maybridge3_000618 CSc1nc2nccc(NC(=O)c3cccc(C)c3)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M03 compound treatment 0.254 0.00696 0.34 0.253 0.0136 0.75 0.7713 0.938 2075493 Maybridge3_000619 CCCc1cc(=O)oc2n(C)nc(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M04 compound treatment 0.27 0.023 1.13 0.269 0.0296 1.62 1.9503 0.9846 2075494 Maybridge3_000620 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCOC(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M05 compound treatment 0.257 0.00996 0.49 0.257 0.0176 0.97 1.0311 0.951 2075495 Maybridge3_000621 Fc1ccc(CNC(=O)CC#N)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M06 compound treatment 0.265 0.018 0.89 0.256 0.0166 0.91 1.2717 0.9999 1178380 Maybridge3_000622 Fc1ccc(c2ccc(CNC(=O)Cc3cccs3)o2)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M07 compound treatment 0.253 0.00596 0.29 0.249 0.00962 0.53 0.5813 0.9621 1222852 Maybridge3_000623 O=C1CS(=O)(=O)N(Cc2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M08 compound treatment 0.257 0.00996 0.49 0.26 0.0206 1.13 1.1474 0.9305 1529004 Maybridge3_000624 COc1ccc(OC)c(Sc2ncccc2C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M09 compound treatment 0.284 0.037 1.83 0.288 0.0486 2.67 3.1758 0.9829 2075496 Maybridge3_000625 Oc1ccc(cc1)/C(=C/c2ccc(cc2)C(F)(F)F)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M10 compound treatment 0.255 0.00796 0.39 0.251 0.0116 0.64 0.7286 0.9731 2075497 Maybridge3_000626 CSc1ncccc1C2=N/C(=C\c3ccc(Cl)cc3)/C(=O)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M11 compound treatment 0.248 9.64E-4 0.05 0.252 0.0126 0.69 0.523 0.754 1507727 Maybridge3_000627 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M12 compound treatment 0.256 0.00896 0.44 0.252 0.0126 0.69 0.8023 0.9767 2075498 Maybridge3_000628 CSc1nc(nc(Sc2ccccc2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M13 compound treatment 0.259 0.012 0.59 0.253 0.0136 0.75 0.9458 0.9933 1127265 Maybridge3_000629 Clc1cc(Cl)cc(COc2ccc(CC#N)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M14 compound treatment 0.255 0.00796 0.39 0.257 0.0176 0.97 0.9613 0.9215 2075499 Maybridge3_000630 CSC1=C(C#N)C(=C(C#N)C#N)NC(=N1)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M15 compound treatment 0.275 0.028 1.38 0.264 0.0246 1.35 1.931 0.9999 1645179 Maybridge3_000631 O=C(Nc1nnc(SCC#N)s1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M16 compound treatment 0.255 0.00796 0.39 0.253 0.0136 0.75 0.8062 0.9551 2075500 Maybridge3_000632 CC(C)(C(=O)Nc1ccccc1)S(=O)(=O)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M17 compound treatment 0.269 0.022 1.08 0.269 0.0296 1.62 1.9154 0.9807 1582377 Maybridge3_000633 CCOC(=O)c1cc(NC(=O)C)ccc1Oc2cncc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M18 compound treatment 0.259 0.012 0.59 0.256 0.0166 0.91 1.0622 0.978 2075501 Maybridge3_000634 CC(C)(Oc1ccc(C#N)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M19 compound treatment 0.26 0.013 0.64 0.26 0.0206 1.13 1.2522 0.9637 2075502 Maybridge3_000635 Fc1ccc(Oc2ccc(NC(=O)/C=C/c3ccccc3)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M20 compound treatment 0.255 0.00796 0.39 0.255 0.0156 0.86 0.8837 0.9377 2075503 Maybridge3_000636 CCCC1=C(C(=O)NC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M21 compound treatment 0.257 0.00996 0.49 0.254 0.0146 0.8 0.9148 0.9725 2075504 Maybridge3_000637 CCOC(=O)NC1=Nc2ccccc2NC=C1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M22 compound treatment 0.257 0.00996 0.49 0.256 0.0166 0.91 0.9923 0.9582 2075505 Maybridge3_000638 Cn1nc(OC(C)(C)C(=O)NC(C)(C)C)cc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M23 mock treatment 0.251 0.00396 0.2 0.25 0.0106 0.58 0.5502 0.8956 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 M24 mock treatment 0.251 0.00396 0.2 0.222 -0.0174 -0.95 -0.5354 -0.5503 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N01 compound treatment 0.249 0.00196 0.1 0.241 0.00162 0.09 0.1314 0.999 2075506 Maybridge3_000639 CC(=CC(=O)Oc1ccc(cc1)n2nnnc2SCC=C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N02 compound treatment 0.255 0.00796 0.39 0.252 0.0126 0.69 0.7674 0.9641 2075507 Maybridge3_000640 C(C1CS1)n2c3ccccc3c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N03 compound treatment 0.246 -0.00104 -0.05 0.247 0.00762 0.42 0.2593 0.616 2075508 Maybridge3_000641 FC(F)(F)Oc1ccc(CON2C(=O)C3C4OC(C=C4)C3C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N04 compound treatment 0.249 0.00196 0.1 0.253 0.0136 0.75 0.5967 0.7923 2075509 Maybridge3_000642 CCOC(=O)c1c(O)cc(C)[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N05 compound treatment 0.257 0.00996 0.49 0.25 0.0106 0.58 0.7597 0.9965 2075510 Maybridge3_000643 CN1C2CCC1CC(C2)NC(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N06 compound treatment 0.255 0.00796 0.39 0.254 0.0146 0.8 0.8449 0.9463 1447827 Maybridge3_000644 OC(=O)C(=C1C2CC3CC(C2)CC1C3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N07 compound treatment 0.3 0.053 2.62 0.286 0.0466 2.56 3.6569 0.9999 1706281 Maybridge3_000645 CCOC(=O)c1c(C)[nH]c2ccc(OCC=C)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N08 compound treatment 0.335 0.088 4.34 0.309 0.0696 3.82 5.7708 0.9979 1203832 Maybridge3_000646 COc1ccc(Nc2nc3ccccc3nc2c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N09 compound treatment 0.253 0.00596 0.29 0.246 0.00662 0.36 0.4649 0.9946 1034187 Maybridge3_000647 OCc1ccccc1c2ccccc2CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N10 compound treatment 0.25 0.00296 0.15 0.249 0.00962 0.53 0.4765 0.8704 1363311 Maybridge3_000648 CCOc1ccc(cc1)N2Cc3cc(OCC)ccc3N=C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N11 compound treatment 0.256 0.00896 0.44 0.249 0.00962 0.53 0.686 0.9962 2075511 Maybridge3_000649 COc1cccc(c1)/C(=C/O)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N12 compound treatment 0.251 0.00396 0.2 0.251 0.0116 0.64 0.589 0.8836 1698210 Maybridge3_000650 O=C(N1CCOCC1)c2cccc3Cc4ccccc4-c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N13 compound treatment 0.258 0.011 0.54 0.257 0.0176 0.97 1.066 0.9625 2075512 Maybridge3_000651 O=C1OCC(=C1)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N14 compound treatment 0.253 0.00596 0.29 0.252 0.0126 0.69 0.6976 0.9275 1185125 Maybridge3_000652 COc1ccc(OC(=O)NCCc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N15 compound treatment 0.254 0.00696 0.34 0.25 0.0106 0.58 0.6549 0.9684 1092424 Maybridge3_000653 CNC(=O)c1ccccc1Sc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N16 compound treatment 0.258 0.011 0.54 0.252 0.0126 0.69 0.8722 0.9926 2075513 Maybridge3_000654 CSC(=S)Nc1ccc(NC(=O)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N17 compound treatment 0.257 0.00996 0.49 0.262 0.0226 1.24 1.2249 0.918 1364067 Maybridge3_000655 CNC(=O)c1ccccc1S(=O)c2cccc3cccc(CO)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N18 compound treatment 0.252 0.00496 0.25 0.247 0.00762 0.42 0.4688 0.9677 1191735 Maybridge3_000656 COc1ccc(NC(CC(=O)C2CC2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N19 compound treatment 0.252 0.00496 0.25 0.252 0.0126 0.69 0.6627 0.9026 2075514 Maybridge3_000657 Cc1ccc(I)c(c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N20 compound treatment 0.26 0.013 0.64 0.259 0.0196 1.08 1.2134 0.9693 1028615 Maybridge3_000658 Nc1cc(Nc2ccc(Br)cc2)nc(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N21 compound treatment 0.257 0.00996 0.49 0.257 0.0176 0.97 1.0311 0.951 2075515 Maybridge3_000659 COc1ccc(cc1)c2cc3nnc(nc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N22 compound treatment 0.247 -3.57E-5 0.0 0.243 0.00362 0.2 0.1391 0.7008 2075516 Maybridge3_000660 CCOC(=O)c1cc(CO)cc(c1)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N23 mock treatment 0.253 0.00596 0.29 0.253 0.0136 0.75 0.7363 0.9172 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 N24 mock treatment 0.245 -0.00204 -0.1 0.219 -0.0204 -1.12 -0.8612 -0.7676 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O01 compound treatment 0.209 -0.038 -1.88 0.21 -0.0294 -1.61 -2.4672 -0.9971 1916588 Maybridge3_000661 COC(=O)/C=C/1\Nc2ccccc2NC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O02 compound treatment 0.252 0.00496 0.25 0.245 0.00562 0.31 0.3913 0.9936 2075517 Maybridge3_000662 COC(=O)CS(=O)(=O)c1nccn1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O03 compound treatment 0.249 0.00196 0.1 0.25 0.0106 0.58 0.4804 0.8137 2075518 Maybridge3_000663 CCCc1cc(=O)oc2[nH]nc(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O04 compound treatment 0.272 0.025 1.23 0.275 0.0356 1.95 2.2527 0.9754 1733743 Maybridge3_000664 CC(C)(C)c1cc(cc(c1)C(=O)Nc2cccnc2)C(=O)Nc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O05 compound treatment 0.254 0.00696 0.34 0.254 0.0146 0.8 0.81 0.9286 2075519 Maybridge3_000665 CN(C(=O)CC#N)c1ccc(F)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O06 compound treatment 0.261 0.014 0.69 0.248 0.00862 0.47 0.8218 0.983 1716609 Maybridge3_000666 CCOC(=O)c1cnc2onc(C)c2c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O07 compound treatment 0.254 0.00696 0.34 0.245 0.00562 0.31 0.4611 0.9985 1479341 Maybridge3_000667 CC(C)(C)c1ccc(cc1)c2nnc(o2)c3ccccc3N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O08 compound treatment 0.256 0.00896 0.44 0.254 0.0146 0.8 0.8799 0.9608 1483580 Maybridge3_000668 Cc1ccc(Oc2ncccc2C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O09 compound treatment 0.266 0.019 0.94 0.264 0.0246 1.35 1.6167 0.984 2075520 Maybridge3_000669 COc1ccc(/C=C(\C#N)/c2ccc(O)cc2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O10 compound treatment 0.252 0.00496 0.25 0.257 0.0176 0.97 0.8565 0.8593 2075521 Maybridge3_000670 CSc1ncccc1C2=N/C(=C\c3ccc(C)cc3)/C(=O)O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O11 compound treatment 0.248 9.64E-4 0.05 0.247 0.00762 0.42 0.3291 0.7826 1150800 Maybridge3_000671 CC(=O)Nc1ccc(Oc2cccnc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O12 compound treatment 0.255 0.00796 0.39 0.254 0.0146 0.8 0.8449 0.9463 2075522 Maybridge3_000672 O=C(OCCSc1ccccn1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O13 compound treatment 0.262 0.015 0.74 0.249 0.00962 0.53 0.8955 0.9863 1018990 Maybridge3_000673 O=C(C1COC(=O)C1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O14 compound treatment 0.254 0.00696 0.34 0.249 0.00962 0.53 0.6162 0.9785 1473988 Maybridge3_000674 Nc1n(nc2[nH]c(nc(=O)c12)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O15 compound treatment 0.25 0.00296 0.15 0.254 0.0146 0.8 0.6704 0.8226 1287534 Maybridge3_000675 CC(=O)Nc1nnc(SCC#N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O16 compound treatment 0.26 0.013 0.64 0.249 0.00962 0.53 0.8257 0.9954 1469722 Maybridge3_000676 CCOC(=O)c1c(C)c2c(=O)[nH]cnc2n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O17 compound treatment 0.254 0.00696 0.34 0.254 0.0146 0.8 0.81 0.9286 2075523 Maybridge3_000677 Cc1ccc(cc1)C(=O)OCCSc2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O18 compound treatment 0.249 0.00196 0.1 0.251 0.0116 0.64 0.5191 0.8055 1613952 Maybridge3_000678 Cc1[nH]c(=O)c(C#N)cc1c2csc(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O19 compound treatment 0.241 -0.00604 -0.3 0.247 0.00762 0.42 0.0847 0.165 2075524 Maybridge3_000679 Fc1ccc(Oc2ncccc2NC(=O)/C=C/c3ccccc3)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O20 compound treatment 0.229 -0.018 -0.89 0.219 -0.0204 -1.12 -1.4199 -0.9937 1551430 Maybridge3_000680 CC(=O)N1CC(=C(C#N)C1O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O21 compound treatment 0.249 0.00196 0.1 0.252 0.0126 0.69 0.5579 0.7984 1186844 Maybridge3_000681 CCCN(c1ccc(C)cc1)c2nc(=O)c3cccnc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O22 compound treatment 0.253 0.00596 0.29 0.249 0.00962 0.53 0.5813 0.9621 2075525 Maybridge3_000682 Cc1ccc(Oc2ccc(cn2)C(F)(F)F)c3CCCc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O23 mock treatment 0.25 0.00296 0.15 0.253 0.0136 0.75 0.6316 0.8299 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 O24 mock treatment 0.201 -0.046 -2.27 0.201 -0.0384 -2.1 -3.0955 -0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P01 compound treatment 0.194 -0.053 -2.62 0.19 -0.0494 -2.71 -3.7664 -0.9999 2075526 Maybridge3_000683 Oc1cc(ccn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P02 compound treatment 0.209 -0.038 -1.88 0.209 -0.0304 -1.67 -2.5059 -0.9982 1151687 Maybridge3_000684 CC(=O)Oc1cc2sc(=O)oc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P03 compound treatment 0.217 -0.03 -1.48 0.227 -0.0124 -0.68 -1.5287 -0.9372 1419965 Maybridge3_000685 Fc1cccc(Cl)c1CON2C(=O)C3C4OC(C=C4)C3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P04 compound treatment 0.228 -0.019 -0.94 0.211 -0.0284 -1.56 -1.765 -0.9709 2075527 Maybridge3_000686 CC(=O)Nc1ccc(OCCOc2ccc(NC(=O)C)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P05 compound treatment 0.218 -0.029 -1.43 0.23 -0.00938 -0.51 -1.3775 -0.9043 1690708 Maybridge3_000687 CCOC(=O)c1cc(=O)c2c(O)cccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P06 compound treatment 0.207 -0.04 -1.98 0.212 -0.0274 -1.5 -2.4595 -0.9908 1527724 Maybridge3_000688 CC(C)OC(=O)c1cccc2C(=O)c3ccccc3-c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P07 compound treatment 0.212 -0.035 -1.73 0.215 -0.0244 -1.34 -2.1686 -0.9919 1338763 Maybridge3_000689 Oc1nc2ccccc2n(c3ccc(Cl)cc3)c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P08 compound treatment 0.571 0.324 16.0 0.557 0.318 17.42 23.6265 0.9991 2075528 Maybridge3_000690 CSC1=N/C(=C/c2ccco2)/C(=O)N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P09 compound treatment 0.213 -0.034 -1.68 0.22 -0.0194 -1.06 -1.9398 -0.9755 1009360 Maybridge3_000691 CC(C)C1CCC(C)CC1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P10 compound treatment 0.208 -0.039 -1.93 0.203 -0.0364 -1.99 -2.7735 -0.9999 2075529 Maybridge3_000692 OC1(CCCCC1)c2cccc(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P11 compound treatment 0.245 -0.00204 -0.1 0.222 -0.0174 -0.95 -0.7449 -0.7774 1138107 Maybridge3_000693 CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3-c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P12 compound treatment 0.242 -0.00504 -0.25 0.213 -0.0264 -1.45 -1.1986 -0.8167 1430738 Maybridge3_000694 CCN(CC)C(=O)c1cccc2-c3ccccc3C(=O)c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P13 compound treatment 0.237 -0.01 -0.5 0.216 -0.0234 -1.28 -1.2569 -0.9145 2075530 Maybridge3_000695 CCc1c(O)c2ccccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P14 compound treatment 0.229 -0.018 -0.89 0.217 -0.0224 -1.23 -1.4974 -0.9876 1051125 Maybridge3_000696 CNC(=O)Oc1cccc(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P15 compound treatment 0.214 -0.033 -1.63 0.205 -0.0344 -1.89 -2.4864 -0.9974 1656319 Maybridge3_000697 CCNC(=O)c1ccccc1Sc2ccccc2CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P16 compound treatment 0.218 -0.029 -1.43 0.236 -0.00338 -0.19 -1.1449 -0.7919 1286529 Maybridge3_000698 Oc1c(c2ccccc2)c(=O)n(c3ccccc3)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P17 compound treatment 0.215 -0.032 -1.58 0.203 -0.0364 -1.99 -2.5291 -0.9934 1429737 Maybridge3_000699 CNC(=O)c1ccccc1S(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P18 compound treatment 0.222 -0.025 -1.24 0.219 -0.0204 -1.12 -1.6643 -0.9987 1600212 Maybridge3_000700 Cc1ccc(NC(CC(=O)C2CC2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P19 compound treatment 0.227 -0.02 -0.99 0.23 -0.00938 -0.51 -1.0632 -0.9535 1143166 Maybridge3_000701 Oc1cc(=O)n(c2ccccc2)c3CCCCc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P20 compound treatment 0.23 -0.017 -0.84 0.232 -0.00738 -0.4 -0.881 -0.9437 1066953 Maybridge3_000702 CSc1nc(C(=O)N)c(N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P21 compound treatment 0.2 -0.047 -2.32 0.211 -0.0284 -1.56 -2.7427 -0.981 2075531 Maybridge3_000703 Clc1ccc(cc1)c2cc3nnc(nc3s2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P22 compound treatment 0.199 -0.048 -2.37 0.219 -0.0204 -1.12 -2.4674 -0.941 2075532 Maybridge3_000704 CCC(=O)N1C2CC(C=C2)C1(C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P23 mock treatment 0.221 -0.026 -1.29 0.195 -0.0444 -2.43 -2.6297 -0.9555 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1432 P24 mock treatment 0.205 -0.042 -2.08 0.215 -0.0244 -1.34 -2.413 -0.9773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A01 compound treatment 0.189 -0.0459 -2.27 0.188 -0.0567 -3.11 -3.7998 -0.988 1063882 Maybridge3_000705 OC(C(=O)O)c1cccc(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A02 compound treatment 0.196 -0.0389 -1.92 0.203 -0.0417 -2.28 -2.9739 -0.9963 1012545 Maybridge3_000706 O=C(c1ccccc1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A03 compound treatment 0.227 -0.0079 -0.39 0.239 -0.00567 -0.31 -0.4957 -0.9936 1340150 Maybridge3_000707 CC(=O)Nc1ccc(O)c(c1)C(=O)CC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A04 compound treatment 0.196 -0.0389 -1.92 0.194 -0.0507 -2.78 -3.3228 -0.9838 2075533 Maybridge3_000708 O=C(CC1S/C(=N/c2ccccc2)/NC1=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A05 compound treatment 0.213 -0.0219 -1.08 0.202 -0.0427 -2.34 -2.419 -0.9386 1587589 Maybridge3_000709 O=C(C1CCCCC1)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A06 compound treatment 0.302 0.0671 3.31 0.304 0.0593 3.25 4.6433 1.0 2075534 Maybridge3_000710 O=C/1Nc2ccccc2\C1=C/c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A07 compound treatment 0.22 -0.0149 -0.74 0.223 -0.0217 -1.19 -1.3604 -0.9735 1198441 Maybridge3_000711 COc1ccc(CCNC(=O)c2cccs2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A08 compound treatment 0.203 -0.0319 -1.58 0.217 -0.0277 -1.52 -2.1866 -0.9998 1664899 Maybridge3_000712 Cc1cc(C)c(C(=O)O)c2CC(C)(C)C(=O)c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A09 compound treatment 0.226 -0.0089 -0.44 0.212 -0.0327 -1.79 -1.5774 -0.8553 1156182 Maybridge3_000713 CN1C2CCC1CC(C2)NC(=O)CSc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A10 compound treatment 0.247 0.0121 0.6 0.239 -0.00567 -0.31 0.2027 0.301 1579963 Maybridge3_000714 Clc1ccc(cc1)C(=O)Nc2ccccc2C(=O)NCc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A11 compound treatment 0.241 0.0061 0.3 0.219 -0.0257 -1.41 -0.7822 -0.5435 1650341 Maybridge3_000715 CCOC(=O)c1cc(=O)oc2cc(O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A12 compound treatment 0.25 0.0151 0.75 0.261 0.0163 0.9 1.1604 0.9958 2075535 Maybridge3_000716 CN(C)c1ccc(cc1)C2Nc3ccccc3S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A13 compound treatment 0.246 0.0111 0.55 0.24 -0.00467 -0.26 0.2065 0.3415 1654309 Maybridge3_000717 CC1(CC2(C)CC3(C)C1)CC(CCO)(C2)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A14 compound treatment 0.221 -0.0139 -0.69 0.203 -0.0417 -2.28 -2.1009 -0.8807 1563478 Maybridge3_000718 OC(=O)CCC(=O)N1CCCc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A15 compound treatment 0.373 0.138 6.82 0.34 0.0953 5.23 8.5182 0.9914 1663621 Maybridge3_000719 CCOC(=O)c1nnc2cc(sc2n1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A16 compound treatment 0.231 -0.0039 -0.19 0.213 -0.0317 -1.74 -1.364 -0.7808 2075536 Maybridge3_000720 COc1ccc(OC)c(c1)C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A17 compound treatment 0.221 -0.0139 -0.69 0.205 -0.0397 -2.17 -2.0234 -0.8872 2075537 Maybridge3_000721 CCCOc1cccc(c1)C2CCCCN(C)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A18 compound treatment 0.245 0.0101 0.5 0.247 0.00233 0.13 0.443 0.8607 2075538 Maybridge3_000722 Clc1ccc(cc1)c2noc(CSC3=NCC4CCCC4N3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A19 compound treatment 0.237 0.0021 0.1 0.203 -0.0417 -2.28 -1.5422 -0.6744 1715439 Maybridge3_000723 CN(CC(=O)Nc1ccccc1)C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A20 compound treatment 0.208 -0.0269 -1.33 0.212 -0.0327 -1.79 -2.2059 -0.9892 1056263 Maybridge3_000724 COc1ccc(cc1)C2C(C#N)(C#N)C2(C#N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A21 compound treatment 0.205 -0.0299 -1.48 0.207 -0.0377 -2.07 -2.5045 -0.9865 1297522 Maybridge3_000725 OC(=O)C1C(C2CCC1CCC2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A22 compound treatment 0.224 -0.0109 -0.54 0.221 -0.0237 -1.3 -1.2983 -0.9241 1429927 Maybridge3_000726 Clc1ccc(cc1)c2nc(CN3CCOCC3)cs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A23 mock treatment 0.199 -0.0359 -1.77 0.222 -0.0227 -1.24 -2.1325 -0.9849 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 A24 mock treatment 0.212 -0.0229 -1.13 0.178 -0.0667 -3.66 -3.3844 -0.8845 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B01 compound treatment 0.213 -0.0219 -1.08 0.214 -0.0307 -1.68 -1.9538 -0.9772 1652436 Maybridge3_000727 Oc1nc(CSc2ccccn2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B02 compound treatment 0.252 0.0171 0.84 0.255 0.0103 0.57 0.9976 0.9812 1168234 Maybridge3_000728 Clc1ccc(C(=O)N(CC#N)CC#N)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B03 compound treatment 0.248 0.0131 0.65 0.252 0.00733 0.4 0.7416 0.9739 2075539 Maybridge3_000729 CC(OC(=O)Nc1c(C)onc1c2ccccc2Cl)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B04 compound treatment 0.289 0.0541 2.67 0.291 0.0463 2.54 3.6853 0.9997 2075540 Maybridge3_000730 On1c(cc(cc1=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B05 compound treatment 0.254 0.0191 0.94 0.258 0.0133 0.73 1.1838 0.9921 2075541 Maybridge3_000731 CSC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B06 compound treatment 0.255 0.0201 0.99 0.255 0.0103 0.57 1.1024 0.9647 2075542 Maybridge3_000732 CS(=O)(=O)NC(=N)c1ccncc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B07 compound treatment 0.245 0.0101 0.5 0.249 0.00433 0.24 0.5206 0.9425 2075543 Maybridge3_000733 FC(F)(F)c1cc(C#CCN2CCOCC2)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B08 compound treatment 0.263 0.0281 1.39 0.265 0.0203 1.11 1.7694 0.9941 1537560 Maybridge3_000734 CC1CN(CC(C)O1)c2ccc(N)cc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B09 compound treatment 0.259 0.0241 1.19 0.264 0.0193 1.06 1.591 0.9983 2075544 Maybridge3_000735 Oc1ccccc1C2NC(=NO2)CC(=O)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B10 compound treatment 0.254 0.0191 0.94 0.252 0.00733 0.4 0.9511 0.9278 1599729 Maybridge3_000736 CC(=O)NCc1c(C)onc1c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B11 compound treatment 0.298 0.0631 3.12 0.295 0.0503 2.76 4.1547 0.9982 2075545 Maybridge3_000737 Clc1ccc(SCc2ccc(o2)C(=O)Nc3cccnc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B12 compound treatment 0.255 0.0201 0.99 0.251 0.00633 0.35 0.9473 0.901 2075546 Maybridge3_000738 COc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B13 compound treatment 0.277 0.0421 2.08 0.278 0.0333 1.83 2.7623 0.9979 2075547 Maybridge3_000739 NC1=C(C#N)C(C(=C(O1)c2ccco2)C#N)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B14 compound treatment 0.255 0.0201 0.99 0.256 0.0113 0.62 1.1411 0.9746 1638414 Maybridge3_000740 CC1CN(CC(C)O1)C(=O)CCCC(=O)N2CC(C)OC(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B15 compound treatment 0.256 0.0211 1.04 0.256 0.0113 0.62 1.1761 0.9695 2075548 Maybridge3_000741 COc1ccc(OC(=O)c2snnc2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B16 compound treatment 0.27 0.0351 1.73 0.27 0.0253 1.39 2.2077 0.994 2075549 Maybridge3_000742 Nc1ccccc1SC(CC(=O)c2cccs2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B17 compound treatment 0.26 0.0251 1.24 0.263 0.0183 1.01 1.5871 0.9946 2075550 Maybridge3_000743 Cc1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B18 compound treatment 0.253 0.0181 0.89 0.256 0.0113 0.62 1.0713 0.9842 2075551 Maybridge3_000744 Oc1ccccc1/C=N/c2n[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B19 compound treatment 0.258 0.0231 1.14 0.259 0.0143 0.79 1.3622 0.9835 2075552 Maybridge3_000745 Clc1ccc(CNc2cccc(Cl)c2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B20 compound treatment 0.253 0.0181 0.89 0.252 0.00733 0.4 0.9162 0.935 2075553 Maybridge3_000746 Clc1cccc(Cl)c1CSC(=S)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B21 compound treatment 0.256 0.0211 1.04 0.255 0.0103 0.57 1.1373 0.959 2075554 Maybridge3_000747 CN(C)c1ccc(/C=N/O)c(F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B22 compound treatment 0.246 0.0111 0.55 0.249 0.00433 0.24 0.5555 0.93 2075555 Maybridge3_000748 Cc1cc(cc(C)c1F)S(=O)(=O)NC(=N)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B23 mock treatment 0.247 0.0121 0.6 0.252 0.00733 0.4 0.7067 0.9814 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 B24 mock treatment 0.222 -0.0129 -0.64 0.233 -0.0117 -0.64 -0.9029 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C01 compound treatment 0.221 -0.0139 -0.69 0.202 -0.0427 -2.34 -2.1397 -0.8776 1260995 Maybridge3_000749 O=C(c1ccccc1)c2ccc3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C02 compound treatment 0.247 0.0121 0.6 0.246 0.00133 0.07 0.4741 0.7878 2075556 Maybridge3_000750 Brc1ccc2NC(=O)/C(=C\C(=O)c3ccc4OCOc4c3)/c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C03 compound treatment 0.239 0.0041 0.2 0.238 -0.00667 -0.37 -0.1154 -0.2763 1154181 Maybridge3_000751 O=C(C1CCCCC1)N2CCN(CC2)c3ncccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C04 compound treatment 0.245 0.0101 0.5 0.249 0.00433 0.24 0.5206 0.9425 2075557 Maybridge3_000752 Brc1ccc(CS(=N)Nc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C05 compound treatment 0.234 -9.03E-4 -0.04 0.233 -0.0117 -0.64 -0.4839 -0.7546 1714598 Maybridge3_000753 COC(=O)c1ccccc1S(=O)(=O)NC2C(C)(C)C3CCC2(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C06 compound treatment 0.357 0.122 6.03 0.347 0.102 5.61 8.2309 0.9994 617 Maybridge3_000754 COc1cc(OC)c(/C=C\2/C(=O)Nc3ccccc23)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C07 compound treatment 0.249 0.0141 0.7 0.248 0.00333 0.18 0.6215 0.8635 1286190 Maybridge3_000755 COc1ccccc1N2CCN(Cc3cccc4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C08 compound treatment 0.253 0.0181 0.89 0.252 0.00733 0.4 0.9162 0.935 2075558 Maybridge3_000756 NS(=O)(=O)/C=C/c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C09 compound treatment 0.242 0.0071 0.35 0.244 -6.67E-4 -0.04 0.222 0.6299 1255945 Maybridge3_000757 COc1ccc(CSCC(=O)NC2CC3CCC(C2)N3C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C10 compound treatment 0.241 0.0061 0.3 0.239 -0.00567 -0.31 -0.0068 -0.0157 1614043 Maybridge3_000758 Clc1c(NC(=O)c2ccccc2C(=O)NCc3cccnc3)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C11 compound treatment 0.265 0.0301 1.49 0.264 0.0193 1.06 1.8005 0.9863 1053995 Maybridge3_000759 N#Cc1ccccc1c2ccccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C12 compound treatment 0.252 0.0171 0.84 0.249 0.00433 0.24 0.765 0.8722 1252316 Maybridge3_000760 COc1cccc(C2Nc3ccccc3S2)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C13 compound treatment 0.243 0.0081 0.4 0.245 3.33E-4 0.02 0.2956 0.7387 2075559 Maybridge3_000761 CSC(=S)OCC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C14 compound treatment 0.249 0.0141 0.7 0.249 0.00433 0.24 0.6602 0.8976 1195010 Maybridge3_000762 Cc1ccc(NC(=O)CSC2CC(=O)N(C2=O)c3ccccc3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C15 compound treatment 0.241 0.0061 0.3 0.24 -0.00467 -0.26 0.032 0.0809 1557640 Maybridge3_000763 OCC1CN(Cc2ccccc2)C(=O)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C16 compound treatment 0.253 0.0181 0.89 0.248 0.00333 0.18 0.7611 0.8344 2075560 Maybridge3_000764 Cc1c(C)c(C)c(CSc2nnc(CC#N)n2C)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C17 compound treatment 0.251 0.0161 0.79 0.251 0.00633 0.35 0.8076 0.931 2075561 Maybridge3_000765 CS(=O)(=O)c1ncc(OCc2ccccc2)cn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C18 compound treatment 0.256 0.0211 1.04 0.252 0.00733 0.4 1.021 0.9143 2075562 Maybridge3_000766 Clc1ccc(cc1)c2noc(CSc3ccccn3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C19 compound treatment 0.242 0.0071 0.35 0.242 -0.00267 -0.15 0.1444 0.3803 1011473 Maybridge3_000767 NC(=O)C1CCCCC1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C20 compound treatment 0.243 0.0081 0.4 0.242 -0.00267 -0.15 0.1793 0.4212 1503216 Maybridge3_000768 COc1ccc(cc1)C(CC(=O)N)CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C21 compound treatment 0.242 0.0071 0.35 0.24 -0.00467 -0.26 0.0669 0.1541 2075563 Maybridge3_000769 C/C(=N\O)/C(=O)Nc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C22 compound treatment 0.244 0.0091 0.45 0.244 -6.67E-4 -0.04 0.2918 0.6474 2075564 Maybridge3_000770 Clc1ccc(cc1)c2nc(CSc3ccccn3)cs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C23 mock treatment 0.237 0.0021 0.1 0.24 -0.00467 -0.26 -0.1077 -0.3902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 C24 mock treatment 0.222 -0.0129 -0.64 0.22 -0.0247 -1.35 -1.4069 -0.941 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D01 compound treatment 0.235 9.68E-5 0.0 0.243 -0.00167 -0.09 -0.0612 -0.6692 2075565 Maybridge3_000771 Oc1ccccc1/C=N/c2nc(cs2)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D02 compound treatment 0.252 0.0171 0.84 0.25 0.00533 0.29 0.8038 0.8996 2075566 Maybridge3_000772 CN(C)C(=S)SCc1ccc(cc1)C(=O)Oc2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D03 compound treatment 0.25 0.0151 0.75 0.25 0.00533 0.29 0.7339 0.9165 2075567 Maybridge3_000773 COC(=S)Nc1ccc(cc1)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D04 compound treatment 0.252 0.0171 0.84 0.247 0.00233 0.13 0.6874 0.8051 2075568 Maybridge3_000774 Cc1nnsc1C(=O)NCCc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D05 compound treatment 0.252 0.0171 0.84 0.252 0.00733 0.4 0.8813 0.9424 2075569 Maybridge3_000775 Cc1ncc(CSc2ccccn2)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D06 compound treatment 0.247 0.0121 0.6 0.249 0.00433 0.24 0.5904 0.9184 1137680 Maybridge3_000776 CCN(CCC#N)C(=O)c1c(C)onc1c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D07 compound treatment 0.249 0.0141 0.7 0.251 0.00633 0.35 0.7378 0.9484 1309582 Maybridge3_000777 Fc1cccc(F)c1C(=O)Nc2ccccc2C(=O)NCc3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D08 compound treatment 0.25 0.0151 0.75 0.249 0.00433 0.24 0.6952 0.8884 1686550 Maybridge3_000778 Cc1onc(c1C(=O)NCCO)c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D09 compound treatment 0.244 0.0091 0.45 0.246 0.00133 0.07 0.3693 0.8115 2075570 Maybridge3_000779 COc1cc(Cl)c(cc1NC(=O)C)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D10 compound treatment 0.244 0.0091 0.45 0.245 3.33E-4 0.02 0.3306 0.7353 2075571 Maybridge3_000780 CCN(CC)C(=S)Oc1ccc(Br)cc1C(=O)NCCc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D11 compound treatment 0.253 0.0181 0.89 0.256 0.0113 0.62 1.0713 0.9842 2075572 Maybridge3_000781 Clc1ccc(SCc2ccc(o2)C(=O)N3CCOCC3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D12 compound treatment 0.261 0.0261 1.29 0.258 0.0133 0.73 1.4282 0.9639 2075573 Maybridge3_000782 Fc1cccc(NCCCn2ccnc2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D13 compound treatment 0.259 0.0241 1.19 0.268 0.0233 1.28 1.7461 0.9993 2075574 Maybridge3_000783 CS/C(=C(/C#N)\C(=O)c1ccco1)/Nc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D14 compound treatment 0.253 0.0181 0.89 0.247 0.00233 0.13 0.7224 0.8002 1563197 Maybridge3_000784 O=C(CCCC(=O)N1CCCC1)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D15 compound treatment 0.234 -9.03E-4 -0.04 0.232 -0.0127 -0.69 -0.5226 -0.751 1593642 Maybridge3_000785 Cc1nnsc1C(=O)Oc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D16 compound treatment 0.259 0.0241 1.19 0.257 0.0123 0.68 1.3196 0.9641 2075575 Maybridge3_000786 CC(=O)NCCc1c(F)cccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D17 compound treatment 0.267 0.0321 1.58 0.262 0.0173 0.95 1.7928 0.9701 2075576 Maybridge3_000787 Cc1csc(n1)c2snnc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D18 compound treatment 0.255 0.0201 0.99 0.251 0.00633 0.35 0.9473 0.901 2075577 Maybridge3_000788 CCOC(=O)NCCc1c(F)cccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D19 compound treatment 0.248 0.0131 0.65 0.248 0.00333 0.18 0.5865 0.8728 2075578 Maybridge3_000789 OC1(CC1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D20 compound treatment 0.248 0.0131 0.65 0.25 0.00533 0.29 0.6641 0.9356 1315234 Maybridge3_000790 Clc1cc(CSC(=S)N2CCSCC2)c3OCOCc3c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D21 compound treatment 0.257 0.0221 1.09 0.253 0.00833 0.46 1.0947 0.9253 2075579 Maybridge3_000791 CCc1nc(cs1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D22 compound treatment 0.247 0.0121 0.6 0.246 0.00133 0.07 0.4741 0.7878 1677375 Maybridge3_000792 NS(=O)(=O)c1ccccc1Oc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D23 mock treatment 0.251 0.0161 0.79 0.249 0.00433 0.24 0.7301 0.88 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 D24 mock treatment 0.22 -0.0149 -0.74 0.235 -0.00967 -0.53 -0.8952 -0.987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E01 compound treatment 0.241 0.0061 0.3 0.246 0.00133 0.07 0.2646 0.854 1451192 Maybridge3_000793 COC(=O)C1C2C=CCC2=C(C(=O)OC)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E02 compound treatment 0.27 0.0351 1.73 0.279 0.0343 1.88 2.5566 0.9991 2075580 Maybridge3_000794 O=C1/C(=C/c2cccc3ccccc23)/Nc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E03 compound treatment 0.245 0.0101 0.5 0.246 0.00133 0.07 0.4043 0.8022 2075581 Maybridge3_000795 FC(F)(F)c1cccc(c1)C(=O)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E04 compound treatment 0.253 0.0181 0.89 0.253 0.00833 0.46 0.955 0.9515 2075582 Maybridge3_000796 N=C(Nc1ccccc1)SCc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E05 compound treatment 0.252 0.0171 0.84 0.253 0.00833 0.46 0.9201 0.9584 1607133 Maybridge3_000797 CC1(C)C(NC(=O)C2CCC2)C3(C)CCC1C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E06 compound treatment 0.319 0.0841 4.15 0.329 0.0843 4.62 6.2061 0.9986 2075583 Maybridge3_000798 COc1ccc(/C=C\2/C(=O)Nc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E07 compound treatment 0.269 0.0341 1.68 0.273 0.0283 1.55 2.2891 0.9992 1297748 Maybridge3_000799 Nc1ccc(cc1)C(=O)Oc2ccc(Oc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E08 compound treatment 0.277 0.0421 2.08 0.288 0.0433 2.38 3.15 0.9978 2075584 Maybridge3_000800 COc1cc(cc(OC)c1OC)C2SC(=C(C#N)C(=N2)O)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E09 compound treatment 0.252 0.0171 0.84 0.254 0.00933 0.51 0.9588 0.9712 1614928 Maybridge3_000801 CN1C2CCC1CC(C2)NC(=O)CSc3nnc(N)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E10 compound treatment 0.253 0.0181 0.89 0.254 0.00933 0.51 0.9938 0.965 1586400 Maybridge3_000802 O=C(Nc1ccccc1C(=O)NCc2cccnc2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E11 compound treatment 0.254 0.0191 0.94 0.248 0.00333 0.18 0.7961 0.8287 2075585 Maybridge3_000803 COC(=O)NC1(CCCC2CCC1)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E12 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 2075586 Maybridge3_000804 Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E13 compound treatment 0.254 0.0191 0.94 0.258 0.0133 0.73 1.1838 0.9921 1644876 Maybridge3_000805 CCC1(CC2CC3(C1)NC(=O)C)CC(C2)(C3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E14 compound treatment 0.257 0.0221 1.09 0.254 0.00933 0.51 1.1334 0.9404 1374505 Maybridge3_000806 OC(=O)c1ccccc1c2ccccc2C(=O)Nc3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E15 compound treatment 0.254 0.0191 0.94 0.256 0.0113 0.62 1.1062 0.9795 2075587 Maybridge3_000807 CC(C)(C)N1CC(CO)OC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E16 compound treatment 0.257 0.0221 1.09 0.254 0.00933 0.51 1.1334 0.9404 2075588 Maybridge3_000808 N/C(=N\O)/c1ccc2OCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E17 compound treatment 0.272 0.0371 1.83 0.261 0.0163 0.9 1.9286 0.9458 1054635 Maybridge3_000809 CSc1ncc(OCc2ccccc2)c(O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E18 compound treatment 0.271 0.0361 1.78 0.264 0.0193 1.06 2.01 0.9692 2075589 Maybridge3_000810 CC(=O)OCc1c(C)c(C)c(C)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E19 compound treatment 0.256 0.0211 1.04 0.251 0.00633 0.35 0.9822 0.8944 2075590 Maybridge3_000811 CC1CC(C(CC1C)C(=O)O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E20 compound treatment 0.257 0.0221 1.09 0.255 0.0103 0.57 1.1722 0.9534 1390420 Maybridge3_000812 Cc1cc(C)c(C(=O)N)c(CC(C)(C)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E21 compound treatment 0.253 0.0181 0.89 0.251 0.00633 0.35 0.8774 0.9152 2075591 Maybridge3_000813 COC(=O)C(=C(C)C)c1ccc(cc1)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E22 compound treatment 0.259 0.0241 1.19 0.263 0.0183 1.01 1.5522 0.9965 2075592 Maybridge3_000814 CSc1nc2ccccc2n3cccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E23 mock treatment 0.252 0.0171 0.84 0.249 0.00433 0.24 0.765 0.8722 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 E24 mock treatment 0.235 9.68E-5 0.0 0.246 0.00133 0.07 0.0551 0.7517 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F01 compound treatment 0.246 0.0111 0.55 0.248 0.00333 0.18 0.5167 0.8945 2075593 Maybridge3_000815 FC(F)(F)c1cccc(c1)/C(=C/c2cccnc2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F02 compound treatment 0.256 0.0211 1.04 0.257 0.0123 0.68 1.2148 0.9781 2075594 Maybridge3_000816 Clc1ccc(C(=O)NCc2cccs2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F03 compound treatment 0.258 0.0231 1.14 0.258 0.0133 0.73 1.3234 0.9769 2075595 Maybridge3_000817 Fc1cccc(F)c1C(=O)NCCCn2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F04 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 2075596 Maybridge3_000818 Cc1onc(c1CC#N)c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F05 compound treatment 0.261 0.0261 1.29 0.265 0.0203 1.11 1.6996 0.9974 1042708 Maybridge3_000819 Cc1ncc(CSc2ccc(Cl)cc2)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F06 compound treatment 0.258 0.0231 1.14 0.259 0.0143 0.79 1.3622 0.9835 1132871 Maybridge3_000820 Oc1ccccc1C(=O)NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F07 compound treatment 0.257 0.0221 1.09 0.261 0.0163 0.9 1.4048 0.9952 2075597 Maybridge3_000821 Fc1cccc(F)c1CN2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F08 compound treatment 0.261 0.0261 1.29 0.265 0.0203 1.11 1.6996 0.9974 2075598 Maybridge3_000822 Cc1snc(c1C(=O)O)c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F09 compound treatment 0.256 0.0211 1.04 0.249 0.00433 0.24 0.9047 0.8466 2075599 Maybridge3_000823 NC(=O)c1nnn(c1c2ccccc2)c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F10 compound treatment 0.259 0.0241 1.19 0.256 0.0113 0.62 1.2808 0.9541 1691543 Maybridge3_000824 Clc1cccc(Oc2ccc(cc2)S(=O)(=O)N3CCOCC3)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F11 compound treatment 0.294 0.0591 2.92 0.285 0.0403 2.21 3.6273 0.9906 1296871 Maybridge3_000825 CN(C)c1c(F)cc(cc1F)c2nnn[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F12 compound treatment 0.258 0.0231 1.14 0.258 0.0133 0.73 1.3234 0.9769 2075600 Maybridge3_000826 Fc1ccc(N/C=N/c2ccc(F)cc2F)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F13 compound treatment 0.259 0.0241 1.19 0.267 0.0223 1.22 1.7073 0.9999 1531556 Maybridge3_000827 COc1cccc(Oc2ccc(OC)cc2C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F14 compound treatment 0.252 0.0171 0.84 0.252 0.00733 0.4 0.8813 0.9424 2075601 Maybridge3_000828 CC(C)(C)NC1=C(C#N)C(=O)NC(S1)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F15 compound treatment 0.276 0.0411 2.03 0.262 0.0173 0.95 2.107 0.9403 2075602 Maybridge3_000829 Clc1ccc(OC(=O)c2snnc2c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F16 compound treatment 0.264 0.0291 1.44 0.258 0.0133 0.73 1.5329 0.9509 1384617 Maybridge3_000830 Clc1ccc(cc1Cl)S(=O)(=O)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F17 compound treatment 0.265 0.0301 1.49 0.264 0.0193 1.06 1.8005 0.9863 2075603 Maybridge3_000831 CCOC(=O)Nc1c(C)noc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F18 compound treatment 0.263 0.0281 1.39 0.257 0.0123 0.68 1.4592 0.9454 2075604 Maybridge3_000832 CCOC(=O)Nc1nc2cc(C)ccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F19 compound treatment 0.257 0.0221 1.09 0.26 0.0153 0.84 1.3661 0.9917 1342849 Maybridge3_000833 Fc1cccc(Cl)c1CNCc2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F20 compound treatment 0.256 0.0211 1.04 0.256 0.0113 0.62 1.1761 0.9695 2075605 Maybridge3_000834 Oc1cc(CSC(=S)N2CCSCC2)c3ccccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F21 compound treatment 0.258 0.0231 1.14 0.255 0.0103 0.57 1.2071 0.9479 2075606 Maybridge3_000835 C(c1cccs1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F22 compound treatment 0.254 0.0191 0.94 0.254 0.00933 0.51 1.0287 0.9588 1167965 Maybridge3_000836 Clc1ccc(Oc2ccccc2S(=O)(=O)N3CCOCC3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F23 mock treatment 0.251 0.0161 0.79 0.256 0.0113 0.62 1.0015 0.9926 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 F24 mock treatment 0.246 0.0111 0.55 0.249 0.00433 0.24 0.5555 0.93 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G01 compound treatment 0.251 0.0161 0.79 0.264 0.0193 1.06 1.3116 0.9899 1004045 Maybridge3_000837 COC1=CC(=O)C(=CC1=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G02 compound treatment 0.249 0.0141 0.7 0.246 0.00133 0.07 0.5439 0.7771 2075607 Maybridge3_000838 FC(F)(F)c1cccc(Nc2nnc(s2)c3cccnc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G03 compound treatment 0.248 0.0131 0.65 0.247 0.00233 0.13 0.5478 0.8309 1649197 Maybridge3_000839 O=C(N1CCN(CC1)c2cccc3[nH]ccc23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G04 compound treatment 0.251 0.0161 0.79 0.254 0.00933 0.51 0.9239 0.9773 2075608 Maybridge3_000840 NC(=N)SCc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G05 compound treatment 0.249 0.0141 0.7 0.25 0.00533 0.29 0.699 0.9258 1527173 Maybridge3_000841 CN1C2CCC1CC(C2)NS(=O)(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G06 compound treatment 0.304 0.0691 3.41 0.293 0.0483 2.65 4.2866 0.9922 2075609 Maybridge3_000842 O=C/1Nc2ccccc2\C1=C/c3cccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G07 compound treatment 0.252 0.0171 0.84 0.252 0.00733 0.4 0.8813 0.9424 1433728 Maybridge3_000843 O=C(OC1CN2CCC1CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G08 compound treatment 0.278 0.0431 2.13 0.271 0.0263 1.44 2.5258 0.9821 2075610 Maybridge3_000844 CSC1=C(C#N)C(=O)NC(S1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G09 compound treatment 0.252 0.0171 0.84 0.254 0.00933 0.51 0.9588 0.9712 1032294 Maybridge3_000845 CN(C)N=Nc1ccc(C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G10 compound treatment 0.283 0.0481 2.38 0.276 0.0313 1.72 2.8942 0.9874 2075611 Maybridge3_000846 O=C(CSc1nnc(SCC(=O)c2ccccc2)s1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G11 compound treatment 0.251 0.0161 0.79 0.255 0.0103 0.57 0.9627 0.9862 2075612 Maybridge3_000847 C/C(=N/O)/C1(CCC2CC1)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G12 compound treatment 0.263 0.0281 1.39 0.254 0.00933 0.51 1.3429 0.9081 1578875 Maybridge3_000848 COc1ccc(NC(=O)CSCC(=O)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G13 compound treatment 0.251 0.0161 0.79 0.258 0.0133 0.73 1.079 0.9991 2075613 Maybridge3_000849 CC1(CC2(C)CC3(C)C1)CC(CO)(C2)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G14 compound treatment 0.257 0.0221 1.09 0.251 0.00633 0.35 1.0171 0.8882 2075614 Maybridge3_000850 COc1cc(OC)c(cc1Cl)N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G15 compound treatment 0.25 0.0151 0.75 0.247 0.00233 0.13 0.6176 0.8165 1709987 Maybridge3_000851 Cc1ccc(OCC2CN(Cc3ccccc3)C(=O)O2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G16 compound treatment 0.267 0.0321 1.58 0.252 0.00733 0.4 1.4051 0.8593 1165784 Maybridge3_000852 CCOC(=O)C(Cc1c(C)c(C)c(C)c(C)c1C)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G17 compound treatment 0.261 0.0261 1.29 0.267 0.0223 1.22 1.7771 0.9997 1054634 Maybridge3_000853 Nc1ncc(OCc2ccccc2)c(O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G18 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 1392212 Maybridge3_000854 Clc1ccc(cc1)c2noc(CN3CCOCC3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G19 compound treatment 0.249 0.0141 0.7 0.253 0.00833 0.46 0.8153 0.9792 2075615 Maybridge3_000855 O/N=C(\CN1CCCCC1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G20 compound treatment 0.284 0.0491 2.42 0.261 0.0163 0.9 2.3476 0.9083 2075616 Maybridge3_000856 FC(F)(F)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G21 compound treatment 0.253 0.0181 0.89 0.253 0.00833 0.46 0.955 0.9515 2075617 Maybridge3_000857 C/C(=N\O)/C(=C)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G22 compound treatment 0.242 0.0071 0.35 0.237 -0.00767 -0.42 -0.0494 -0.0903 1617420 Maybridge3_000858 Cc1ccc-2c(NC(c3cccn32)c4ccc(cc4)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G23 mock treatment 0.25 0.0151 0.75 0.252 0.00733 0.4 0.8115 0.958 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 G24 mock treatment 0.221 -0.0139 -0.69 0.245 3.33E-4 0.02 -0.4725 -0.688 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H01 compound treatment 0.238 0.0031 0.15 0.243 -0.00167 -0.09 0.0435 0.2443 2075618 Maybridge3_000859 CCOC(=O)C(C(Nc1ccc(F)cc1)c2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H02 compound treatment 0.254 0.0191 0.94 0.246 0.00133 0.07 0.7185 0.7596 2075619 Maybridge3_000860 CN(C)C(=S)SCc1c(C)onc1c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H03 compound treatment 0.245 0.0101 0.5 0.253 0.00833 0.46 0.6756 0.9991 2075620 Maybridge3_000861 COC(=S)Nc1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H04 compound treatment 0.256 0.0211 1.04 0.254 0.00933 0.51 1.0985 0.9464 2075621 Maybridge3_000862 Nc1cccc(F)c1C(=O)NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H05 compound treatment 0.259 0.0241 1.19 0.259 0.0143 0.79 1.3971 0.9797 1122553 Maybridge3_000863 Cc1ncc(CSc2ccccc2N)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H06 compound treatment 0.255 0.0201 0.99 0.256 0.0113 0.62 1.1411 0.9746 2075622 Maybridge3_000864 CC(=O)NCc1c(Cl)cccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H07 compound treatment 0.256 0.0211 1.04 0.257 0.0123 0.68 1.2148 0.9781 1406262 Maybridge3_000865 Fc1cccc(F)c1C(=O)Nc2ccc(nc2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H08 compound treatment 0.257 0.0221 1.09 0.258 0.0133 0.73 1.2885 0.981 2075623 Maybridge3_000866 CC1(CO)CS/C(=N\c2ccc(F)cc2F)/N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H09 compound treatment 0.24 0.0051 0.25 0.243 -0.00167 -0.09 0.1134 0.4233 1240423 Maybridge3_000867 Fc1cccc(F)c1C(=O)Oc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H10 compound treatment 0.258 0.0231 1.14 0.259 0.0143 0.79 1.3622 0.9835 1428324 Maybridge3_000868 Clc1cc(Cl)cc(NC(=O)CCN2CCOCC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H11 compound treatment 0.24 0.0051 0.25 0.237 -0.00767 -0.42 -0.1193 -0.2434 2075624 Maybridge3_000869 FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=N)c2ccncc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H12 compound treatment 0.25 0.0151 0.75 0.25 0.00533 0.29 0.7339 0.9165 2075625 Maybridge3_000870 Cc1nn(C)c(C)c1Cc2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H13 compound treatment 0.254 0.0191 0.94 0.257 0.0123 0.68 1.145 0.9867 1163257 Maybridge3_000871 Cc1onc(c1C(=O)N(CC=C)CC=C)c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H14 compound treatment 0.264 0.0291 1.44 0.265 0.0203 1.11 1.8043 0.9921 2075626 Maybridge3_000872 O=C(/C=C/1\NC(=O)CS1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H15 compound treatment 0.254 0.0191 0.94 0.257 0.0123 0.68 1.145 0.9867 2075627 Maybridge3_000873 Cc1nnsc1C(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H16 compound treatment 0.258 0.0231 1.14 0.251 0.00633 0.35 1.052 0.8824 2075628 Maybridge3_000874 Cc1c(C)c(C)c(CN2CCSCC2)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H17 compound treatment 0.262 0.0271 1.34 0.267 0.0223 1.22 1.812 0.999 1289132 Maybridge3_000875 Fc1cccc(NCc2cccnc2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H18 compound treatment 0.26 0.0251 1.24 0.256 0.0113 0.62 1.3157 0.949 2075629 Maybridge3_000876 N#Cc1cnc(nc1c2cccs2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H19 compound treatment 0.258 0.0231 1.14 0.259 0.0143 0.79 1.3622 0.9835 2075630 Maybridge3_000877 CSc1nnc(s1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H20 compound treatment 0.236 0.0011 0.05 0.24 -0.00467 -0.26 -0.1426 -0.5454 2075631 Maybridge3_000878 Cc1cc(cc(C)c1F)S(=O)(=O)Nc2ccc(F)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H21 compound treatment 0.25 0.0151 0.75 0.251 0.00633 0.35 0.7727 0.9396 2075632 Maybridge3_000879 CN(C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H22 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 1470715 Maybridge3_000880 Cc1ncc(CSc2nc(cs2)C(C)(C)C)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H23 mock treatment 0.257 0.0221 1.09 0.252 0.00733 0.4 1.0559 0.908 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 H24 mock treatment 0.24 0.0051 0.25 0.253 0.00833 0.46 0.5011 0.9605 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I01 compound treatment 0.247 0.0121 0.6 0.249 0.00433 0.24 0.5904 0.9184 1627512 Maybridge3_000881 OC(C(O)C(=O)N1CCCC1)C(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I02 compound treatment 0.257 0.0221 1.09 0.255 0.0103 0.57 1.1722 0.9534 1244598 Maybridge3_000882 NC(=O)c1cc(nc2ccc(Br)cc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I03 compound treatment 0.256 0.0211 1.04 0.258 0.0133 0.73 1.2536 0.985 1200031 Maybridge3_000883 O=C(N1CCN(CC1)c2cccc3[nH]ccc23)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I04 compound treatment 0.254 0.0191 0.94 0.255 0.0103 0.57 1.0674 0.9703 2075633 Maybridge3_000884 N#CCSc1nsc(SCC#N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I05 compound treatment 0.26 0.0251 1.24 0.256 0.0113 0.62 1.3157 0.949 1240063 Maybridge3_000885 CN1C2CCC1CC(C2)NS(=O)(=O)c3ccc(NC(=O)C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I06 compound treatment 0.318 0.0831 4.1 0.311 0.0663 3.64 5.4733 0.9982 2075634 Maybridge3_000886 Clc1ccc(/C=C\2/C(=O)Nc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I07 compound treatment 0.26 0.0251 1.24 0.251 0.00633 0.35 1.1219 0.8717 1259827 Maybridge3_000887 COC(=O)c1c(O)c2ccccc2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I08 compound treatment 0.26 0.0251 1.24 0.263 0.0183 1.01 1.5871 0.9946 2075635 Maybridge3_000888 CSC1=C(C#N)C(=O)NC(S1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I09 compound treatment 0.253 0.0181 0.89 0.259 0.0143 0.79 1.1876 0.9979 2075636 Maybridge3_000889 CC1(C)C2CCC1(C)c3n[nH]c(c23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I10 compound treatment 0.292 0.0571 2.82 0.286 0.0413 2.27 3.5962 0.9941 1405984 Maybridge3_000890 Clc1ccc(cc1Cl)C(=O)Nc2ccccc2C(=O)NCCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I11 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 2075637 Maybridge3_000891 C/C(=N/O)/C1(CCCC2CCC1)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I12 compound treatment 0.263 0.0281 1.39 0.256 0.0113 0.62 1.4205 0.9344 1604606 Maybridge3_000892 CCC(O)(c1ccccc1)c2ccccc2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I13 compound treatment 0.263 0.0281 1.39 0.259 0.0143 0.79 1.5368 0.9638 1343794 Maybridge3_000893 CCOC(=O)CSCN1CCCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I14 compound treatment 0.259 0.0241 1.19 0.256 0.0113 0.62 1.2808 0.9541 1420540 Maybridge3_000894 Cc1c(C)c(C)c(C(=O)CCCC(=O)O)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I15 compound treatment 0.257 0.0221 1.09 0.253 0.00833 0.46 1.0947 0.9253 2075638 Maybridge3_000895 CN(C)C(=O)COc1ccc2ccccc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I16 compound treatment 0.255 0.0201 0.99 0.249 0.00433 0.24 0.8697 0.8523 2075639 Maybridge3_000896 O=C/1Nc2ccccc2\C1=C/C3CC4CC3C=C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I17 compound treatment 0.265 0.0301 1.49 0.268 0.0233 1.28 1.9556 0.9972 2075640 Maybridge3_000897 Cn1c2CCC(Cn3ccnc3)C(=O)c2c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I18 compound treatment 0.259 0.0241 1.19 0.259 0.0143 0.79 1.3971 0.9797 1457705 Maybridge3_000898 Clc1ccc(cc1)c2noc(CN3CCCC3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I19 compound treatment 0.257 0.0221 1.09 0.255 0.0103 0.57 1.1722 0.9534 1264910 Maybridge3_000899 COC(=O)c1ccc(NC(=O)C)c(c1)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I20 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 2075641 Maybridge3_000900 FC(F)(F)c1cccc(CSC2=NCCCN2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I21 compound treatment 0.251 0.0161 0.79 0.256 0.0113 0.62 1.0015 0.9926 1342131 Maybridge3_000901 CCOC(=O)C1(CCC(=NO)CC1)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I22 compound treatment 0.257 0.0221 1.09 0.258 0.0133 0.73 1.2885 0.981 2075642 Maybridge3_000902 Cc1ccnc(NC(=O)CSc2ccccn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I23 mock treatment 0.253 0.0181 0.89 0.255 0.0103 0.57 1.0325 0.9758 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 I24 mock treatment 0.214 -0.0209 -1.03 0.255 0.0103 0.57 -0.3293 -0.2796 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J01 compound treatment 0.261 0.0261 1.29 0.258 0.0133 0.73 1.4282 0.9639 1694044 Maybridge3_000903 CCNc1cc(=N)n(CC)c2sc(C(=O)OCC)c(N)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J02 compound treatment 0.247 0.0121 0.6 0.248 0.00333 0.18 0.5516 0.883 2075643 Maybridge3_000904 CN(C)C(=S)SCc1nc(no1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J03 compound treatment 0.251 0.0161 0.79 0.254 0.00933 0.51 0.9239 0.9773 2075644 Maybridge3_000905 COC(=S)Nc1ccc(Cl)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J04 compound treatment 0.252 0.0171 0.84 0.251 0.00633 0.35 0.8425 0.9229 2075645 Maybridge3_000906 Cc1c(C)c(sc1C(=O)N)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J05 compound treatment 0.29 0.0551 2.72 0.304 0.0593 3.25 4.2242 0.9961 2075646 Maybridge3_000907 Cc1ncc(CSc2ccccc2/N=C/c3cc(Cl)cc(Cl)c3O)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J06 compound treatment 0.252 0.0171 0.84 0.248 0.00333 0.18 0.7262 0.8407 2075647 Maybridge3_000908 CC(=N)NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J07 compound treatment 0.254 0.0191 0.94 0.259 0.0143 0.79 1.2225 0.9959 2075648 Maybridge3_000909 CSc1nc2c(C)c(C)c(C)c(C)c2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J08 compound treatment 0.256 0.0211 1.04 0.255 0.0103 0.57 1.1373 0.959 1259138 Maybridge3_000910 CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J09 compound treatment 0.259 0.0241 1.19 0.253 0.00833 0.46 1.1645 0.9136 2075649 Maybridge3_000911 N/C(=N\O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J10 compound treatment 0.279 0.0441 2.18 0.276 0.0313 1.72 2.7546 0.9931 1484889 Maybridge3_000912 OC(COc1ccc(Cl)cc1Cl)Cn2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J11 compound treatment 0.255 0.0201 0.99 0.251 0.00633 0.35 0.9473 0.901 2075650 Maybridge3_000913 C=C(CN1CCN(CC(=C)C#N)CC1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J12 compound treatment 0.254 0.0191 0.94 0.251 0.00633 0.35 0.9124 0.9079 2075651 Maybridge3_000914 CSC1=C(C#N)C(=O)NC(S1)c2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J13 compound treatment 0.254 0.0191 0.94 0.249 0.00433 0.24 0.8348 0.8584 2075652 Maybridge3_000915 CSc1ccc(Cl)cc1NC(=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J14 compound treatment 0.253 0.0181 0.89 0.25 0.00533 0.29 0.8387 0.892 2075653 Maybridge3_000916 O=C(/C=C/1\NC(=O)CS1)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J15 compound treatment 0.249 0.0141 0.7 0.249 0.00433 0.24 0.6602 0.8976 1172931 Maybridge3_000917 COc1ccc(cc1OC)S(=O)(=O)NCc2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J16 compound treatment 0.257 0.0221 1.09 0.25 0.00533 0.29 0.9783 0.866 2075654 Maybridge3_000918 Clc1cccc(N2CCSCC2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J17 compound treatment 0.257 0.0221 1.09 0.26 0.0153 0.84 1.3661 0.9917 2075655 Maybridge3_000919 COC(=O)c1cccc(CS(=O)(=O)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J18 compound treatment 0.247 0.0121 0.6 0.246 0.00133 0.07 0.4741 0.7878 2075656 Maybridge3_000920 Cc1c(nnn1c2ccc(F)cc2F)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J19 compound treatment 0.26 0.0251 1.24 0.261 0.0163 0.9 1.5096 0.9873 2075657 Maybridge3_000921 OC(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J20 compound treatment 0.252 0.0171 0.84 0.253 0.00833 0.46 0.9201 0.9584 1413162 Maybridge3_000922 Clc1cccc(Cl)c1C(C#N)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J21 compound treatment 0.253 0.0181 0.89 0.251 0.00633 0.35 0.8774 0.9152 2075658 Maybridge3_000923 CS(=O)(=O)Cc1cc(Cl)cc2COCOc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J22 compound treatment 0.247 0.0121 0.6 0.249 0.00433 0.24 0.5904 0.9184 1613619 Maybridge3_000924 Cc1c(nnn1c2ccccc2Oc3ccc(Cl)cc3Cl)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J23 mock treatment 0.247 0.0121 0.6 0.248 0.00333 0.18 0.5516 0.883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 J24 mock treatment 0.237 0.0021 0.1 0.247 0.00233 0.13 0.1637 0.9945 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K01 compound treatment 0.25 0.0151 0.75 0.249 0.00433 0.24 0.6952 0.8884 2075659 Maybridge3_000925 Cn1c(nc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K02 compound treatment 0.274 0.0391 1.93 0.27 0.0253 1.39 2.3474 0.9869 2075660 Maybridge3_000926 Cc1c(C)c(C)c(CC#N)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K03 compound treatment 0.247 0.0121 0.6 0.249 0.00433 0.24 0.5904 0.9184 1360936 Maybridge3_000927 Clc1cccc(Cl)c1C(=O)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K04 compound treatment 0.269 0.0341 1.68 0.269 0.0243 1.33 2.134 0.9934 2075661 Maybridge3_000928 Cc1ncc(s1)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K05 compound treatment 0.262 0.0271 1.34 0.257 0.0123 0.68 1.4243 0.95 1458921 Maybridge3_000929 COc1ccccc1N2CCN(Cc3ccc(Cl)cc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K06 compound treatment 0.339 0.104 5.14 0.337 0.0923 5.06 7.2147 1.0 2075662 Maybridge3_000930 O=C/1Nc2ccccc2\C1=C/c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K07 compound treatment 0.25 0.0151 0.75 0.242 -0.00267 -0.15 0.4238 0.5578 1675252 Maybridge3_000931 CCC(C)c1ccc(NC(=O)CSc2ccccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K08 compound treatment 0.316 0.0811 4.0 0.297 0.0523 2.87 4.8607 0.9866 1645450 Maybridge3_000932 NC(=O)c1c(N)c(sc1SCc2ccccc2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K09 compound treatment 0.25 0.0151 0.75 0.251 0.00633 0.35 0.7727 0.9396 1015371 Maybridge3_000933 COc1c(CO)cc(C)cc1CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K10 compound treatment 0.286 0.0511 2.52 0.283 0.0383 2.1 3.2704 0.9959 2075663 Maybridge3_000934 N1C(c2cccn2-c3ccccc13)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K11 compound treatment 0.265 0.0301 1.49 0.258 0.0133 0.73 1.5679 0.9466 1922165 Maybridge3_000935 CC1(CC(=O)O1)C2(CC3CC4CC(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K12 compound treatment 0.254 0.0191 0.94 0.251 0.00633 0.35 0.9124 0.9079 2075664 Maybridge3_000936 Nc1ccccc1C(O)(Cc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K13 compound treatment 0.297 0.0621 3.07 0.26 0.0153 0.84 2.7628 0.8689 2075665 Maybridge3_000937 FC(F)(F)c1cc([nH]n1)c2ccc(cc2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K14 compound treatment 0.255 0.0201 0.99 0.254 0.00933 0.51 1.0636 0.9525 1667855 Maybridge3_000938 Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)N3CCOCC3)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K15 compound treatment 0.252 0.0171 0.84 0.252 0.00733 0.4 0.8813 0.9424 1010990 Maybridge3_000939 OC(C(=O)OCc1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K16 compound treatment 0.261 0.0261 1.29 0.255 0.0103 0.57 1.3119 0.9319 2075666 Maybridge3_000940 COc1ccc(cc1CN2CCCC2)/C(=N/O)/C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K17 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 2075667 Maybridge3_000941 C/C(=N\O)/c1nnn(c1C)c2cc(ccc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K18 compound treatment 0.251 0.0161 0.79 0.253 0.00833 0.46 0.8852 0.9654 1618782 Maybridge3_000942 CCOC(=O)C1CCN(Cc2nc(no2)c3ccc(Cl)cc3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K19 compound treatment 0.251 0.0161 0.79 0.252 0.00733 0.4 0.8464 0.9501 1474567 Maybridge3_000943 O=C(NC1CC2CCC1CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K20 compound treatment 0.256 0.0211 1.04 0.254 0.00933 0.51 1.0985 0.9464 1733607 Maybridge3_000944 Cc1cc(C)c(C(=O)Nc2ccccc2)c(CC(C)(C)C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K21 compound treatment 0.246 0.0111 0.55 0.248 0.00333 0.18 0.5167 0.8945 1193355 Maybridge3_000945 COc1ccc(cc1)C2(CC3CC4CC(O)(C3)C2)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K22 compound treatment 0.255 0.0201 0.99 0.252 0.00733 0.4 0.9861 0.9209 1565286 Maybridge3_000946 Oc1nc(CN2CCOCC2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K23 mock treatment 0.25 0.0151 0.75 0.25 0.00533 0.29 0.7339 0.9165 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 K24 mock treatment 0.234 -9.03E-4 -0.04 0.248 0.00333 0.18 0.0977 0.5193 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L01 compound treatment 0.242 0.0071 0.35 0.243 -0.00167 -0.09 0.1832 0.5058 1035084 Maybridge3_000947 NS(=O)(=O)c1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L02 compound treatment 0.257 0.0221 1.09 0.256 0.0113 0.62 1.211 0.9644 2075668 Maybridge3_000948 CCc1cccc(C(C)C)c1NC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L03 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 2075669 Maybridge3_000949 COC(=S)Nc1ccc(F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L04 compound treatment 0.255 0.0201 0.99 0.254 0.00933 0.51 1.0636 0.9525 1575534 Maybridge3_000950 Nc1cc(nn1CCC#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L05 compound treatment 0.261 0.0261 1.29 0.255 0.0103 0.57 1.3119 0.9319 2075670 Maybridge3_000951 N#CCc1nnc([nH]1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L06 compound treatment 0.26 0.0251 1.24 0.258 0.0133 0.73 1.3933 0.9683 1316531 Maybridge3_000952 Oc1ccc(Br)cc1C(=O)NCCc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L07 compound treatment 0.247 0.0121 0.6 0.248 0.00333 0.18 0.5516 0.883 2075671 Maybridge3_000953 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2noc(CN3CCOCC3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L08 compound treatment 0.252 0.0171 0.84 0.253 0.00833 0.46 0.9201 0.9584 2075672 Maybridge3_000954 OCC1(CO)CS/C(=N\c2ccc(F)c(Cl)c2)/N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L09 compound treatment 0.25 0.0151 0.75 0.252 0.00733 0.4 0.8115 0.958 2075673 Maybridge3_000955 Clc1ccc(Cl)c(NC(=O)CC2SC(=NC2=O)NC3CC4CC3C=C4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L10 compound treatment 0.248 0.0131 0.65 0.25 0.00533 0.29 0.6641 0.9356 2075674 Maybridge3_000956 Cc1cc(nn1c2ccccc2)C(=O)n3nc(C)c(Br)c3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L11 compound treatment 0.27 0.0351 1.73 0.268 0.0233 1.28 2.1302 0.9888 2075675 Maybridge3_000957 NC1=C(C#N)C(C(=C(O1)c2cccs2)C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L12 compound treatment 0.249 0.0141 0.7 0.249 0.00433 0.24 0.6602 0.8976 2075676 Maybridge3_000958 Clc1ccccc1NC2=C(C#N)C(=O)NC(S2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L13 compound treatment 0.26 0.0251 1.24 0.259 0.0143 0.79 1.432 0.9758 2075677 Maybridge3_000959 Fc1cccc(Cl)c1CN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L14 compound treatment 0.251 0.0161 0.79 0.251 0.00633 0.35 0.8076 0.931 2075678 Maybridge3_000960 Cc1nn(c(C)c1C#N)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L15 compound treatment 0.257 0.0221 1.09 0.258 0.0133 0.73 1.2885 0.981 2075679 Maybridge3_000961 NC(=O)c1snnc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L16 compound treatment 0.267 0.0321 1.58 0.256 0.0113 0.62 1.5602 0.9164 2075680 Maybridge3_000962 CSc1ccc(Oc2cc(F)ccc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L17 compound treatment 0.265 0.0301 1.49 0.262 0.0173 0.95 1.7229 0.9767 2075681 Maybridge3_000963 COC(=O)c1ccccc1CS(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L18 compound treatment 0.252 0.0171 0.84 0.257 0.0123 0.68 1.0752 0.9939 2075682 Maybridge3_000964 Fc1ccccc1C(=O)Oc2cc(Cl)cc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L19 compound treatment 0.267 0.0321 1.58 0.271 0.0263 1.44 2.1417 0.9989 2075683 Maybridge3_000965 Fc1cccc(Cl)c1CSc2nnc(s2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L20 compound treatment 0.255 0.0201 0.99 0.256 0.0113 0.62 1.1411 0.9746 2075684 Maybridge3_000966 N#CCSc1nsc(SCC#N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L21 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 1042868 Maybridge3_000967 O=C(C1CCCCC1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L22 compound treatment 0.251 0.0161 0.79 0.252 0.00733 0.4 0.8464 0.9501 2075685 Maybridge3_000968 Cc1c(nnn1c2cccc(Cl)c2C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L23 mock treatment 0.255 0.0201 0.99 0.254 0.00933 0.51 1.0636 0.9525 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 L24 mock treatment 0.226 -0.0089 -0.44 0.246 0.00133 0.07 -0.2592 -0.5815 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M01 compound treatment 0.217 -0.0179 -0.88 0.231 -0.0137 -0.75 -1.155 -0.9966 1247573 Maybridge3_000969 OC1(CCC2C1CCC2(O)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M02 compound treatment 0.249 0.0141 0.7 0.253 0.00833 0.46 0.8153 0.9792 2075686 Maybridge3_000970 O=C(CC1S/C(=N/c2ccccc2)/NC1=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M03 compound treatment 0.25 0.0151 0.75 0.249 0.00433 0.24 0.6952 0.8884 1300102 Maybridge3_000971 Clc1ccc(cc1)C(=O)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M04 compound treatment 0.256 0.0211 1.04 0.255 0.0103 0.57 1.1373 0.959 2075687 Maybridge3_000972 CC(C)c1ccc(/N=C/c2ccc(NC(=O)C)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M05 compound treatment 0.26 0.0251 1.24 0.258 0.0133 0.73 1.3933 0.9683 1560877 Maybridge3_000973 COc1ccccc1N2CCN(Cc3ccccc3F)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M06 compound treatment 0.348 0.113 5.58 0.35 0.105 5.78 8.0329 0.9999 2075688 Maybridge3_000974 O=C/1Nc2ccccc2\C1=C/c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M07 compound treatment 0.257 0.0221 1.09 0.254 0.00933 0.51 1.1334 0.9404 1054918 Maybridge3_000975 COc1ccc(cc1Br)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M08 compound treatment 0.274 0.0391 1.93 0.27 0.0253 1.39 2.3474 0.9869 2075689 Maybridge3_000976 COc1cc(ccc1O)C2NC(=O)C(=C(Nc3cccc(C)c3)S2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M09 compound treatment 0.25 0.0151 0.75 0.253 0.00833 0.46 0.8502 0.9724 2075690 Maybridge3_000977 CC1(C)C2CCC1(C)c3nc(N)nc(c23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M10 compound treatment 0.29 0.0551 2.72 0.288 0.0433 2.38 3.6039 0.9977 1622986 Maybridge3_000978 Nc1nc(nc2sc3CCCCCc3c12)c4ccncc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M11 compound treatment 0.252 0.0171 0.84 0.256 0.0113 0.62 1.0364 0.9886 2075691 Maybridge3_000979 COC(=O)C1(CCC(=O)C2(CCC1=O)C(=O)OC)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M12 compound treatment 0.257 0.0221 1.09 0.256 0.0113 0.62 1.211 0.9644 2075692 Maybridge3_000980 O/N=C(\c1ccccc1)/c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M13 compound treatment 0.259 0.0241 1.19 0.251 0.00633 0.35 1.087 0.8769 2075693 Maybridge3_000981 C/S(=N\S(=O)(=O)c1ccccc1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M14 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 2075694 Maybridge3_000982 COc1cc(CSC2=NCCN2)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M15 compound treatment 0.248 0.0131 0.65 0.251 0.00633 0.35 0.7029 0.9575 1051739 Maybridge3_000983 OC(=O)CNC(=O)Cc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M16 compound treatment 0.262 0.0271 1.34 0.259 0.0143 0.79 1.5019 0.9678 2075695 Maybridge3_000984 NC(=N)SCc1nc(no1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M17 compound treatment 0.255 0.0201 0.99 0.255 0.0103 0.57 1.1024 0.9647 1074888 Maybridge3_000985 O=C1CCCC(=O)C1CCC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M18 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 1426775 Maybridge3_000986 CC1CCN(Cc2nc(no2)c3ccc(Cl)cc3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M19 compound treatment 0.25 0.0151 0.75 0.251 0.00633 0.35 0.7727 0.9396 2075696 Maybridge3_000987 NC(=O)C1CC2CCC1CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M20 compound treatment 0.253 0.0181 0.89 0.258 0.0133 0.73 1.1488 0.995 2075697 Maybridge3_000988 Nc1ccccc1SCc2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M21 compound treatment 0.249 0.0141 0.7 0.248 0.00333 0.18 0.6215 0.8635 1537706 Maybridge3_000989 COC(=O)C1(CC2CC3C1)CC(C2)(C3)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M22 compound treatment 0.252 0.0171 0.84 0.252 0.00733 0.4 0.8813 0.9424 2075698 Maybridge3_000990 O=c1[nH]c(CN2CCCCC2)nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M23 mock treatment 0.248 0.0131 0.65 0.25 0.00533 0.29 0.6641 0.9356 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 M24 mock treatment 0.216 -0.0189 -0.93 0.246 0.00133 0.07 -0.6084 -0.6497 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N01 compound treatment 0.221 -0.0139 -0.69 0.235 -0.00967 -0.53 -0.8603 -0.9918 2075699 Maybridge3_000991 FC(F)(F)c1cccc(c1)S(=O)(=O)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N02 compound treatment 0.249 0.0141 0.7 0.251 0.00633 0.35 0.7378 0.9484 2075700 Maybridge3_000992 CCOC(=S)SCc1nc(no1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N03 compound treatment 0.252 0.0171 0.84 0.251 0.00633 0.35 0.8425 0.9229 1121997 Maybridge3_000993 COc1cccc(Oc2ccccc2C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N04 compound treatment 0.257 0.0221 1.09 0.255 0.0103 0.57 1.1722 0.9534 2075701 Maybridge3_000994 Cc1ccc(cc1)c2nc(O)cc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N05 compound treatment 0.246 0.0111 0.55 0.239 -0.00567 -0.31 0.1678 0.2663 2075702 Maybridge3_000995 FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc2cccnc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N06 compound treatment 0.253 0.0181 0.89 0.246 0.00133 0.07 0.6836 0.7624 2075703 Maybridge3_000996 Clc1cccc(c1C#N)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N07 compound treatment 0.254 0.0191 0.94 0.253 0.00833 0.46 0.9899 0.9447 2075704 Maybridge3_000997 OC(=O)c1nnn(c1c2ccccc2)c3cccc(c3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N08 compound treatment 0.268 0.0331 1.63 0.26 0.0153 0.84 1.7502 0.9522 2075705 Maybridge3_000998 CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c2cccc(F)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N09 compound treatment 0.251 0.0161 0.79 0.25 0.00533 0.29 0.7688 0.9078 2075706 Maybridge3_000999 OC(=O)c1ccc(CSc2ccc(Cl)cc2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N10 compound treatment 0.266 0.0311 1.54 0.262 0.0173 0.95 1.7579 0.9734 2075707 Maybridge3_001000 Cn1nccc1c2cc(Cl)cc(Cl)c2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N11 compound treatment 0.245 0.0101 0.5 0.251 0.00633 0.35 0.5981 0.9844 1102307 Maybridge3_001001 N#CC(CN1CCOCC1)CN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N12 compound treatment 0.263 0.0281 1.39 0.254 0.00933 0.51 1.3429 0.9081 1633599 Maybridge3_001002 Fc1ccc(NC(=O)CCCC(=O)Nc2ccc(F)cc2F)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N13 compound treatment 0.256 0.0211 1.04 0.254 0.00933 0.51 1.0985 0.9464 1719890 Maybridge3_001003 Fc1cccc(Cl)c1CN2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N14 compound treatment 0.25 0.0151 0.75 0.251 0.00633 0.35 0.7727 0.9396 2075708 Maybridge3_001004 O/N=C/c1cc(Cl)cs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N15 compound treatment 0.256 0.0211 1.04 0.253 0.00833 0.46 1.0597 0.9316 2075709 Maybridge3_001005 N/C(=N\O)/c1snnc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N16 compound treatment 0.26 0.0251 1.24 0.248 0.00333 0.18 1.0056 0.8027 2075710 Maybridge3_001006 Clc1ccc(C(=O)N2CCSCC2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N17 compound treatment 0.255 0.0201 0.99 0.264 0.0193 1.06 1.4513 0.9995 1150414 Maybridge3_001007 OCCNc1cccc(F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N18 compound treatment 0.252 0.0171 0.84 0.249 0.00433 0.24 0.765 0.8722 2075711 Maybridge3_001008 CSCC(=N)NS(=O)(=O)c1ccc(Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N19 compound treatment 0.255 0.0201 0.99 0.253 0.00833 0.46 1.0248 0.938 2075712 Maybridge3_001009 CCOC(=O)C(C#N)C(=O)c1c(C)onc1c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N20 compound treatment 0.256 0.0211 1.04 0.254 0.00933 0.51 1.0985 0.9464 1641517 Maybridge3_001010 Fc1cccc(NCCc2ccc(Cl)cc2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N21 compound treatment 0.252 0.0171 0.84 0.255 0.0103 0.57 0.9976 0.9812 2075713 Maybridge3_001011 CS/C(=N\c1ccccc1F)/Nc2ccccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N22 compound treatment 0.246 0.0111 0.55 0.245 3.33E-4 0.02 0.4004 0.7303 2075714 Maybridge3_001012 CCOC(=S)SCc1cc(F)cc2COCOc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N23 mock treatment 0.25 0.0151 0.75 0.252 0.00733 0.4 0.8115 0.958 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 N24 mock treatment 0.211 -0.0239 -1.18 0.236 -0.00867 -0.48 -1.1707 -0.92 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O01 compound treatment 0.231 -0.0039 -0.19 0.225 -0.0197 -1.08 -0.8988 -0.8205 2075715 Maybridge3_001013 N1C(Oc2ccccc12)C3Nc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O02 compound treatment 0.248 0.0131 0.65 0.247 0.00233 0.13 0.5478 0.8309 2073392 Maybridge3_001014 NC(=N)SCc1ccc(F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O03 compound treatment 0.246 0.0111 0.55 0.246 0.00133 0.07 0.4392 0.7944 1532488 Maybridge3_001015 O=S(=O)(N1CCN(CC1)c2cccc3[nH]ccc23)c4ccc(C#N)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O04 compound treatment 0.244 0.0091 0.45 0.249 0.00433 0.24 0.4856 0.9557 2075716 Maybridge3_001016 Oc1ccc(Cl)cc1/C=N/c2ccc3cn[nH]c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O05 compound treatment 0.255 0.0201 0.99 0.249 0.00433 0.24 0.8697 0.8523 1307355 Maybridge3_001017 COc1ccccc1N2CCN(Cc3ccc(C)cc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O06 compound treatment 0.251 0.0161 0.79 0.25 0.00533 0.29 0.7688 0.9078 2075717 Maybridge3_001018 CCOc1cc(OCC)c(/C=N/O)c(OCC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O07 compound treatment 0.248 0.0131 0.65 0.245 3.33E-4 0.02 0.4702 0.7268 2075718 Maybridge3_001019 COc1cc(SC)c(OC)cc1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O08 compound treatment 0.254 0.0191 0.94 0.252 0.00733 0.4 0.9511 0.9278 2075719 Maybridge3_001020 Cc1cccc(NC2=C(C#N)C(=O)NC3(CCCC3)S2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O09 compound treatment 0.245 0.0101 0.5 0.244 -6.67E-4 -0.04 0.3267 0.6535 1399951 Maybridge3_001021 CC(=O)OCc1ccccc1S(=O)(=O)c2ccccc2COC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O10 compound treatment 0.263 0.0281 1.39 0.253 0.00833 0.46 1.3042 0.8928 2075720 Maybridge3_001022 COc1ccc(CC/C(=C\2/C(=O)Nc3ccccc23)/C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O11 compound treatment 0.249 0.0141 0.7 0.248 0.00333 0.18 0.6215 0.8635 2075721 Maybridge3_001023 CC1(CCCC2(CCC1)C(=O)O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O12 compound treatment 0.249 0.0141 0.7 0.25 0.00533 0.29 0.699 0.9258 2075722 Maybridge3_001024 NC(=N)SCc1cccc(C#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O13 compound treatment 0.26 0.0251 1.24 0.245 3.33E-4 0.02 0.8893 0.7175 1428708 Maybridge3_001025 OC(=O)Cc1ccccc1Sc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O14 compound treatment 0.249 0.0141 0.7 0.248 0.00333 0.18 0.6215 0.8635 2075723 Maybridge3_001026 COc1ccc(cc1CSc2ccccn2)/C(=N/O)/C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O15 compound treatment 0.246 0.0111 0.55 0.248 0.00333 0.18 0.5167 0.8945 1018022 Maybridge3_001027 OCC1C(CO)C2c3ccccc3C1c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O16 compound treatment 0.262 0.0271 1.34 0.253 0.00833 0.46 1.2693 0.8977 2075724 Maybridge3_001028 Clc1ccc(cc1)c2noc(CSC3=NCCN3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O17 compound treatment 0.24 0.0051 0.25 0.249 0.00433 0.24 0.346 0.9996 2075725 Maybridge3_001029 CCC(C)(C)/C(=N/O)/c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O18 compound treatment 0.252 0.0171 0.84 0.253 0.00833 0.46 0.9201 0.9584 1056307 Maybridge3_001030 Clc1ccccc1C2C(C#N)(C#N)C2(C#N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O19 compound treatment 0.246 0.0111 0.55 0.242 -0.00267 -0.15 0.2841 0.5009 2075726 Maybridge3_001031 CC(C)(O)C1(CCC2(C)CC1)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O20 compound treatment 0.237 0.0021 0.1 0.237 -0.00767 -0.42 -0.224 -0.5175 2075727 Maybridge3_001032 FC(F)(F)c1cc(NC(=O)CC#N)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O21 compound treatment 0.244 0.0091 0.45 0.245 3.33E-4 0.02 0.3306 0.7353 1451360 Maybridge3_001033 OC(C1CCNCC1)(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O22 compound treatment 0.251 0.0161 0.79 0.247 0.00233 0.13 0.6525 0.8105 1682023 Maybridge3_001034 Nc1ccccc1SCc2nc3ccccc3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O23 mock treatment 0.246 0.0111 0.55 0.249 0.00433 0.24 0.5555 0.93 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 O24 mock treatment 0.206 -0.0289 -1.43 0.238 -0.00667 -0.37 -1.2677 -0.8604 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P01 compound treatment 0.191 -0.0439 -2.17 0.191 -0.0537 -2.94 -3.6137 -0.9887 2075728 Maybridge3_001035 Cc1onc(c1C(=O)n2cccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P02 compound treatment 0.191 -0.0439 -2.17 0.229 -0.0157 -0.86 -2.1404 -0.9179 2075729 Maybridge3_001036 NC(=O)CC(=O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P03 compound treatment 0.232 -0.0029 -0.14 0.235 -0.00967 -0.53 -0.4762 -0.8672 1362369 Maybridge3_001037 CSC1=C(C#N)C(=O)NC2(CCCCC2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P04 compound treatment 0.214 -0.0209 -1.03 0.221 -0.0237 -1.3 -1.6475 -0.9936 1317178 Maybridge3_001038 O=c1cc(oc(=O)[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P05 compound treatment 0.244 0.0091 0.45 0.242 -0.00267 -0.15 0.2143 0.4535 2075730 Maybridge3_001039 NC(=O)CCNc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P06 compound treatment 0.217 -0.0179 -0.88 0.217 -0.0277 -1.52 -1.6978 -0.967 2075731 Maybridge3_001040 CSc1cccc(NC(=O)c2ccccc2F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P07 compound treatment 0.238 0.0031 0.15 0.236 -0.00867 -0.48 -0.2279 -0.4565 2075732 Maybridge3_001041 CC1CCN(Cc2nc(no2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P08 compound treatment 0.233 -0.0019 -0.09 0.233 -0.0117 -0.64 -0.5188 -0.8024 2075733 Maybridge3_001042 OCC1(CO)CS/C(=N\c2cc(Cl)cc(Cl)c2)/N1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P09 compound treatment 0.222 -0.0129 -0.64 0.242 -0.00267 -0.15 -0.5539 -0.8473 1723199 Maybridge3_001043 CN(C)c1c(F)cc(cc1F)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P10 compound treatment 0.24 0.0051 0.25 0.24 -0.00467 -0.26 -0.003 -0.0082 2075734 Maybridge3_001044 CC(C)(C)Sc1ccccc1/C=N/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P11 compound treatment 0.235 9.68E-5 0.0 0.208 -0.0367 -2.01 -1.4182 -0.7054 1707999 Maybridge3_001045 Nc1n[nH]c(Nc2cccc(Cl)c2Cl)c1C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P12 compound treatment 0.212 -0.0229 -1.13 0.219 -0.0257 -1.41 -1.7948 -0.9941 2075735 Maybridge3_001046 O=C(CCCC(=O)Nc1cccnc1)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P13 compound treatment 0.217 -0.0179 -0.88 0.216 -0.0287 -1.57 -1.7366 -0.963 2075736 Maybridge3_001047 O/N=C(/C(=O)c1ccco1)\c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P14 compound treatment 0.23 -0.0049 -0.24 0.215 -0.0297 -1.63 -1.3214 -0.8035 2075737 Maybridge3_001048 Fc1ccc(NC(=O)/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P15 compound treatment 0.204 -0.0309 -1.53 0.227 -0.0177 -0.97 -1.764 -0.9759 2075738 Maybridge3_001049 FC(F)(F)c1cc(cc(c1)S(=O)(=O)NCCCN2CCOCC2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P16 compound treatment 0.214 -0.0209 -1.03 0.225 -0.0197 -1.08 -1.4924 -0.9998 2075739 Maybridge3_001050 Fc1cccc(F)c1C(=O)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P17 compound treatment 0.225 -0.0099 -0.49 0.221 -0.0237 -1.3 -1.2634 -0.911 2075740 Maybridge3_001051 Clc1c(Br)ccc(N2CCCC2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P18 compound treatment 0.218 -0.0169 -0.83 0.223 -0.0217 -1.19 -1.4303 -0.9851 2075741 Maybridge3_001052 CN(NC(=N)C)c1cccc(F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P19 compound treatment 0.214 -0.0209 -1.03 0.234 -0.0107 -0.58 -1.1434 -0.9638 2075742 Maybridge3_001053 Clc1cccc(NCc2cccs2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P20 compound treatment 0.228 -0.0069 -0.34 0.23 -0.0147 -0.8 -0.8097 -0.927 2075743 Maybridge3_001054 Cc1cc(cc(C)c1F)S(=O)(=O)NC(=N)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P21 compound treatment 0.226 -0.0089 -0.44 0.238 -0.00667 -0.37 -0.5694 -0.9958 2075744 Maybridge3_001055 O=C(N(CC#N)CC#N)c1cccs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P22 compound treatment 0.196 -0.0389 -1.92 0.222 -0.0227 -1.24 -2.2372 -0.9778 1643711 Maybridge3_001056 Nc1nnc(SCc2cc(F)cc3COCOc23)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P23 mock treatment 0.216 -0.0189 -0.93 0.212 -0.0327 -1.79 -1.9266 -0.9539 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1433 P24 mock treatment 0.21 -0.0249 -1.23 0.213 -0.0317 -1.74 -2.0973 -0.9857 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A01 compound treatment 0.188 -0.0567 -2.8 0.18 -0.0618 -3.39 -4.3733 -0.9955 2075745 Maybridge3_001057 Cn1c(SCc2cc(F)cc3COCOc23)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A02 compound treatment 0.198 -0.0467 -2.3 0.2 -0.0418 -2.29 -3.2487 -1.0 2075746 Maybridge3_001058 CC1=C(OC(=O)c2cccs2)C(=O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A03 compound treatment 0.194 -0.0507 -2.5 0.203 -0.0388 -2.13 -3.2721 -0.9967 1367326 Maybridge3_001059 Cc1onc(c1C(O)c2ccc(F)cc2)c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A04 compound treatment 0.198 -0.0467 -2.3 0.2 -0.0418 -2.29 -3.2487 -1.0 2075747 Maybridge3_001060 CC1SCC(CS1)NS(=O)(=O)c2cc(Cl)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A05 compound treatment 0.2 -0.0447 -2.21 0.21 -0.0318 -1.74 -2.7912 -0.9932 1220212 Maybridge3_001061 Cc1nn(CCC#N)c(C)c1Cc2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A06 compound treatment 0.204 -0.0407 -2.01 0.214 -0.0278 -1.52 -2.4964 -0.9907 2075748 Maybridge3_001062 OC(=O)c1cccc(C(=O)O)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A07 compound treatment 0.186 -0.0587 -2.9 0.211 -0.0308 -1.69 -3.2412 -0.9669 1708285 Maybridge3_001063 Fc1c(CSC(=S)N2CCOCC2)cccc1CSC(=S)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A08 compound treatment 0.23 -0.0147 -0.72 0.204 -0.0378 -2.07 -1.9763 -0.9008 1248512 Maybridge3_001064 Cc1noc(C)c1S(=O)(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A09 compound treatment 0.234 -0.0107 -0.53 0.231 -0.0108 -0.59 -0.7898 -0.9983 2075749 Maybridge3_001065 Brc1ccc2oc(cc2c1)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A10 compound treatment 0.24 -0.00466 -0.23 0.217 -0.0248 -1.36 -1.1231 -0.8152 2075750 Maybridge3_001066 CS/C(=N\C#N)/NCc1c(N)cccc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A11 compound treatment 0.217 -0.0277 -1.37 0.219 -0.0228 -1.25 -1.8486 -0.999 2075751 Maybridge3_001067 CSC(=NS(=O)(=O)c1cc(Cl)sc1Cl)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A12 compound treatment 0.228 -0.0167 -0.82 0.23 -0.0118 -0.65 -1.0381 -0.9928 1418653 Maybridge3_001068 Nc1ccc(Oc2c(C#N)cccc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A13 compound treatment 0.228 -0.0167 -0.82 0.224 -0.0178 -0.97 -1.2707 -0.9964 2075752 Maybridge3_001069 O=S(=O)(CS(=O)(=O)NCc1cccs1)NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A14 compound treatment 0.213 -0.0317 -1.56 0.202 -0.0398 -2.18 -2.6474 -0.9867 2075753 Maybridge3_001070 CC(C)(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A15 compound treatment 0.216 -0.0287 -1.42 0.207 -0.0348 -1.91 -2.3488 -0.9892 2075754 Maybridge3_001071 CC(C)NC(=O)n1ccc(n1)c2sc(C)nc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A16 compound treatment 0.215 -0.0297 -1.46 0.217 -0.0248 -1.36 -1.996 -0.9993 1739347 Maybridge3_001072 Clc1ccc(cc1)S(=O)(=O)Nc2n[nH]c3cccc(Cl)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A17 compound treatment 0.213 -0.0317 -1.56 0.206 -0.0358 -1.96 -2.4923 -0.9937 2075755 Maybridge3_001073 COc1ccc(cc1)c2c[nH]nc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A18 compound treatment 0.23 -0.0147 -0.72 0.23 -0.0118 -0.65 -0.9682 -0.9984 1497137 Maybridge3_001074 Cc1cc(NC(=O)CSCC(=O)O)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A19 compound treatment 0.234 -0.0107 -0.53 0.23 -0.0118 -0.65 -0.8285 -0.9948 2075756 Maybridge3_001075 CN(C1CC2CC1C=C2)C(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A20 compound treatment 0.227 -0.0177 -0.87 0.22 -0.0218 -1.19 -1.4607 -0.9881 2075757 Maybridge3_001076 Oc1nccn(c2c(F)cccc2F)c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A21 compound treatment 0.23 -0.0147 -0.72 0.221 -0.0208 -1.14 -1.3172 -0.976 2075758 Maybridge3_001077 CS/C(=N\S(=O)(=O)c1ccccc1)/Nc2c(C)nn(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A22 compound treatment 0.222 -0.0227 -1.12 0.188 -0.0538 -2.95 -2.8759 -0.912 1497628 Maybridge3_001078 CC(C)(C)c1ccc(cc1)c2cc(=O)[nH]c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A23 mock treatment 0.205 -0.0397 -1.96 0.214 -0.0278 -1.52 -2.4615 -0.9923 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 A24 mock treatment 0.191 -0.0537 -2.65 0.184 -0.0578 -3.17 -4.1135 -0.9961 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B01 compound treatment 0.204 -0.0407 -2.01 0.206 -0.0358 -1.96 -2.8066 -0.9999 1552202 Maybridge3_001079 Cc1nccnc1c2ccnn2S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B02 compound treatment 0.25 0.00534 0.26 0.254 0.0122 0.67 0.6606 0.917 1394454 Maybridge3_001080 CC1C(OCCN1C(=O)c2c(C)onc2c3ccccc3Cl)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B03 compound treatment 0.256 0.0113 0.56 0.257 0.0152 0.83 0.9864 0.9812 1168145 Maybridge3_001081 Clc1ccc(cc1)c2cncn2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B04 compound treatment 0.254 0.00934 0.46 0.256 0.0142 0.78 0.8778 0.9686 2075759 Maybridge3_001082 OC(=O)c1ccc(/N=C/c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B05 compound treatment 0.259 0.0143 0.71 0.262 0.0202 1.11 1.2851 0.9766 1227005 Maybridge3_001083 CCn1cc(C(=O)O)c(=O)c2cc(Cl)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B06 compound treatment 0.252 0.00734 0.36 0.251 0.00923 0.51 0.6142 0.9867 1679835 Maybridge3_001084 N#CCc1ccc(NC2(C#N)C3CC4CC(C3)CC2C4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B07 compound treatment 0.255 0.0103 0.51 0.258 0.0162 0.89 0.9903 0.9653 1173406 Maybridge3_001085 CCNc1sc(C(=O)OC)c(N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B08 compound treatment 0.262 0.0173 0.86 0.262 0.0202 1.11 1.3898 0.9919 1222507 Maybridge3_001086 COc1cc(cc(OC)c1OC)C(=O)N(CCC#N)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B09 compound treatment 0.262 0.0173 0.86 0.264 0.0222 1.22 1.4674 0.9851 1481233 Maybridge3_001087 Cc1nnc(NC(=O)c2ccccc2NC(=O)c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B10 compound treatment 0.253 0.00834 0.41 0.248 0.00623 0.34 0.5328 0.9956 2075760 Maybridge3_001088 Cn1nc(cc1OC(=O)c2ccccc2Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B11 compound treatment 0.261 0.0163 0.81 0.266 0.0242 1.33 1.51 0.9715 2075761 Maybridge3_001089 COc1ccc(/C=C/2\CN(C)C/C(=C\c3ccc(OC)cc3)/C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B12 compound treatment 0.269 0.0243 1.2 0.26 0.0182 1.0 1.5567 0.9958 2075762 Maybridge3_001090 COc1cc(nc(N)n1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B13 compound treatment 0.253 0.00834 0.41 0.263 0.0212 1.16 1.1143 0.9026 2075763 Maybridge3_001091 CC1CNC(=N1)SCc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B14 compound treatment 0.292 0.0473 2.34 0.283 0.0412 2.26 3.2515 0.9999 1118789 Maybridge3_001092 COc1nc-2c(Cc3ccccc32)c(c4ccc[nH]4)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B15 compound treatment 0.255 0.0103 0.51 0.256 0.0142 0.78 0.9128 0.9789 2075764 Maybridge3_001093 CCc1nc(no1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B16 compound treatment 0.257 0.0123 0.61 0.261 0.0192 1.05 1.1764 0.9661 2075765 Maybridge3_001094 COC(=O)C1=C(N)Oc2ccccc2C1C(C#N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B17 compound treatment 0.26 0.0153 0.76 0.26 0.0182 1.0 1.2424 0.9907 2075766 Maybridge3_001095 CCOC(=O)/C(=C(\C)/c1ccc(NC(=O)C)cc1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B18 compound treatment 0.268 0.0233 1.15 0.266 0.0242 1.33 1.7544 0.9975 1619856 Maybridge3_001096 Cc1sc(N)c(C(=O)c2cccs2)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B19 compound treatment 0.254 0.00934 0.46 0.255 0.0132 0.73 0.8391 0.9762 2075767 Maybridge3_001097 Cc1ccc(cc1)c2cn3nc(sc3n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B20 compound treatment 0.253 0.00834 0.41 0.253 0.0112 0.62 0.7266 0.981 2075768 Maybridge3_001098 COC(=O)c1sccc1NC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B21 compound treatment 0.257 0.0123 0.61 0.251 0.00923 0.51 0.7887 0.9957 2075769 Maybridge3_001099 CC1CNC(=N1)c2ccccc2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B22 compound treatment 0.25 0.00534 0.26 0.248 0.00623 0.34 0.428 0.9919 1345582 Maybridge3_001100 CC1CN(CC(C)O1)c2ncnc3ccsc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B23 mock treatment 0.246 0.00134 0.07 0.251 0.00923 0.51 0.4046 0.7931 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 B24 mock treatment 0.228 -0.0167 -0.82 0.241 -7.74E-4 -0.04 -0.6116 -0.7426 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C01 compound treatment 0.234 -0.0107 -0.53 0.214 -0.0278 -1.52 -1.4489 -0.8993 2075770 Maybridge3_001101 CCOC(=S)SCc1cc(Br)cc(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C02 compound treatment 0.237 -0.00766 -0.38 0.242 2.26E-4 0.01 -0.2585 -0.6836 2075771 Maybridge3_001102 CC1=C(Sc2ccccc2)C(=NCCN1)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C03 compound treatment 0.239 -0.00566 -0.28 0.24 -0.00177 -0.1 -0.2663 -0.9004 1441511 Maybridge3_001103 Cc1onc(c1C(=O)c2ccccc2O)c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C04 compound treatment 0.24 -0.00466 -0.23 0.244 0.00223 0.12 -0.0763 -0.293 2075772 Maybridge3_001104 Cc1cc(C)n(n1)C2=NCCN2S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C05 compound treatment 0.242 -0.00266 -0.13 0.242 2.26E-4 0.01 -0.084 -0.6375 2075773 Maybridge3_001105 Cc1cc(cc(C)c1F)S(=O)(=O)NC(=N)c2ccc(cc2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C06 compound treatment 0.235 -0.00966 -0.48 0.243 0.00123 0.07 -0.2896 -0.6015 1630915 Maybridge3_001106 Clc1cccc(NC2CCSC2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C07 compound treatment 0.239 -0.00566 -0.28 0.24 -0.00177 -0.1 -0.2663 -0.9004 2075774 Maybridge3_001107 OC(=C(C#N)C#N)c1c(Cl)cccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C08 compound treatment 0.248 0.00334 0.17 0.252 0.0102 0.56 0.5133 0.8781 2075775 Maybridge3_001108 CSc1cc(n[nH]1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C09 compound treatment 0.243 -0.00166 -0.08 0.246 0.00423 0.23 0.106 0.4316 2075776 Maybridge3_001109 O=C(Nc1ccccc1)C(C#N)C(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C10 compound treatment 0.244 -6.55E-4 -0.03 0.243 0.00123 0.07 0.0246 0.3304 1406131 Maybridge3_001110 NC(=O)C1CCN(CC1)S(=O)(=O)c2cc(Cl)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C11 compound treatment 0.244 -6.55E-4 -0.03 0.241 -7.74E-4 -0.04 -0.0529 -0.991 2075777 Maybridge3_001111 Clc1cc(c(Cl)s1)S(=O)(=O)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C12 compound treatment 0.247 0.00234 0.12 0.246 0.00423 0.23 0.2457 0.9486 2075778 Maybridge3_001112 CC(C)(C)C(=O)NCCC1CC1(Cl)Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C13 compound treatment 0.334 0.0893 4.41 0.32 0.0782 4.29 6.1526 0.9999 1121384 Maybridge3_001113 Cn1ncc(c1N)c2nc(cs2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C14 compound treatment 0.233 -0.0117 -0.58 0.234 -0.00777 -0.43 -0.7084 -0.9891 2075779 Maybridge3_001114 COc1ccc(OCC(F)(F)F)c(c1)C(=O)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C15 compound treatment 0.239 -0.00566 -0.28 0.238 -0.00377 -0.21 -0.3438 -0.9891 2075780 Maybridge3_001115 CCc1c[nH]nc1c2c(F)cccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C16 compound treatment 0.274 0.0293 1.45 0.256 0.0142 0.78 1.5762 0.9578 1117781 Maybridge3_001116 Clc1cccc(Oc2ccc(cc2)c3ccn[nH]3)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C17 compound treatment 0.276 0.0313 1.55 0.262 0.0202 1.11 1.8787 0.9866 2075781 Maybridge3_001117 Clc1ccc(NC(=O)CC2=NC(=O)CS2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C18 compound treatment 0.247 0.00234 0.12 0.247 0.00523 0.29 0.2845 0.9205 1547445 Maybridge3_001118 Clc1cc(CN2CCSCC2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C19 compound treatment 0.255 0.0103 0.51 0.253 0.0112 0.62 0.7964 0.9957 2075782 Maybridge3_001119 C(=C/c1cc[nH]n1)\C=C\c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C20 compound treatment 0.253 0.00834 0.41 0.246 0.00423 0.23 0.4552 0.9629 1278984 Maybridge3_001120 COc1ccc(Oc2cccc(Cl)c2CNC(=O)c3ccccc3N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C21 compound treatment 0.278 0.0333 1.65 0.285 0.0432 2.37 2.8402 0.9842 2075783 Maybridge3_001121 Oc1ccccc1C(=C)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C22 compound treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 1103933 Maybridge3_001122 COC(=O)c1cc(O)n(C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C23 mock treatment 0.238 -0.00666 -0.33 0.243 0.00123 0.07 -0.1849 -0.5511 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 C24 mock treatment 0.223 -0.0217 -1.07 0.224 -0.0178 -0.97 -1.4453 -0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D01 compound treatment 0.244 -6.55E-4 -0.03 0.241 -7.74E-4 -0.04 -0.0529 -0.991 1671574 Maybridge3_001123 C1CN(CCO1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D02 compound treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 2075784 Maybridge3_001124 CC(NC(=O)C(C)(C)C)c1ccc(C)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D03 compound treatment 0.252 0.00734 0.36 0.25 0.00823 0.45 0.5754 0.9942 1248603 Maybridge3_001125 O=C(Nc1ccc(cc1)c2cnco2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D04 compound treatment 0.254 0.00934 0.46 0.248 0.00623 0.34 0.5677 0.989 2075785 Maybridge3_001126 CN(CCC#N)c1ccc(/C=N/c2ccc(cc2)C(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D05 compound treatment 0.251 0.00634 0.31 0.253 0.0112 0.62 0.6568 0.9509 1586772 Maybridge3_001127 CC1N(CCc2sccc12)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D06 compound treatment 0.246 0.00134 0.07 0.244 0.00223 0.12 0.1333 0.9591 1310916 Maybridge3_001128 CC1CC(C)(C)CC1(Nc2ccc(CC#N)cc2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D07 compound treatment 0.253 0.00834 0.41 0.256 0.0142 0.78 0.8429 0.9555 2075786 Maybridge3_001129 Cc1ccc(cc1)C(=O)CN2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D08 compound treatment 0.308 0.0633 3.13 0.295 0.0532 2.92 4.2755 0.9994 2075787 Maybridge3_001130 Fc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D09 compound treatment 0.249 0.00434 0.21 0.253 0.0112 0.62 0.5869 0.9005 2075788 Maybridge3_001131 Clc1ccc(cc1)c2nn3c(nnc3s2)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D10 compound treatment 0.248 0.00334 0.17 0.25 0.00823 0.45 0.4357 0.9071 2075789 Maybridge3_001132 Cn1nc(cc1OC(=O)c2cccs2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D11 compound treatment 0.25 0.00534 0.26 0.255 0.0132 0.73 0.6994 0.9063 1024629 Maybridge3_001133 CC(C)(C)c1nc2ccccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D12 compound treatment 0.265 0.0203 1.0 0.261 0.0192 1.05 1.4558 0.9997 2075790 Maybridge3_001134 O=C(C=C1SCCS1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D13 compound treatment 0.248 0.00334 0.17 0.259 0.0172 0.94 0.7846 0.8183 2075791 Maybridge3_001135 CC1CN=C(N1)SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D14 compound treatment 0.253 0.00834 0.41 0.251 0.00923 0.51 0.6491 0.9948 2075792 Maybridge3_001136 NC(=O)/C(=C/1\CCc2ccccc12)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D15 compound treatment 0.249 0.00434 0.21 0.25 0.00823 0.45 0.4706 0.9423 1373168 Maybridge3_001137 OC(=O)CCCc1nc(no1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D16 compound treatment 0.256 0.0113 0.56 0.257 0.0152 0.83 0.9864 0.9812 2075793 Maybridge3_001138 CCOC(=O)C1=C(N)Oc2ccccc2C1C(C#N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D17 compound treatment 0.269 0.0243 1.2 0.267 0.0252 1.38 1.8281 0.9976 1662876 Maybridge3_001139 OC(=O)CC1SC(=NC1=O)Cc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D18 compound treatment 0.26 0.0153 0.76 0.258 0.0162 0.89 1.1649 0.9968 1167009 Maybridge3_001140 CCOC(=O)c1cc(CC)sc1NC(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D19 compound treatment 0.251 0.00634 0.31 0.25 0.00823 0.45 0.5405 0.9842 1135722 Maybridge3_001141 Nc1ccc(Cl)cc1C(=O)NCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D20 compound treatment 0.247 0.00234 0.12 0.249 0.00723 0.4 0.362 0.8771 2075794 Maybridge3_001142 CCc1cc2c(OC(=O)N(C)C)ncnc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D21 compound treatment 0.268 0.0233 1.15 0.265 0.0232 1.27 1.7156 0.9988 1231291 Maybridge3_001143 Nc1ccc(c(Cl)c1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D22 compound treatment 0.248 0.00334 0.17 0.249 0.00723 0.4 0.3969 0.9248 1248952 Maybridge3_001144 Clc1cccc(Cl)c1CSc2nc3ccnn3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D23 mock treatment 0.251 0.00634 0.31 0.249 0.00723 0.4 0.5017 0.9932 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 D24 mock treatment 0.234 -0.0107 -0.53 0.243 0.00123 0.07 -0.3245 -0.6118 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E01 compound treatment 0.244 -6.55E-4 -0.03 0.24 -0.00177 -0.1 -0.0917 -0.8941 2075795 Maybridge3_001145 Cc1cc(C)n(n1)C2=NCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E02 compound treatment 0.253 0.00834 0.41 0.249 0.00723 0.4 0.5715 0.9998 2075796 Maybridge3_001146 CC1=C(OC(=O)/C=C/c2ccccc2)C(=O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E03 compound treatment 0.252 0.00734 0.36 0.247 0.00523 0.29 0.4591 0.9932 2075797 Maybridge3_001147 Fc1ccc(cc1)C(=O)C2CC2C(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E04 compound treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 2075798 Maybridge3_001148 ClC1(Cl)CC1CSC2=NCCN2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E05 compound treatment 0.269 0.0243 1.2 0.274 0.0322 1.77 2.0995 0.9824 1308755 Maybridge3_001149 Clc1cccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E06 compound treatment 0.253 0.00834 0.41 0.253 0.0112 0.62 0.7266 0.981 2075799 Maybridge3_001150 CSc1nnc(CCCO)n1c2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E07 compound treatment 0.262 0.0173 0.86 0.267 0.0252 1.38 1.5837 0.9735 1680663 Maybridge3_001151 CC1=C(O)C(=O)OC1c2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E08 compound treatment 0.261 0.0163 0.81 0.264 0.0222 1.22 1.4324 0.98 2075800 Maybridge3_001152 CSc1cc(nn1S(=O)(=O)c2ccc(Cl)cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E09 compound treatment 0.253 0.00834 0.41 0.257 0.0152 0.83 0.8817 0.9471 2075801 Maybridge3_001153 Cc1nn(cc1c2ccccc2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E10 compound treatment 0.261 0.0163 0.81 0.262 0.0202 1.11 1.3549 0.9878 2075802 Maybridge3_001154 Cc1ccnn1c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E11 compound treatment 0.254 0.00934 0.46 0.248 0.00623 0.34 0.5677 0.989 1665318 Maybridge3_001155 Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E12 compound treatment 0.256 0.0113 0.56 0.254 0.0122 0.67 0.8701 0.996 2075803 Maybridge3_001156 CS/C(=N\C#N)/NCCC1CC1(Cl)Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E13 compound treatment 0.247 0.00234 0.12 0.253 0.0112 0.62 0.5171 0.8256 2075804 Maybridge3_001157 OCCCc1[nH]nc(c1Br)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E14 compound treatment 0.254 0.00934 0.46 0.251 0.00923 0.51 0.684 0.9989 2075805 Maybridge3_001158 O=C1CC(CC(=O)C1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E15 compound treatment 0.246 0.00134 0.07 0.25 0.00823 0.45 0.3659 0.8026 2075806 Maybridge3_001159 CCc1cnc(N/C=N/O)nc1c2c(F)cccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E16 compound treatment 0.26 0.0153 0.76 0.257 0.0152 0.83 1.1261 0.9988 2075807 Maybridge3_001160 CC(C)(C)c1csc(=S)n1CCc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E17 compound treatment 0.264 0.0193 0.96 0.261 0.0192 1.05 1.4209 0.9988 2075808 Maybridge3_001161 Cc1c(cnn1c2ccccc2)c3ccnc(N)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E18 compound treatment 0.261 0.0163 0.81 0.259 0.0172 0.94 1.2386 0.9969 2075809 Maybridge3_001162 CC(NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E19 compound treatment 0.257 0.0123 0.61 0.253 0.0112 0.62 0.8663 1.0 2075810 Maybridge3_001163 Clc1cc(C(=O)CSc2ccccn2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E20 compound treatment 0.257 0.0123 0.61 0.254 0.0122 0.67 0.9051 0.9989 2075811 Maybridge3_001164 COC(=O)c1ccccc1N/C=N/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E21 compound treatment 0.253 0.00834 0.41 0.252 0.0102 0.56 0.6878 0.9885 1413743 Maybridge3_001165 Cc1nn(C)c(C)c1NC(=O)c2ccccc2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E22 compound treatment 0.251 0.00634 0.31 0.252 0.0102 0.56 0.618 0.9622 1540816 Maybridge3_001166 CS(=O)(=O)NCc1c(Cl)cccc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E23 mock treatment 0.25 0.00534 0.26 0.251 0.00923 0.51 0.5443 0.954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 E24 mock treatment 0.244 -6.55E-4 -0.03 0.24 -0.00177 -0.1 -0.0917 -0.8941 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F01 compound treatment 0.249 0.00434 0.21 0.245 0.00323 0.18 0.2768 0.9954 2075812 Maybridge3_001167 Cc1nc(CSc2ccc(Cl)cc2)cs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F02 compound treatment 0.295 0.0503 2.49 0.306 0.0642 3.52 4.248 0.9855 2075813 Maybridge3_001168 CC(NC(=O)/C=C/c1ccccc1)c2ccc(C)cc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F03 compound treatment 0.259 0.0143 0.71 0.255 0.0132 0.73 1.0137 0.9999 1247128 Maybridge3_001169 COC(=O)c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F04 compound treatment 0.257 0.0123 0.61 0.253 0.0112 0.62 0.8663 1.0 1200571 Maybridge3_001170 COc1ccc(CCNC(C#N)c2ccco2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F05 compound treatment 0.255 0.0103 0.51 0.259 0.0172 0.94 1.0291 0.9584 1379769 Maybridge3_001171 CC1N(CCc2sccc12)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F06 compound treatment 0.289 0.0443 2.19 0.284 0.0422 2.32 3.1855 0.9996 1504019 Maybridge3_001172 CN(C)c1ccc(c(Cl)c1)c2nc(=O)c3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F07 compound treatment 0.262 0.0173 0.86 0.262 0.0202 1.11 1.3898 0.9919 1015425 Maybridge3_001173 Cc1ccccc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F08 compound treatment 0.259 0.0143 0.71 0.26 0.0182 1.0 1.2075 0.9858 1249585 Maybridge3_001174 CCOC(=O)C(=C1C2CC3CC(C2)CC1C3)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F09 compound treatment 0.258 0.0133 0.66 0.252 0.0102 0.56 0.8624 0.9968 1632392 Maybridge3_001175 O=C1OCCN=C(c2ccccc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F10 compound treatment 0.324 0.0793 3.92 0.314 0.0722 3.96 5.5708 1.0 2075814 Maybridge3_001176 CSc1nc(nc(N)c1c2ccccc2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F11 compound treatment 0.259 0.0143 0.71 0.257 0.0152 0.83 1.0912 0.9967 1720841 Maybridge3_001177 Fc1ccccc1n2c(csc2=N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F12 compound treatment 0.259 0.0143 0.71 0.259 0.0172 0.94 1.1687 0.9899 2075815 Maybridge3_001178 COC(=O)c1ccccc1NC(=S)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F13 compound treatment 0.256 0.0113 0.56 0.263 0.0212 1.16 1.2191 0.9438 2075816 Maybridge3_001179 Clc1ccc(cc1)c2ncon2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F14 compound treatment 0.261 0.0163 0.81 0.257 0.0152 0.83 1.161 0.9999 1629322 Maybridge3_001180 COc1nc-2c(Cc3cc(NC(=O)C)ccc32)c(c4ccco4)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F15 compound treatment 0.254 0.00934 0.46 0.253 0.0112 0.62 0.7615 0.9899 1482140 Maybridge3_001181 Cc1nc2ccccc2n1C3CC(=O)N(C3=O)c4ccc(F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F16 compound treatment 0.267 0.0223 1.1 0.266 0.0242 1.33 1.7195 0.9958 1742113 Maybridge3_001182 Cc1ccc(cc1)C(=O)Nc2nccc(n2)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F17 compound treatment 0.272 0.0273 1.35 0.266 0.0242 1.33 1.8941 1.0 1674958 Maybridge3_001183 Clc1ccccc1CC2=NC(=O)C(CC(=O)Nc3ccccc3)S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F18 compound treatment 0.265 0.0203 1.0 0.259 0.0172 0.94 1.3783 0.9995 2075817 Maybridge3_001184 COC(=O)c1sccc1NC(=O)CSCc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F19 compound treatment 0.259 0.0143 0.71 0.262 0.0202 1.11 1.2851 0.9766 2075818 Maybridge3_001185 CC(C)(O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F20 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 2075819 Maybridge3_001186 FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nnc(o2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F21 compound treatment 0.262 0.0173 0.86 0.261 0.0192 1.05 1.351 0.9947 2075820 Maybridge3_001187 FC(F)(F)c1cccc(c1)c2nnc(o2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F22 compound treatment 0.282 0.0373 1.84 0.277 0.0352 1.93 2.6697 0.9997 2075821 Maybridge3_001188 Nc1ncc(c2nc3ccccc3s2)c(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F23 mock treatment 0.252 0.00734 0.36 0.252 0.0102 0.56 0.6529 0.9778 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 F24 mock treatment 0.25 0.00534 0.26 0.247 0.00523 0.29 0.3892 0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G01 compound treatment 0.231 -0.0137 -0.67 0.236 -0.00577 -0.32 -0.7007 -0.9406 2075822 Maybridge3_001189 CN(c1cccc(F)c1C#N)n2c(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G02 compound treatment 0.249 0.00434 0.21 0.252 0.0102 0.56 0.5482 0.9131 2075823 Maybridge3_001190 c1coc(c1)c2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G03 compound treatment 0.249 0.00434 0.21 0.243 0.00123 0.07 0.1992 0.8862 2075824 Maybridge3_001191 CSCC(CSC)OC(=O)Nc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G04 compound treatment 0.255 0.0103 0.51 0.256 0.0142 0.78 0.9128 0.9789 1621848 Maybridge3_001192 Clc1ccc(cc1)S(=O)(=O)NC2CCSC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G05 compound treatment 0.247 0.00234 0.12 0.252 0.0102 0.56 0.4783 0.8355 2075825 Maybridge3_001193 Cc1cc(Cl)cc2S/C(=C/c3cccnc3)/C(=O)c21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G06 compound treatment 0.263 0.0183 0.91 0.257 0.0152 0.83 1.2309 0.9992 1156701 Maybridge3_001194 Fc1c(cccc1C(=O)Oc2ccccc2)C(=O)Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G07 compound treatment 0.244 -6.55E-4 -0.03 0.246 0.00423 0.23 0.141 0.6025 2075826 Maybridge3_001195 Cc1cc(no1)n2c(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G08 compound treatment 0.279 0.0343 1.7 0.275 0.0332 1.82 2.4874 0.9994 2075827 Maybridge3_001196 O/N=C/c1ccc(o1)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G09 compound treatment 0.272 0.0273 1.35 0.273 0.0312 1.71 2.1655 0.9931 2075828 Maybridge3_001197 O/N=C/NC1=C(C(=O)c2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G10 compound treatment 0.284 0.0393 1.94 0.286 0.0442 2.42 3.0885 0.994 1238271 Maybridge3_001198 Cn1cccc1C2=C(C#N)C(C(=C(N)O2)C#N)c3c(Cl)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G11 compound treatment 0.249 0.00434 0.21 0.248 0.00623 0.34 0.3931 0.975 1441863 Maybridge3_001199 Clc1cc(c(Cl)s1)S(=O)(=O)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G12 compound treatment 0.257 0.0123 0.61 0.258 0.0162 0.89 1.0601 0.983 2075829 Maybridge3_001200 ClC1(Cl)CC1CCNS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G13 compound treatment 0.25 0.00534 0.26 0.253 0.0112 0.62 0.6219 0.9286 2075830 Maybridge3_001201 CNC(=O)n1cc(C)c(n1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G14 compound treatment 0.248 0.00334 0.17 0.253 0.0112 0.62 0.552 0.8662 2075831 Maybridge3_001202 CS(=O)(=O)N(CCc1ccc(Cl)cc1)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G15 compound treatment 0.251 0.00634 0.31 0.246 0.00423 0.23 0.3854 0.989 2075832 Maybridge3_001203 Cc1cn(nc1c2cccs2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G16 compound treatment 0.255 0.0103 0.51 0.253 0.0112 0.62 0.7964 0.9957 2075833 Maybridge3_001204 Clc1ccc(cc1)c2cc(=O)[nH]c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G17 compound treatment 0.28 0.0353 1.75 0.266 0.0242 1.33 2.1734 0.9909 2075834 Maybridge3_001205 Cc1n[nH]cc1c2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G18 compound treatment 0.277 0.0323 1.6 0.272 0.0302 1.66 2.3013 0.9998 2075835 Maybridge3_001206 Clc1ccc(cc1)C2CC(=O)C=C(C2)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G19 compound treatment 0.251 0.00634 0.31 0.253 0.0112 0.62 0.6568 0.9509 2075836 Maybridge3_001207 Cc1nn(C)c(C)c1NS(=O)(=O)c2cc(C)c(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G20 compound treatment 0.248 0.00334 0.17 0.245 0.00323 0.18 0.2419 0.9994 2075837 Maybridge3_001208 CN(NC1OC(=O)c2ccccc12)c3cc(cc(C)n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G21 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 2075838 Maybridge3_001209 O/N=C/NC1CCCCNC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G22 compound treatment 0.252 0.00734 0.36 0.253 0.0112 0.62 0.6917 0.9682 2075839 Maybridge3_001210 CC(=O)NCc1c(Cl)cccc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G23 mock treatment 0.251 0.00634 0.31 0.244 0.00223 0.12 0.3078 0.9155 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 G24 mock treatment 0.246 0.00134 0.07 0.212 -0.0298 -1.63 -1.1074 -0.6778 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H01 compound treatment 0.243 -0.00166 -0.08 0.242 2.26E-4 0.01 -0.049 -0.5932 2075840 Maybridge3_001211 CC(C)(C)n1ccc(n1)c2cc(F)cc(F)c2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H02 compound treatment 0.281 0.0363 1.79 0.28 0.0382 2.1 2.7511 0.997 1084493 Maybridge3_001212 Cc1c(C#N)c(N)sc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H03 compound treatment 0.251 0.00634 0.31 0.258 0.0162 0.89 0.8506 0.9018 2075841 Maybridge3_001213 COC(=O)c1cccc(NC(=O)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H04 compound treatment 0.259 0.0143 0.71 0.255 0.0132 0.73 1.0137 0.9999 1591706 Maybridge3_001214 COc1ccc(CCNC(C#N)c2cc(Br)ccc2O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H05 compound treatment 0.253 0.00834 0.41 0.256 0.0142 0.78 0.8429 0.9555 2075842 Maybridge3_001215 COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H06 compound treatment 0.25 0.00534 0.26 0.252 0.0102 0.56 0.5831 0.9409 1577664 Maybridge3_001216 Oc1ccc(Br)cc1CNc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H07 compound treatment 0.267 0.0223 1.1 0.265 0.0232 1.27 1.6807 0.9975 2075843 Maybridge3_001217 CCOC(=O)/C(=C\1/C(=O)Nc2ccc(Br)cc12)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H08 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 1340707 Maybridge3_001218 Cc1noc(N2C(=O)C3C4CC(C=C4)C3C2=O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H09 compound treatment 0.256 0.0113 0.56 0.257 0.0152 0.83 0.9864 0.9812 1002388 Maybridge3_001219 O=C(CSC#N)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H10 compound treatment 0.253 0.00834 0.41 0.249 0.00723 0.4 0.5715 0.9998 2075844 Maybridge3_001220 COC(=O)c1cc2c(C)nn(C)c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H11 compound treatment 0.261 0.0163 0.81 0.261 0.0192 1.05 1.3161 0.9913 1713070 Maybridge3_001221 CSc1cccc(c1)n2c(csc2=N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H12 compound treatment 0.258 0.0133 0.66 0.249 0.00723 0.4 0.7461 0.9704 2075845 Maybridge3_001222 Clc1ccccc1SC(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H13 compound treatment 0.254 0.00934 0.46 0.267 0.0252 1.38 1.3043 0.8945 2075846 Maybridge3_001223 Clc1ccc2OC(Nc2c1)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H14 compound treatment 0.289 0.0443 2.19 0.275 0.0332 1.82 2.8366 0.9958 1544404 Maybridge3_001224 Cc1ccc2N=C(CC(=O)Nc2c1C)c3ccccc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H15 compound treatment 0.25 0.00534 0.26 0.256 0.0142 0.78 0.7382 0.8964 2075847 Maybridge3_001225 CSC1=NCCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H16 compound treatment 0.296 0.0513 2.54 0.279 0.0372 2.04 3.2361 0.9942 2075848 Maybridge3_001226 N/C(=C(\N=C\c1ccc(Cl)cc1)/C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H17 compound treatment 0.269 0.0243 1.2 0.271 0.0292 1.6 1.9832 0.99 1151352 Maybridge3_001227 CN(C)c1ccc(cc1)C2Nc3ccc(C)cc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H18 compound treatment 0.26 0.0153 0.76 0.254 0.0122 0.67 1.0098 0.9981 2075849 Maybridge3_001228 CCOC(=O)c1c(C)csc1NC(=O)CSc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H19 compound treatment 0.25 0.00534 0.26 0.255 0.0132 0.73 0.6994 0.9063 1393284 Maybridge3_001229 Clc1ccc(cc1)C(=C)NCc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H20 compound treatment 0.254 0.00934 0.46 0.251 0.00923 0.51 0.684 0.9989 2075850 Maybridge3_001230 CSc1nc(=O)c2sccc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H21 compound treatment 0.255 0.0103 0.51 0.257 0.0152 0.83 0.9515 0.9722 2075851 Maybridge3_001231 Cc1ccc(c2nnc(o2)c3ccncc3)c(C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H22 compound treatment 0.25 0.00534 0.26 0.252 0.0102 0.56 0.5831 0.9409 2075852 Maybridge3_001232 NC(=O)c1sccc1NS(=O)(=O)c2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H23 mock treatment 0.256 0.0113 0.56 0.247 0.00523 0.29 0.5987 0.9515 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 H24 mock treatment 0.239 -0.00566 -0.28 0.24 -0.00177 -0.1 -0.2663 -0.9004 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I01 compound treatment 0.25 0.00534 0.26 0.235 -0.00677 -0.37 -0.076 -0.1668 1091165 Maybridge3_001233 Cc1onc(c1C(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I02 compound treatment 0.253 0.00834 0.41 0.25 0.00823 0.45 0.6103 0.999 2075853 Maybridge3_001234 Cc1nn(C)c(Cl)c1S(=O)(=O)Nc2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I03 compound treatment 0.257 0.0123 0.61 0.254 0.0122 0.67 0.9051 0.9989 2075854 Maybridge3_001235 O/N=C(\NCCc1ccncc1)/C(c2ccccc2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I04 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 2075855 Maybridge3_001236 Clc1cccc(c1)C(=O)NC2CCSC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I05 compound treatment 0.25 0.00534 0.26 0.249 0.00723 0.4 0.4668 0.9805 2075856 Maybridge3_001237 CC(C)(COC(=O)Nc1ccc(Cl)cc1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I06 compound treatment 0.261 0.0163 0.81 0.255 0.0132 0.73 1.0835 0.9986 1340148 Maybridge3_001238 Fc1c(cccc1C(=O)N2CCCCC2)C(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I07 compound treatment 0.256 0.0113 0.56 0.252 0.0102 0.56 0.7926 1.0 1231777 Maybridge3_001239 Cc1cc(NC(=O)CC#N)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I08 compound treatment 0.268 0.0233 1.15 0.26 0.0182 1.0 1.5218 0.9975 2075857 Maybridge3_001240 Fc1ccc(cc1)C(=O)NCc2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I09 compound treatment 0.258 0.0133 0.66 0.263 0.0212 1.16 1.2889 0.9637 2075858 Maybridge3_001241 CSc1ccccc1NC(=O)c2cc(Cl)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I10 compound treatment 0.255 0.0103 0.51 0.258 0.0162 0.89 0.9903 0.9653 2075859 Maybridge3_001242 CS(=O)(=O)Nc1cc(NS(=O)(=O)C)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I11 compound treatment 0.254 0.00934 0.46 0.254 0.0122 0.67 0.8003 0.9834 1657518 Maybridge3_001243 O=C(Nc1ccccc1Oc2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I12 compound treatment 0.26 0.0153 0.76 0.255 0.0132 0.73 1.0486 0.9998 1464788 Maybridge3_001244 CS(=O)(=O)Nc1ccc(Oc2c(C#N)cccc2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I13 compound treatment 0.263 0.0183 0.91 0.258 0.0162 0.89 1.2696 1.0 1235084 Maybridge3_001245 CN(C)c1cccc(N(C)C)c1CNS(=O)(=O)c2cc(Cl)sc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I14 compound treatment 0.251 0.00634 0.31 0.255 0.0132 0.73 0.7343 0.9296 2075860 Maybridge3_001246 NS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I15 compound treatment 0.251 0.00634 0.31 0.253 0.0112 0.62 0.6568 0.9509 2075861 Maybridge3_001247 Cc1nc(C)c(s1)c2ccnc(N)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I16 compound treatment 0.262 0.0173 0.86 0.256 0.0142 0.78 1.1572 0.9989 1459848 Maybridge3_001248 CSc1nnc(SC2=CC(=O)CC(C2)c3ccccc3)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I17 compound treatment 0.267 0.0223 1.1 0.271 0.0292 1.6 1.9133 0.9834 1511153 Maybridge3_001249 Cc1nc(C)c(s1)c2cnc(NS(=O)(=O)c3ccc(Cl)cc3)nc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I18 compound treatment 0.258 0.0133 0.66 0.257 0.0152 0.83 1.0563 0.9931 2075862 Maybridge3_001250 CS/C(=N/C#N)/NCc1c(Cl)cccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I19 compound treatment 0.263 0.0183 0.91 0.26 0.0182 1.0 1.3472 0.9988 1613492 Maybridge3_001251 CN(C1CC2CC1C=C2)S(=O)(=O)c3cc(Cl)sc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I20 compound treatment 0.26 0.0153 0.76 0.259 0.0172 0.94 1.2037 0.994 2075863 Maybridge3_001252 Cc1cc(cc(n1)n2cc(C#N)c(N)n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I21 compound treatment 0.252 0.00734 0.36 0.258 0.0162 0.89 0.8855 0.9217 1646441 Maybridge3_001253 Clc1cccc(NC2CCCCNC2=O)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I22 compound treatment 0.262 0.0173 0.86 0.259 0.0172 0.94 1.2735 0.9988 1521899 Maybridge3_001254 CC(=O)N1CCC(CC1)NC(=O)Oc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I23 mock treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 I24 mock treatment 0.247 0.00234 0.12 0.255 0.0132 0.73 0.5946 0.8098 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J01 compound treatment 0.247 0.00234 0.12 0.241 -7.74E-4 -0.04 0.0519 0.4205 1637576 Maybridge3_001255 CC(C)N1CCS(=O)(=O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J02 compound treatment 0.252 0.00734 0.36 0.246 0.00423 0.23 0.4203 0.9766 1297552 Maybridge3_001256 COc1cc(cc(OC)c1OC)C(=O)NC(C)(C)CCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J03 compound treatment 0.25 0.00534 0.26 0.254 0.0122 0.67 0.6606 0.917 1728518 Maybridge3_001257 COC(=O)c1cccc(NC(=O)C(C)(C)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J04 compound treatment 0.25 0.00534 0.26 0.251 0.00923 0.51 0.5443 0.954 1722497 Maybridge3_001258 Brc1ccc(cc1)S(=O)(=O)N(CCC#N)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J05 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 1211575 Maybridge3_001259 COC(=O)c1cccc(NS(=O)(=O)C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J06 compound treatment 0.252 0.00734 0.36 0.247 0.00523 0.29 0.4591 0.9932 1680927 Maybridge3_001260 N#CCc1ccc(NC2(CCCC2)C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J07 compound treatment 0.283 0.0383 1.89 0.275 0.0332 1.82 2.6271 0.9998 1729902 Maybridge3_001261 Oc1nnc(c2ccc(Cl)cc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J08 compound treatment 0.254 0.00934 0.46 0.254 0.0122 0.67 0.8003 0.9834 2075864 Maybridge3_001262 CS/C(=N\C(=O)c1c(Cl)cccc1Cl)/NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J09 compound treatment 0.256 0.0113 0.56 0.256 0.0142 0.78 0.9477 0.9868 1244183 Maybridge3_001263 Clc1ccc(c(Cl)c1)n2c(csc2=N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J10 compound treatment 0.281 0.0363 1.79 0.276 0.0342 1.88 2.596 0.9998 2075865 Maybridge3_001264 CSC(=CC(=O)c1cccs1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J11 compound treatment 0.254 0.00934 0.46 0.252 0.0102 0.56 0.7228 0.9953 1718424 Maybridge3_001265 CN1C(=O)CN(C2CCCCC2)C(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J12 compound treatment 0.265 0.0203 1.0 0.257 0.0152 0.83 1.3007 0.9958 2075866 Maybridge3_001266 CNC(=O)Sc1ccccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J13 compound treatment 0.267 0.0223 1.1 0.261 0.0192 1.05 1.5256 0.9997 2075867 Maybridge3_001267 Clc1ccc(cc1)C2Nc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J14 compound treatment 0.254 0.00934 0.46 0.251 0.00923 0.51 0.684 0.9989 2075868 Maybridge3_001268 O=C1ON=C(C1C=C2CCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J15 compound treatment 0.275 0.0303 1.5 0.275 0.0332 1.82 2.3478 0.9953 1290526 Maybridge3_001269 Clc1ccccc1c2csc(n2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J16 compound treatment 0.313 0.0683 3.37 0.308 0.0662 3.63 4.9541 0.9993 2075869 Maybridge3_001270 N/C(=C(\N=C\c1ccc(cc1)C(F)(F)F)/C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J17 compound treatment 0.265 0.0203 1.0 0.268 0.0262 1.44 1.7272 0.9846 1175688 Maybridge3_001271 COc1ccc(cc1OC)C2Nc3cc(C)ccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J18 compound treatment 0.249 0.00434 0.21 0.253 0.0112 0.62 0.5869 0.9005 2075870 Maybridge3_001272 Cc1csc(NC(=O)C(F)(F)F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J19 compound treatment 0.262 0.0173 0.86 0.267 0.0252 1.38 1.5837 0.9735 1527880 Maybridge3_001273 Clc1ccccc1c2nc3ccccc3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J20 compound treatment 0.252 0.00734 0.36 0.255 0.0132 0.73 0.7692 0.9487 2075871 Maybridge3_001274 Cn1cc(Br)c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J21 compound treatment 0.267 0.0223 1.1 0.264 0.0222 1.22 1.6419 0.9988 2075872 Maybridge3_001275 Oc1ccccc1/C=N/c2ccc(c(Cl)c2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J22 compound treatment 0.249 0.00434 0.21 0.249 0.00723 0.4 0.4319 0.9585 2075873 Maybridge3_001276 COC(=O)/C(=C\1/CCSC1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J23 mock treatment 0.248 0.00334 0.17 0.25 0.00823 0.45 0.4357 0.9071 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 J24 mock treatment 0.245 3.45E-4 0.02 0.237 -0.00477 -0.26 -0.1731 -0.6597 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K01 compound treatment 0.246 0.00134 0.07 0.245 0.00323 0.18 0.172 0.9105 2075874 Maybridge3_001277 Nc1nnc(SCc2c(nnn2c3ccc(F)cc3F)c4ccccc4)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K02 compound treatment 0.25 0.00534 0.26 0.255 0.0132 0.73 0.6994 0.9063 1228040 Maybridge3_001278 NC(=O)C1CCN(CC1)c2cccc(Cl)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K03 compound treatment 0.257 0.0123 0.61 0.254 0.0122 0.67 0.9051 0.9989 2075875 Maybridge3_001279 NC(=O)c1ccccc1Oc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K04 compound treatment 0.257 0.0123 0.61 0.255 0.0132 0.73 0.9438 0.9963 2075876 Maybridge3_001280 Cc1cnnn1c2c(C)nn(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K05 compound treatment 0.258 0.0133 0.66 0.25 0.00823 0.45 0.7849 0.9829 1420885 Maybridge3_001281 Fc1c(CN2CCOCC2)cccc1CN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K06 compound treatment 0.257 0.0123 0.61 0.253 0.0112 0.62 0.8663 1.0 2075877 Maybridge3_001282 Cc1c(nnn1c2cc(Cl)ccc2Cl)c3ccn[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K07 compound treatment 0.252 0.00734 0.36 0.248 0.00623 0.34 0.4978 0.9995 2075878 Maybridge3_001283 c1cc(n[nH]1)c2cc3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K08 compound treatment 0.256 0.0113 0.56 0.256 0.0142 0.78 0.9477 0.9868 2075879 Maybridge3_001284 Fc1ccc(c2ccc(CNC(=O)c3ccccc3)o2)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K09 compound treatment 0.252 0.00734 0.36 0.252 0.0102 0.56 0.6529 0.9778 2075880 Maybridge3_001285 Clc1cc(c(Cl)s1)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K10 compound treatment 0.253 0.00834 0.41 0.254 0.0122 0.67 0.7654 0.9727 1174817 Maybridge3_001286 Cn1cccc1C2=C(C#N)C(C(=C(N)O2)C#N)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K11 compound treatment 0.254 0.00934 0.46 0.25 0.00823 0.45 0.6452 0.9999 1525251 Maybridge3_001287 Clc1sc(Cl)c(c1Br)S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K12 compound treatment 0.259 0.0143 0.71 0.258 0.0162 0.89 1.13 0.9936 2075881 Maybridge3_001288 CSc1cc(nn1C(=O)Nc2ccccc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K13 compound treatment 0.257 0.0123 0.61 0.248 0.00623 0.34 0.6724 0.9624 1434021 Maybridge3_001289 CSc1nc(NS(=O)(=O)c2ccc(F)cc2F)nn1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K14 compound treatment 0.258 0.0133 0.66 0.257 0.0152 0.83 1.0563 0.9931 2075882 Maybridge3_001290 Fc1ccc(NC(=O)CSc2ccccn2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K15 compound treatment 0.252 0.00734 0.36 0.251 0.00923 0.51 0.6142 0.9867 2075883 Maybridge3_001291 Cc1nc(C)c(s1)c2ccnc(N/C=N/O)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K16 compound treatment 0.261 0.0163 0.81 0.255 0.0132 0.73 1.0835 0.9986 2075884 Maybridge3_001292 NC(=O)CC(=O)c1ccc(F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K17 compound treatment 0.258 0.0133 0.66 0.258 0.0162 0.89 1.0951 0.9891 2075885 Maybridge3_001293 Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)Nc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K18 compound treatment 0.253 0.00834 0.41 0.254 0.0122 0.67 0.7654 0.9727 1638955 Maybridge3_001294 Nc1n[nH]c(NCc2c(Cl)cccc2Oc3ccccc3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K19 compound treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 1124837 Maybridge3_001295 CCc1c(CC)c(sc1C#N)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K20 compound treatment 0.25 0.00534 0.26 0.256 0.0142 0.78 0.7382 0.8964 1471850 Maybridge3_001296 O(c1ccccc1)c2ccc(cc2)c3ccn[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K21 compound treatment 0.249 0.00434 0.21 0.251 0.00923 0.51 0.5094 0.9271 1730052 Maybridge3_001297 Cc1nn(C)c(C)c1NC(=O)c2ccccc2NC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K22 compound treatment 0.256 0.0113 0.56 0.254 0.0122 0.67 0.8701 0.996 1391203 Maybridge3_001298 CSC(=CC(=O)c1ccc(Oc2ccccc2)cc1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K23 mock treatment 0.25 0.00534 0.26 0.248 0.00623 0.34 0.428 0.9919 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 K24 mock treatment 0.247 0.00234 0.12 0.243 0.00123 0.07 0.1294 0.9665 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L01 compound treatment 0.253 0.00834 0.41 0.244 0.00223 0.12 0.3777 0.8788 2075886 Maybridge3_001299 Nc1ccc(cc1)c2cnco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L02 compound treatment 0.263 0.0183 0.91 0.263 0.0212 1.16 1.4635 0.9923 2075887 Maybridge3_001300 CNC(=O)c1ccc(/C=C/2\N3CCC(CC3)C2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L03 compound treatment 0.256 0.0113 0.56 0.256 0.0142 0.78 0.9477 0.9868 1331061 Maybridge3_001301 COC(=O)c1cccc(NC(=O)C2CC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L04 compound treatment 0.281 0.0363 1.79 0.283 0.0412 2.26 2.8674 0.9935 2075888 Maybridge3_001302 NC1=Nc2ccc(Cl)cc2C1(O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L05 compound treatment 0.259 0.0143 0.71 0.257 0.0152 0.83 1.0912 0.9967 2075889 Maybridge3_001303 CC1N(CCc2sccc12)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L06 compound treatment 0.306 0.0613 3.03 0.301 0.0592 3.25 4.4382 0.9994 2075890 Maybridge3_001304 COc1cc(NC(=O)/C=C/c2ccccc2Cl)c(OC)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L07 compound treatment 0.254 0.00934 0.46 0.254 0.0122 0.67 0.8003 0.9834 1446051 Maybridge3_001305 O=C(Nc1ccccc1C(=O)Nc2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L08 compound treatment 0.254 0.00934 0.46 0.255 0.0132 0.73 0.8391 0.9762 1539708 Maybridge3_001306 CC(=O)Nc1ccc(cc1)C(=O)CCC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L09 compound treatment 0.256 0.0113 0.56 0.257 0.0152 0.83 0.9864 0.9812 2075891 Maybridge3_001307 Cc1c(C)c(C)c(CS/C(=N/N)/N)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L10 compound treatment 0.255 0.0103 0.51 0.254 0.0122 0.67 0.8352 0.991 2075892 Maybridge3_001308 CCOc1cc(nc(N)n1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L11 compound treatment 0.259 0.0143 0.71 0.256 0.0142 0.78 1.0524 0.9988 1265243 Maybridge3_001309 COc1ccc(cc1OC)n2c(csc2=N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L12 compound treatment 0.288 0.0433 2.14 0.281 0.0392 2.15 3.0343 1.0 2075893 Maybridge3_001310 CSc1cc(nc(c1)c2ccc(Cl)cc2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L13 compound treatment 0.261 0.0163 0.81 0.262 0.0202 1.11 1.3549 0.9878 2075894 Maybridge3_001311 COc1ccc(cc1)c2noc(CCC(=O)O)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L14 compound treatment 0.289 0.0443 2.19 0.289 0.0472 2.59 3.3794 0.9965 1413345 Maybridge3_001312 COc1ccc2OC(=C(C#N)C(C(C#N)C#N)c2c1)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L15 compound treatment 0.258 0.0133 0.66 0.26 0.0182 1.0 1.1726 0.9796 2075895 Maybridge3_001313 Cc1nc(cs1)c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L16 compound treatment 0.262 0.0173 0.86 0.255 0.0132 0.73 1.1184 0.9966 1496287 Maybridge3_001314 Cc1cc(Cl)ccc1OCC2NCCS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L17 compound treatment 0.277 0.0323 1.6 0.276 0.0342 1.88 2.4564 0.9968 1209869 Maybridge3_001315 CC(=O)Nc1ccc(cc1)C2Nc3ccc(C)cc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L18 compound treatment 0.252 0.00734 0.36 0.255 0.0132 0.73 0.7692 0.9487 2075896 Maybridge3_001316 Cc1csc(NC(=O)C(F)(F)F)c1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L19 compound treatment 0.257 0.0123 0.61 0.259 0.0172 0.94 1.0989 0.9776 1639375 Maybridge3_001317 Clc1cc(NC(=O)c2ccccc2)ccc1N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L20 compound treatment 0.253 0.00834 0.41 0.255 0.0132 0.73 0.8042 0.9641 2075897 Maybridge3_001318 CCOC(=O)CC(=O)Nc1ccn(C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L21 compound treatment 0.257 0.0123 0.61 0.252 0.0102 0.56 0.8275 0.9991 2075898 Maybridge3_001319 Oc1ccc(Cl)cc1/C=N/Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L22 compound treatment 0.253 0.00834 0.41 0.254 0.0122 0.67 0.7654 0.9727 1577472 Maybridge3_001320 CCOC(=O)CC(=O)Nc1ccsc1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L23 mock treatment 0.253 0.00834 0.41 0.254 0.0122 0.67 0.7654 0.9727 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 L24 mock treatment 0.248 0.00334 0.17 0.246 0.00423 0.23 0.2806 0.9862 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M01 compound treatment 0.235 -0.00966 -0.48 0.237 -0.00477 -0.26 -0.5222 -0.9601 1492038 Maybridge3_001321 CC(C)(C)C(=O)CSc1nc(N)c(s1)C(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M02 compound treatment 0.253 0.00834 0.41 0.252 0.0102 0.56 0.6878 0.9885 2075899 Maybridge3_001322 c1cc([nH]n1)c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M03 compound treatment 0.259 0.0143 0.71 0.252 0.0102 0.56 0.8974 0.9933 1674378 Maybridge3_001323 Fc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M04 compound treatment 0.257 0.0123 0.61 0.26 0.0182 1.0 1.1377 0.9719 1467781 Maybridge3_001324 Clc1cccc(c1)C(=O)Nc2ccccc2C(=O)NC3CCSC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M05 compound treatment 0.262 0.0173 0.86 0.261 0.0192 1.05 1.351 0.9947 2075900 Maybridge3_001325 CCOC(=O)c1sc2cccc(Cl)c2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M06 compound treatment 0.26 0.0153 0.76 0.255 0.0132 0.73 1.0486 0.9998 2075901 Maybridge3_001326 CS/C(=N\S(=O)(=O)/C=C/c1ccccc1)/NN 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M07 compound treatment 0.251 0.00634 0.31 0.25 0.00823 0.45 0.5405 0.9842 2075902 Maybridge3_001327 CSCC(=O)Nc1cc(C)on1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M08 compound treatment 0.267 0.0223 1.1 0.265 0.0232 1.27 1.6807 0.9975 1605779 Maybridge3_001328 Cc1onc(c1C(=O)NCc2cc(Cl)cc(Cl)c2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M09 compound treatment 0.252 0.00734 0.36 0.253 0.0112 0.62 0.6917 0.9682 1315742 Maybridge3_001329 CN(C)c1cccc(N(C)C)c1CNC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M10 compound treatment 0.252 0.00734 0.36 0.253 0.0112 0.62 0.6917 0.9682 2075903 Maybridge3_001330 Fc1ccc(c2ccc(C#N)o2)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M11 compound treatment 0.278 0.0333 1.65 0.271 0.0292 1.6 2.2974 0.9999 1600433 Maybridge3_001331 O=C(Nc1ccccc1)Oc2cccc(c2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M12 compound treatment 0.259 0.0143 0.71 0.255 0.0132 0.73 1.0137 0.9999 2075904 Maybridge3_001332 Cc1ccc(cn1)c2ccn[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M13 compound treatment 0.26 0.0153 0.76 0.249 0.00723 0.4 0.816 0.9543 1583981 Maybridge3_001333 CN(C)c1cccc(N(C)C)c1CNC(=O)c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M14 compound treatment 0.25 0.00534 0.26 0.252 0.0102 0.56 0.5831 0.9409 2075905 Maybridge3_001334 CSCC(=O)Nc1ccc(F)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M15 compound treatment 0.255 0.0103 0.51 0.256 0.0142 0.78 0.9128 0.9789 2075906 Maybridge3_001335 Cc1nc(C)c(s1)c2ccnc(n2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M16 compound treatment 0.296 0.0513 2.54 0.292 0.0502 2.75 3.7401 0.9991 1207118 Maybridge3_001336 CS(=O)(=O)n1nccc1c2ccc(Oc3cccc(Cl)c3C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M17 compound treatment 0.256 0.0113 0.56 0.253 0.0112 0.62 0.8314 0.9989 2075907 Maybridge3_001337 CS/C(=N/S(=O)(=O)c1ccccc1)/NCc2c(cccc2N(C)C)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M18 compound treatment 0.258 0.0133 0.66 0.256 0.0142 0.78 1.0175 0.9965 2075908 Maybridge3_001338 CC(=O)OC1=CC(=O)CC(C1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M19 compound treatment 0.253 0.00834 0.41 0.254 0.0122 0.67 0.7654 0.9727 1151169 Maybridge3_001339 COC(CNc1cccc(Cl)c1C#N)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M20 compound treatment 0.249 0.00434 0.21 0.251 0.00923 0.51 0.5094 0.9271 1187428 Maybridge3_001340 CC(C)(C)c1ccc(cc1)C(=O)CC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M21 compound treatment 0.248 0.00334 0.17 0.251 0.00923 0.51 0.4745 0.8917 2075909 Maybridge3_001341 CC1SCC(CS1)NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M22 compound treatment 0.257 0.0123 0.61 0.253 0.0112 0.62 0.8663 1.0 2075910 Maybridge3_001342 Nc1nccc(n1)c2cccc(Cl)c2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M23 mock treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 M24 mock treatment 0.244 -6.55E-4 -0.03 0.245 0.00323 0.18 0.1022 0.5683 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N01 compound treatment 0.285 0.0403 1.99 0.279 0.0372 2.04 2.852 0.9999 1119590 Maybridge3_001343 Oc1ccccc1c2cncn2Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N02 compound treatment 0.25 0.00534 0.26 0.25 0.00823 0.45 0.5055 0.9674 2075911 Maybridge3_001344 CCOC(=O)c1ccc(/N=C\2/NC3(CCCCC3)C(=C)S2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N03 compound treatment 0.252 0.00734 0.36 0.254 0.0122 0.67 0.7305 0.9584 2075912 Maybridge3_001345 CCC(=O)Nc1cccc(c1)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N04 compound treatment 0.248 0.00334 0.17 0.246 0.00423 0.23 0.2806 0.9862 1315287 Maybridge3_001346 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N05 compound treatment 0.259 0.0143 0.71 0.25 0.00823 0.45 0.8198 0.9762 1514026 Maybridge3_001347 CC1N(CCc2sccc12)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N06 compound treatment 0.256 0.0113 0.56 0.255 0.0132 0.73 0.9089 0.9919 2075913 Maybridge3_001348 O=c1nc([nH]c2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N07 compound treatment 0.251 0.00634 0.31 0.247 0.00523 0.29 0.4242 0.999 1732031 Maybridge3_001349 O=C(Nc1ccccc1C(=O)Nc2cccnc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N08 compound treatment 0.262 0.0173 0.86 0.256 0.0142 0.78 1.1572 0.9989 1287544 Maybridge3_001350 COc1ccc(cc1)C(=C(SC)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N09 compound treatment 0.247 0.00234 0.12 0.247 0.00523 0.29 0.2845 0.9205 2075914 Maybridge3_001351 N/N=C(\N)/SCc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N10 compound treatment 0.253 0.00834 0.41 0.253 0.0112 0.62 0.7266 0.981 1230204 Maybridge3_001352 CCOc1cc(nc(N)n1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N11 compound treatment 0.252 0.00734 0.36 0.253 0.0112 0.62 0.6917 0.9682 1455493 Maybridge3_001353 CNc1ccc(Cl)cc1C(=O)NCCc2ccc(OC)c(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N12 compound treatment 0.297 0.0523 2.58 0.288 0.0462 2.53 3.62 1.0 1082548 Maybridge3_001354 Clc1ccc(cc1)c2cc(=S)ss2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N13 compound treatment 0.258 0.0133 0.66 0.249 0.00723 0.4 0.7461 0.9704 1452031 Maybridge3_001355 Cc1c(C)c(C)c(CCN)c(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N14 compound treatment 0.246 0.00134 0.07 0.25 0.00823 0.45 0.3659 0.8026 2075915 Maybridge3_001356 O=C(CC(C(C#N)C#N)c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N15 compound treatment 0.251 0.00634 0.31 0.247 0.00523 0.29 0.4242 0.999 1536665 Maybridge3_001357 O=C(NCc1cccnc1)c2nc3ccccc3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N16 compound treatment 0.258 0.0133 0.66 0.249 0.00723 0.4 0.7461 0.9704 2075916 Maybridge3_001358 FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N17 compound treatment 0.263 0.0183 0.91 0.271 0.0292 1.6 1.7737 0.9635 2075917 Maybridge3_001359 COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N18 compound treatment 0.253 0.00834 0.41 0.248 0.00623 0.34 0.5328 0.9956 2075918 Maybridge3_001360 CSc1nc2ccnn2c(=O)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N19 compound treatment 0.252 0.00734 0.36 0.253 0.0112 0.62 0.6917 0.9682 2075919 Maybridge3_001361 COC(=O)CSc1nnc([nH]1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N20 compound treatment 0.252 0.00734 0.36 0.251 0.00923 0.51 0.6142 0.9867 1716607 Maybridge3_001362 Cn1cc(Br)c(NC(=O)c2ccc(Cl)c(Cl)c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N21 compound treatment 0.256 0.0113 0.56 0.256 0.0142 0.78 0.9477 0.9868 1729999 Maybridge3_001363 CCOC(=O)c1sc2ccc(NC(=O)C)cc2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N22 compound treatment 0.246 0.00134 0.07 0.244 0.00223 0.12 0.1333 0.9591 2075920 Maybridge3_001364 NC(=O)c1sccc1NC(=O)CSc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N23 mock treatment 0.249 0.00434 0.21 0.249 0.00723 0.4 0.4319 0.9585 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 N24 mock treatment 0.24 -0.00466 -0.23 0.247 0.00523 0.29 0.0401 0.109 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O01 compound treatment 0.213 -0.0317 -1.56 0.214 -0.0278 -1.52 -2.1822 -0.9999 2075921 Maybridge3_001365 Cc1nn(C)c(O)c1C(=O)c2c(C)onc2c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O02 compound treatment 0.248 0.00334 0.17 0.249 0.00723 0.4 0.3969 0.9248 2075922 Maybridge3_001366 O/N=C/NC(=O)C1CCN(CC1)c2cccc(Cl)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O03 compound treatment 0.245 3.45E-4 0.02 0.248 0.00623 0.34 0.2534 0.7415 2075923 Maybridge3_001367 Cc1n[nH]c(C)c1Cc2c(Cl)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O04 compound treatment 0.246 0.00134 0.07 0.248 0.00623 0.34 0.2883 0.8291 1218923 Maybridge3_001368 O=C(NC1CCSC1)c2ccccc2NS(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O05 compound treatment 0.259 0.0143 0.71 0.255 0.0132 0.73 1.0137 0.9999 2075924 Maybridge3_001369 NC(=N)SCc1cccc(CSC(=N)N)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O06 compound treatment 0.251 0.00634 0.31 0.249 0.00723 0.4 0.5017 0.9932 2075925 Maybridge3_001370 Clc1ccc(NC(=O)OC2CCSC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O07 compound treatment 0.259 0.0143 0.71 0.262 0.0202 1.11 1.2851 0.9766 2075926 Maybridge3_001371 Nc1oc(c(C#N)c1c2ccc(C#N)cc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O08 compound treatment 0.252 0.00734 0.36 0.252 0.0102 0.56 0.6529 0.9778 1326203 Maybridge3_001372 NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O09 compound treatment 0.25 0.00534 0.26 0.249 0.00723 0.4 0.4668 0.9805 1344241 Maybridge3_001373 CN(C)c1cccc(N(C)C)c1CNC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O10 compound treatment 0.265 0.0203 1.0 0.257 0.0152 0.83 1.3007 0.9958 2075927 Maybridge3_001374 CS(=O)(=O)n1nccc1c2ccc(o2)c3ccc(F)cc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O11 compound treatment 0.247 0.00234 0.12 0.249 0.00723 0.4 0.362 0.8771 2075928 Maybridge3_001375 O=C(Oc1cccc(c1)N2CCOCC2)c3ccc(CSC(=S)N4CCSCC4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O12 compound treatment 0.242 -0.00266 -0.13 0.239 -0.00277 -0.15 -0.2003 -0.9973 2075929 Maybridge3_001376 COC(=O)Nc1cc(OC)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O13 compound treatment 0.255 0.0103 0.51 0.245 0.00323 0.18 0.4863 0.8995 1218908 Maybridge3_001377 CN(C)c1cccc(N(C)C)c1CNC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O14 compound treatment 0.251 0.00634 0.31 0.248 0.00623 0.34 0.4629 0.9991 1303697 Maybridge3_001378 CS(=O)(=O)CC(=O)NC1CCCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O15 compound treatment 0.243 -0.00166 -0.08 0.246 0.00423 0.23 0.106 0.4316 2075930 Maybridge3_001379 Cc1n[nH]cc1c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O16 compound treatment 0.252 0.00734 0.36 0.244 0.00223 0.12 0.3428 0.8957 2075931 Maybridge3_001380 Clc1cc(CSC(=S)NCc2cccnc2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O17 compound treatment 0.252 0.00734 0.36 0.249 0.00723 0.4 0.5366 0.999 2075932 Maybridge3_001381 CS/C(=N/C#N)/NCc1c(cccc1N(C)C)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O18 compound treatment 0.247 0.00234 0.12 0.247 0.00523 0.29 0.2845 0.9205 2075933 Maybridge3_001382 COc1ccc(Oc2cccc(Cl)c2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O19 compound treatment 0.247 0.00234 0.12 0.245 0.00323 0.18 0.2069 0.9789 2075934 Maybridge3_001383 CS/C(=N\C#N)/Nc1c(C)nn(C)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O20 compound treatment 0.249 0.00434 0.21 0.244 0.00223 0.12 0.238 0.9642 2075935 Maybridge3_001384 Fc1cccc(N2CCC(CC2)C#N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O21 compound treatment 0.239 -0.00566 -0.28 0.244 0.00223 0.12 -0.1112 -0.3648 2075936 Maybridge3_001385 CC1=C(OC(=O)c2c(C)onc2c3c(Cl)cccc3Cl)C(=O)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O22 compound treatment 0.246 0.00134 0.07 0.244 0.00223 0.12 0.1333 0.9591 2075937 Maybridge3_001386 O=S(=O)(c1ccccc1)c2ccc(cc2)c3ccn[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O23 mock treatment 0.245 3.45E-4 0.02 0.244 0.00223 0.12 0.0983 0.798 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 O24 mock treatment 0.243 -0.00166 -0.08 0.227 -0.0148 -0.81 -0.6306 -0.7745 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P01 compound treatment 0.185 -0.0597 -2.95 0.199 -0.0428 -2.35 -3.7414 -0.9936 2075938 Maybridge3_001387 CC1N(CCc2sccc12)C(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P02 compound treatment 0.225 -0.0197 -0.97 0.197 -0.0448 -2.45 -2.4222 -0.9176 2075939 Maybridge3_001388 COc1ccccc1/N=C/2\NC3(CCCCC3)C(=C)S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P03 compound treatment 0.232 -0.0127 -0.62 0.231 -0.0108 -0.59 -0.8596 -0.9996 1378845 Maybridge3_001389 O=S(=O)(Nc1ccc(cc1)c2cnco2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P04 compound treatment 0.23 -0.0147 -0.72 0.245 0.00323 0.18 -0.3867 -0.519 1403222 Maybridge3_001390 CC1CN(CCC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)CC(C)O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P05 compound treatment 0.231 -0.0137 -0.67 0.223 -0.0188 -1.03 -1.2047 -0.979 1714399 Maybridge3_001391 NC(=O)c1c(N)c(sc1Nc2ccccc2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P06 compound treatment 0.241 -0.00366 -0.18 0.22 -0.0218 -1.19 -0.9718 -0.8049 2075940 Maybridge3_001392 Fc1ccc(cc1)S(=O)(=O)Nc2ccc(F)c(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P07 compound treatment 0.227 -0.0177 -0.87 0.243 0.00123 0.07 -0.569 -0.6507 1234015 Maybridge3_001393 O=C(Nc1nncs1)c2ccccc2NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P08 compound treatment 0.237 -0.00766 -0.38 0.234 -0.00777 -0.43 -0.5687 -0.9982 2075941 Maybridge3_001394 CN(C)CC1=C(Cl)c2ccccc2S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P09 compound treatment 0.236 -0.00866 -0.43 0.231 -0.0108 -0.59 -0.7199 -0.9874 2075942 Maybridge3_001395 O=C/1/C(=C/c2cccs2)/CC\C1=C/c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P10 compound treatment 0.228 -0.0167 -0.82 0.221 -0.0208 -1.14 -1.387 -0.9872 2075943 Maybridge3_001396 CSc1cc(nc(n1)c2ccc(Cl)cc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P11 compound treatment 0.242 -0.00266 -0.13 0.241 -7.74E-4 -0.04 -0.1227 -0.8905 2075944 Maybridge3_001397 Cc1ccc(CSC2=NCCCN2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P12 compound treatment 0.362 0.117 5.79 0.366 0.124 6.81 8.9137 0.9968 2075945 Maybridge3_001398 O=C1/C(=C/c2ccc[nH]2)/Cc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P13 compound treatment 0.222 -0.0227 -1.12 0.244 0.00223 0.12 -0.7048 -0.6263 2075946 Maybridge3_001399 N#CSCc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P14 compound treatment 0.243 -0.00166 -0.08 0.238 -0.00377 -0.21 -0.2041 -0.9174 2075947 Maybridge3_001400 Nc1nccc(n1)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P15 compound treatment 0.224 -0.0207 -1.02 0.245 0.00323 0.18 -0.5962 -0.5759 1180190 Maybridge3_001401 Oc1nc(nc2ccccc12)C(=O)NCCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P16 compound treatment 0.244 -6.55E-4 -0.03 0.232 -0.00977 -0.54 -0.4018 -0.7484 1461261 Maybridge3_001402 CC(=O)Nc1ccsc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P17 compound treatment 0.251 0.00634 0.31 0.233 -0.00877 -0.48 -0.1186 -0.2066 1713486 Maybridge3_001403 Clc1ccc(OCc2nc3ccccc3c(=O)o2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P18 compound treatment 0.223 -0.0217 -1.07 0.219 -0.0228 -1.25 -1.6391 -0.997 1984555 Maybridge3_001404 CCc1cc2c(=O)[nH]cnc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P19 compound treatment 0.238 -0.00666 -0.33 0.241 -7.74E-4 -0.04 -0.2624 -0.7919 2075948 Maybridge3_001405 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N2CCC=CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P20 compound treatment 0.239 -0.00566 -0.28 0.22 -0.0218 -1.19 -1.0417 -0.8496 1533743 Maybridge3_001406 Clc1ccc(s1)S(=O)(=O)Nc2[nH]ncc2Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P21 compound treatment 0.24 -0.00466 -0.23 0.228 -0.0138 -0.76 -0.6966 -0.8824 1290814 Maybridge3_001407 Oc1ccc(cc1)C(=O)CCN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P22 compound treatment 0.241 -0.00366 -0.18 0.232 -0.00977 -0.54 -0.5066 -0.8958 2075949 Maybridge3_001408 NC(=O)c1sccc1NC(=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P23 mock treatment 0.223 -0.0217 -1.07 0.229 -0.0128 -0.7 -1.2514 -0.979 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1434 P24 mock treatment 0.202 -0.0427 -2.11 0.219 -0.0228 -1.25 -2.3724 -0.9688 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A01 compound treatment 0.171 -0.0744 -3.67 0.182 -0.0607 -3.33 -4.9513 -0.9988 2075950 Maybridge3_001409 NC(=O)c1sccc1NC(=O)CSCc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A02 compound treatment 0.187 -0.0584 -2.88 0.196 -0.0467 -2.56 -3.8498 -0.9983 2075951 Maybridge3_001410 COC(=O)c1sc(Br)c(Br)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A03 compound treatment 0.2 -0.0454 -2.24 0.188 -0.0547 -3.0 -3.7061 -0.9896 1345720 Maybridge3_001411 COC(=O)c1sc(cc1NS(=O)(=O)c2ccc(OC)cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A04 compound treatment 0.211 -0.0344 -1.7 0.216 -0.0267 -1.47 -2.2364 -0.9974 2075952 Maybridge3_001412 COC(=O)c1csc2c(cc(=O)[nH]c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A05 compound treatment 0.186 -0.0594 -2.93 0.189 -0.0537 -2.95 -4.1561 -1.0 2075953 Maybridge3_001413 CCCc1nn(cc1C(=O)OCC)C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A06 compound treatment 0.207 -0.0384 -1.89 0.191 -0.0517 -2.84 -3.3453 -0.9807 1670664 Maybridge3_001414 O=C(OCc1ccccc1)C2CC(=O)N2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A07 compound treatment 0.202 -0.0434 -2.14 0.212 -0.0307 -1.69 -2.7057 -0.993 2075954 Maybridge3_001415 Cn1ncc(CO)c1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A08 compound treatment 0.215 -0.0304 -1.5 0.211 -0.0317 -1.74 -2.2906 -0.9972 1221188 Maybridge3_001416 COCC(=O)Nc1sccc1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A09 compound treatment 0.219 -0.0264 -1.3 0.224 -0.0187 -1.03 -1.6469 -0.9932 2075955 Maybridge3_001417 CSC(=CC(=O)c1ccc(F)cc1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A10 compound treatment 0.238 -0.00735 -0.36 0.239 -0.00374 -0.21 -0.4019 -0.9635 2075956 Maybridge3_001418 CCOC(=O)c1cnc(Sc2ccc(Cl)cc2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A11 compound treatment 0.213 -0.0324 -1.6 0.208 -0.0347 -1.9 -2.4767 -0.9962 2075957 Maybridge3_001419 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A12 compound treatment 0.249 0.00365 0.18 0.235 -0.00774 -0.42 -0.1729 -0.3749 2075958 Maybridge3_001420 CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A13 compound treatment 0.223 -0.0224 -1.1 0.214 -0.0287 -1.58 -1.8949 -0.9848 2075959 Maybridge3_001421 FC(F)(F)c1c(cnn1c2ccc(Cl)cc2)C(=O)NC3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A14 compound treatment 0.218 -0.0274 -1.35 0.22 -0.0227 -1.25 -1.8369 -0.9992 1241233 Maybridge3_001422 COC(=O)c1sccc1NCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A15 compound treatment 0.224 -0.0214 -1.05 0.216 -0.0267 -1.47 -1.7825 -0.9869 2075960 Maybridge3_001423 COC(=O)c1sccc1OC(=O)c2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A16 compound treatment 0.204 -0.0414 -2.04 0.215 -0.0277 -1.52 -2.5196 -0.9895 2075961 Maybridge3_001424 Cn1ncc(Br)c1N2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A17 compound treatment 0.212 -0.0334 -1.65 0.207 -0.0357 -1.96 -2.5504 -0.9963 2075962 Maybridge3_001425 CC1=CC(=O)N(C1=O)c2cscc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A18 compound treatment 0.235 -0.0104 -0.51 0.221 -0.0217 -1.19 -1.2045 -0.9286 2075963 Maybridge3_001426 CCOC(=O)c1c(NC(=O)CSCC(=O)O)sc2CCCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A19 compound treatment 0.227 -0.0184 -0.91 0.218 -0.0247 -1.36 -1.6002 -0.9808 2075964 Maybridge3_001427 COC(=O)c1sccc1Oc2ccc(cc2N3C(=O)C=CC3=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A20 compound treatment 0.222 -0.0234 -1.15 0.221 -0.0217 -1.19 -1.6584 -0.9999 2075965 Maybridge3_001428 CCN(CC)c1ncnc2ccsc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A21 compound treatment 0.216 -0.0294 -1.45 0.223 -0.0197 -1.08 -1.7904 -0.9897 2075966 Maybridge3_001429 COC(=O)c1sccc1NC(=S)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A22 compound treatment 0.238 -0.00735 -0.36 0.227 -0.0157 -0.86 -0.8671 -0.926 1252231 Maybridge3_001430 COc1cc2ncnc(NC3CCCCC3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A23 mock treatment 0.217 -0.0284 -1.4 0.223 -0.0197 -1.08 -1.7555 -0.9919 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 A24 mock treatment 0.207 -0.0384 -1.89 0.174 -0.0687 -3.77 -4.0044 -0.9493 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B01 compound treatment 0.198 -0.0474 -2.34 0.206 -0.0367 -2.01 -3.078 -0.9972 1002465 Maybridge3_001431 COc1ncnc2n(C)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B02 compound treatment 0.25 0.00465 0.23 0.251 0.00826 0.45 0.4824 0.9503 1226265 Maybridge3_001432 O=c1c(coc2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B03 compound treatment 0.256 0.0106 0.53 0.258 0.0153 0.84 0.9633 0.9749 1511403 Maybridge3_001433 CN1CCN(CC1)c2ncnc3n(C)ncc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B04 compound treatment 0.257 0.0116 0.58 0.254 0.0113 0.62 0.8431 0.9994 2075967 Maybridge3_001434 COC(=O)c1sccc1NC(=O)CSc2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B05 compound treatment 0.257 0.0116 0.58 0.251 0.00826 0.45 0.7268 0.993 1216448 Maybridge3_001435 CCc1nc2ccccc2nc1N3CCN(CC3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B06 compound treatment 0.279 0.0336 1.66 0.273 0.0303 1.66 2.3479 1.0 2075968 Maybridge3_001436 Fc1ccc(cc1)C(=O)CSc2nncn2c3ccc(cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B07 compound treatment 0.299 0.0536 2.65 0.291 0.0483 2.65 3.7442 1.0 1233755 Maybridge3_001437 COc1ccc(cc1)S(=O)(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B08 compound treatment 0.281 0.0356 1.76 0.271 0.0283 1.55 2.3402 0.998 2075969 Maybridge3_001438 OC(=O)C1CCC1C(=O)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B09 compound treatment 0.248 0.00265 0.13 0.244 0.00126 0.07 0.1411 0.9555 2075970 Maybridge3_001439 Cc1ccc(Sc2ncnc3ccsc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B10 compound treatment 0.256 0.0106 0.53 0.256 0.0133 0.73 0.8857 0.9873 1285885 Maybridge3_001440 CCOC(=O)C1CCN(CC1)c2ncnc3c(C)csc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B11 compound treatment 0.267 0.0216 1.07 0.256 0.0133 0.73 1.2698 0.9824 2075971 Maybridge3_001441 FC(F)(F)Sc1ccc(NC(=O)n2ccc(n2)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B12 compound treatment 0.275 0.0296 1.46 0.276 0.0333 1.82 2.3246 0.9941 2075972 Maybridge3_001442 Clc1ccc2OCC(=Cc2c1)C(=O)NC3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B13 compound treatment 0.262 0.0166 0.82 0.252 0.00926 0.51 0.9402 0.9732 2075973 Maybridge3_001443 FC(F)(F)c1ccnc(n1)N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B14 compound treatment 0.266 0.0206 1.02 0.257 0.0143 0.78 1.2737 0.9914 2075974 Maybridge3_001444 COC(=O)c1ccc(Oc2ncnc3scc(c4ccccc4)c23)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B15 compound treatment 0.276 0.0306 1.51 0.269 0.0263 1.44 2.0881 0.9997 1332924 Maybridge3_001445 OC(CNCc1ccc(Cl)c(Cl)c1)Cn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B16 compound treatment 0.262 0.0166 0.82 0.257 0.0143 0.78 1.134 0.9997 1566659 Maybridge3_001446 OC(=O)CSCC(=O)N1CCC(CC1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B17 compound treatment 0.291 0.0456 2.25 0.283 0.0403 2.21 3.1547 0.9999 1330113 Maybridge3_001447 OC(COc1ccc(Br)cc1)CN2CCN(CC2)c3nc(ns3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B18 compound treatment 0.254 0.00865 0.43 0.251 0.00826 0.45 0.622 0.9996 1478473 Maybridge3_001448 OC(CNCc1ccco1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B19 compound treatment 0.252 0.00665 0.33 0.253 0.0103 0.56 0.6297 0.9671 2075975 Maybridge3_001449 FC(F)(F)c1cnc(CN2CCSCC2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B20 compound treatment 0.296 0.0506 2.5 0.276 0.0333 1.82 3.0579 0.988 1293079 Maybridge3_001450 Cc1nc(cs1)c2ccc(s2)S(=O)(=O)N3CCC(CC3)n4cccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B21 compound treatment 0.266 0.0206 1.02 0.261 0.0183 1.0 1.4288 1.0 1623262 Maybridge3_001451 Oc1ccccc1C(=O)Cc2c(O)c3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B22 compound treatment 0.254 0.00865 0.43 0.252 0.00926 0.51 0.6608 0.9963 1647526 Maybridge3_001452 NC(=O)C1CCN(CC(O)COc2ccc(Cl)c(Cl)c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B23 mock treatment 0.252 0.00665 0.33 0.247 0.00426 0.23 0.3971 0.9861 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 B24 mock treatment 0.225 -0.0204 -1.01 0.233 -0.00974 -0.53 -1.0884 -0.9562 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C01 compound treatment 0.213 -0.0324 -1.6 0.23 -0.0127 -0.7 -1.6238 -0.9312 1654093 Maybridge3_001453 CCOC(=O)c1c(C)csc1NC(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C02 compound treatment 0.243 -0.00235 -0.12 0.237 -0.00574 -0.31 -0.3048 -0.9083 1626680 Maybridge3_001454 CCOc1ccsc1C(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C03 compound treatment 0.253 0.00765 0.38 0.252 0.00926 0.51 0.6259 0.9894 1083431 Maybridge3_001455 COC(=O)c1cc(O)c(s1)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C04 compound treatment 0.248 0.00265 0.13 0.244 0.00126 0.07 0.1411 0.9555 2075976 Maybridge3_001456 COC(=O)c1csc2c(cc(nc12)N3CCNCC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C05 compound treatment 0.255 0.00965 0.48 0.251 0.00826 0.45 0.657 0.9997 1725420 Maybridge3_001457 CCCc1c(cnn1C)C(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C06 compound treatment 0.241 -0.00435 -0.22 0.238 -0.00474 -0.26 -0.3359 -0.9956 2075977 Maybridge3_001458 COC(=O)c1scc(C)c1NC(=O)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C07 compound treatment 0.24 -0.00535 -0.26 0.238 -0.00474 -0.26 -0.3708 -1.0 2075978 Maybridge3_001459 Cc1ccsc1/C=C/C(=O)Nc2ccccc2C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C08 compound treatment 0.251 0.00565 0.28 0.248 0.00526 0.29 0.401 0.9999 1419228 Maybridge3_001460 COC(CN(C)c1ncnc2sccc12)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C09 compound treatment 0.252 0.00665 0.33 0.245 0.00226 0.12 0.3196 0.9112 2075979 Maybridge3_001461 COC(=O)c1scc(C)c1n2c(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C10 compound treatment 0.274 0.0286 1.41 0.276 0.0333 1.82 2.2897 0.9921 2075980 Maybridge3_001462 CCOC(=O)c1cnc(Nc2ccc(C)cc2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C11 compound treatment 0.244 -0.00135 -0.07 0.245 0.00226 0.12 0.0402 0.2859 1722933 Maybridge3_001463 Cc1csc2c(ncnc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C12 compound treatment 0.245 -3.55E-4 -0.02 0.246 0.00326 0.18 0.1139 0.6347 1149300 Maybridge3_001464 COC(=O)c1sc(OC)cc1OC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C13 compound treatment 0.247 0.00165 0.08 0.241 -0.00174 -0.1 -0.0101 -0.0805 1369853 Maybridge3_001465 CCCc1c(cnn1c2ccc(Cl)cc2)C(=O)NCCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C14 compound treatment 0.245 -3.55E-4 -0.02 0.246 0.00326 0.18 0.1139 0.6347 1176229 Maybridge3_001466 COc1cc2nc[nH]c(=O)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C15 compound treatment 0.239 -0.00635 -0.31 0.236 -0.00674 -0.37 -0.4833 -0.9967 2075981 Maybridge3_001467 COC(=O)c1cnc(Sc2ccc(Cl)cc2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C16 compound treatment 0.246 6.45E-4 0.03 0.246 0.00326 0.18 0.1488 0.8203 2075982 Maybridge3_001468 Cn1ncc(Br)c1NC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C17 compound treatment 0.254 0.00865 0.43 0.254 0.0113 0.62 0.7384 0.9838 1463408 Maybridge3_001469 NC(=O)c1sc(cc1NC(=O)CCC(=O)O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C18 compound treatment 0.246 6.45E-4 0.03 0.245 0.00226 0.12 0.1101 0.861 1324320 Maybridge3_001470 C(N1CCC(CC1)Nc2ncnc3ccsc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C19 compound treatment 0.277 0.0316 1.56 0.25 0.00726 0.4 1.3864 0.8597 2075983 Maybridge3_001471 Cc1csc(c1)c2nc(no2)c3ccc(cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C20 compound treatment 0.236 -0.00935 -0.46 0.237 -0.00574 -0.31 -0.5493 -0.9825 1734193 Maybridge3_001472 C=CCNc1ncnc2sc3CCCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C21 compound treatment 0.241 -0.00435 -0.22 0.24 -0.00274 -0.15 -0.2584 -0.9847 1609819 Maybridge3_001473 COC(=O)c1scc(C)c1NC(=O)c2cccc(C#N)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C22 compound treatment 0.203 -0.0424 -2.09 0.216 -0.0267 -1.47 -2.5157 -0.9849 1527950 Maybridge3_001474 COc1cc2ncnc(NCCO)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C23 mock treatment 0.24 -0.00535 -0.26 0.237 -0.00574 -0.31 -0.4096 -0.9962 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 C24 mock treatment 0.229 -0.0164 -0.81 0.234 -0.00874 -0.48 -0.91 -0.969 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D01 compound treatment 0.232 -0.0134 -0.66 0.238 -0.00474 -0.26 -0.6502 -0.9172 2075984 Maybridge3_001475 Cn1ncc2c(NCC=C)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D02 compound treatment 0.275 0.0296 1.46 0.274 0.0313 1.71 2.247 0.9969 1348679 Maybridge3_001476 Cc1cc(Nc2cccc3OCOc32)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D03 compound treatment 0.282 0.0366 1.81 0.286 0.0433 2.37 2.9567 0.9911 1282459 Maybridge3_001477 CCc1nc2ccccc2nc1N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D04 compound treatment 0.249 0.00365 0.18 0.252 0.00926 0.51 0.4862 0.9028 2075985 Maybridge3_001478 Nc1nc(ncc1C#N)c2cnccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D05 compound treatment 0.255 0.00965 0.48 0.256 0.0133 0.73 0.8508 0.979 1316742 Maybridge3_001479 CCc1nc2ccccc2nc1N3CCN(CC3)C(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D06 compound treatment 0.271 0.0256 1.27 0.266 0.0233 1.28 1.7972 1.0 2075986 Maybridge3_001480 FC(F)(F)c1ccc(cc1)n2cnnc2SCC(=O)c3cc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D07 compound treatment 0.256 0.0106 0.53 0.253 0.0103 0.56 0.7694 0.9994 2075987 Maybridge3_001481 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2sccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D08 compound treatment 0.259 0.0136 0.67 0.26 0.0173 0.95 1.1456 0.9862 1222912 Maybridge3_001482 Cc1cc(N2CCN(CC2)C(=O)C3CCC3C(=O)O)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D09 compound treatment 0.258 0.0126 0.62 0.253 0.0103 0.56 0.8393 0.9986 2075988 Maybridge3_001483 COC(=O)c1c(C)sc2c(cc(OC)nc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D10 compound treatment 0.257 0.0116 0.58 0.255 0.0123 0.67 0.8819 0.997 1310044 Maybridge3_001484 Cc1csc2c(ncnc12)N3CCC(CC3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D11 compound treatment 0.253 0.00765 0.38 0.25 0.00726 0.4 0.5484 0.9997 2075989 Maybridge3_001485 FC(F)(F)c1ccn(CC(=O)c2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D12 compound treatment 0.244 -0.00135 -0.07 0.247 0.00426 0.23 0.1178 0.485 1581875 Maybridge3_001486 Cc1ccc(cc1)c2csc3ncnc(N4CCC(O)CC4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D13 compound treatment 0.251 0.00565 0.28 0.24 -0.00274 -0.15 0.0908 0.2867 2075990 Maybridge3_001487 OC(COc1ccc(cn1)C(F)(F)F)CSc2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D14 compound treatment 0.277 0.0316 1.56 0.276 0.0333 1.82 2.3944 0.997 1307607 Maybridge3_001488 C(Cc1ccccc1)Nc2nnns2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D15 compound treatment 0.247 0.00165 0.08 0.25 0.00726 0.4 0.3388 0.8343 1632354 Maybridge3_001489 Nc1ccccc1SCC(O)Cn2ccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D16 compound treatment 0.257 0.0116 0.58 0.257 0.0143 0.78 0.9594 0.9886 1634284 Maybridge3_001490 OC(=O)COCC(=O)N1CCC(CC1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D17 compound treatment 0.272 0.0266 1.32 0.272 0.0293 1.6 2.0647 0.9952 2075991 Maybridge3_001491 OC(COc1cccc(c1)C(F)(F)F)CN2CCN(CC2)c3nc(ns3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D18 compound treatment 0.254 0.00865 0.43 0.256 0.0133 0.73 0.8159 0.9678 1208214 Maybridge3_001492 NC(=O)C1CCN(CC(O)c2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D19 compound treatment 0.25 0.00465 0.23 0.247 0.00426 0.23 0.3273 1.0 2075992 Maybridge3_001493 FC(F)(F)c1cnc(COc2ccc(C#N)cc2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D20 compound treatment 0.255 0.00965 0.48 0.247 0.00426 0.23 0.5019 0.9462 2075993 Maybridge3_001494 Cc1nc(ccc1C(=O)NCc2nc(no2)c3ccc(cc3)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D21 compound treatment 0.246 6.45E-4 0.03 0.243 2.58E-4 0.01 0.0325 0.9333 2075994 Maybridge3_001495 Clc1ccc(s1)c2csc(n2)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D22 compound treatment 0.256 0.0106 0.53 0.255 0.0123 0.67 0.847 0.9926 2075995 Maybridge3_001496 OC(CN1CCN(CC1)c2ccc(cn2)C(F)(F)F)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D23 mock treatment 0.248 0.00265 0.13 0.249 0.00626 0.34 0.335 0.9124 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 D24 mock treatment 0.238 -0.00735 -0.36 0.242 -7.42E-4 -0.04 -0.2856 -0.7814 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E01 compound treatment 0.29 0.0446 2.2 0.298 0.0553 3.03 3.7013 0.9878 2075996 Maybridge3_001497 CSC(=C(C#N)c1nc2ccccc2s1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E02 compound treatment 0.254 0.00865 0.43 0.253 0.0103 0.56 0.6996 0.9907 2075997 Maybridge3_001498 CCC(=O)Nc1ccsc1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E03 compound treatment 0.263 0.0176 0.87 0.259 0.0163 0.89 1.2465 0.9999 1151693 Maybridge3_001499 COC(=O)c1sc(cc1NC(=O)CC#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E04 compound treatment 0.255 0.00965 0.48 0.253 0.0103 0.56 0.7345 0.9966 2075998 Maybridge3_001500 CN(C)c1cc(nc(N(C)C)c1C#N)N2CCNCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E05 compound treatment 0.289 0.0436 2.16 0.29 0.0473 2.59 3.3562 0.9958 2075999 Maybridge3_001501 CSC(=CC(=O)c1ccncc1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E06 compound treatment 0.256 0.0106 0.53 0.256 0.0133 0.73 0.8857 0.9873 1231689 Maybridge3_001502 COC(=O)c1scc(C)c1NC(=O)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E07 compound treatment 0.246 6.45E-4 0.03 0.244 0.00126 0.07 0.0713 0.9384 1506674 Maybridge3_001503 Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)N)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E08 compound treatment 0.265 0.0196 0.97 0.256 0.0133 0.73 1.2 0.9899 1236817 Maybridge3_001504 Cc1ccc(cc1)C(=O)N2CCN(CC2)Sc3ncnc4sccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E09 compound treatment 0.257 0.0116 0.58 0.254 0.0113 0.62 0.8431 0.9994 2076000 Maybridge3_001505 Clc1ccsc1C(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E10 compound treatment 0.256 0.0106 0.53 0.249 0.00626 0.34 0.6143 0.9786 2076001 Maybridge3_001506 CCOC(=O)c1cnc(SCc2ccc(Cl)cc2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E11 compound treatment 0.254 0.00865 0.43 0.257 0.0143 0.78 0.8547 0.9595 1703436 Maybridge3_001507 Cc1csc2c(NCCc3ccccn3)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E12 compound treatment 0.26 0.0146 0.72 0.261 0.0183 1.0 1.2193 0.9873 1417185 Maybridge3_001508 COC(=O)c1sc(OC)cc1OC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E13 compound treatment 0.26 0.0146 0.72 0.254 0.0113 0.62 0.9479 0.9969 2076002 Maybridge3_001509 COc1ncnc2c(C)csc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E14 compound treatment 0.264 0.0186 0.92 0.263 0.0203 1.11 1.4365 0.9957 1709899 Maybridge3_001510 Cc1csc(NC(=O)c2ccco2)c1C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E15 compound treatment 0.274 0.0286 1.41 0.254 0.0113 0.62 1.4367 0.9309 2076003 Maybridge3_001511 CC1CN(CC(C)O1)c2ncc(C(=O)OCc3ccccc3)c(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E16 compound treatment 0.253 0.00765 0.38 0.255 0.0123 0.67 0.7422 0.9628 2076004 Maybridge3_001512 Cn1ncc(Br)c1N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E17 compound treatment 0.252 0.00665 0.33 0.254 0.0113 0.62 0.6685 0.9563 2076005 Maybridge3_001513 FC(F)(F)c1nc(Sc2ccccn2)ncc1C(=O)OCC3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E18 compound treatment 0.25 0.00465 0.23 0.253 0.0103 0.56 0.5599 0.9218 2076006 Maybridge3_001514 COC(=O)CSc1ncnc2ccsc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E19 compound treatment 0.253 0.00765 0.38 0.252 0.00926 0.51 0.6259 0.9894 1525253 Maybridge3_001515 COC(=O)c1[nH]c2cscc2c(=O)c1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E20 compound treatment 0.274 0.0286 1.41 0.276 0.0333 1.82 2.2897 0.9921 2076007 Maybridge3_001516 C(CNc1ncnc2sc3CCCCc3c12)Cn4ccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E21 compound treatment 0.255 0.00965 0.48 0.255 0.0123 0.67 0.812 0.9858 1269434 Maybridge3_001517 COC(=O)c1sccc1NC(=O)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E22 compound treatment 0.21 -0.0354 -1.75 0.21 -0.0327 -1.8 -2.5039 -0.9999 1171678 Maybridge3_001518 COc1cc2ncnc(N3CCCC3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E23 mock treatment 0.249 0.00365 0.18 0.249 0.00626 0.34 0.3699 0.9547 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 E24 mock treatment 0.246 6.45E-4 0.03 0.248 0.00526 0.29 0.2264 0.7805 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F01 compound treatment 0.236 -0.00935 -0.46 0.246 0.00326 0.18 -0.2003 -0.4045 1011408 Maybridge3_001519 CCN(CC)c1ncnc2n(C)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F02 compound treatment 0.255 0.00965 0.48 0.256 0.0133 0.73 0.8508 0.979 1431486 Maybridge3_001520 COC(=O)c1sccc1S(=O)(=O)Nc2ncc(C)cc2Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F03 compound treatment 0.259 0.0136 0.67 0.258 0.0153 0.84 1.068 0.9942 1497965 Maybridge3_001521 CCc1nc2ccccc2nc1N3CCN(CC3)C(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F04 compound treatment 0.249 0.00365 0.18 0.252 0.00926 0.51 0.4862 0.9028 2076008 Maybridge3_001522 FC(F)(F)c1ccc(cc1)c2noc(CNS(=O)(=O)c3cccs3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F05 compound treatment 0.259 0.0136 0.67 0.249 0.00626 0.34 0.7191 0.951 2076009 Maybridge3_001523 Cc1ccc(SC(=O)c2cnn(C)c2n3cccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F06 compound treatment 0.257 0.0116 0.58 0.254 0.0113 0.62 0.8431 0.9994 2076010 Maybridge3_001524 FC(F)(F)C1=NCCN(C=C1)S(=O)(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F07 compound treatment 0.269 0.0236 1.17 0.261 0.0183 1.0 1.5335 0.9971 1589615 Maybridge3_001525 OC(=O)CCC(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F08 compound treatment 0.272 0.0266 1.32 0.258 0.0153 0.84 1.522 0.9761 2076011 Maybridge3_001526 Cc1ccc(C)n1c2cc(C)ccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F09 compound treatment 0.256 0.0106 0.53 0.261 0.0183 1.0 1.0796 0.9548 1103409 Maybridge3_001527 OC(=O)CNC(=O)OCC1c2ccccc2-c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F10 compound treatment 0.259 0.0136 0.67 0.25 0.00726 0.4 0.7579 0.9684 1406399 Maybridge3_001528 CCOC(=O)C1CCN(CC1)c2ncnc3scc(C)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F11 compound treatment 0.268 0.0226 1.12 0.26 0.0173 0.95 1.4598 0.9965 2076012 Maybridge3_001529 FC(F)(F)c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F12 compound treatment 0.257 0.0116 0.58 0.258 0.0153 0.84 0.9982 0.9833 1167269 Maybridge3_001530 OC(=O)CSCC(=O)Nc1cccc(F)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F13 compound treatment 0.257 0.0116 0.58 0.248 0.00526 0.29 0.6105 0.949 2076013 Maybridge3_001531 Nc1ccccc1SCC(O)COc2cccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F14 compound treatment 0.276 0.0306 1.51 0.272 0.0293 1.6 2.2044 0.9996 2076014 Maybridge3_001532 Cc1nc(cs1)c2cc3cc(Cl)ccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F15 compound treatment 0.269 0.0236 1.17 0.262 0.0193 1.06 1.5723 0.9987 2076015 Maybridge3_001533 FC(F)(F)c1ccn(n1)c2ccc(NC(=O)c3cccs3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F16 compound treatment 0.259 0.0136 0.67 0.26 0.0173 0.95 1.1456 0.9862 1600775 Maybridge3_001534 OC(=O)CC1(CC(=O)N2CCC(CC2)n3cccc3)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F17 compound treatment 0.253 0.00765 0.38 0.255 0.0123 0.67 0.7422 0.9628 2076016 Maybridge3_001535 FC(F)(F)c1ccnc(SC(=O)c2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F18 compound treatment 0.254 0.00865 0.43 0.256 0.0133 0.73 0.8159 0.9678 1411549 Maybridge3_001536 NC(=O)C1CCN(Cn2cnc3ccccc23)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F19 compound treatment 0.26 0.0146 0.72 0.254 0.0113 0.62 0.9479 0.9969 2076017 Maybridge3_001537 CCOC(=O)c1cc(C(=O)OCC)c(nc1/C=C/N(C)C)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F20 compound treatment 0.268 0.0226 1.12 0.266 0.0233 1.28 1.6924 0.9979 1369688 Maybridge3_001538 Fc1cccc(Cl)c1CN2CCCN(CC2)S(=O)(=O)c3cccc4cccnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F21 compound treatment 0.256 0.0106 0.53 0.256 0.0133 0.73 0.8857 0.9873 1259217 Maybridge3_001539 COC(=O)Cc1nc(NC(=O)c2ccccc2)sc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F22 compound treatment 0.264 0.0186 0.92 0.268 0.0253 1.38 1.6303 0.9803 1513795 Maybridge3_001540 OC(CN1CCC(O)(CC1)c2ccc(Cl)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F23 mock treatment 0.257 0.0116 0.58 0.248 0.00526 0.29 0.6105 0.949 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 F24 mock treatment 0.24 -0.00535 -0.26 0.254 0.0113 0.62 0.2495 0.3715 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G01 compound treatment 0.324 0.0786 3.88 0.314 0.0713 3.91 5.5088 1.0 1371497 Maybridge3_001541 CSc1cc(nc(c1)c2ccncc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G02 compound treatment 0.248 0.00265 0.13 0.253 0.0103 0.56 0.4901 0.8487 2076018 Maybridge3_001542 CC(C)(C)c1cc(/N=C/c2ccc(O)cc2)c(C#N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G03 compound treatment 0.257 0.0116 0.58 0.253 0.0103 0.56 0.8043 0.9999 2076019 Maybridge3_001543 CCOC(=O)c1cn(nc1C(F)(F)F)S(=O)(=O)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G04 compound treatment 0.252 0.00665 0.33 0.251 0.00826 0.45 0.5522 0.9875 2076020 Maybridge3_001544 COC(=O)c1scc(C)c1NC(=O)/C=C/C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G05 compound treatment 0.289 0.0436 2.16 0.285 0.0423 2.32 3.1624 0.9993 2076021 Maybridge3_001545 CSC(=CC(=O)c1ccccn1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G06 compound treatment 0.247 0.00165 0.08 0.256 0.0133 0.73 0.5715 0.7813 2076022 Maybridge3_001546 COC(=O)c1ccsc1N2C(=O)C=C(C)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G07 compound treatment 0.254 0.00865 0.43 0.25 0.00726 0.4 0.5833 0.9994 2076023 Maybridge3_001547 Cn1ncc(COC(=O)Nc2c(Cl)cccc2Cl)c1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G08 compound treatment 0.257 0.0116 0.58 0.25 0.00726 0.4 0.688 0.9838 2076024 Maybridge3_001548 S(c1ccccc1)c2ncnc3sccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G09 compound treatment 0.256 0.0106 0.53 0.251 0.00826 0.45 0.6919 0.9972 2076025 Maybridge3_001549 COC(=O)c1scc(C)c1NC(=O)CSc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G10 compound treatment 0.262 0.0166 0.82 0.26 0.0173 0.95 1.2503 0.9975 2076026 Maybridge3_001550 CCOC(=O)c1cnc(Sc2ccccc2N)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G11 compound treatment 0.263 0.0176 0.87 0.253 0.0103 0.56 1.0138 0.9776 2076027 Maybridge3_001551 CN(C)c1ncnc2c(C)csc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G12 compound treatment 0.283 0.0376 1.86 0.286 0.0433 2.37 2.9916 0.9927 1557528 Maybridge3_001552 CC(C)Cc1ccc(cc1)c2cc(N)c(s2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G13 compound treatment 0.259 0.0136 0.67 0.249 0.00626 0.34 0.7191 0.951 2076028 Maybridge3_001553 CCOC(=O)c1ccc(cc1)n2c(CC)nc3c(C)csc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G14 compound treatment 0.257 0.0116 0.58 0.259 0.0163 0.89 1.037 0.9775 2076029 Maybridge3_001554 Cc1csc(N2C(=O)C=CC2=O)c1C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G15 compound treatment 0.254 0.00865 0.43 0.246 0.00326 0.18 0.4282 0.9253 2076030 Maybridge3_001555 COC(=O)c1cnc(Sc2ccccn2)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G16 compound treatment 0.248 0.00265 0.13 0.249 0.00626 0.34 0.335 0.9124 2076031 Maybridge3_001556 Cc1ccc(SCC(=O)Nc2c(Br)cnn2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G17 compound treatment 0.257 0.0116 0.58 0.257 0.0143 0.78 0.9594 0.9886 2076032 Maybridge3_001557 COC(=O)c1sccc1Oc2ccc(cc2N)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G18 compound treatment 0.256 0.0106 0.53 0.254 0.0113 0.62 0.8082 0.9968 2076033 Maybridge3_001558 C(CNc1ncnc2ccsc12)Cn3ccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G19 compound treatment 0.255 0.00965 0.48 0.251 0.00826 0.45 0.657 0.9997 1549025 Maybridge3_001559 COC(=O)c1c(C)scc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G20 compound treatment 0.236 -0.00935 -0.46 0.247 0.00426 0.23 -0.1616 -0.3121 1637056 Maybridge3_001560 CC(C)Nc1ncnc2ccsc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G21 compound treatment 0.254 0.00865 0.43 0.254 0.0113 0.62 0.7384 0.9838 2076034 Maybridge3_001561 COC(=O)c1scc(C)c1NC(=S)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G22 compound treatment 0.242 -0.00335 -0.17 0.245 0.00226 0.12 -0.0296 -0.1431 1193958 Maybridge3_001562 COc1cc2ncnc(N3CCN(C)CC3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G23 mock treatment 0.252 0.00665 0.33 0.25 0.00726 0.4 0.5134 0.9954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 G24 mock treatment 0.246 6.45E-4 0.03 0.242 -7.42E-4 -0.04 -0.0062 -0.1207 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H01 compound treatment 0.244 -0.00135 -0.07 0.245 0.00226 0.12 0.0402 0.2859 1333518 Maybridge3_001563 Cn1ncc2c(NC3CCCCC3)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H02 compound treatment 0.253 0.00765 0.38 0.256 0.0133 0.73 0.781 0.9534 2076035 Maybridge3_001564 Clc1ccc2oc(cc2c1)C(=O)CNc3ccc4OCCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H03 compound treatment 0.244 -0.00135 -0.07 0.239 -0.00374 -0.21 -0.1924 -0.8915 2076036 Maybridge3_001565 Cn1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H04 compound treatment 0.257 0.0116 0.58 0.251 0.00826 0.45 0.7268 0.993 2076037 Maybridge3_001566 CCOC(=O)c1c(C)csc1NC(=O)CSCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H05 compound treatment 0.256 0.0106 0.53 0.255 0.0123 0.67 0.847 0.9926 2076038 Maybridge3_001567 CC(C)NC(=O)c1cnn(C)c1n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H06 compound treatment 0.253 0.00765 0.38 0.249 0.00626 0.34 0.5096 0.9989 2076039 Maybridge3_001568 FC(F)(F)C1=NCCN(C=C1)S(=O)(=O)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H07 compound treatment 0.255 0.00965 0.48 0.254 0.0113 0.62 0.7733 0.9918 2076040 Maybridge3_001569 Cc1csc2nc(CN3CCOCC3)[nH]c(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H08 compound treatment 0.252 0.00665 0.33 0.249 0.00626 0.34 0.4747 0.9998 1561566 Maybridge3_001570 Fc1ccc(cc1)S(=O)(=O)Nc2cccc(Oc3ccc(Cl)cc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H09 compound treatment 0.249 0.00365 0.18 0.247 0.00426 0.23 0.2924 0.9917 1416686 Maybridge3_001571 Nc1ncncc1c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H10 compound treatment 0.254 0.00865 0.43 0.257 0.0143 0.78 0.8547 0.9595 1454169 Maybridge3_001572 Cc1csc2ncnc(N3CCC(CC3)C(=O)O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H11 compound treatment 0.258 0.0126 0.62 0.247 0.00426 0.23 0.6066 0.91 2076041 Maybridge3_001573 CC(C)(C)NC(=O)Cn1ccc(n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H12 compound treatment 0.25 0.00465 0.23 0.259 0.0163 0.89 0.7925 0.861 1457035 Maybridge3_001574 OC(=O)CCCC(=O)Nc1cccc(F)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H13 compound treatment 0.252 0.00665 0.33 0.244 0.00126 0.07 0.2808 0.8374 2076042 Maybridge3_001575 CC(C)NCC(O)Cn1ccc(n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H14 compound treatment 0.263 0.0176 0.87 0.261 0.0183 1.0 1.324 0.9976 2076043 Maybridge3_001576 Clc1cccc(Nc2nnns2)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H15 compound treatment 0.254 0.00865 0.43 0.252 0.00926 0.51 0.6608 0.9963 2076044 Maybridge3_001577 Cc1noc(C)c1C(=O)Nc2ccc(cc2)n3ccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H16 compound treatment 0.249 0.00365 0.18 0.249 0.00626 0.34 0.3699 0.9547 2076045 Maybridge3_001578 FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(CC2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H17 compound treatment 0.251 0.00565 0.28 0.254 0.0113 0.62 0.6336 0.9355 2076046 Maybridge3_001579 Cc1noc(C)c1C(=O)Sc2nccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H18 compound treatment 0.262 0.0166 0.82 0.257 0.0143 0.78 1.134 0.9997 1324200 Maybridge3_001580 CC(C)(C)c1cc2ncnc(NCc3ccc4OCOc4c3)c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H19 compound treatment 0.245 -3.55E-4 -0.02 0.247 0.00426 0.23 0.1527 0.6522 2076047 Maybridge3_001581 CCOC(=O)c1cc2c(O)nccc2nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H20 compound treatment 0.274 0.0286 1.41 0.253 0.0103 0.56 1.3979 0.9183 2076048 Maybridge3_001582 CN(C)c1ccc(cc1)n2nnnc2SCc3cc(F)cc(F)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H21 compound treatment 0.296 0.0506 2.5 0.28 0.0373 2.04 3.2129 0.995 2076049 Maybridge3_001583 Clc1ccc(s1)c2csc(n2)c3ccsc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H22 compound treatment 0.252 0.00665 0.33 0.248 0.00526 0.29 0.4359 0.9979 2076050 Maybridge3_001584 FC(F)(F)c1ccc(nc1)N2CCN(Cn3nnc4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H23 mock treatment 0.248 0.00265 0.13 0.254 0.0113 0.62 0.5288 0.8382 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 H24 mock treatment 0.256 0.0106 0.53 0.242 -7.42E-4 -0.04 0.3429 0.6504 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I01 compound treatment 0.265 0.0196 0.97 0.277 0.0343 1.88 2.0142 0.9527 2076051 Maybridge3_001585 CSc1cc(nc(c1)c2ccc(Cl)cc2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I02 compound treatment 0.278 0.0326 1.61 0.275 0.0323 1.77 2.3906 0.9989 2076052 Maybridge3_001586 CCOc1ccsc1c2nnc(o2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I03 compound treatment 0.247 0.00165 0.08 0.248 0.00526 0.29 0.2613 0.8724 2076053 Maybridge3_001587 CCCc1nn(cc1C(=O)OCC)S(=O)(=O)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I04 compound treatment 0.253 0.00765 0.38 0.254 0.0113 0.62 0.7034 0.9722 2076054 Maybridge3_001588 Cn1cc(Br)c(NC(=O)/C=C/C(=O)O)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I05 compound treatment 0.254 0.00865 0.43 0.256 0.0133 0.73 0.8159 0.9678 2076055 Maybridge3_001589 CSc1cc(nc(c1)C(C)(C)C)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I06 compound treatment 0.253 0.00765 0.38 0.256 0.0133 0.73 0.781 0.9534 2076056 Maybridge3_001590 Cc1ccc(Sc2ncnc3sccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I07 compound treatment 0.276 0.0306 1.51 0.272 0.0293 1.6 2.2044 0.9996 2076057 Maybridge3_001591 NC(=O)c1sc(cc1NC(=O)C(F)(F)F)c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I08 compound treatment 0.261 0.0156 0.77 0.254 0.0113 0.62 0.9828 0.9938 1713558 Maybridge3_001592 CCC(C)Nc1ncnc2sccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I09 compound treatment 0.26 0.0146 0.72 0.261 0.0183 1.0 1.2193 0.9873 2076058 Maybridge3_001593 Cc1csc(c1Cl)c2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I10 compound treatment 0.256 0.0106 0.53 0.257 0.0143 0.78 0.9245 0.9814 2076059 Maybridge3_001594 Clc1ccc(cc1)c2nnnn2Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I11 compound treatment 0.259 0.0136 0.67 0.258 0.0153 0.84 1.068 0.9942 1700183 Maybridge3_001595 CN(CCO)c1ncnc2c(C)csc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I12 compound treatment 0.261 0.0156 0.77 0.264 0.0213 1.17 1.3705 0.9801 1392540 Maybridge3_001596 Cn1nccc1NC(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I13 compound treatment 0.255 0.00965 0.48 0.26 0.0173 0.95 1.0059 0.9495 2076060 Maybridge3_001597 COC(=O)c1sccc1NS(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I14 compound treatment 0.253 0.00765 0.38 0.252 0.00926 0.51 0.6259 0.9894 2076061 Maybridge3_001598 COC(=O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I15 compound treatment 0.252 0.00665 0.33 0.253 0.0103 0.56 0.6297 0.9671 2076062 Maybridge3_001599 Cc1csc(c1)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I16 compound treatment 0.248 0.00265 0.13 0.251 0.00826 0.45 0.4125 0.8754 2076063 Maybridge3_001600 COc1cc2ncnc(Sc3ccccn3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I17 compound treatment 0.265 0.0196 0.97 0.26 0.0173 0.95 1.3551 0.9999 1306500 Maybridge3_001601 COc1ccc(cc1OC)C(C#N)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I18 compound treatment 0.251 0.00565 0.28 0.249 0.00626 0.34 0.4397 0.9947 2076064 Maybridge3_001602 C(CNc1ncnc2ccsc12)CN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I19 compound treatment 0.254 0.00865 0.43 0.256 0.0133 0.73 0.8159 0.9678 2076065 Maybridge3_001603 COC(=O)c1c(C)scc1NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I20 compound treatment 0.246 6.45E-4 0.03 0.245 0.00226 0.12 0.1101 0.861 1528852 Maybridge3_001604 C(Cc1ccccc1)Nc2ncnc3ccsc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I21 compound treatment 0.25 0.00465 0.23 0.246 0.00326 0.18 0.2885 0.9924 2076066 Maybridge3_001605 CCOC(=O)c1cnn(c1C(F)(F)F)c2ccc(NC(=O)C(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I22 compound treatment 0.256 0.0106 0.53 0.258 0.0153 0.84 0.9633 0.9749 2076067 Maybridge3_001606 CCOc1ncnc2cc(OC)c(OC)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I23 mock treatment 0.256 0.0106 0.53 0.252 0.00926 0.51 0.7306 0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 I24 mock treatment 0.256 0.0106 0.53 0.242 -7.42E-4 -0.04 0.3429 0.6504 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J01 compound treatment 0.232 -0.0134 -0.66 0.244 0.00126 0.07 -0.4175 -0.6297 1734498 Maybridge3_001607 CC(C)Nc1ncnc2n(C)ncc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J02 compound treatment 0.245 -3.55E-4 -0.02 0.247 0.00426 0.23 0.1527 0.6522 1212602 Maybridge3_001608 OC(=O)CSCC(=O)Nc1ccc2OCCCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J03 compound treatment 0.251 0.00565 0.28 0.249 0.00626 0.34 0.4397 0.9947 1214364 Maybridge3_001609 COc1cccc(NC(=O)c2cnn(C)c2n3cccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J04 compound treatment 0.248 0.00265 0.13 0.247 0.00426 0.23 0.2575 0.9623 1517146 Maybridge3_001610 Cc1onc(c1C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J05 compound treatment 0.256 0.0106 0.53 0.253 0.0103 0.56 0.7694 0.9994 1405010 Maybridge3_001611 Cn1ncc(C(=O)NC2CCCCC2)c1n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J06 compound treatment 0.254 0.00865 0.43 0.256 0.0133 0.73 0.8159 0.9678 2076068 Maybridge3_001612 COC(=O)Cc1nc(NC(=O)c2cc(C)oc2C(F)(F)F)sc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J07 compound treatment 0.26 0.0146 0.72 0.253 0.0103 0.56 0.9091 0.9923 1274900 Maybridge3_001613 C1CN(CCO1)c2ncnc3ccsc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J08 compound treatment 0.254 0.00865 0.43 0.253 0.0103 0.56 0.6996 0.9907 1262185 Maybridge3_001614 Fc1ccc(cc1)S(=O)(=O)Nc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J09 compound treatment 0.253 0.00765 0.38 0.249 0.00626 0.34 0.5096 0.9989 2076069 Maybridge3_001615 CCN(CC)CC(O)COc1cc(ccn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J10 compound treatment 0.273 0.0276 1.37 0.273 0.0303 1.66 2.1384 0.9953 2076070 Maybridge3_001616 CC(=O)Nc1scc(C)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J11 compound treatment 0.245 -3.55E-4 -0.02 0.245 0.00226 0.12 0.0752 0.601 2076071 Maybridge3_001617 FC(F)(F)c1ccn(CC(=O)Nc2cccc(c2)C(F)(F)F)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J12 compound treatment 0.248 0.00265 0.13 0.251 0.00826 0.45 0.4125 0.8754 2076072 Maybridge3_001618 COC(=O)c1sc(cc1Cl)S(=O)(=O)Nc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J13 compound treatment 0.251 0.00565 0.28 0.254 0.0113 0.62 0.6336 0.9355 2076073 Maybridge3_001619 OC(CN1CCCC1)Cn2ccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J14 compound treatment 0.252 0.00665 0.33 0.251 0.00826 0.45 0.5522 0.9875 2076074 Maybridge3_001620 Fc1ccc(Nc2nnns2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J15 compound treatment 0.256 0.0106 0.53 0.249 0.00626 0.34 0.6143 0.9786 2076075 Maybridge3_001621 OC(=O)/C=C/C(=O)Nc1ccc(cc1)n2ccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J16 compound treatment 0.274 0.0286 1.41 0.27 0.0273 1.49 2.057 0.9996 2076076 Maybridge3_001622 FC(F)(F)c1ccc(cc1)c2noc(CNC(=O)c3ccccc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J17 compound treatment 0.261 0.0156 0.77 0.255 0.0123 0.67 1.0215 0.9976 2076077 Maybridge3_001623 FC(F)(F)c1ccnc(SCC(=O)c2ccc(Br)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J18 compound treatment 0.251 0.00565 0.28 0.248 0.00526 0.29 0.401 0.9999 1631856 Maybridge3_001624 COc1ccccc1CNS(=O)(=O)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J19 compound treatment 0.257 0.0116 0.58 0.248 0.00526 0.29 0.6105 0.949 2076078 Maybridge3_001625 CCOC(=O)c1cc2ncc(cc2s1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J20 compound treatment 0.27 0.0246 1.22 0.266 0.0233 1.28 1.7623 0.9997 2076079 Maybridge3_001626 CN(C)c1ccc(cc1)n2nnnc2SCc3ccc(OC(F)(F)F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J21 compound treatment 0.269 0.0236 1.17 0.265 0.0223 1.22 1.6886 0.9998 2076080 Maybridge3_001627 Cc1nc(cs1)c2nc(cs2)c3ccc(Cl)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J22 compound treatment 0.25 0.00465 0.23 0.247 0.00426 0.23 0.3273 1.0 1494021 Maybridge3_001628 OC1(CCN(Cn2nnc3ccccc23)CC1)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J23 mock treatment 0.249 0.00365 0.18 0.248 0.00526 0.29 0.3311 0.9743 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 J24 mock treatment 0.252 0.00665 0.33 0.244 0.00126 0.07 0.2808 0.8374 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K01 compound treatment 0.247 0.00165 0.08 0.246 0.00326 0.18 0.1838 0.9364 1728065 Maybridge3_001629 Cn1ncc(C(=O)Nc2cc(Cl)ccc2Cl)c1n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K02 compound treatment 0.263 0.0176 0.87 0.26 0.0173 0.95 1.2852 0.9992 2076081 Maybridge3_001630 Cn1nc(c2cc(sc12)C(=O)Nc3ccc(F)cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K03 compound treatment 0.252 0.00665 0.33 0.252 0.00926 0.51 0.591 0.9777 2076082 Maybridge3_001631 CCCc1nn(cc1C(=O)OCC)C(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K04 compound treatment 0.257 0.0116 0.58 0.259 0.0163 0.89 1.037 0.9775 2076083 Maybridge3_001632 NC(=O)c1sc(cc1NC(=O)/C=C/C(=O)O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K05 compound treatment 0.262 0.0166 0.82 0.269 0.0263 1.44 1.5993 0.9647 2076084 Maybridge3_001633 Clc1ccc(SC(=O)N/C=C/c2ccsc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K06 compound treatment 0.26 0.0146 0.72 0.261 0.0183 1.0 1.2193 0.9873 1696268 Maybridge3_001634 COC(=O)c1ccsc1NC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K07 compound treatment 0.264 0.0186 0.92 0.271 0.0283 1.55 1.7466 0.9691 2076085 Maybridge3_001635 NC(=O)c1sc(cc1N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K08 compound treatment 0.257 0.0116 0.58 0.262 0.0193 1.06 1.1533 0.9592 1256908 Maybridge3_001636 Clc1ccc(CCNc2ncnc3sccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K09 compound treatment 0.262 0.0166 0.82 0.264 0.0213 1.17 1.4054 0.9854 2076086 Maybridge3_001637 Clc1ccsc1c2nc(no2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K10 compound treatment 0.261 0.0156 0.77 0.258 0.0153 0.84 1.1379 0.9992 2076087 Maybridge3_001638 Clc1cc(Cl)cc(c1)c2nnnn2Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K11 compound treatment 0.253 0.00765 0.38 0.251 0.00826 0.45 0.5871 0.9959 2076088 Maybridge3_001639 Cc1csc2ncnc(Sc3ccc(Cl)cc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K12 compound treatment 0.257 0.0116 0.58 0.255 0.0123 0.67 0.8819 0.997 2076089 Maybridge3_001640 COC(=O)c1sccc1Oc2ccc(cc2NC(=O)c3ccco3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K13 compound treatment 0.263 0.0176 0.87 0.261 0.0183 1.0 1.324 0.9976 2076090 Maybridge3_001641 FC(F)(F)Oc1ccc(NC(=O)C2CCc3ccccc3O2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K14 compound treatment 0.256 0.0106 0.53 0.253 0.0103 0.56 0.7694 0.9994 2076091 Maybridge3_001642 COC(=O)c1sccc1S(=O)(=O)Nc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K15 compound treatment 0.259 0.0136 0.67 0.253 0.0103 0.56 0.8742 0.996 1655288 Maybridge3_001643 Cc1cc(Br)c(N2C(=O)CCC2=O)c(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K16 compound treatment 0.255 0.00965 0.48 0.257 0.0143 0.78 0.8896 0.9718 1429650 Maybridge3_001644 COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K17 compound treatment 0.262 0.0166 0.82 0.262 0.0193 1.06 1.3279 0.9923 2076092 Maybridge3_001645 CC(=C)c1ccccc(=O)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K18 compound treatment 0.246 6.45E-4 0.03 0.243 2.58E-4 0.01 0.0325 0.9333 1557491 Maybridge3_001646 C1CCN(CC1)Nc2ncnc3ccsc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K19 compound treatment 0.249 0.00365 0.18 0.247 0.00426 0.23 0.2924 0.9917 2076093 Maybridge3_001647 COC(=O)c1c(C)scc1NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K20 compound treatment 0.252 0.00665 0.33 0.255 0.0123 0.67 0.7073 0.9457 2076094 Maybridge3_001648 Cn1nccc1NC(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K21 compound treatment 0.248 0.00265 0.13 0.246 0.00326 0.18 0.2187 0.9882 2076095 Maybridge3_001649 FC(F)(F)c1cccc(c1)S(=O)(=O)Nc2ccsc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K22 compound treatment 0.336 0.0906 4.48 0.318 0.0753 4.13 6.0829 0.9992 2076096 Maybridge3_001650 COC(=O)c1sc(cc1N)c2ccc(cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K23 mock treatment 0.25 0.00465 0.23 0.25 0.00726 0.4 0.4436 0.9657 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 K24 mock treatment 0.253 0.00765 0.38 0.25 0.00726 0.4 0.5484 0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L01 compound treatment 0.246 6.45E-4 0.03 0.251 0.00826 0.45 0.3427 0.755 1002486 Maybridge3_001651 Cn1ncc2c(NCCO)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L02 compound treatment 0.252 0.00665 0.33 0.252 0.00926 0.51 0.591 0.9777 2076097 Maybridge3_001652 OC(=O)CCC(=O)Nc1ccc2OCCCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L03 compound treatment 0.26 0.0146 0.72 0.26 0.0173 0.95 1.1805 0.9912 2076098 Maybridge3_001653 COc1cccc(/C=N/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L04 compound treatment 0.249 0.00365 0.18 0.246 0.00326 0.18 0.2536 1.0 1259328 Maybridge3_001654 OC1(CCN(CC1)C(=O)C2CCCCC2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L05 compound treatment 0.258 0.0126 0.62 0.26 0.0173 0.95 1.1106 0.9796 2076099 Maybridge3_001655 Cn1ncc(C(=O)NCC=C)c1n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L06 compound treatment 0.255 0.00965 0.48 0.253 0.0103 0.56 0.7345 0.9966 2076100 Maybridge3_001656 COc1ccc(Oc2ccc(c(NC(=O)C3CCC3C(=O)O)c2)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L07 compound treatment 0.258 0.0126 0.62 0.257 0.0143 0.78 0.9943 0.9938 2076101 Maybridge3_001657 OC(=O)/C=C/C(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L08 compound treatment 0.253 0.00765 0.38 0.252 0.00926 0.51 0.6259 0.9894 1247535 Maybridge3_001658 COc1ccc(NC(=O)C2CC2)cc1OC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L09 compound treatment 0.262 0.0166 0.82 0.26 0.0173 0.95 1.2503 0.9975 2076102 Maybridge3_001659 OC(CNCCc1cccs1)COc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L10 compound treatment 0.254 0.00865 0.43 0.255 0.0123 0.67 0.7771 0.976 2076103 Maybridge3_001660 Cc1csc(NC(=O)C(F)(F)F)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L11 compound treatment 0.251 0.00565 0.28 0.252 0.00926 0.51 0.5561 0.9602 2076104 Maybridge3_001661 FC(F)(F)c1ccnc(NCc2ccco2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L12 compound treatment 0.253 0.00765 0.38 0.252 0.00926 0.51 0.6259 0.9894 2076105 Maybridge3_001662 COC(=O)c1sc(cc1Cl)S(=O)(=O)Nc2ccc(OC)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L13 compound treatment 0.248 0.00265 0.13 0.251 0.00826 0.45 0.4125 0.8754 2076106 Maybridge3_001663 OC(Cn1ccc(n1)C(F)(F)F)CS(=O)(=O)Cc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L14 compound treatment 0.249 0.00365 0.18 0.251 0.00826 0.45 0.4475 0.9183 1637018 Maybridge3_001664 OC(=O)c1ccccc1C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L15 compound treatment 0.262 0.0166 0.82 0.256 0.0133 0.73 1.0952 0.9981 2076107 Maybridge3_001665 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)n3ccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L16 compound treatment 0.254 0.00865 0.43 0.259 0.0163 0.89 0.9322 0.9432 1618581 Maybridge3_001666 OC(=O)c1ccccc1C(=O)N(Cc2ccccn2)Cc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L17 compound treatment 0.263 0.0176 0.87 0.26 0.0173 0.95 1.2852 0.9992 1121542 Maybridge3_001667 CC(C)(C)c1ccc(cc1)c2nc(O)c(CC(=O)O)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L18 compound treatment 0.257 0.0116 0.58 0.25 0.00726 0.4 0.688 0.9838 1234490 Maybridge3_001668 O=S(=O)(NCc1cccs1)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L19 compound treatment 0.261 0.0156 0.77 0.261 0.0183 1.0 1.2542 0.9918 2076108 Maybridge3_001669 CCOC(=O)c1cc2c(nccc2nc1C(F)(F)F)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L20 compound treatment 0.279 0.0336 1.66 0.278 0.0353 1.93 2.5418 0.9972 2076109 Maybridge3_001670 CN(C)c1ccc(cc1)n2nnnc2SCc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L21 compound treatment 0.255 0.00965 0.48 0.251 0.00826 0.45 0.657 0.9997 1433643 Maybridge3_001671 COc1ccc(C2OCCCO2)c(Cl)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L22 compound treatment 0.254 0.00865 0.43 0.251 0.00826 0.45 0.622 0.9996 1149235 Maybridge3_001672 Cn1nc(NC(=O)C2CCC2C(=O)O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L23 mock treatment 0.254 0.00865 0.43 0.253 0.0103 0.56 0.6996 0.9907 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 L24 mock treatment 0.245 -3.55E-4 -0.02 0.245 0.00226 0.12 0.0752 0.601 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M01 compound treatment 0.23 -0.0154 -0.76 0.224 -0.0187 -1.03 -1.2628 -0.9888 2076110 Maybridge3_001673 COC(=O)c1sc(cc1NC(=O)C(F)(F)F)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M02 compound treatment 0.249 0.00365 0.18 0.246 0.00326 0.18 0.2536 1.0 1338598 Maybridge3_001674 CCOC(=O)c1cc(CC)sc1NC(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M03 compound treatment 0.245 -3.55E-4 -0.02 0.251 0.00826 0.45 0.3078 0.6792 2076111 Maybridge3_001675 CCOC(=O)c1cn(nc1C(F)(F)F)C(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M04 compound treatment 0.252 0.00665 0.33 0.253 0.0103 0.56 0.6297 0.9671 2076112 Maybridge3_001676 COC(=O)c1cnc(N)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M05 compound treatment 0.265 0.0196 0.97 0.26 0.0173 0.95 1.3551 0.9999 2076113 Maybridge3_001677 Cc1ccc(SC(=O)N/C=C/c2ccsc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M06 compound treatment 0.252 0.00665 0.33 0.259 0.0163 0.89 0.8624 0.9078 2076114 Maybridge3_001678 CCN(CC)c1ncnc2sccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M07 compound treatment 0.249 0.00365 0.18 0.247 0.00426 0.23 0.2924 0.9917 2076115 Maybridge3_001679 COC(=O)c1sccc1N2C(=O)C=CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M08 compound treatment 0.257 0.0116 0.58 0.259 0.0163 0.89 1.037 0.9775 1257717 Maybridge3_001680 O=C(N1CCN(CC1)c2ncnc3sccc23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M09 compound treatment 0.253 0.00765 0.38 0.255 0.0123 0.67 0.7422 0.9628 2076116 Maybridge3_001681 CCOC(=O)c1c(O)c2scc(C)c2[nH]c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M10 compound treatment 0.254 0.00865 0.43 0.252 0.00926 0.51 0.6608 0.9963 2076117 Maybridge3_001682 Nc1ncc(C(=O)OCC2CC2)c(n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M11 compound treatment 0.261 0.0156 0.77 0.259 0.0163 0.89 1.1766 0.9975 2076118 Maybridge3_001683 CSC(=CC(=O)c1ccccc1F)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M12 compound treatment 0.255 0.00965 0.48 0.256 0.0133 0.73 0.8508 0.979 1271347 Maybridge3_001684 COC(=O)c1cc(OC)c(OC)cc1NC(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M13 compound treatment 0.275 0.0296 1.46 0.263 0.0203 1.11 1.8206 0.9907 1448183 Maybridge3_001685 Clc1ccc(cc1)c2noc(n2)C3CCc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M14 compound treatment 0.254 0.00865 0.43 0.254 0.0113 0.62 0.7384 0.9838 1309130 Maybridge3_001686 COC(=O)c1sccc1Oc2ccc(Cl)cc2N3C(=O)CCC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M15 compound treatment 0.281 0.0356 1.76 0.267 0.0243 1.33 2.1852 0.9905 2076119 Maybridge3_001687 CC1=CC(=O)N(C1=O)c2nc(cs2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M16 compound treatment 0.255 0.00965 0.48 0.252 0.00926 0.51 0.6957 0.9995 2076120 Maybridge3_001688 Cn1ncc(Br)c1NC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M17 compound treatment 0.274 0.0286 1.41 0.275 0.0323 1.77 2.2509 0.9939 2076121 Maybridge3_001689 Fc1ccc(NC(=O)Cn2nnc(n2)c3cccc(c3)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M18 compound treatment 0.253 0.00765 0.38 0.259 0.0163 0.89 0.8973 0.9269 1291220 Maybridge3_001690 CCOC(=O)c1c(sc2CCCCc12)N3C(=O)CSCC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M19 compound treatment 0.253 0.00765 0.38 0.248 0.00526 0.29 0.4708 0.9911 1702797 Maybridge3_001691 CCCCc1c(O)nc(N)nc1COC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M20 compound treatment 0.25 0.00465 0.23 0.247 0.00426 0.23 0.3273 1.0 1470799 Maybridge3_001692 COc1cc2ncnc(NC(C)C)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M21 compound treatment 0.249 0.00365 0.18 0.249 0.00626 0.34 0.3699 0.9547 2076122 Maybridge3_001693 Cc1cscc1NC(=O)/C=C/C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M22 compound treatment 0.255 0.00965 0.48 0.252 0.00926 0.51 0.6957 0.9995 1351569 Maybridge3_001694 Cn1ncc2c(ncnc12)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M23 mock treatment 0.251 0.00565 0.28 0.248 0.00526 0.29 0.401 0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 M24 mock treatment 0.237 -0.00835 -0.41 0.245 0.00226 0.12 -0.2042 -0.474 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N01 compound treatment 0.222 -0.0234 -1.15 0.231 -0.0117 -0.64 -1.2707 -0.9621 2076123 Maybridge3_001695 Cn1ncc2c(Sc3cccc4ccccc34)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N02 compound treatment 0.248 0.00265 0.13 0.246 0.00326 0.18 0.2187 0.9882 1372800 Maybridge3_001696 OC(=O)CSCC(=O)Nc1ccccc1N2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N03 compound treatment 0.248 0.00265 0.13 0.245 0.00226 0.12 0.1799 0.9996 2076124 Maybridge3_001697 Cn1ncc(C(=O)Nc2cccc(F)c2)c1n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N04 compound treatment 0.246 6.45E-4 0.03 0.248 0.00526 0.29 0.2264 0.7805 1537276 Maybridge3_001698 COc1ccc(cc1OC)C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N05 compound treatment 0.287 0.0416 2.06 0.296 0.0533 2.92 3.519 0.9853 2076125 Maybridge3_001699 COC(=O)c1sc(cc1NS(=O)(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N06 compound treatment 0.261 0.0156 0.77 0.263 0.0203 1.11 1.3317 0.9843 1552044 Maybridge3_001700 CN(C(=O)C1CCC1C(=O)O)c2nc(cs2)c3ccc(Cl)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N07 compound treatment 0.248 0.00265 0.13 0.251 0.00826 0.45 0.4125 0.8754 2076126 Maybridge3_001701 OC(=O)CSCC(=O)Nc1sccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N08 compound treatment 0.249 0.00365 0.18 0.25 0.00726 0.4 0.4087 0.9357 1694976 Maybridge3_001702 Fc1ccc(cc1)n2ncc(C#N)c2NC(=O)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N09 compound treatment 0.25 0.00465 0.23 0.251 0.00826 0.45 0.4824 0.9503 2076127 Maybridge3_001703 FC(F)(F)c1ccn(n1)C(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N10 compound treatment 0.277 0.0316 1.56 0.272 0.0293 1.6 2.2393 0.9999 1140461 Maybridge3_001704 Cc1oc(cc1C(=O)Nc2ccc(F)cc2)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N11 compound treatment 0.274 0.0286 1.41 0.268 0.0253 1.38 1.9795 0.9999 2076128 Maybridge3_001705 FC(F)(F)c1ccnc(NCCNc2nccc(n2)C(F)(F)F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N12 compound treatment 0.252 0.00665 0.33 0.247 0.00426 0.23 0.3971 0.9861 1385405 Maybridge3_001706 OC(=O)c1sccc1S(=O)(=O)Nc2ccccc2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N13 compound treatment 0.248 0.00265 0.13 0.251 0.00826 0.45 0.4125 0.8754 2076129 Maybridge3_001707 OC(Cn1ccc(n1)C(F)(F)F)CS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N14 compound treatment 0.27 0.0246 1.22 0.266 0.0233 1.28 1.7623 0.9997 2076130 Maybridge3_001708 CCCCC(=O)NCc1nc(no1)c2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N15 compound treatment 0.244 -0.00135 -0.07 0.248 0.00526 0.29 0.1565 0.529 2076131 Maybridge3_001709 FC(F)(F)c1ccn(n1)c2ccc(cc2)N3C(=O)C=CC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N16 compound treatment 0.253 0.00765 0.38 0.258 0.0153 0.84 0.8585 0.9354 1191493 Maybridge3_001710 OC(CNCc1cccs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N17 compound treatment 0.259 0.0136 0.67 0.258 0.0153 0.84 1.068 0.9942 2076132 Maybridge3_001711 OC(=O)Cc1sc(nc1O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N18 compound treatment 0.249 0.00365 0.18 0.252 0.00926 0.51 0.4862 0.9028 1177132 Maybridge3_001712 O=C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N19 compound treatment 0.291 0.0456 2.25 0.3 0.0573 3.14 3.8138 0.9868 2076133 Maybridge3_001713 N1C(c2cccs2)c3cccn3-c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N20 compound treatment 0.253 0.00765 0.38 0.248 0.00526 0.29 0.4708 0.9911 2076134 Maybridge3_001714 CN(C)c1ccc(cc1)n2nnnc2SCC(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N21 compound treatment 0.268 0.0226 1.12 0.267 0.0243 1.33 1.7312 0.9963 1625027 Maybridge3_001715 Cc1cc(N2CCN(CC2)S(=O)(=O)c3ccccc3)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N22 compound treatment 0.252 0.00665 0.33 0.249 0.00626 0.34 0.4747 0.9998 2076135 Maybridge3_001716 Cn1nc(c(c1NC(=O)C2CCC2C(=O)O)c3ccc(Br)cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N23 mock treatment 0.252 0.00665 0.33 0.247 0.00426 0.23 0.3971 0.9861 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 N24 mock treatment 0.247 0.00165 0.08 0.243 2.58E-4 0.01 0.0675 0.8179 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O01 compound treatment 0.22 -0.0254 -1.25 0.216 -0.0267 -1.47 -1.9221 -0.9969 2076136 Maybridge3_001717 N/C(=N\O)/Cc1nc2ccccc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O02 compound treatment 0.251 0.00565 0.28 0.247 0.00426 0.23 0.3622 0.9961 1427339 Maybridge3_001718 Cc1csc2c(ncnc12)N3CCN(CC3)C(=O)c4ccc(C)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O03 compound treatment 0.244 -0.00135 -0.07 0.24 -0.00274 -0.15 -0.1536 -0.9335 2076137 Maybridge3_001719 CCOC(=O)CC(=O)c1sc(SC)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O04 compound treatment 0.249 0.00365 0.18 0.247 0.00426 0.23 0.2924 0.9917 1160544 Maybridge3_001720 COC(=O)C1=C(N)CC(S1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O05 compound treatment 0.251 0.00565 0.28 0.252 0.00926 0.51 0.5561 0.9602 1383651 Maybridge3_001721 CCOC(=O)CC(=O)Nc1ccn[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O06 compound treatment 0.249 0.00365 0.18 0.254 0.0113 0.62 0.5638 0.8768 2076138 Maybridge3_001722 C=CCNc1ncnc2sccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O07 compound treatment 0.268 0.0226 1.12 0.26 0.0173 0.95 1.4598 0.9965 2076139 Maybridge3_001723 CCOC(=O)c1sc2ncccc2c1NC(=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O08 compound treatment 0.253 0.00765 0.38 0.25 0.00726 0.4 0.5484 0.9997 1694803 Maybridge3_001724 O=S(=O)(N1CCN(CC1)c2ncnc3sccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O09 compound treatment 0.255 0.00965 0.48 0.251 0.00826 0.45 0.657 0.9997 2076140 Maybridge3_001725 FC(F)(F)c1c(cnn1c2ccccc2)C(=O)Sc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O10 compound treatment 0.267 0.0216 1.07 0.256 0.0133 0.73 1.2698 0.9824 2076141 Maybridge3_001726 Nc1ncc(C(=O)OCc2ccc(Cl)cc2)c(n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O11 compound treatment 0.243 -0.00235 -0.12 0.242 -7.42E-4 -0.04 -0.111 -0.9009 2076142 Maybridge3_001727 FC(F)(F)c1c(cnn1c2ccc(Cl)cc2)C(=O)NCCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O12 compound treatment 0.245 -3.55E-4 -0.02 0.249 0.00626 0.34 0.2302 0.6701 2076143 Maybridge3_001728 CCOC(=O)c1cc(=O)c2ccccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O13 compound treatment 0.246 6.45E-4 0.03 0.252 0.00926 0.51 0.3815 0.75 2076144 Maybridge3_001729 COC(=O)c1sccc1OC(=O)c2ccc(cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O14 compound treatment 0.25 0.00465 0.23 0.249 0.00626 0.34 0.4048 0.9808 2076145 Maybridge3_001730 CC(C)(C)c1cc2nc[nH]c(=O)c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O15 compound treatment 0.253 0.00765 0.38 0.251 0.00826 0.45 0.5871 0.9959 2076146 Maybridge3_001731 FC(F)(F)c1nc(ncc1C(=O)OCC2CC2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O16 compound treatment 0.211 -0.0344 -1.7 0.217 -0.0257 -1.41 -2.1976 -0.9958 1524766 Maybridge3_001732 COc1cc2ncnc(N3CC(C)OC(C)C3)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O17 compound treatment 0.243 -0.00235 -0.12 0.243 2.58E-4 0.01 -0.0722 -0.6165 1276781 Maybridge3_001733 Cc1csc2ncnc(N3CCCCC3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O18 compound treatment 0.248 0.00265 0.13 0.252 0.00926 0.51 0.4513 0.861 1122358 Maybridge3_001734 CCOC(=O)c1c(sc2CCCCc12)N3C(=O)CCC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O19 compound treatment 0.245 -3.55E-4 -0.02 0.247 0.00426 0.23 0.1527 0.6522 2076147 Maybridge3_001735 CCCCc1c(O)nc(O)nc1COC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O20 compound treatment 0.252 0.00665 0.33 0.246 0.00326 0.18 0.3584 0.9591 1624552 Maybridge3_001736 Cn1nccc1NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O21 compound treatment 0.252 0.00665 0.33 0.237 -0.00574 -0.31 0.0094 0.0207 2076148 Maybridge3_001737 CCOc1ccsc1C(=O)Nc2ccc(OC(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O22 compound treatment 0.257 0.0116 0.58 0.239 -0.00374 -0.21 0.2615 0.4284 2076149 Maybridge3_001738 Cn1ncc2c(Sc3ccc(Cl)cc3)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O23 mock treatment 0.263 0.0176 0.87 0.246 0.00326 0.18 0.7424 0.8347 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 O24 mock treatment 0.234 -0.0114 -0.56 0.22 -0.0227 -1.25 -1.2782 -0.9349 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P01 compound treatment 0.196 -0.0494 -2.44 0.183 -0.0597 -3.28 -4.0396 -0.9894 1201331 Maybridge3_001739 Cn1ncc2c(ncnc12)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P02 compound treatment 0.212 -0.0334 -1.65 0.219 -0.0237 -1.3 -2.0852 -0.9932 1397158 Maybridge3_001740 Fc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3coc4ccccc4c3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P03 compound treatment 0.237 -0.00835 -0.41 0.237 -0.00574 -0.31 -0.5144 -0.9911 1182615 Maybridge3_001741 CC(C)(C)c1cc2ncnc(N3CCSCC3)c2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P04 compound treatment 0.237 -0.00835 -0.41 0.237 -0.00574 -0.31 -0.5144 -0.9911 1476206 Maybridge3_001742 OC1(CCN(CC1)S(=O)(=O)c2cccc(Cl)c2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P05 compound treatment 0.234 -0.0114 -0.56 0.244 0.00126 0.07 -0.3477 -0.6155 1165694 Maybridge3_001743 COC(=O)c1sc(cc1NC(=O)c2ccco2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P06 compound treatment 0.234 -0.0114 -0.56 0.228 -0.0147 -0.81 -0.968 -0.984 1164946 Maybridge3_001744 OC(=O)C1CCC1C(=O)Nc2nc(cs2)c3ccc(Cl)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P07 compound treatment 0.244 -0.00135 -0.07 0.241 -0.00174 -0.1 -0.1148 -0.9848 2076150 Maybridge3_001745 Clc1ccc(Cl)c(Sc2ncnc3ccsc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P08 compound treatment 0.25 0.00465 0.23 0.242 -7.42E-4 -0.04 0.1334 0.5728 1230202 Maybridge3_001746 CC(C)Cc1ccc(cc1)C(C)C(=O)Nc2nn(C)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P09 compound treatment 0.235 -0.0104 -0.51 0.226 -0.0167 -0.92 -1.0107 -0.9618 2076151 Maybridge3_001747 FC(F)(F)c1ccn(n1)C(=O)Nc2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P10 compound treatment 0.245 -3.55E-4 -0.02 0.245 0.00226 0.12 0.0752 0.601 2076152 Maybridge3_001748 COC(=O)c1scc(C)c1NC(=O)C2=Cc3cc(Cl)ccc3OC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P11 compound treatment 0.237 -0.00835 -0.41 0.234 -0.00874 -0.48 -0.6307 -0.9972 2076153 Maybridge3_001749 FC(F)(F)c1ccnc(NCCNc2ncccc2C(F)(F)F)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P12 compound treatment 0.231 -0.0144 -0.71 0.239 -0.00374 -0.21 -0.6463 -0.8758 2076154 Maybridge3_001750 FC(F)(F)Oc1ccc(cc1)C(=O)c2ncc[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P13 compound treatment 0.239 -0.00635 -0.31 0.223 -0.0197 -1.08 -0.9873 -0.876 2076155 Maybridge3_001751 OC(=O)/C=C/C(=O)Nc1ccccc1Sc2nccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P14 compound treatment 0.245 -3.55E-4 -0.02 0.243 2.58E-4 0.01 -0.0024 -0.1059 2076156 Maybridge3_001752 FC(F)(F)c1ccc(cc1)c2noc(CNC(=O)C3CCCCC3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P15 compound treatment 0.226 -0.0194 -0.96 0.229 -0.0137 -0.75 -1.2086 -0.9931 1518767 Maybridge3_001753 CCS(=O)(=O)N1CCN(CC1)c2nc(ns2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P16 compound treatment 0.247 0.00165 0.08 0.241 -0.00174 -0.1 -0.0101 -0.0805 1412363 Maybridge3_001754 OC(CNC1Cc2ccccc2C1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P17 compound treatment 0.245 -3.55E-4 -0.02 0.234 -0.00874 -0.48 -0.3513 -0.7325 1517339 Maybridge3_001755 O=c1[nH]cnc2scc(c3cccs3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P18 compound treatment 0.237 -0.00835 -0.41 0.236 -0.00674 -0.37 -0.5531 -0.9985 1228556 Maybridge3_001756 CC(C)(C)C(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P19 compound treatment 0.258 0.0126 0.62 0.249 0.00626 0.34 0.6842 0.9602 2076157 Maybridge3_001757 Clc1ccc(cc1)C2Nc3ccccc3-n4cccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P20 compound treatment 0.25 0.00465 0.23 0.264 0.0213 1.17 0.9864 0.8303 1490734 Maybridge3_001758 OC(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Oc4ccc(Cl)c(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P21 compound treatment 0.274 0.0286 1.41 0.279 0.0363 1.99 2.406 0.9861 2076158 Maybridge3_001759 Clc1ccc(s1)c2csc(n2)c3ccno3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P22 compound treatment 0.236 -0.00935 -0.46 0.246 0.00326 0.18 -0.2003 -0.4045 1486095 Maybridge3_001760 Cn1nc(NC(=O)CC(C)(C)CC(=O)O)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P23 mock treatment 0.243 -0.00235 -0.12 0.227 -0.0157 -0.86 -0.6925 -0.7952 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1435 P24 mock treatment 0.221 -0.0244 -1.2 0.213 -0.0297 -1.63 -2.0035 -0.9888 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A01 compound treatment 0.193 -0.0491 -2.42 0.194 -0.046 -2.52 -3.498 -0.9998 2076159 Maybridge3_001761 COc1ccc2[nH]c(cc2c1)C(=O)N3CCCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A02 compound treatment 0.181 -0.0611 -3.02 0.193 -0.047 -2.58 -3.9558 -0.997 1289168 Maybridge3_001762 CC(=O)Nc1nc2ccccc2c(=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A03 compound treatment 0.215 -0.0271 -1.34 0.221 -0.019 -1.04 -1.683 -0.9925 1144978 Maybridge3_001763 COC(=O)Cc1nc(NS(=O)(=O)c2cccc(C)c2)sc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A04 compound treatment 0.199 -0.0431 -2.13 0.203 -0.037 -2.03 -2.9395 -0.9997 2076160 Maybridge3_001764 NC(=O)c1ccc(cc1)c2ccnc(n2)c3ccc(Br)s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A05 compound treatment 0.184 -0.0581 -2.87 0.194 -0.046 -2.52 -3.8122 -0.998 2076161 Maybridge3_001765 OC(COc1ccccc1)CN2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A06 compound treatment 0.203 -0.0391 -1.93 0.204 -0.036 -1.98 -2.7611 -0.9999 1121453 Maybridge3_001766 OC(=O)CSCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A07 compound treatment 0.205 -0.0371 -1.83 0.221 -0.019 -1.04 -2.0321 -0.9645 2076162 Maybridge3_001767 Cc1ccc(Sc2ncccc2c3nnc(o3)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A08 compound treatment 0.211 -0.0311 -1.53 0.218 -0.022 -1.21 -1.939 -0.993 1652052 Maybridge3_001768 Cn1c(ccc1S(=O)(=O)N2CCCCCC2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A09 compound treatment 0.234 -0.00806 -0.4 0.242 0.00197 0.11 -0.2053 -0.4977 2076163 Maybridge3_001769 COc1ccc2[nH]c(cc2c1)C(=O)NCCCn3ccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A10 compound treatment 0.211 -0.0311 -1.53 0.228 -0.012 -0.66 -1.5512 -0.929 1285449 Maybridge3_001770 O=C(CSc1nc(ns1)c2ccccc2)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A11 compound treatment 0.21 -0.0321 -1.58 0.234 -0.00603 -0.33 -1.3535 -0.8368 1203346 Maybridge3_001771 COc1ccc2[nH]c(cc2c1)C(=O)N3CCCN(CC3)C(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A12 compound treatment 0.232 -0.0101 -0.5 0.232 -0.00803 -0.44 -0.6629 -0.9982 1320215 Maybridge3_001772 CC(C)(CC(=O)O)CC(=O)N1CCCN(CC1)c2nc3ccc(Cl)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A13 compound treatment 0.223 -0.0191 -0.94 0.215 -0.025 -1.37 -1.6362 -0.9831 1669794 Maybridge3_001773 COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A14 compound treatment 0.23 -0.0121 -0.6 0.213 -0.027 -1.48 -1.4694 -0.9198 1356787 Maybridge3_001774 Cc1nc(cs1)C(=O)NC2(O)C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A15 compound treatment 0.22 -0.0221 -1.09 0.217 -0.023 -1.26 -1.6635 -0.9973 1151767 Maybridge3_001775 Clc1ccc2nc(sc2c1)N3CCN(CC3)S(=O)(=O)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A16 compound treatment 0.224 -0.0181 -0.89 0.233 -0.00703 -0.39 -0.9035 -0.9296 2076164 Maybridge3_001776 Cc1cc(ccc1NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A17 compound treatment 0.218 -0.0241 -1.19 0.224 -0.016 -0.88 -1.4619 -0.989 2076165 Maybridge3_001777 OC(CN1CCN(CC1)c2ccc(cn2)C(F)(F)F)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A18 compound treatment 0.218 -0.0241 -1.19 0.215 -0.025 -1.37 -1.8108 -0.9974 2076166 Maybridge3_001778 CCOC(=O)c1cnc(SCC(=O)c2cc(Cl)c(Cl)s2)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A19 compound treatment 0.214 -0.0281 -1.39 0.233 -0.00703 -0.39 -1.2526 -0.8708 1395572 Maybridge3_001779 Clc1cc(Cl)cc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A20 compound treatment 0.223 -0.0191 -0.94 0.218 -0.022 -1.21 -1.5199 -0.9924 1238504 Maybridge3_001780 OC(=O)c1nccnc1C(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A21 compound treatment 0.229 -0.0131 -0.65 0.225 -0.015 -0.82 -1.039 -0.9927 1149541 Maybridge3_001781 Cc1ncc(CN2CCSCC2)c(CO)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A22 compound treatment 0.197 -0.0451 -2.23 0.212 -0.028 -1.54 -2.6604 -0.9837 1510125 Maybridge3_001782 COC(=O)c1sccc1NS(=O)(=O)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A23 mock treatment 0.212 -0.0301 -1.48 0.208 -0.032 -1.76 -2.2917 -0.9965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 A24 mock treatment 0.198 -0.0441 -2.18 0.185 -0.055 -3.02 -3.6723 -0.9871 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B01 compound treatment 0.243 9.35E-4 0.05 0.24 -3.33E-5 0.0 0.0314 0.6786 1709094 Maybridge3_001783 Cc1cn(CCC(=O)NC2Cc3ccccc3C2)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B02 compound treatment 0.252 0.00994 0.49 0.249 0.00897 0.49 0.6946 1.0 1425253 Maybridge3_001784 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3c[nH]c(C)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B03 compound treatment 0.257 0.0149 0.74 0.252 0.012 0.66 0.9855 0.9983 1224476 Maybridge3_001785 O=C(NC1CCN(CC1)C(=O)c2cccnc2Oc3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B04 compound treatment 0.255 0.0129 0.64 0.246 0.00597 0.33 0.683 0.9517 1610684 Maybridge3_001786 Cc1nnsc1C(=O)NCc2cc(F)cc3COCOc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B05 compound treatment 0.26 0.0179 0.89 0.255 0.015 0.82 1.2065 0.9993 1445089 Maybridge3_001787 Cc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B06 compound treatment 0.252 0.00994 0.49 0.249 0.00897 0.49 0.6946 1.0 2076167 Maybridge3_001788 OC(=O)COCC(=O)Nc1ccccc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B07 compound treatment 0.26 0.0179 0.89 0.255 0.015 0.82 1.2065 0.9993 2076168 Maybridge3_001789 Clc1ccc(Oc2nc(ns2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B08 compound treatment 0.261 0.0189 0.94 0.257 0.017 0.93 1.319 1.0 2076169 Maybridge3_001790 Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B09 compound treatment 0.257 0.0149 0.74 0.255 0.015 0.82 1.1018 0.9986 1569106 Maybridge3_001791 Cc1c(cnn1c2ccc(F)cc2)C(=O)N3CCCc4cc(C)ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B10 compound treatment 0.277 0.0349 1.73 0.271 0.031 1.7 2.4205 1.0 1355709 Maybridge3_001792 CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(C)on3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B11 compound treatment 0.252 0.00994 0.49 0.252 0.012 0.66 0.8109 0.9897 1422958 Maybridge3_001793 Cn1cc(Br)c(n1)c2cccc(NC(=O)CCC(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B12 compound treatment 0.251 0.00894 0.44 0.252 0.012 0.66 0.776 0.9814 1357606 Maybridge3_001794 COC(=O)C1=C(C)NC2=C(C1c3cn[nH]c3)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B13 compound treatment 0.265 0.0229 1.13 0.255 0.015 0.82 1.3811 0.9875 1462525 Maybridge3_001795 O=S(=O)(NC1CCS(=O)(=O)C1)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B14 compound treatment 0.252 0.00994 0.49 0.249 0.00897 0.49 0.6946 1.0 2076170 Maybridge3_001796 Cc1nc(ccc1C(=O)NCc2ccc3OCOc3c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B15 compound treatment 0.253 0.0109 0.54 0.253 0.013 0.71 0.8846 0.9908 1690637 Maybridge3_001797 OC(=O)CSCC(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B16 compound treatment 0.259 0.0169 0.84 0.256 0.016 0.88 1.2104 0.9997 1619255 Maybridge3_001798 O=C(Oc1ccccc1N2CCOCC2)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B17 compound treatment 0.262 0.0199 0.98 0.258 0.018 0.99 1.3927 1.0 2076171 Maybridge3_001799 Cc1noc(C)c1C(=O)Nc2ccc3COC(=O)c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B18 compound treatment 0.252 0.00994 0.49 0.25 0.00997 0.55 0.7333 0.9986 1136648 Maybridge3_001800 CCCc1c(cnn1c2ccccc2)C(=O)N3CCN(CC3)c4ccccc4OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B19 compound treatment 0.241 -0.00106 -0.05 0.243 0.00297 0.16 0.0778 0.4554 2076172 Maybridge3_001801 CCCc1cc(=O)n2nc(c(c3ccccc3)c2[nH]1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B20 compound treatment 0.245 0.00294 0.14 0.244 0.00397 0.22 0.2563 0.9806 2076173 Maybridge3_001802 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(o3)c4ccc(OC(F)(F)F)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B21 compound treatment 0.263 0.0209 1.03 0.262 0.022 1.2 1.5827 0.9971 1174886 Maybridge3_001803 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)COCC(=O)O)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B22 compound treatment 0.248 0.00594 0.29 0.246 0.00597 0.33 0.4386 0.9985 1411197 Maybridge3_001804 Clc1cc(c(Cl)s1)S(=O)(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B23 mock treatment 0.248 0.00594 0.29 0.243 0.00297 0.16 0.3223 0.9614 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 B24 mock treatment 0.234 -0.00806 -0.4 0.225 -0.015 -0.82 -0.8644 -0.9443 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C01 compound treatment 0.207 -0.0351 -1.73 0.22 -0.02 -1.1 -2.0011 -0.9759 2076174 Maybridge3_001805 COc1ccc2[nH]c(cc2c1)C(=O)N(Cc3ccccn3)Cc4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C02 compound treatment 0.24 -0.00206 -0.1 0.237 -0.00303 -0.17 -0.1897 -0.9724 1138190 Maybridge3_001806 COc1cc2nc(NC(=O)C)sc(=O)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C03 compound treatment 0.244 0.00194 0.1 0.245 0.00497 0.27 0.2601 0.9014 1308981 Maybridge3_001807 Cc1cc(OCC(=O)Nc2ccc3OCOc3c2)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C04 compound treatment 0.244 0.00194 0.1 0.242 0.00197 0.11 0.1438 0.9982 1454586 Maybridge3_001808 COc1ccc(cc1)c2ccnc(n2)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C05 compound treatment 0.268 0.0259 1.28 0.238 -0.00203 -0.11 0.8268 0.6431 2076175 Maybridge3_001809 Oc1ccc(cc1)n2nnnc2SC3Cc4ccccc4C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C06 compound treatment 0.243 9.35E-4 0.05 0.241 9.67E-4 0.05 0.0701 0.9977 1414963 Maybridge3_001810 CC(C)(CC(=O)O)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C07 compound treatment 0.243 9.35E-4 0.05 0.241 9.67E-4 0.05 0.0701 0.9977 2076176 Maybridge3_001811 COC(=O)c1sccc1NS(=O)(=O)c2cc(Cl)cc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C08 compound treatment 0.305 0.0629 3.11 0.295 0.055 3.01 4.3287 0.9999 1566340 Maybridge3_001812 OC1(CCN(CC1)C(=O)c2cc3ccccc3s2)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C09 compound treatment 0.252 0.00994 0.49 0.248 0.00797 0.44 0.6558 0.9983 1181008 Maybridge3_001813 COc1ccc2[nH]c(cc2c1)C(=O)NC3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C10 compound treatment 0.25 0.00794 0.39 0.249 0.00897 0.49 0.6247 0.9937 1144529 Maybridge3_001814 O=S(=O)(N1CCN(CCc2ccccc2)CC1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C11 compound treatment 0.242 -6.45E-5 0.0 0.241 9.67E-4 0.05 0.0352 0.6634 1638350 Maybridge3_001815 NC(=O)C1CCN(CC(O)COc2ccc(Br)cc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C12 compound treatment 0.246 0.00394 0.19 0.248 0.00797 0.44 0.4463 0.9335 1402740 Maybridge3_001816 CSc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C13 compound treatment 0.249 0.00694 0.34 0.246 0.00597 0.33 0.4735 0.9997 1301094 Maybridge3_001817 COc1ccccc1N2CCN(CC2)C(=O)C(C)Oc3ccnc4c(C)ccc(C)c34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C14 compound treatment 0.241 -0.00106 -0.05 0.238 -0.00203 -0.11 -0.116 -0.9411 2076177 Maybridge3_001818 Cc1cc(C)c(c(C)c1)n2nnnc2SC3Cc4ccccc4C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C15 compound treatment 0.244 0.00194 0.1 0.241 9.67E-4 0.05 0.1051 0.9613 1406744 Maybridge3_001819 O=C(Nc1nc2ccsc2c(=O)s1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C16 compound treatment 0.245 0.00294 0.14 0.247 0.00697 0.38 0.3726 0.912 1243460 Maybridge3_001820 Cc1cc(ccc1NC(=O)COCC(=O)O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C17 compound treatment 0.246 0.00394 0.19 0.246 0.00597 0.33 0.3687 0.9691 2076178 Maybridge3_001821 OC(CN1CCN(CC1)c2ccc(cn2)C(F)(F)F)c3cc(no3)c4cc(Cl)cc(Cl)c4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C18 compound treatment 0.252 0.00994 0.49 0.251 0.011 0.6 0.7721 0.9949 2076179 Maybridge3_001822 CCOC(=O)c1cnc(SCc2ccc(Cl)cc2)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C19 compound treatment 0.24 -0.00206 -0.1 0.241 9.67E-4 0.05 -0.0346 -0.3012 2076180 Maybridge3_001823 CC(C)(CC(=O)O)CC(=O)N1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C20 compound treatment 0.24 -0.00206 -0.1 0.241 9.67E-4 0.05 -0.0346 -0.3012 2076181 Maybridge3_001824 O=C(c1cccs1)c2ncc[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C21 compound treatment 0.266 0.0239 1.18 0.246 0.00597 0.33 1.0671 0.8701 2076182 Maybridge3_001825 c1csc(c1)c2ccnc3cc(nn23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C22 compound treatment 0.241 -0.00106 -0.05 0.237 -0.00303 -0.17 -0.1548 -0.8873 1255364 Maybridge3_001826 Cc1ccnc(NS(=O)(=O)c2ccc3OCCc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C23 mock treatment 0.235 -0.00706 -0.35 0.233 -0.00703 -0.39 -0.5194 -0.9987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 C24 mock treatment 0.223 -0.0191 -0.94 0.233 -0.00703 -0.39 -0.9384 -0.9224 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D01 compound treatment 0.241 -0.00106 -0.05 0.24 -3.33E-5 0.0 -0.0385 -0.7312 2076183 Maybridge3_001827 COC(=O)Cc1nc(sc1C)c2ccc(s2)c3ccon3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D02 compound treatment 0.246 0.00394 0.19 0.246 0.00597 0.33 0.3687 0.9691 1328413 Maybridge3_001828 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3c[nH]cn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D03 compound treatment 0.247 0.00494 0.24 0.249 0.00897 0.49 0.52 0.9476 1623316 Maybridge3_001829 Cc1cnc(cn1)C(=O)NCc2c(Cl)cccc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D04 compound treatment 0.248 0.00594 0.29 0.252 0.012 0.66 0.6712 0.934 1437927 Maybridge3_001830 Cc1noc(C)c1C(=O)NCc2cc(F)cc3COCOc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D05 compound treatment 0.257 0.0149 0.74 0.257 0.017 0.93 1.1793 0.9934 1132631 Maybridge3_001831 Clc1ccc(c(Cl)c1)S(=O)(=O)CCN2CCN(CC2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D06 compound treatment 0.25 0.00794 0.39 0.249 0.00897 0.49 0.6247 0.9937 1637108 Maybridge3_001832 CC(C)(C)c1ccc(cc1)c2nc(=O)c3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D07 compound treatment 0.259 0.0169 0.84 0.255 0.015 0.82 1.1716 1.0 1531733 Maybridge3_001833 COc1ccc(Oc2nc(ns2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D08 compound treatment 0.256 0.0139 0.69 0.254 0.014 0.77 1.0281 0.9986 1276365 Maybridge3_001834 Cn1nc(c(NC(=O)c2cccs2)c1C(C)(C)C)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D09 compound treatment 0.251 0.00894 0.44 0.249 0.00897 0.49 0.6597 0.9985 2076184 Maybridge3_001835 Cc1c(cnn1c2ccc(F)cc2)C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D10 compound treatment 0.27 0.0279 1.38 0.263 0.023 1.26 1.8659 0.999 2076185 Maybridge3_001836 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc(cc3)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D11 compound treatment 0.249 0.00694 0.34 0.25 0.00997 0.55 0.6286 0.9747 2076186 Maybridge3_001837 Cn1cc(Br)c(n1)c2cccc(NC(=O)/C=C/C(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D12 compound treatment 0.302 0.0599 2.96 0.295 0.055 3.01 4.2239 1.0 1400578 Maybridge3_001838 COC(=O)C1=C(C)NC2=C(C1c3ccc(s3)c4cccs4)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D13 compound treatment 0.259 0.0169 0.84 0.247 0.00697 0.38 0.8615 0.937 2076187 Maybridge3_001839 Cc1onc(c1C(=O)NC2CCS(=O)(=O)C2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D14 compound treatment 0.252 0.00994 0.49 0.257 0.017 0.93 1.0047 0.9553 1283528 Maybridge3_001840 CSc1nsc(SC)c1C(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D15 compound treatment 0.249 0.00694 0.34 0.247 0.00697 0.38 0.5123 0.9985 2076188 Maybridge3_001841 OC(=O)/C=C/C(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D16 compound treatment 0.257 0.0149 0.74 0.256 0.016 0.88 1.1406 0.9964 1521021 Maybridge3_001842 NC(=O)C1CCN(Cc2nc(no2)c3cccs3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D17 compound treatment 0.258 0.0159 0.79 0.26 0.02 1.09 1.3306 0.9869 2076189 Maybridge3_001843 Cc1nnsc1C(=O)Nc2ccc3COC(=O)c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D18 compound treatment 0.238 -0.00406 -0.2 0.245 0.00497 0.27 0.0506 0.1497 1678627 Maybridge3_001844 CCCc1c(cnn1c2ccccc2)C(=O)NCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D19 compound treatment 0.246 0.00394 0.19 0.239 -0.00103 -0.06 0.0974 0.4809 2076190 Maybridge3_001845 Cc1cc(=O)n2nc(c(c3ccccc3)c2[nH]1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D20 compound treatment 0.252 0.00994 0.49 0.249 0.00897 0.49 0.6946 1.0 1208568 Maybridge3_001846 COc1cccc2n(C)nc(NS(=O)(=O)c3cc(Cl)sc3Cl)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D21 compound treatment 0.256 0.0139 0.69 0.261 0.021 1.15 1.2995 0.9699 1778654 Maybridge3_001847 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)CCCC(=O)O)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D22 compound treatment 0.252 0.00994 0.49 0.247 0.00697 0.38 0.617 0.9923 1610475 Maybridge3_001848 OCCCC(=O)Nc1ccc2OCCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D23 mock treatment 0.245 0.00294 0.14 0.247 0.00697 0.38 0.3726 0.912 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 D24 mock treatment 0.228 -0.0141 -0.69 0.239 -0.00103 -0.06 -0.5312 -0.7623 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E01 compound treatment 0.242 -6.45E-5 0.0 0.238 -0.00203 -0.11 -0.0811 -0.727 1375780 Maybridge3_001849 COc1ccc(COCC(O)CN2CCC(CC2)C(=O)N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E02 compound treatment 0.255 0.0129 0.64 0.254 0.014 0.77 0.9932 0.9959 1472811 Maybridge3_001850 CC(=O)Nc1nc2c(Br)cc(Br)cc2c(=O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E03 compound treatment 0.252 0.00994 0.49 0.251 0.011 0.6 0.7721 0.9949 1234629 Maybridge3_001851 CC1=C(C)CC(C(C1)C(=O)O)C(=O)NCc2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E04 compound treatment 0.265 0.0229 1.13 0.268 0.028 1.53 1.8851 0.9889 2076191 Maybridge3_001852 COc1ccc(cc1)c2ccnc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E05 compound treatment 0.264 0.0219 1.08 0.263 0.023 1.26 1.6564 0.9972 1267360 Maybridge3_001853 OC(CNCc1ccc2OCOc2c1)CSc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E06 compound treatment 0.251 0.00894 0.44 0.251 0.011 0.6 0.7372 0.9884 1357638 Maybridge3_001854 CC1=C(C)CC(C(C1)C(=O)O)C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E07 compound treatment 0.263 0.0209 1.03 0.257 0.017 0.93 1.3888 0.9986 2076192 Maybridge3_001855 Cc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E08 compound treatment 0.266 0.0239 1.18 0.274 0.034 1.86 2.1527 0.9759 2076193 Maybridge3_001856 Fc1ccc(cc1)C(=O)Nc2cccnc2Sc3nc4cccnc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E09 compound treatment 0.269 0.0269 1.33 0.265 0.025 1.37 1.9085 0.9999 1676542 Maybridge3_001857 CCOc1ccccc1N2CCN(CC2)C(=O)c3cc4cc(OC)ccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E10 compound treatment 0.262 0.0199 0.98 0.262 0.022 1.2 1.5478 0.995 1635945 Maybridge3_001858 Cc1ccc(cc1C)C(=O)NC2(O)C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E11 compound treatment 0.247 0.00494 0.24 0.252 0.012 0.66 0.6363 0.9091 1608144 Maybridge3_001859 NC(=O)C1CCN(CC(O)Cc2ccc3OCOc3c2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E12 compound treatment 0.254 0.0119 0.59 0.258 0.018 0.99 1.1133 0.9698 1421979 Maybridge3_001860 Cc1nn(C)c2ncc(C(=O)O)c(Sc3ccc(C)cc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E13 compound treatment 0.306 0.0639 3.16 0.282 0.042 2.3 3.8596 0.9879 2076194 Maybridge3_001861 FC(F)(F)c1cc(OCC(=O)Nc2ccc3OCOc3c2)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E14 compound treatment 0.262 0.0199 0.98 0.256 0.016 0.88 1.3151 0.9983 1573079 Maybridge3_001862 O=C(Nc1cccc(c1)c2cnco2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E15 compound treatment 0.261 0.0189 0.94 0.259 0.019 1.04 1.3965 0.9986 1196147 Maybridge3_001863 Cc1csc2c(=O)sc(NC(=O)c3ccco3)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E16 compound treatment 0.258 0.0159 0.79 0.258 0.018 0.99 1.253 0.9938 1326795 Maybridge3_001864 OC(=O)c1cccnc1SCC(=O)c2cc3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E17 compound treatment 0.259 0.0169 0.84 0.263 0.023 1.26 1.4818 0.9802 1713724 Maybridge3_001865 Cc1cc(C)c(C#N)c(OCC(=O)Nc2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E18 compound treatment 0.265 0.0229 1.13 0.265 0.025 1.37 1.7688 0.9956 2076195 Maybridge3_001866 CCOC(=O)c1cnc(SCc2cccc(c2)C(F)(F)F)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E19 compound treatment 0.26 0.0179 0.89 0.265 0.025 1.37 1.5942 0.9778 2076196 Maybridge3_001867 COC(=O)c1sc(cc1NC(=O)CSCC(=O)O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E20 compound treatment 0.25 0.00794 0.39 0.252 0.012 0.66 0.741 0.9696 1627635 Maybridge3_001868 Cn1cnc(c1)S(=O)(=O)N(Cc2cccs2)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E21 compound treatment 0.25 0.00794 0.39 0.252 0.012 0.66 0.741 0.9696 1732230 Maybridge3_001869 COC(=O)c1ccc(n1C)S(=O)(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E22 compound treatment 0.254 0.0119 0.59 0.249 0.00897 0.49 0.7644 0.9959 2076197 Maybridge3_001870 OC(=O)c1ccccc1SCCS(=O)(=O)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E23 mock treatment 0.247 0.00494 0.24 0.245 0.00497 0.27 0.3649 0.9985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 E24 mock treatment 0.244 0.00194 0.1 0.243 0.00297 0.16 0.1826 0.9679 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F01 compound treatment 0.241 -0.00106 -0.05 0.248 0.00797 0.44 0.2717 0.6176 1703071 Maybridge3_001871 O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F02 compound treatment 0.253 0.0109 0.54 0.253 0.013 0.71 0.8846 0.9908 2076198 Maybridge3_001872 Nc1nc(cc(n1)C(F)(F)F)c2ccc3OCCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F03 compound treatment 0.256 0.0139 0.69 0.255 0.015 0.82 1.0669 0.9962 2076199 Maybridge3_001873 Cc1cnc(cn1)C(=O)N2CCN(CC2)c3ccc(cn3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F04 compound treatment 0.263 0.0209 1.03 0.267 0.027 1.48 1.7765 0.9847 2076200 Maybridge3_001874 COC(=O)c1cc(c(s1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F05 compound treatment 0.254 0.0119 0.59 0.249 0.00897 0.49 0.7644 0.9959 2076201 Maybridge3_001875 CC(C)(C)C(=O)CSc1nnc(O)n1c2ccccc2C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F06 compound treatment 0.273 0.0309 1.53 0.277 0.037 2.03 2.5134 0.9903 1307137 Maybridge3_001876 COc1cc(cc(Br)c1O)c2nc(=O)c3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F07 compound treatment 0.264 0.0219 1.08 0.26 0.02 1.09 1.5401 1.0 2076202 Maybridge3_001877 S(c1nc(ns1)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F08 compound treatment 0.264 0.0219 1.08 0.258 0.018 0.99 1.4625 0.9989 1319754 Maybridge3_001878 Cn1nc(c(NC(=O)c2cccnc2)c1C(C)(C)C)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F09 compound treatment 0.261 0.0189 0.94 0.264 0.024 1.31 1.5904 0.9861 1323393 Maybridge3_001879 COC(=O)C1=C(C)NC2=C(C1c3c[nH]c4ccccc34)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F10 compound treatment 0.255 0.0129 0.64 0.249 0.00897 0.49 0.7993 0.9916 1473096 Maybridge3_001880 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc(OC)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F11 compound treatment 0.259 0.0169 0.84 0.259 0.019 1.04 1.3267 0.9942 1222443 Maybridge3_001881 Cn1cc(Br)c(n1)c2cccc(NC(=O)CC(C)(C)CC(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F12 compound treatment 0.269 0.0269 1.33 0.266 0.026 1.42 1.9473 0.9994 1194425 Maybridge3_001882 COC(=O)C1=C(C)NC2=C(C1c3ccc4CCOc4c3)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F13 compound treatment 0.265 0.0229 1.13 0.256 0.016 0.88 1.4199 0.9919 2076203 Maybridge3_001883 Cc1ccc(cc1)S(=O)(=O)CCSc2nnc(c3ccco3)n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F14 compound treatment 0.256 0.0139 0.69 0.255 0.015 0.82 1.0669 0.9962 1622129 Maybridge3_001884 O=C(NCc1ccc2OCOc2c1)c3ccsc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F15 compound treatment 0.259 0.0169 0.84 0.26 0.02 1.09 1.3655 0.9912 1352978 Maybridge3_001885 OC(=O)c1ccccc1C(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F16 compound treatment 0.258 0.0159 0.79 0.261 0.021 1.15 1.3693 0.9829 1353591 Maybridge3_001886 C(N1CCOCC1)c2nc(no2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F17 compound treatment 0.266 0.0239 1.18 0.266 0.026 1.42 1.8425 0.9957 1733397 Maybridge3_001887 O=C(Nc1ccc2COC(=O)c2c1)c3ccno3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F18 compound treatment 0.262 0.0199 0.98 0.264 0.024 1.31 1.6253 0.9899 1688160 Maybridge3_001888 CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(on3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F19 compound treatment 0.271 0.0289 1.43 0.266 0.026 1.42 2.0171 1.0 1407076 Maybridge3_001889 COC(=O)c1sccc1c2ccc(CN3CCN(CC3)c4ccccc4)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F20 compound treatment 0.277 0.0349 1.73 0.275 0.035 1.92 2.5755 0.9986 2076204 Maybridge3_001890 OC(CNC1CCc2ccccc12)COc3ccc(cc3)c4csnn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F21 compound treatment 0.258 0.0159 0.79 0.257 0.017 0.93 1.2142 0.9965 2076205 Maybridge3_001891 Cc1nc(cs1)c2ccc(NC(=O)c3ccc(nc3C)C(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F22 compound treatment 0.245 0.00294 0.14 0.247 0.00697 0.38 0.3726 0.912 2076206 Maybridge3_001892 FC(F)(F)c1ccnc(n1)N2CCCN(CC2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F23 mock treatment 0.252 0.00994 0.49 0.245 0.00497 0.27 0.5395 0.9614 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 F24 mock treatment 0.237 -0.00506 -0.25 0.246 0.00597 0.33 0.0545 0.1323 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G01 compound treatment 0.255 0.0129 0.64 0.247 0.00697 0.38 0.7218 0.9698 1398350 Maybridge3_001893 COc1ccc(COCC(O)CNC2Cc3ccccc3C2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G02 compound treatment 0.255 0.0129 0.64 0.255 0.015 0.82 1.0319 0.9923 1214137 Maybridge3_001894 O=C(Nc1nc2ccsc2c(=O)s1)C3CCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G03 compound treatment 0.246 0.00394 0.19 0.25 0.00997 0.55 0.5238 0.9032 1482663 Maybridge3_001895 CCn1nc(C)cc1C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G04 compound treatment 0.287 0.0449 2.22 0.29 0.05 2.74 3.5063 0.9945 2076207 Maybridge3_001896 CN(C)c1ccc(cc1)n2nnnc2SCC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G05 compound treatment 0.268 0.0259 1.28 0.27 0.03 1.64 2.0674 0.9924 1612539 Maybridge3_001897 OC(CSc1cccs1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G06 compound treatment 0.253 0.0109 0.54 0.255 0.015 0.82 0.9621 0.9794 1207596 Maybridge3_001898 CCOC(=O)N1CCC2(CC1)NCCc3c2[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G07 compound treatment 0.277 0.0349 1.73 0.269 0.029 1.59 2.3429 0.9991 1640320 Maybridge3_001899 COC(=O)c1sc(cc1NC(=O)CCC(=O)O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G08 compound treatment 0.259 0.0169 0.84 0.253 0.013 0.71 1.0941 0.9967 1134477 Maybridge3_001900 NC(=O)c1ccccc1OC2CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G09 compound treatment 0.266 0.0239 1.18 0.255 0.015 0.82 1.416 0.9841 2076208 Maybridge3_001901 COc1ccc2[nH]c(cc2c1)C(=O)NCCNc3cccc(n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G10 compound treatment 0.259 0.0169 0.84 0.256 0.016 0.88 1.2104 0.9997 1149075 Maybridge3_001902 COc1cscc1C(=O)NC2(O)C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G11 compound treatment 0.268 0.0259 1.28 0.263 0.023 1.26 1.796 1.0 1309051 Maybridge3_001903 OC(COc1ccc(F)cc1)CN2CCN(CC2)c3nc4ccc(Cl)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G12 compound treatment 0.26 0.0179 0.89 0.261 0.021 1.15 1.4392 0.9917 2076209 Maybridge3_001904 OC(=O)c1ccccc1C(=O)Nc2ccc(Br)c(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G13 compound treatment 0.281 0.0389 1.92 0.272 0.032 1.75 2.5989 0.9989 2076210 Maybridge3_001905 Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c3ccccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G14 compound treatment 0.266 0.0239 1.18 0.258 0.018 0.99 1.5324 0.9959 2076211 Maybridge3_001906 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cnco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G15 compound treatment 0.262 0.0199 0.98 0.281 0.041 2.25 2.2844 0.9315 1534087 Maybridge3_001907 O=C(Nc1nc2ccccc2c(=O)s1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G16 compound treatment 0.256 0.0139 0.69 0.257 0.017 0.93 1.1444 0.989 2076212 Maybridge3_001908 Cc1ccc(c(C)c1)n2nnnc2SCC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G17 compound treatment 0.263 0.0209 1.03 0.261 0.021 1.15 1.5439 0.9986 1388311 Maybridge3_001909 COc1cccc(c1)C2(O)CCSc3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G18 compound treatment 0.277 0.0349 1.73 0.274 0.034 1.86 2.5368 0.9993 1201535 Maybridge3_001910 COC(=O)c1cnc(SCc2ccc(cc2)C(C)(C)C)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G19 compound treatment 0.26 0.0179 0.89 0.252 0.012 0.66 1.0902 0.9891 1204218 Maybridge3_001911 Clc1ccc(cc1)C(=O)Nc2nc3ccccc3c(=O)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G20 compound treatment 0.251 0.00894 0.44 0.246 0.00597 0.33 0.5433 0.9892 1610274 Maybridge3_001912 Cc1cn(nc1C(=O)Nc2nn(C)c3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G21 compound treatment 0.249 0.00694 0.34 0.245 0.00497 0.27 0.4347 0.9936 2076213 Maybridge3_001913 c1csc(c1)c2nc(cs2)c3cc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G22 compound treatment 0.252 0.00994 0.49 0.254 0.014 0.77 0.8884 0.9768 2076214 Maybridge3_001914 COCc1cc(O)nc(SCCS(=O)(=O)c2ccc(C)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G23 mock treatment 0.245 0.00294 0.14 0.246 0.00597 0.33 0.3338 0.9329 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 G24 mock treatment 0.245 0.00294 0.14 0.241 9.67E-4 0.05 0.14 0.9069 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H01 compound treatment 0.259 0.0169 0.84 0.263 0.023 1.26 1.4818 0.9802 1495881 Maybridge3_001915 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)Nc3cccnc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H02 compound treatment 0.25 0.00794 0.39 0.252 0.012 0.66 0.741 0.9696 2076215 Maybridge3_001916 Nc1nc(cc(n1)C(F)(F)F)c2ccc3CCCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H03 compound treatment 0.25 0.00794 0.39 0.248 0.00797 0.44 0.586 0.9985 1145280 Maybridge3_001917 Cn1cnc(c1)S(=O)(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H04 compound treatment 0.257 0.0149 0.74 0.256 0.016 0.88 1.1406 0.9964 1676811 Maybridge3_001918 Cc1nc(sc1C(=O)NC2CCS(=O)(=O)C2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H05 compound treatment 0.263 0.0209 1.03 0.265 0.025 1.37 1.699 0.9904 2076216 Maybridge3_001919 Oc1nnc(SCC(=O)c2ccc(F)cc2)n1c3ccccc3C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H06 compound treatment 0.255 0.0129 0.64 0.255 0.015 0.82 1.0319 0.9923 1616667 Maybridge3_001920 OCCCC(=O)NCc1ccc(F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H07 compound treatment 0.245 0.00294 0.14 0.245 0.00497 0.27 0.2951 0.9564 2076217 Maybridge3_001921 Cc1cc(no1)C(=O)Nc2cc(ccc2N3CCOCC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H08 compound treatment 0.26 0.0179 0.89 0.257 0.017 0.93 1.2841 0.9997 1599781 Maybridge3_001922 Cc1snnc1C(=O)Nc2c(nn(C)c2C(C)(C)C)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H09 compound treatment 0.263 0.0209 1.03 0.257 0.017 0.93 1.3888 0.9986 1713212 Maybridge3_001923 Cc1c(cnn1c2ccc(F)cc2)C(=O)NC3Cc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H10 compound treatment 0.251 0.00894 0.44 0.254 0.014 0.77 0.8535 0.9657 2076218 Maybridge3_001924 CCCc1c(cnn1c2ccccc2)C(=O)NCCCn3ccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H11 compound treatment 0.245 0.00294 0.14 0.244 0.00397 0.22 0.2563 0.9806 2076219 Maybridge3_001925 Nc1nc(SCc2cccc(c2)C(F)(F)F)ncc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H12 compound treatment 0.254 0.0119 0.59 0.264 0.024 1.31 1.346 0.9346 1391463 Maybridge3_001926 COC(=O)C1=C(C)NC2=C(C1c3ccc4OC(C)(C)CCc4c3)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H13 compound treatment 0.267 0.0249 1.23 0.26 0.02 1.09 1.6448 0.9983 2076220 Maybridge3_001927 Cn1c(SCC(=O)c2cc(Cl)c(Cl)s2)nnc1c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H14 compound treatment 0.252 0.00994 0.49 0.252 0.012 0.66 0.8109 0.9897 1262660 Maybridge3_001928 Cc1cc(NC(=O)CCCO)[nH]n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H15 compound treatment 0.251 0.00894 0.44 0.259 0.019 1.04 1.0474 0.9271 1670881 Maybridge3_001929 C(OCc1ccc2OCCc2c1)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H16 compound treatment 0.254 0.0119 0.59 0.254 0.014 0.77 0.9583 0.9916 1238598 Maybridge3_001930 O=C1N(Cc2ccccc2)S(=O)(=O)Nc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H17 compound treatment 0.258 0.0159 0.79 0.263 0.023 1.26 1.4469 0.9744 1669500 Maybridge3_001931 OCCCC(=O)NCc1ccc2OCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H18 compound treatment 0.253 0.0109 0.54 0.249 0.00897 0.49 0.7295 0.9989 2076221 Maybridge3_001932 CCCc1c(cnn1c2ccccc2)C(=O)N3CC(C)OC(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H19 compound treatment 0.256 0.0139 0.69 0.255 0.015 0.82 1.0669 0.9962 2076222 Maybridge3_001933 FC(F)(F)c1ccnc(n1)N2CCN(CCNC(=O)c3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H20 compound treatment 0.252 0.00994 0.49 0.249 0.00897 0.49 0.6946 1.0 1370216 Maybridge3_001934 OC(=O)CCC(=O)NCc1csc2ccc(Cl)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H21 compound treatment 0.253 0.0109 0.54 0.252 0.012 0.66 0.8458 0.9953 1416019 Maybridge3_001935 Cc1nc(cs1)c2ccc(NC(=O)COCC(=O)O)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H22 compound treatment 0.251 0.00894 0.44 0.246 0.00597 0.33 0.5433 0.9892 1585644 Maybridge3_001936 Cc1ccsc1CNC(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H23 mock treatment 0.246 0.00394 0.19 0.251 0.011 0.6 0.5626 0.8903 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 H24 mock treatment 0.254 0.0119 0.59 0.243 0.00297 0.16 0.5318 0.8697 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I01 compound treatment 0.247 0.00494 0.24 0.248 0.00797 0.44 0.4812 0.962 2076223 Maybridge3_001937 COc1ccc(COCC(O)CN2CCN(CC2)c3ccc(cn3)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I02 compound treatment 0.252 0.00994 0.49 0.257 0.017 0.93 1.0047 0.9553 1227256 Maybridge3_001938 Brc1cc(Br)c2nc(NC(=O)C3CCC3)sc(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I03 compound treatment 0.255 0.0129 0.64 0.254 0.014 0.77 0.9932 0.9959 2076224 Maybridge3_001939 OC(=O)CSCc1nc(no1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I04 compound treatment 0.304 0.0619 3.06 0.293 0.053 2.9 4.2162 0.9997 2076225 Maybridge3_001940 Oc1ccc(cc1)n2nnnc2SCC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I05 compound treatment 0.255 0.0129 0.64 0.258 0.018 0.99 1.1483 0.978 1189762 Maybridge3_001941 Cc1ccc(OCC(O)CN2CCC(CC2)C(=O)N)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I06 compound treatment 0.267 0.0249 1.23 0.271 0.031 1.7 2.0713 0.9876 1189475 Maybridge3_001942 COc1ccc(cc1)C(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I07 compound treatment 0.254 0.0119 0.59 0.259 0.019 1.04 1.1521 0.9638 2076226 Maybridge3_001943 COC(=O)c1sc(cc1N2C(=O)C=CC2=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I08 compound treatment 0.285 0.0429 2.12 0.273 0.033 1.81 2.7774 0.9968 2076227 Maybridge3_001944 FC(F)(F)c1oc(cc1C(=O)Nc2cccnc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I09 compound treatment 0.267 0.0249 1.23 0.261 0.021 1.15 1.6836 0.9994 1384468 Maybridge3_001945 Cc1cn(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I10 compound treatment 0.257 0.0149 0.74 0.255 0.015 0.82 1.1018 0.9986 1575936 Maybridge3_001946 O=C(Nc1ccc2OCCOc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I11 compound treatment 0.255 0.0129 0.64 0.256 0.016 0.88 1.0707 0.988 1710950 Maybridge3_001947 Clc1ccc2nc(sc2c1)N3CCN(CC3)S(=O)(=O)c4ccc(C#N)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I12 compound treatment 0.26 0.0179 0.89 0.264 0.024 1.31 1.5555 0.9816 2076228 Maybridge3_001948 FC(F)(F)c1cc(NC(=O)c2cccs2)ccc1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I13 compound treatment 0.265 0.0229 1.13 0.265 0.025 1.37 1.7688 0.9956 1193929 Maybridge3_001949 COc1ccc(cc1)c2ccnc(SCC(=O)N3CCN(CC3)c4ccccc4)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I14 compound treatment 0.267 0.0249 1.23 0.266 0.026 1.42 1.8774 0.9974 1701310 Maybridge3_001950 Clc1cc(c(Cl)s1)S(=O)(=O)N2CCN(CCc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I15 compound treatment 0.253 0.0109 0.54 0.257 0.017 0.93 1.0397 0.9665 1559476 Maybridge3_001951 COc1cc2nc(NC(=O)c3ccccc3)sc(=O)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I16 compound treatment 0.347 0.105 5.18 0.357 0.117 6.41 8.199 0.9944 2076229 Maybridge3_001952 Cc1nc(nc(SCC(=O)c2ccccc2)c1Cl)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I17 compound treatment 0.266 0.0239 1.18 0.262 0.022 1.2 1.6874 1.0 2076230 Maybridge3_001953 COc1ccc(cc1)c2c(nn3c(=O)cc([nH]c23)C(C)(C)C)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I18 compound treatment 0.251 0.00894 0.44 0.248 0.00797 0.44 0.6209 1.0 1182581 Maybridge3_001954 Cc1ccc2N(CC(=O)Nc3ccccc3)CCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I19 compound treatment 0.285 0.0429 2.12 0.302 0.062 3.4 3.9017 0.9742 1467907 Maybridge3_001955 Cc1csc2c(=O)sc(NC(=O)c3ccc(F)cc3Cl)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I20 compound treatment 0.256 0.0139 0.69 0.253 0.013 0.71 0.9893 0.9999 1671543 Maybridge3_001956 Cc1cc(no1)C(=O)Nc2nn(C)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I21 compound treatment 0.278 0.0359 1.77 0.266 0.026 1.42 2.2615 0.994 2076231 Maybridge3_001957 Fc1ccc(cc1)c2csc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I22 compound treatment 0.255 0.0129 0.64 0.256 0.016 0.88 1.0707 0.988 2076232 Maybridge3_001958 COCc1cc(O)nc(SCCS(=O)(=O)c2ccc(Cl)cc2Cl)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I23 mock treatment 0.253 0.0109 0.54 0.239 -0.00103 -0.06 0.3418 0.6295 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 I24 mock treatment 0.246 0.00394 0.19 0.245 0.00497 0.27 0.33 0.9863 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J01 compound treatment 0.294 0.0519 2.56 0.294 0.054 2.96 3.9058 0.9975 1485257 Maybridge3_001959 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)Nc3ccncc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J02 compound treatment 0.241 -0.00106 -0.05 0.244 0.00397 0.22 0.1166 0.5212 2076233 Maybridge3_001960 FC(F)(F)c1cc(n[nH]1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J03 compound treatment 0.251 0.00894 0.44 0.246 0.00597 0.33 0.5433 0.9892 1134819 Maybridge3_001961 Cc1cc(no1)C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J04 compound treatment 0.254 0.0119 0.59 0.254 0.014 0.77 0.9583 0.9916 1313849 Maybridge3_001962 O=C(NC1CCS(=O)(=O)C1)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J05 compound treatment 0.253 0.0109 0.54 0.253 0.013 0.71 0.8846 0.9908 2076234 Maybridge3_001963 OCC(=O)c1ccc(F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J06 compound treatment 0.253 0.0109 0.54 0.257 0.017 0.93 1.0397 0.9665 2076235 Maybridge3_001964 O=C(Nc1cccnc1N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J07 compound treatment 0.244 0.00194 0.1 0.244 0.00397 0.22 0.2214 0.9318 2076236 Maybridge3_001965 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)c3cccs3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J08 compound treatment 0.254 0.0119 0.59 0.252 0.012 0.66 0.8807 0.9986 2076237 Maybridge3_001966 Cc1cc(C)n2nc(c(c3ccccc3)c2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J09 compound treatment 0.257 0.0149 0.74 0.256 0.016 0.88 1.1406 0.9964 1600185 Maybridge3_001967 COC(=O)C1=C(C)NC2=C(C1c3sccc3C)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J10 compound treatment 0.248 0.00594 0.29 0.251 0.011 0.6 0.6324 0.9454 1579630 Maybridge3_001968 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J11 compound treatment 0.251 0.00894 0.44 0.252 0.012 0.66 0.776 0.9814 1495636 Maybridge3_001969 Fc1ccccc1CC(=O)Nc2nnc(s2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J12 compound treatment 0.247 0.00494 0.24 0.251 0.011 0.6 0.5975 0.9209 1136115 Maybridge3_001970 Fc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc3ccccc3)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J13 compound treatment 0.25 0.00794 0.39 0.259 0.019 1.04 1.0124 0.911 1426078 Maybridge3_001971 COc1ccccc1n2c(coc2=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J14 compound treatment 0.248 0.00594 0.29 0.25 0.00997 0.55 0.5937 0.9574 1213217 Maybridge3_001972 Cn1nc(cc1C(=O)NCc2ccc3OCOc3c2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J15 compound treatment 0.251 0.00894 0.44 0.25 0.00997 0.55 0.6984 0.9944 1392939 Maybridge3_001973 OC(=O)CCCC(=O)Nc1ccc2COC(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J16 compound treatment 0.254 0.0119 0.59 0.262 0.022 1.2 1.2684 0.9459 1543905 Maybridge3_001974 Clc1cc(c(Cl)s1)S(=O)(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J17 compound treatment 0.262 0.0199 0.98 0.263 0.023 1.26 1.5865 0.9926 1255998 Maybridge3_001975 O=c1nc([nH]c2ccccc12)c3cccc(Oc4ccccc4)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J18 compound treatment 0.249 0.00694 0.34 0.25 0.00997 0.55 0.6286 0.9747 1509089 Maybridge3_001976 CCCc1c(cnn1c2ccccc2)C(=O)NCc3ccc(OC)c(OC)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J19 compound treatment 0.257 0.0149 0.74 0.257 0.017 0.93 1.1793 0.9934 1561840 Maybridge3_001977 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J20 compound treatment 0.252 0.00994 0.49 0.247 0.00697 0.38 0.617 0.9923 1636335 Maybridge3_001978 COC(=O)c1ccc(n1C)S(=O)(=O)NCc2csc3ccc(Cl)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J21 compound treatment 0.252 0.00994 0.49 0.253 0.013 0.71 0.8497 0.9836 1214861 Maybridge3_001979 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3sccc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J22 compound treatment 0.247 0.00494 0.24 0.246 0.00597 0.33 0.4037 0.9895 1481616 Maybridge3_001980 Cc1ccsc1CNC(=O)CCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J23 mock treatment 0.247 0.00494 0.24 0.243 0.00297 0.16 0.2874 0.9807 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 J24 mock treatment 0.251 0.00894 0.44 0.245 0.00497 0.27 0.5046 0.9731 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K01 compound treatment 0.238 -0.00406 -0.2 0.245 0.00497 0.27 0.0506 0.1497 2076238 Maybridge3_001981 CN(C)c1ccc(cc1)n2nnnc2SC3Cc4ccccc4C3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K02 compound treatment 0.25 0.00794 0.39 0.248 0.00797 0.44 0.586 0.9985 2076239 Maybridge3_001982 Cc1nc(ccc1C(=O)Nc2nc3ccsc3c(=O)s2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K03 compound treatment 0.253 0.0109 0.54 0.249 0.00897 0.49 0.7295 0.9989 1438093 Maybridge3_001983 COC(=O)c1cc(NC(=O)c2ccccc2)ccc1N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K04 compound treatment 0.254 0.0119 0.59 0.26 0.02 1.09 1.1909 0.9578 1667899 Maybridge3_001984 Cc1nnsc1C(=O)N2CCCN(CC2)c3nc4ccc(Cl)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K05 compound treatment 0.257 0.0149 0.74 0.262 0.022 1.2 1.3732 0.9723 1236304 Maybridge3_001985 Cc1ccc(OCC(O)CNC2Cc3ccccc3C2)cc1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K06 compound treatment 0.269 0.0269 1.33 0.272 0.032 1.75 2.1799 0.9907 2076240 Maybridge3_001986 FC(F)(F)c1ccc(nc1)N2CCN(Cc3cc(Cl)cc4COCOc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K07 compound treatment 0.246 0.00394 0.19 0.254 0.014 0.77 0.6789 0.8593 1684322 Maybridge3_001987 OC(=O)c1nccnc1C(=O)N2CCCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K08 compound treatment 0.27 0.0279 1.38 0.275 0.035 1.92 2.3311 0.987 2076241 Maybridge3_001988 FC(F)(F)c1oc(cc1C(=O)Nc2ccncc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K09 compound treatment 0.244 0.00194 0.1 0.246 0.00597 0.33 0.2989 0.877 1228424 Maybridge3_001989 Cc1cn(CCC(=O)Nc2ccc(F)cc2)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K10 compound treatment 0.273 0.0309 1.53 0.274 0.034 1.86 2.3971 0.9952 2076242 Maybridge3_001990 FC(F)(F)c1oc(cc1C(=O)NCc2ccncc2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K11 compound treatment 0.255 0.0129 0.64 0.253 0.013 0.71 0.9544 0.9986 2076243 Maybridge3_001991 OC(=O)CSCC(=O)N1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K12 compound treatment 0.262 0.0199 0.98 0.263 0.023 1.26 1.5865 0.9926 1344374 Maybridge3_001992 CSc1ncccc1C(=O)NC2(O)C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K13 compound treatment 0.249 0.00694 0.34 0.257 0.017 0.93 0.9 0.9079 1538153 Maybridge3_001993 COc1cccc(SCC(=O)N2CCN(CC2)c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K14 compound treatment 0.253 0.0109 0.54 0.254 0.014 0.77 0.9233 0.9854 1196604 Maybridge3_001994 CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K15 compound treatment 0.265 0.0229 1.13 0.264 0.024 1.31 1.7301 0.9973 1607179 Maybridge3_001995 Cn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K16 compound treatment 0.259 0.0169 0.84 0.265 0.025 1.37 1.5593 0.972 2076244 Maybridge3_001996 Cc1nc(nc(SCC(=O)N2CCOCC2)c1Cl)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K17 compound treatment 0.262 0.0199 0.98 0.264 0.024 1.31 1.6253 0.9899 1397364 Maybridge3_001997 Cc1cn(CCC(=O)NCc2c(F)cccc2Cl)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K18 compound treatment 0.254 0.0119 0.59 0.255 0.015 0.82 0.997 0.9868 1576139 Maybridge3_001998 Cc1ccc(Oc2ncccc2NS(=O)(=O)C)c3CCCc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K19 compound treatment 0.325 0.0829 4.1 0.298 0.058 3.18 5.1433 0.9921 1322535 Maybridge3_001999 Cc1csc2c(=O)sc(NC(=O)c3ccccc3C)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K20 compound treatment 0.25 0.00794 0.39 0.252 0.012 0.66 0.741 0.9696 2076245 Maybridge3_002000 Cn1nc(NC(=O)Cn2ccc(n2)C(F)(F)F)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K21 compound treatment 0.266 0.0239 1.18 0.262 0.022 1.2 1.6874 1.0 2076246 Maybridge3_002001 c1csc(c1)c2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K22 compound treatment 0.251 0.00894 0.44 0.252 0.012 0.66 0.776 0.9814 1120927 Maybridge3_002002 Cc1c(cnn1c2ccc(Cl)cc2)C(=O)NC3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K23 mock treatment 0.248 0.00594 0.29 0.25 0.00997 0.55 0.5937 0.9574 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 K24 mock treatment 0.24 -0.00206 -0.1 0.249 0.00897 0.49 0.2756 0.5488 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L01 compound treatment 0.249 0.00694 0.34 0.253 0.013 0.71 0.7449 0.9439 1404788 Maybridge3_002003 CC(=O)Nc1cccc(c1)n2nnc(SCc3ccccc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L02 compound treatment 0.262 0.0199 0.98 0.266 0.026 1.42 1.7028 0.9838 1467506 Maybridge3_002004 Fc1cc(CNC(=O)c2ccc(s2)c3ccccn3)c4OCOCc4c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L03 compound treatment 0.254 0.0119 0.59 0.253 0.013 0.71 0.9195 0.9957 1607688 Maybridge3_002005 COc1ccc(cc1OC)C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L04 compound treatment 0.266 0.0239 1.18 0.265 0.025 1.37 1.8037 0.9973 1731758 Maybridge3_002006 CC(C)(CC(=O)O)CC(=O)N1CCN(CC1)c2nc3cc(Cl)ccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L05 compound treatment 0.256 0.0139 0.69 0.26 0.02 1.09 1.2607 0.975 2076247 Maybridge3_002007 Cn1c(SCC(=O)c2ccc(F)cc2)nnc1c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L06 compound treatment 0.275 0.0329 1.63 0.275 0.035 1.92 2.5057 0.9966 1142775 Maybridge3_002008 Clc1cc(C(=O)Nc2nnc(s2)C3CC3)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L07 compound treatment 0.253 0.0109 0.54 0.252 0.012 0.66 0.8458 0.9953 1287211 Maybridge3_002009 CC1CCN(CC1)c2nc(ns2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L08 compound treatment 0.253 0.0109 0.54 0.252 0.012 0.66 0.8458 0.9953 1489531 Maybridge3_002010 Cc1cnc(NS(=O)(=O)c2cn(C)cn2)c(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L09 compound treatment 0.249 0.00694 0.34 0.248 0.00797 0.44 0.551 0.9928 2076248 Maybridge3_002011 OC1CCN(CC1)S(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L10 compound treatment 0.255 0.0129 0.64 0.255 0.015 0.82 1.0319 0.9923 1403249 Maybridge3_002012 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L11 compound treatment 0.255 0.0129 0.64 0.258 0.018 0.99 1.1483 0.978 1735185 Maybridge3_002013 COc1ccc(cc1)C(=O)NC2CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L12 compound treatment 0.251 0.00894 0.44 0.251 0.011 0.6 0.7372 0.9884 1441094 Maybridge3_002014 O=C(Oc1ccccc1N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L13 compound treatment 0.259 0.0169 0.84 0.261 0.021 1.15 1.4042 0.9878 1580635 Maybridge3_002015 OC(=O)COCC(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L14 compound treatment 0.253 0.0109 0.54 0.255 0.015 0.82 0.9621 0.9794 2076249 Maybridge3_002016 O=c1[nH]cnc2sc3CCN(Cc4ccccc4)Cc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L15 compound treatment 0.26 0.0179 0.89 0.258 0.018 0.99 1.3228 0.9986 1129175 Maybridge3_002017 CC(C)(CC(=O)O)CC(=O)Nc1ccc2COC(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L16 compound treatment 0.246 0.00394 0.19 0.253 0.013 0.71 0.6401 0.8685 2076250 Maybridge3_002018 COC(=O)c1cc(c(s1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)NCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L17 compound treatment 0.27 0.0279 1.38 0.269 0.029 1.59 2.0985 0.9975 1331961 Maybridge3_002019 Oc1ccc(cc1)c2nc(=O)c3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L18 compound treatment 0.257 0.0149 0.74 0.25 0.00997 0.55 0.9079 0.9891 1712584 Maybridge3_002020 COc1cccc2n(C)nc(NC(=O)c3cc(C)oc3C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L19 compound treatment 0.258 0.0159 0.79 0.256 0.016 0.88 1.1755 0.9986 1495236 Maybridge3_002021 O=C(NCc1ccco1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L20 compound treatment 0.282 0.0399 1.97 0.3 0.06 3.29 3.7194 0.9701 1486898 Maybridge3_002022 Clc1ccc2scc(CNS(=O)(=O)c3ccc(cc3)N4C(=O)CCC4=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L21 compound treatment 0.249 0.00694 0.34 0.252 0.012 0.66 0.7061 0.954 1492659 Maybridge3_002023 O=C(NC1Cc2ccccc2C1)C3CCN(CC3)C(=O)OCc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L22 compound treatment 0.251 0.00894 0.44 0.253 0.013 0.71 0.8147 0.9737 2076251 Maybridge3_002024 Cc1ccsc1CNS(=O)(=O)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L23 mock treatment 0.252 0.00994 0.49 0.252 0.012 0.66 0.8109 0.9897 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 L24 mock treatment 0.25 0.00794 0.39 0.245 0.00497 0.27 0.4697 0.9842 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M01 compound treatment 0.251 0.00894 0.44 0.252 0.012 0.66 0.776 0.9814 1337273 Maybridge3_002025 OC(CNCc1ccc2OCOc2c1)CSc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M02 compound treatment 0.254 0.0119 0.59 0.252 0.012 0.66 0.8807 0.9986 1270387 Maybridge3_002026 O=C(NC1CCN(Cc2ccccc2)CC1)c3cccn3CCc4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M03 compound treatment 0.264 0.0219 1.08 0.261 0.021 1.15 1.5788 0.9996 2076252 Maybridge3_002027 OC(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Oc4cccc(c4)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M04 compound treatment 0.256 0.0139 0.69 0.254 0.014 0.77 1.0281 0.9986 1432356 Maybridge3_002028 Cc1nnsc1C(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M05 compound treatment 0.258 0.0159 0.79 0.267 0.027 1.48 1.6019 0.9564 1440931 Maybridge3_002029 OC(CNC1Cc2ccccc2C1)COc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M06 compound treatment 0.248 0.00594 0.29 0.251 0.011 0.6 0.6324 0.9454 2076253 Maybridge3_002030 COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M07 compound treatment 0.25 0.00794 0.39 0.251 0.011 0.6 0.7023 0.9785 1712757 Maybridge3_002031 Cc1ccc(C)n1c2nn(c3cccc(F)c23)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M08 compound treatment 0.271 0.0289 1.43 0.271 0.031 1.7 2.211 0.9963 1427520 Maybridge3_002032 Clc1cc(c(Cl)s1)S(=O)(=O)N2CCCN(CCc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M09 compound treatment 0.255 0.0129 0.64 0.254 0.014 0.77 0.9932 0.9959 1540055 Maybridge3_002033 Cc1cn(CCC(=O)NCc2ccc3OCOc3c2)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M10 compound treatment 0.254 0.0119 0.59 0.251 0.011 0.6 0.8419 0.9999 1683280 Maybridge3_002034 O=C(Nc1ccc2OCCOc2c1)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M11 compound treatment 0.242 -6.45E-5 0.0 0.244 0.00397 0.22 0.1515 0.6967 1650787 Maybridge3_002035 Fc1ccc(cc1)C(=O)N2CCCN(CC2)c3nc(ns3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M12 compound treatment 0.26 0.0179 0.89 0.259 0.019 1.04 1.3616 0.9968 1181430 Maybridge3_002036 Cc1ccc(cn1)C(=O)NC2(O)C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M13 compound treatment 0.257 0.0149 0.74 0.262 0.022 1.2 1.3732 0.9723 1511362 Maybridge3_002037 CCCc1cc(O)nc(SCC(=O)N2CCN(CC2)c3ccccc3)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M14 compound treatment 0.25 0.00794 0.39 0.253 0.013 0.71 0.7798 0.9606 1446041 Maybridge3_002038 CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M15 compound treatment 0.252 0.00994 0.49 0.252 0.012 0.66 0.8109 0.9897 1235452 Maybridge3_002039 Brc1cc(Br)c2nc(NC(=O)c3cccs3)sc(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M16 compound treatment 0.256 0.0139 0.69 0.259 0.019 1.04 1.2219 0.9799 1696431 Maybridge3_002040 CC(=O)Nc1ccc(Oc2nc(ns2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M17 compound treatment 0.253 0.0109 0.54 0.253 0.013 0.71 0.8846 0.9908 1512525 Maybridge3_002041 Cc1cn(CCC(=O)Nc2nn(C)c3ccccc23)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M18 compound treatment 0.254 0.0119 0.59 0.262 0.022 1.2 1.2684 0.9459 1250808 Maybridge3_002042 O=C(N(Cc1ccccn1)Cc2ccccn2)c3cc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M19 compound treatment 0.254 0.0119 0.59 0.247 0.00697 0.38 0.6869 0.978 2076254 Maybridge3_002043 CCn1nc(C)cc1C(=O)OCC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M20 compound treatment 0.246 0.00394 0.19 0.252 0.012 0.66 0.6014 0.8788 1495118 Maybridge3_002044 CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M21 compound treatment 0.251 0.00894 0.44 0.25 0.00997 0.55 0.6984 0.9944 2076255 Maybridge3_002045 Cc1csc2c(=O)sc(NC(=O)c3ccc(OC(F)(F)F)cc3)nc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M22 compound treatment 0.249 0.00694 0.34 0.249 0.00897 0.49 0.5898 0.9844 1735321 Maybridge3_002046 Cc1c(cnn1c2ccc(Cl)cc2)C(=O)N(Cc3ccccc3)Cc4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M23 mock treatment 0.247 0.00494 0.24 0.246 0.00597 0.33 0.4037 0.9895 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 M24 mock treatment 0.245 0.00294 0.14 0.23 -0.01 -0.55 -0.2865 -0.5036 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N01 compound treatment 0.247 0.00494 0.24 0.236 -0.00403 -0.22 0.016 0.0485 2076256 Maybridge3_002047 CCOC(=O)Cc1c(C)nn(c1O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N02 compound treatment 0.248 0.00594 0.29 0.241 9.67E-4 0.05 0.2447 0.8216 1522088 Maybridge3_002048 Fc1cc(CNC(=O)C2CC2)c3OCOCc3c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N03 compound treatment 0.249 0.00694 0.34 0.25 0.00997 0.55 0.6286 0.9747 1207786 Maybridge3_002049 OC(=O)CSCC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N04 compound treatment 0.251 0.00894 0.44 0.25 0.00997 0.55 0.6984 0.9944 1154839 Maybridge3_002050 OC(=O)CSCC(=O)N1CCN(CC1)c2nc3cc(Cl)ccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N05 compound treatment 0.245 0.00294 0.14 0.247 0.00697 0.38 0.3726 0.912 1740795 Maybridge3_002051 O=S(=O)(NCC1CCN(CC1)S(=O)(=O)c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N06 compound treatment 0.269 0.0269 1.33 0.274 0.034 1.86 2.2574 0.9864 1617862 Maybridge3_002052 Clc1c(sc2ccccc12)C(=O)Nc3nnc(s3)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N07 compound treatment 0.262 0.0199 0.98 0.259 0.019 1.04 1.4315 0.9996 1364637 Maybridge3_002053 COC(=O)C1=C(C)NC2=C(C1c3ccc(cc3Cl)N(C)C)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N08 compound treatment 0.267 0.0249 1.23 0.271 0.031 1.7 2.0713 0.9876 1440607 Maybridge3_002054 Cc1csc(NC(=O)CSCC(=O)O)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N09 compound treatment 0.247 0.00494 0.24 0.243 0.00297 0.16 0.2874 0.9807 1446222 Maybridge3_002055 Cn1cc(Br)c(n1)c2cccc(NC(=O)CCCC(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N10 compound treatment 0.248 0.00594 0.29 0.25 0.00997 0.55 0.5937 0.9574 1490229 Maybridge3_002056 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc4OC(C)(C)CCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N11 compound treatment 0.246 0.00394 0.19 0.246 0.00597 0.33 0.3687 0.9691 1255021 Maybridge3_002057 O=S(=O)(NC1CCS(=O)(=O)C1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N12 compound treatment 0.243 9.35E-4 0.05 0.246 0.00597 0.33 0.264 0.799 2076257 Maybridge3_002058 Cc1nc(ccc1C(=O)Oc2ccccc2N3CCOCC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N13 compound treatment 0.246 0.00394 0.19 0.251 0.011 0.6 0.5626 0.8903 1456078 Maybridge3_002059 OC(=O)CCC(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N14 compound treatment 0.246 0.00394 0.19 0.246 0.00597 0.33 0.3687 0.9691 1595423 Maybridge3_002060 OC(=O)CCc1nc(no1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N15 compound treatment 0.261 0.0189 0.94 0.258 0.018 0.99 1.3578 0.9997 1731731 Maybridge3_002061 CSc1ncccc1C(=O)Nc2ccc3COC(=O)c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N16 compound treatment 0.274 0.0319 1.58 0.286 0.046 2.52 2.8973 0.9745 2076258 Maybridge3_002062 COC(=O)c1cc(c(s1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)NCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N17 compound treatment 0.255 0.0129 0.64 0.251 0.011 0.6 0.8769 0.9995 1199121 Maybridge3_002063 COc1ccccc1C2CCN(CC2)C(=O)c3cnn(c3C)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N18 compound treatment 0.255 0.0129 0.64 0.259 0.019 1.04 1.187 0.9726 1505166 Maybridge3_002064 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccccc3N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N19 compound treatment 0.251 0.00894 0.44 0.249 0.00897 0.49 0.6597 0.9985 1717636 Maybridge3_002065 O=C(NCc1ccsc1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N20 compound treatment 0.244 0.00194 0.1 0.246 0.00597 0.33 0.2989 0.877 1731432 Maybridge3_002066 CCN(CC)c1ccc(NS(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N21 compound treatment 0.27 0.0279 1.38 0.273 0.033 1.81 2.2536 0.9911 2076259 Maybridge3_002067 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(s3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N22 compound treatment 0.244 0.00194 0.1 0.246 0.00597 0.33 0.2989 0.877 2076260 Maybridge3_002068 Cc1ccsc1CNS(=O)(=O)c2cccc3nonc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N23 mock treatment 0.247 0.00494 0.24 0.243 0.00297 0.16 0.2874 0.9807 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 N24 mock treatment 0.244 0.00194 0.1 0.239 -0.00103 -0.06 0.0275 0.2477 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O01 compound treatment 0.212 -0.0301 -1.48 0.212 -0.028 -1.54 -2.1367 -0.9998 1261462 Maybridge3_002069 NC(=O)C1CCN(CC(O)CSc2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O02 compound treatment 0.237 -0.00506 -0.25 0.237 -0.00303 -0.17 -0.2944 -0.9804 2076261 Maybridge3_002070 COC(=O)Cc1cc(=O)n2nc(c(c3ccc(Br)cc3)c2[nH]1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O03 compound treatment 0.246 0.00394 0.19 0.243 0.00297 0.16 0.2524 0.9961 1419421 Maybridge3_002071 OC(CNCc1ccc2OCOc2c1)COc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O04 compound treatment 0.249 0.00694 0.34 0.246 0.00597 0.33 0.4735 0.9997 1587400 Maybridge3_002072 Cc1nnsc1C(=O)NC2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O05 compound treatment 0.247 0.00494 0.24 0.253 0.013 0.71 0.6751 0.8982 2076262 Maybridge3_002073 Cc1ccc(Sc2ncccc2c3nnc(o3)C4CC4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O06 compound treatment 0.252 0.00994 0.49 0.258 0.018 0.99 1.0435 0.9482 1681752 Maybridge3_002074 COC(=O)c1sc(cc1NC(=O)CCC(=O)O)c2ccc(cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O07 compound treatment 0.247 0.00494 0.24 0.251 0.011 0.6 0.5975 0.9209 1380844 Maybridge3_002075 COc1ccc2[nH]c(cc2c1)C(=O)NCc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O08 compound treatment 0.25 0.00794 0.39 0.248 0.00797 0.44 0.586 0.9985 2076263 Maybridge3_002076 FC(F)(F)c1ccccc1C(=O)N2CCCN(CCc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O09 compound treatment 0.246 0.00394 0.19 0.246 0.00597 0.33 0.3687 0.9691 1423981 Maybridge3_002077 COc1ccc(NC(=O)CCn2cc(C)c3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O10 compound treatment 0.253 0.0109 0.54 0.251 0.011 0.6 0.807 0.9986 1154956 Maybridge3_002078 OC(=O)CSCC(=O)N1CCCN(CC1)c2nc3ccc(Cl)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O11 compound treatment 0.24 -0.00206 -0.1 0.247 0.00697 0.38 0.198 0.5009 1599738 Maybridge3_002079 COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O12 compound treatment 0.25 0.00794 0.39 0.245 0.00497 0.27 0.4697 0.9842 1229630 Maybridge3_002080 Cc1cc(ccc1NC(=O)CSCC(=O)O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O13 compound treatment 0.272 0.0299 1.48 0.283 0.043 2.36 2.7111 0.9748 2076264 Maybridge3_002081 Cc1nc(ccc1C(=O)Nc2oc(cc2C#N)c3ccccc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O14 compound treatment 0.247 0.00494 0.24 0.248 0.00797 0.44 0.4812 0.962 1208774 Maybridge3_002082 CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O15 compound treatment 0.249 0.00694 0.34 0.248 0.00797 0.44 0.551 0.9928 1242858 Maybridge3_002083 COc1ccc(NC(=O)c2cccs2)cc1OC3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O16 compound treatment 0.244 0.00194 0.1 0.251 0.011 0.6 0.4928 0.8093 2076265 Maybridge3_002084 COc1ncnc2scc(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O17 compound treatment 0.231 -0.0111 -0.55 0.228 -0.012 -0.66 -0.8529 -0.9956 1676392 Maybridge3_002085 OC(=O)CSCC(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O18 compound treatment 0.255 0.0129 0.64 0.256 0.016 0.88 1.0707 0.988 2076266 Maybridge3_002086 FC(F)(F)c1ccc(nc1)N2CCCN(CC2)C(=O)c3cc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O19 compound treatment 0.243 9.35E-4 0.05 0.246 0.00597 0.33 0.264 0.799 1094519 Maybridge3_002087 CC(=O)N1CCCC1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O20 compound treatment 0.245 0.00294 0.14 0.245 0.00497 0.27 0.2951 0.9564 1432005 Maybridge3_002088 O=S(=O)(Nc1ccccc1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O21 compound treatment 0.247 0.00494 0.24 0.244 0.00397 0.22 0.3261 0.9984 2076267 Maybridge3_002089 CN1CCc2c(C1)sc3nc(NC(=O)c4ccc(OC(F)(F)F)cc4)sc(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O22 compound treatment 0.242 -6.45E-5 0.0 0.247 0.00697 0.38 0.2678 0.7012 1162914 Maybridge3_002090 Cc1cn(CCC(=O)Nc2ccccc2N3CCOCC3)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O23 mock treatment 0.248 0.00594 0.29 0.242 0.00197 0.11 0.2835 0.9078 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 O24 mock treatment 0.241 -0.00106 -0.05 0.219 -0.021 -1.15 -0.8526 -0.7386 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P01 compound treatment 0.196 -0.0461 -2.27 0.2 -0.04 -2.2 -3.1606 -0.9998 2076268 Maybridge3_002091 FC(F)(F)c1oc(cc1C(=O)NC2CCS(=O)(=O)C2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P02 compound treatment 0.217 -0.0251 -1.24 0.217 -0.023 -1.26 -1.7682 -0.9999 1339238 Maybridge3_002092 Fc1cc(CNC(=O)c2ccno2)c3OCOCc3c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P03 compound treatment 0.235 -0.00706 -0.35 0.224 -0.016 -0.88 -0.8683 -0.9181 1398003 Maybridge3_002093 CC(C)(CC(=O)O)CC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P04 compound treatment 0.218 -0.0241 -1.19 0.217 -0.023 -1.26 -1.7333 -0.9995 2076269 Maybridge3_002094 OC(=O)CCCC(=O)Nc1ccccc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P05 compound treatment 0.232 -0.0101 -0.5 0.238 -0.00203 -0.11 -0.4303 -0.8447 1727748 Maybridge3_002095 Fc1ccc(cc1F)c2csc(NS(=O)(=O)c3cccs3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P06 compound treatment 0.235 -0.00706 -0.35 0.225 -0.015 -0.82 -0.8295 -0.9268 1723918 Maybridge3_002096 OC(=O)C1CCC1C(=O)Nc2nnc(s2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P07 compound treatment 0.246 0.00394 0.19 0.244 0.00397 0.22 0.2912 0.9984 1566497 Maybridge3_002097 COc1cccc2n(C)nc(NC(=O)c3cc4ccccc4s3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P08 compound treatment 0.222 -0.0201 -0.99 0.225 -0.015 -0.82 -1.2835 -0.9958 2076270 Maybridge3_002098 OC(=O)CSCC(=O)Nc1ccccc1Sc2ncnc3cc(sc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P09 compound treatment 0.229 -0.0131 -0.65 0.226 -0.014 -0.77 -1.0003 -0.9962 1647183 Maybridge3_002099 Cn1cc(Br)c(n1)c2cccc(NC(=O)CSCC(=O)O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P10 compound treatment 0.232 -0.0101 -0.5 0.237 -0.00303 -0.17 -0.469 -0.895 2076271 Maybridge3_002100 COC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)C(=O)O)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P11 compound treatment 0.243 9.35E-4 0.05 0.237 -0.00303 -0.17 -0.0849 -0.4921 1266414 Maybridge3_002101 CCCCc1ccc(cc1)S(=O)(=O)NC2CCS(=O)(=O)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P12 compound treatment 0.238 -0.00406 -0.2 0.226 -0.014 -0.77 -0.686 -0.8627 2076272 Maybridge3_002102 CSc1nsc(SC)c1C(=O)Oc2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P13 compound treatment 0.225 -0.0171 -0.84 0.228 -0.012 -0.66 -1.0624 -0.9927 1725821 Maybridge3_002103 CC(C)(CC(=O)O)CC(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P14 compound treatment 0.232 -0.0101 -0.5 0.232 -0.00803 -0.44 -0.6629 -0.9982 1192346 Maybridge3_002104 O=C(NCc1ccc2OCOc2c1)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P15 compound treatment 0.238 -0.00406 -0.2 0.238 -0.00203 -0.11 -0.2208 -0.9615 1182512 Maybridge3_002105 O=C(CCc1ccccc1)Nc2ccc3COC(=O)c3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P16 compound treatment 0.239 -0.00306 -0.15 0.243 0.00297 0.16 0.008 0.0361 1469354 Maybridge3_002106 OC(=O)c1nccnc1C(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P17 compound treatment 0.248 0.00594 0.29 0.235 -0.00503 -0.28 0.0121 0.0301 2076273 Maybridge3_002107 FC(F)(F)c1nn2c(=O)cc([nH]c2c1c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P18 compound treatment 0.237 -0.00506 -0.25 0.234 -0.00603 -0.33 -0.4108 -0.9905 1626757 Maybridge3_002108 COC(=O)C1=C(C)NC2=C(C1c3ccccc3N4CCOCC4)C(=O)CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P19 compound treatment 0.221 -0.0211 -1.04 0.227 -0.013 -0.71 -1.2408 -0.9832 1654342 Maybridge3_002109 OCCCC(=O)NC1Cc2ccccc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P20 compound treatment 0.246 0.00394 0.19 0.231 -0.00903 -0.5 -0.2128 -0.4 1704763 Maybridge3_002110 CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P21 compound treatment 0.221 -0.0211 -1.04 0.221 -0.019 -1.04 -1.4735 -1.0 1313402 Maybridge3_002111 CC1=C(C#N)C(C2=C(CCCC2=O)N1)c3c[nH]nc3c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P22 compound treatment 0.223 -0.0191 -0.94 0.227 -0.013 -0.71 -1.171 -0.9908 1296036 Maybridge3_002112 Cc1ccsc1CNS(=O)(=O)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P23 mock treatment 0.234 -0.00806 -0.4 0.226 -0.014 -0.77 -0.8257 -0.953 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1436 P24 mock treatment 0.216 -0.0261 -1.29 0.207 -0.033 -1.81 -2.1908 -0.986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A01 compound treatment 0.174 -0.0664 -3.28 0.174 -0.0634 -3.47 -4.7737 -0.9996 2076274 Maybridge3_002113 Cc1ccsc1CNC(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A02 compound treatment 0.18 -0.0604 -2.98 0.185 -0.0524 -2.87 -4.1377 -0.9998 1642395 Maybridge3_002114 Cc1cc(NC(=O)CC2(CC(=O)O)CCCC2)n(C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A03 compound treatment 0.21 -0.0304 -1.5 0.194 -0.0434 -2.38 -2.7412 -0.9753 1645580 Maybridge3_002115 OC(CN1CCN(Cc2ccc3OCOc3c2)CC1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A04 compound treatment 0.211 -0.0294 -1.45 0.201 -0.0364 -1.99 -2.4349 -0.9878 2076275 Maybridge3_002116 Cc1cc(no1)C(=O)Nc2c(c(nn2C)C(F)(F)F)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A05 compound treatment 0.214 -0.0264 -1.3 0.225 -0.0124 -0.68 -1.3997 -0.9536 1667979 Maybridge3_002117 CCCc1c(cnn1c2ccccc2)C(=O)NCc3cc(F)cc4COCOc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A06 compound treatment 0.227 -0.0134 -0.66 0.211 -0.0264 -1.45 -1.4885 -0.937 2076276 Maybridge3_002118 Cc1ccc(cc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A07 compound treatment 0.23 -0.0104 -0.51 0.224 -0.0134 -0.73 -0.8798 -0.9847 1218131 Maybridge3_002119 Clc1ccc2scc(CNS(=O)(=O)c3ccccc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A08 compound treatment 0.247 0.00663 0.33 0.231 -0.00635 -0.35 -0.0148 -0.0309 2076277 Maybridge3_002120 FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]c4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A09 compound treatment 0.214 -0.0264 -1.3 0.219 -0.0184 -1.01 -1.6323 -0.9919 1136955 Maybridge3_002121 COC(=O)C1=C(CSC1)Nc2ccccc2NC(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A10 compound treatment 0.224 -0.0164 -0.81 0.226 -0.0114 -0.62 -1.0117 -0.9917 2076278 Maybridge3_002122 OC(=O)CC1SC(=NC1=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A11 compound treatment 0.215 -0.0254 -1.25 0.225 -0.0124 -0.68 -1.3648 -0.9583 1510621 Maybridge3_002123 Cc1cc(C(=O)NCc2ccc3OCOc3c2)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A12 compound treatment 0.222 -0.0184 -0.91 0.229 -0.00835 -0.46 -0.9652 -0.95 1540339 Maybridge3_002124 O=C(N1CCN(CC1)c2ncccc2C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A13 compound treatment 0.21 -0.0304 -1.5 0.236 -0.00135 -0.07 -1.1129 -0.7412 2076279 Maybridge3_002125 CC(C)NC(=O)CSc1nccc(n1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A14 compound treatment 0.214 -0.0264 -1.3 0.23 -0.00735 -0.4 -1.2058 -0.8847 1172579 Maybridge3_002126 COc1ccc(OCC(O)CNC(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A15 compound treatment 0.218 -0.0224 -1.1 0.208 -0.0294 -1.61 -1.9191 -0.9831 1271788 Maybridge3_002127 CC(C)c1ccc(NC(=O)CSc2ncccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A16 compound treatment 0.206 -0.0344 -1.7 0.224 -0.0134 -0.73 -1.7178 -0.9294 2076280 Maybridge3_002128 OC(=O)CC1(CC(=O)Nc2ccc(C#N)cc2)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A17 compound treatment 0.248 0.00763 0.38 0.255 0.0176 0.97 0.9507 0.9156 1121883 Maybridge3_002129 OC(=O)c1ccccc1C(=O)Nc2ncccc2OCc3ccc(Cl)c(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A18 compound treatment 0.241 6.33E-4 0.03 0.208 -0.0294 -1.61 -1.116 -0.6932 2076281 Maybridge3_002130 Clc1cc(c(Cl)s1)S(=O)(=O)Nc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A19 compound treatment 0.231 -0.00937 -0.46 0.204 -0.0334 -1.83 -1.6202 -0.8589 2076282 Maybridge3_002131 Cc1cc(no1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)cc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A20 compound treatment 0.21 -0.0304 -1.5 0.207 -0.0304 -1.66 -2.2372 -0.9986 1335869 Maybridge3_002132 OC(=O)CCC(=O)NCc1c(Cl)cccc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A21 compound treatment 0.225 -0.0154 -0.76 0.204 -0.0334 -1.83 -1.8298 -0.9241 1170358 Maybridge3_002133 COc1ccc(CNC(=O)c2cc(oc2C)C(C)(C)C)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A22 compound treatment 0.25 0.00963 0.48 0.246 0.00865 0.47 0.6716 1.0 1482278 Maybridge3_002134 CCc1ccn2cc(nc2c1)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A23 mock treatment 0.21 -0.0304 -1.5 0.229 -0.00835 -0.46 -1.3843 -0.8828 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 A24 mock treatment 0.204 -0.0364 -1.8 0.174 -0.0634 -3.47 -3.7261 -0.9529 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B01 compound treatment 0.203 -0.0374 -1.85 0.212 -0.0254 -1.39 -2.2878 -0.9903 1234783 Maybridge3_002135 Cc1ccc(CSCC(=O)NCc2ccc3OCOc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B02 compound treatment 0.25 0.00963 0.48 0.245 0.00765 0.42 0.6328 0.998 1677511 Maybridge3_002136 Cc1nnsc1C(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B03 compound treatment 0.252 0.0116 0.57 0.255 0.0176 0.97 1.0903 0.969 1701952 Maybridge3_002137 Cc1cccc(NC(=O)C2CCC2)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B04 compound treatment 0.251 0.0106 0.53 0.253 0.0156 0.86 0.9779 0.9723 1506143 Maybridge3_002138 OC(=O)CCC(=O)Nc1ccccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B05 compound treatment 0.262 0.0216 1.07 0.256 0.0186 1.02 1.4783 0.9998 1306599 Maybridge3_002139 Cc1cccc2nc(oc(=O)c12)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B06 compound treatment 0.256 0.0156 0.77 0.255 0.0176 0.97 1.23 0.9937 2076283 Maybridge3_002140 FC(F)(F)c1ccnc(c1)N2CCN(Cc3c[nH]c4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B07 compound treatment 0.251 0.0106 0.53 0.248 0.0106 0.58 0.784 0.9986 2076284 Maybridge3_002141 Cc1nc(ccc1C(=O)NC2CCCc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B08 compound treatment 0.26 0.0196 0.97 0.262 0.0246 1.35 1.6411 0.9867 2076285 Maybridge3_002142 COc1ccc(SCCc2nnc(o2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B09 compound treatment 0.26 0.0196 0.97 0.263 0.0256 1.41 1.6798 0.9835 1191136 Maybridge3_002143 COc1ccccc1C2CCN(Cc3c[nH]nc3c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B10 compound treatment 0.251 0.0106 0.53 0.251 0.0136 0.75 0.9003 0.985 1161266 Maybridge3_002144 Cn1nccc1NC(=O)CCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B11 compound treatment 0.259 0.0186 0.92 0.256 0.0186 1.02 1.3735 0.9986 2076286 Maybridge3_002145 CC1Sc2ccc(Cl)cc2-c3nc(ncc13)n4cccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B12 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 2076287 Maybridge3_002146 O=S(=O)(N(CCC#N)Cc1cccs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B13 compound treatment 0.25 0.00963 0.48 0.258 0.0206 1.13 1.1368 0.9258 1507733 Maybridge3_002147 Cn1cnc(c1)S(=O)(=O)N2CCN(CC2)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B14 compound treatment 0.249 0.00863 0.43 0.254 0.0166 0.91 0.9468 0.9399 1732250 Maybridge3_002148 COc1cc2CCN(C(C)c2cc1OC)C(=O)CSCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B15 compound treatment 0.253 0.0126 0.62 0.253 0.0156 0.86 1.0477 0.9878 1502412 Maybridge3_002149 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B16 compound treatment 0.257 0.0166 0.82 0.256 0.0186 1.02 1.3037 0.9941 1660311 Maybridge3_002150 Cc1onc(c1C(=O)Oc2ccccc2N3CCOCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B17 compound treatment 0.259 0.0186 0.92 0.259 0.0216 1.19 1.4898 0.9921 1233574 Maybridge3_002151 OC(CNC(=O)c1cccs1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B18 compound treatment 0.246 0.00563 0.28 0.252 0.0146 0.8 0.7645 0.8996 1468929 Maybridge3_002152 OC(=O)CCCC(=O)NC1CCCCNC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B19 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 1177295 Maybridge3_002153 CCc1ccc(cc1)S(=O)(=O)NCC(O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B20 compound treatment 0.281 0.0406 2.01 0.278 0.0406 2.23 2.9947 0.9986 1132169 Maybridge3_002154 CCOC(=O)c1cc(C)nc(N2CCCCC2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B21 compound treatment 0.252 0.0116 0.57 0.248 0.0106 0.58 0.8189 1.0 1274928 Maybridge3_002155 COc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B22 compound treatment 0.244 0.00363 0.18 0.246 0.00865 0.47 0.462 0.9116 1310319 Maybridge3_002156 OC(=O)C1CCN(CC1)C(=O)C2CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B23 mock treatment 0.247 0.00663 0.33 0.251 0.0136 0.75 0.7607 0.9313 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 B24 mock treatment 0.218 -0.0224 -1.1 0.214 -0.0234 -1.28 -1.6865 -0.9973 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C01 compound treatment 0.234 -0.00637 -0.31 0.205 -0.0324 -1.77 -1.4767 -0.8197 2076288 Maybridge3_002157 FC(F)(F)c1cc(c2cccs2)n(n1)c3ccc(NC(=O)c4ccno4)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C02 compound treatment 0.238 -0.00237 -0.12 0.24 0.00265 0.15 0.0199 0.1069 1226796 Maybridge3_002158 CC(C)(CC(=O)O)CC(=O)Nc1ccc(CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C03 compound treatment 0.242 0.00163 0.08 0.246 0.00865 0.47 0.3922 0.8157 1738736 Maybridge3_002159 OC(CSc1ccccc1)CN2CCN(Cc3ccc4OCOc4c3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C04 compound treatment 0.231 -0.00937 -0.46 0.234 -0.00335 -0.18 -0.4571 -0.9184 2076289 Maybridge3_002160 Cn1nc(c(c1NS(=O)(=O)C)c2ccccc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C05 compound treatment 0.234 -0.00637 -0.31 0.236 -0.00135 -0.07 -0.2748 -0.8508 1398560 Maybridge3_002161 Cn1nc(cc1C(=O)NCc2cc(F)cc3COCOc23)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C06 compound treatment 0.246 0.00563 0.28 0.248 0.0106 0.58 0.6094 0.9425 1528878 Maybridge3_002162 N#Cc1ccc(cc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C07 compound treatment 0.239 -0.00137 -0.07 0.241 0.00365 0.2 0.0936 0.4437 1608967 Maybridge3_002163 Cn1cnc(c1)S(=O)(=O)NCc2csc3ccc(Cl)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C08 compound treatment 0.247 0.00663 0.33 0.248 0.0106 0.58 0.6443 0.9627 1720976 Maybridge3_002164 COc1ccc2N(Cc3c[nH]c4ccccc34)CCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C09 compound treatment 0.24 -3.67E-4 -0.02 0.244 0.00665 0.36 0.2448 0.6711 2076290 Maybridge3_002165 Cc1ccsc1CNC(=O)c2sccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C10 compound treatment 0.263 0.0226 1.12 0.262 0.0246 1.35 1.7458 0.9956 1601798 Maybridge3_002166 OC(=O)CC1SC(=NC1=O)c2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C11 compound treatment 0.236 -0.00437 -0.22 0.235 -0.00235 -0.13 -0.2438 -0.9699 1585476 Maybridge3_002167 Cc1cc(NC(=O)c2cc(C)oc2C)on1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C12 compound treatment 0.246 0.00563 0.28 0.244 0.00665 0.36 0.4543 0.9911 1530641 Maybridge3_002168 COc1cccc(c1)C(=O)N2CCN(CC2)c3ncccc3C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C13 compound treatment 0.271 0.0306 1.51 0.297 0.0596 3.27 3.3821 0.9386 1701371 Maybridge3_002169 O=C(CSc1nccc(n1)c2cccs2)c3ccc4OCCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C14 compound treatment 0.24 -3.67E-4 -0.02 0.24 0.00265 0.15 0.0898 0.6141 2076291 Maybridge3_002170 COc1ccc(OCC(O)CNC(=O)c2ccc(nc2C)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C15 compound treatment 0.24 -3.67E-4 -0.02 0.239 0.00165 0.09 0.051 0.5541 2076292 Maybridge3_002171 Fc1ccc(cc1)S(=O)(=O)CCSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C16 compound treatment 0.247 0.00663 0.33 0.244 0.00665 0.36 0.4893 0.9986 1175839 Maybridge3_002172 O=C(Nc1ccc(C#N)cc1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C17 compound treatment 0.26 0.0196 0.97 0.262 0.0246 1.35 1.6411 0.9867 1297760 Maybridge3_002173 OC(=O)CCC(=O)Nc1ncccc1OCc2ccc(Cl)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C18 compound treatment 0.246 0.00563 0.28 0.244 0.00665 0.36 0.4543 0.9911 1183722 Maybridge3_002174 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C19 compound treatment 0.248 0.00763 0.38 0.247 0.00965 0.53 0.6405 0.9862 1717386 Maybridge3_002175 Cc1csc(NC(=O)COCC(=O)O)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C20 compound treatment 0.24 -3.67E-4 -0.02 0.24 0.00265 0.15 0.0898 0.6141 1161854 Maybridge3_002176 COc1ccc(Oc2cccc(Cl)c2CNC(=O)CCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C21 compound treatment 0.245 0.00463 0.23 0.243 0.00565 0.31 0.3807 0.9889 1281730 Maybridge3_002177 Cc1oc(cc1C(=O)Nc2ccc(F)cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C22 compound treatment 0.236 -0.00437 -0.22 0.235 -0.00235 -0.13 -0.2438 -0.9699 1668550 Maybridge3_002178 CC1(C)CCc2cc(CN3CCN(Cc4ccccc4)CC3)ccc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C23 mock treatment 0.234 -0.00637 -0.31 0.231 -0.00635 -0.35 -0.4687 -0.9987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 C24 mock treatment 0.231 -0.00937 -0.46 0.214 -0.0234 -1.28 -1.2325 -0.9053 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D01 compound treatment 0.232 -0.00837 -0.41 0.21 -0.0274 -1.5 -1.3527 -0.8695 1252318 Maybridge3_002179 O=S(=O)(Nc1ccc2ccccc2n1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D02 compound treatment 0.242 0.00163 0.08 0.246 0.00865 0.47 0.3922 0.8157 1429002 Maybridge3_002180 CC(C)(CC(=O)O)CC(=O)N1CCN(CC1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D03 compound treatment 0.254 0.0136 0.67 0.251 0.0136 0.75 1.0051 0.9986 2076293 Maybridge3_002181 Cc1cccc(NC(=O)C2CCCCC2)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D04 compound treatment 0.253 0.0126 0.62 0.249 0.0116 0.64 0.8926 0.9999 1221498 Maybridge3_002182 OC(=O)CCCC(=O)Nc1ccccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D05 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 2076294 Maybridge3_002183 CCOC(=O)c1c(C)cccc1NC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D06 compound treatment 0.25 0.00963 0.48 0.253 0.0156 0.86 0.9429 0.9613 1560700 Maybridge3_002184 CCc1nc(C)c(CN2CCN(CC2)c3ccc(F)cc3)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D07 compound treatment 0.253 0.0126 0.62 0.256 0.0186 1.02 1.164 0.9719 1223078 Maybridge3_002185 O=S(=O)(NC1CCCc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D08 compound treatment 0.246 0.00563 0.28 0.243 0.00565 0.31 0.4156 0.9986 1558859 Maybridge3_002186 COc1ccc(SCCC(=O)NCc2ccncc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D09 compound treatment 0.252 0.0116 0.57 0.256 0.0186 1.02 1.1291 0.9628 1473771 Maybridge3_002187 OC1(CCN(Cc2c[nH]nc2c3ccccc3)CC1)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D10 compound treatment 0.246 0.00563 0.28 0.248 0.0106 0.58 0.6094 0.9425 1359369 Maybridge3_002188 Cn1nccc1NC(=O)CSCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D11 compound treatment 0.245 0.00463 0.23 0.245 0.00765 0.42 0.4582 0.9594 1313368 Maybridge3_002189 Cc1nc(sc1C(=O)NCc2ccncc2)c3cnccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D12 compound treatment 0.251 0.0106 0.53 0.248 0.0106 0.58 0.784 0.9986 1381496 Maybridge3_002190 Cc1cc(no1)C(=O)N(CCC#N)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D13 compound treatment 0.349 0.109 5.36 0.374 0.137 7.49 9.091 0.9866 2076295 Maybridge3_002191 O=C/1Nc2ccccc2\C1=C\c3c[nH]nc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D14 compound treatment 0.252 0.0116 0.57 0.246 0.00865 0.47 0.7414 0.9954 2076296 Maybridge3_002192 Cc1ccc(COc2ncnc3cc(Cl)ccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D15 compound treatment 0.247 0.00663 0.33 0.248 0.0106 0.58 0.6443 0.9627 1207876 Maybridge3_002193 COc1cc2CCN(C(C)c2cc1OC)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D16 compound treatment 0.266 0.0256 1.27 0.275 0.0376 2.06 2.3546 0.9724 2076297 Maybridge3_002194 Clc1ccc2OCC(=Cc2c1)C(=O)Oc3ccccc3N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D17 compound treatment 0.26 0.0196 0.97 0.26 0.0226 1.24 1.5635 0.9925 1513373 Maybridge3_002195 OC(CNC(=O)c1ccco1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D18 compound treatment 0.26 0.0196 0.97 0.256 0.0186 1.02 1.4084 0.9996 1485084 Maybridge3_002196 Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D19 compound treatment 0.25 0.00963 0.48 0.25 0.0126 0.69 0.8266 0.9831 1710996 Maybridge3_002197 OC(CNS(=O)(=O)c1ccc(s1)c2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D20 compound treatment 0.246 0.00563 0.28 0.247 0.00965 0.53 0.5707 0.955 1187469 Maybridge3_002198 CCOC(=O)C1CCN(CC1)C(=O)c2c(C)onc2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D21 compound treatment 0.25 0.00963 0.48 0.245 0.00765 0.42 0.6328 0.998 1620617 Maybridge3_002199 OC(=O)CC(CC(=O)N1CCOCC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D22 compound treatment 0.245 0.00463 0.23 0.246 0.00865 0.47 0.497 0.9442 1279145 Maybridge3_002200 O=C(NC1CCCCNC1=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D23 mock treatment 0.243 0.00263 0.13 0.245 0.00765 0.42 0.3884 0.8849 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 D24 mock treatment 0.237 -0.00337 -0.17 0.231 -0.00635 -0.35 -0.3639 -0.9427 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E01 compound treatment 0.245 0.00463 0.23 0.243 0.00565 0.31 0.3807 0.9889 1643294 Maybridge3_002201 COc1ccccc1C2CCN(Cc3cccc(c3)C(=O)N4CCC(O)CC4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E02 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 1368856 Maybridge3_002202 OC(=O)CCCC(=O)Nc1ccc(CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E03 compound treatment 0.257 0.0166 0.82 0.255 0.0176 0.97 1.2649 0.9967 2076298 Maybridge3_002203 OC(CN1CCN(Cc2ccc3OCOc3c2)CC1)Oc4ccc(cc4)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E04 compound treatment 0.248 0.00763 0.38 0.244 0.00665 0.36 0.5242 0.9999 1313338 Maybridge3_002204 CCc1ccnc(NC(=O)c2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E05 compound treatment 0.283 0.0426 2.11 0.272 0.0346 1.9 2.8319 0.9987 1541216 Maybridge3_002205 Fc1cc(CNC(=O)c2sc3ccccc3c2Cl)c4OCOCc4c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E06 compound treatment 0.259 0.0186 0.92 0.265 0.0276 1.52 1.7225 0.9714 2076299 Maybridge3_002206 FC(F)(F)Oc1ccc(cc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E07 compound treatment 0.268 0.0276 1.36 0.27 0.0326 1.79 2.2306 0.991 1387863 Maybridge3_002207 Clc1ccc2scc(CNS(=O)(=O)c3cccs3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E08 compound treatment 0.275 0.0346 1.71 0.282 0.0446 2.45 2.9402 0.9846 1324463 Maybridge3_002208 COc1cc(OCc2ccccc2)ccc1CN3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E09 compound treatment 0.248 0.00763 0.38 0.249 0.0116 0.64 0.718 0.9684 1647127 Maybridge3_002209 COc1ccc(cc1)n2ncc(C(=O)NCc3sccc3C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E10 compound treatment 0.279 0.0386 1.91 0.27 0.0326 1.79 2.6147 0.9995 2076300 Maybridge3_002210 Clc1ccc(c(Cl)c1)S(=O)(=O)CCSc2nccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E11 compound treatment 0.251 0.0106 0.53 0.245 0.00765 0.42 0.6677 0.9938 1580205 Maybridge3_002211 Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E12 compound treatment 0.255 0.0146 0.72 0.255 0.0176 0.97 1.1951 0.9897 2076301 Maybridge3_002212 Cn1ccnc1SCC(=O)N2CCc3c([nH]c4ccccc34)C2C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E13 compound treatment 0.298 0.0576 2.85 0.295 0.0576 3.16 4.2474 0.9986 2076302 Maybridge3_002213 O=C(CSc1nccc(n1)c2cccs2)c3cc(no3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E14 compound treatment 0.28 0.0396 1.96 0.277 0.0396 2.17 2.921 0.9986 2076303 Maybridge3_002214 COc1ccc(OCC(O)CNC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E15 compound treatment 0.255 0.0146 0.72 0.258 0.0206 1.13 1.3114 0.9765 2076304 Maybridge3_002215 Cc1ccc(cc1)S(=O)(=O)CCSc2ncccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E16 compound treatment 0.254 0.0136 0.67 0.252 0.0146 0.8 1.0438 0.9962 1715872 Maybridge3_002216 O=C(Nc1ccc(C#N)cc1)C2CCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E17 compound treatment 0.261 0.0206 1.02 0.257 0.0196 1.08 1.4821 0.9996 1685639 Maybridge3_002217 CCc1ccnc(NC(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E18 compound treatment 0.261 0.0206 1.02 0.258 0.0206 1.13 1.5209 0.9986 1420319 Maybridge3_002218 Cn1cnc(c1)S(=O)(=O)Nc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E19 compound treatment 0.302 0.0616 3.04 0.297 0.0596 3.27 4.4646 0.9994 2076305 Maybridge3_002219 Cc1csc(NC(=O)CC(C)(C)CC(=O)O)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E20 compound treatment 0.252 0.0116 0.57 0.252 0.0146 0.8 0.974 0.9865 1473463 Maybridge3_002220 COc1ccc(OCC(O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E21 compound treatment 0.267 0.0266 1.32 0.266 0.0286 1.57 2.0406 0.9961 1454184 Maybridge3_002221 Cc1oc(cc1C(=O)NCc2ccc3OCOc3c2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E22 compound treatment 0.252 0.0116 0.57 0.256 0.0186 1.02 1.1291 0.9628 1137076 Maybridge3_002222 Fc1ccc(cc1)N2CCN(Cc3c[nH]nc3c4ccc(F)cc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E23 mock treatment 0.244 0.00363 0.18 0.246 0.00865 0.47 0.462 0.9116 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 E24 mock treatment 0.244 0.00363 0.18 0.243 0.00565 0.31 0.3457 0.9664 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F01 compound treatment 0.242 0.00163 0.08 0.218 -0.0194 -1.06 -0.6934 -0.6515 1516380 Maybridge3_002223 O=S(=O)(Nc1ccc2ccccc2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F02 compound treatment 0.253 0.0126 0.62 0.253 0.0156 0.86 1.0477 0.9878 1330846 Maybridge3_002224 OC(=O)CCC(=O)N1CCN(CC1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F03 compound treatment 0.261 0.0206 1.02 0.259 0.0216 1.19 1.5597 0.9971 1226869 Maybridge3_002225 Cc1cccc(NC(=O)c2cccnc2Oc3ccccc3)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F04 compound treatment 0.264 0.0236 1.17 0.263 0.0256 1.41 1.8195 0.9957 1288157 Maybridge3_002226 COc1ccccc1N2CCN(Cc3c[nH]c(n3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F05 compound treatment 0.288 0.0476 2.35 0.29 0.0526 2.89 3.7043 0.9948 1631006 Maybridge3_002227 CCc1ccn2cc(nc2c1)c3ccc(s3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F06 compound treatment 0.257 0.0166 0.82 0.256 0.0186 1.02 1.3037 0.9941 1655052 Maybridge3_002228 COc1ccc(OCC2CN=C(O2)c3ccccc3CO)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F07 compound treatment 0.264 0.0236 1.17 0.266 0.0286 1.57 1.9358 0.9893 1468699 Maybridge3_002229 CC(C)(CC(=O)O)CC(=O)Nc1ccc2ccccc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F08 compound treatment 0.273 0.0326 1.61 0.268 0.0306 1.68 2.3276 0.9998 1135342 Maybridge3_002230 Clc1cc(C(=O)Nc2ccc3ccccc3n2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F09 compound treatment 0.259 0.0186 0.92 0.254 0.0166 0.91 1.296 1.0 1644086 Maybridge3_002231 C(N1CCc2ccccc2C1)c3c[nH]nc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F10 compound treatment 0.255 0.0146 0.72 0.258 0.0206 1.13 1.3114 0.9765 1149463 Maybridge3_002232 Cn1nccc1NC(=O)CCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F11 compound treatment 0.246 0.00563 0.28 0.244 0.00665 0.36 0.4543 0.9911 1623337 Maybridge3_002233 Cc1nc(sc1C(=O)N(Cc2cccs2)Cc3ccccc3)c4cnccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F12 compound treatment 0.249 0.00863 0.43 0.246 0.00865 0.47 0.6366 0.9986 2076306 Maybridge3_002234 FC(F)(F)c1ccnc(n1)N2CCC(CC2)C(=O)N(CCC#N)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F13 compound treatment 0.259 0.0186 0.92 0.266 0.0286 1.57 1.7612 0.9676 2076307 Maybridge3_002235 O=C(NCCCN1CCOCC1)c2ccccc2NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F14 compound treatment 0.257 0.0166 0.82 0.258 0.0206 1.13 1.3812 0.9876 1263314 Maybridge3_002236 Clc1ccc2c(Oc3ccc(NC(=O)c4ccccc4)cn3)ncnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F15 compound treatment 0.258 0.0176 0.87 0.256 0.0186 1.02 1.3386 0.9968 1205269 Maybridge3_002237 COc1cc2CCN(C(C)c2cc1OC)C(=O)CCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F16 compound treatment 0.26 0.0196 0.97 0.256 0.0186 1.02 1.4084 0.9996 1402282 Maybridge3_002238 CCOC(=O)C1CCN(CC1)C(=O)c2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F17 compound treatment 0.265 0.0246 1.22 0.263 0.0256 1.41 1.8544 0.9974 1641719 Maybridge3_002239 OC(CNC(=O)c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F18 compound treatment 0.27 0.0296 1.46 0.258 0.0206 1.13 1.8352 0.9919 1590616 Maybridge3_002240 Cc1cc(=O)oc2cc(NS(=O)(=O)c3cccs3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F19 compound treatment 0.257 0.0166 0.82 0.26 0.0226 1.24 1.4588 0.9799 2076308 Maybridge3_002241 COc1ccc2nc3CCCCc3nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F20 compound treatment 0.255 0.0146 0.72 0.253 0.0156 0.86 1.1175 0.9964 1251609 Maybridge3_002242 CCOC(=O)C1CCN(CC1)C(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F21 compound treatment 0.255 0.0146 0.72 0.255 0.0176 0.97 1.1951 0.9897 1543672 Maybridge3_002243 Cn1nc(cc1NC(=O)CC(CC(=O)O)c2ccccc2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F22 compound treatment 0.255 0.0146 0.72 0.251 0.0136 0.75 1.04 0.9998 1684359 Maybridge3_002244 O=C(NC1CCCCNC1=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F23 mock treatment 0.248 0.00763 0.38 0.249 0.0116 0.64 0.718 0.9684 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 F24 mock treatment 0.25 0.00963 0.48 0.24 0.00265 0.15 0.4389 0.8826 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G01 compound treatment 0.24 -3.67E-4 -0.02 0.237 -3.55E-4 -0.02 -0.0266 -0.9994 1431425 Maybridge3_002245 OC1CCN(CC1)C(=O)c2cccc(CN3CCN(Cc4ccccc4)CC3)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G02 compound treatment 0.251 0.0106 0.53 0.237 -3.55E-4 -0.02 0.3575 0.6804 1570835 Maybridge3_002246 OC(=O)COCC(=O)Nc1ccc(CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G03 compound treatment 0.247 0.00663 0.33 0.246 0.00865 0.47 0.5668 0.9837 1224109 Maybridge3_002247 Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1NS(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G04 compound treatment 0.251 0.0106 0.53 0.25 0.0126 0.69 0.8616 0.9906 1347697 Maybridge3_002248 CCc1ccnc(NC(=O)CCCC(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G05 compound treatment 0.268 0.0276 1.36 0.262 0.0246 1.35 1.9204 1.0 1126176 Maybridge3_002249 Fc1cc(CNS(=O)(=O)c2ccc(s2)c3ccccn3)c4OCOCc4c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G06 compound treatment 0.257 0.0166 0.82 0.246 0.00865 0.47 0.916 0.9659 2076309 Maybridge3_002250 Cn1c(SCC(=O)N(C2CCCCC2)c3ccccc3)nnc1c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G07 compound treatment 0.259 0.0186 0.92 0.26 0.0226 1.24 1.5286 0.9891 1358894 Maybridge3_002251 Cc1nnsc1C(=O)NCc2csc3ccc(Cl)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G08 compound treatment 0.257 0.0166 0.82 0.26 0.0226 1.24 1.4588 0.9799 1475705 Maybridge3_002252 Cc1oc(cc1C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G09 compound treatment 0.259 0.0186 0.92 0.255 0.0176 0.97 1.3347 0.9997 2076310 Maybridge3_002253 Cc1ccsc1Cn2c(C)ccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G10 compound treatment 0.256 0.0156 0.77 0.25 0.0126 0.69 1.0361 0.9986 1486911 Maybridge3_002254 OC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G11 compound treatment 0.246 0.00563 0.28 0.251 0.0136 0.75 0.7257 0.9092 1730573 Maybridge3_002255 Cc1cc(C(=O)Nc2ccccc2N3CCCCC3)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G12 compound treatment 0.263 0.0226 1.12 0.258 0.0206 1.13 1.5907 1.0 1198521 Maybridge3_002256 Fc1ccc(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G13 compound treatment 0.247 0.00663 0.33 0.251 0.0136 0.75 0.7607 0.9313 2076311 Maybridge3_002257 Cc1cccc(Cn2c(=O)oc3ccc(C)cc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G14 compound treatment 0.253 0.0126 0.62 0.252 0.0146 0.8 1.0089 0.9922 1593809 Maybridge3_002258 COc1ccc(OCC(O)CNC(=O)C2CCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G15 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 1177532 Maybridge3_002259 Fc1ccc(cc1)S(=O)(=O)CCn2c(=O)oc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G16 compound treatment 0.267 0.0266 1.32 0.26 0.0226 1.24 1.8079 0.9996 1706575 Maybridge3_002260 Clc1cc(c(Cl)s1)S(=O)(=O)Nc2ccccc2C(=O)NCC3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G17 compound treatment 0.279 0.0386 1.91 0.293 0.0556 3.05 3.5064 0.9744 2076312 Maybridge3_002261 Cc1cc(ccc1Cl)C(=O)CSc2nccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G18 compound treatment 0.26 0.0196 0.97 0.26 0.0226 1.24 1.5635 0.9925 2076313 Maybridge3_002262 OC(=O)CCCC(=O)Nc1ccc(cc1)n2ccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G19 compound treatment 0.25 0.00963 0.48 0.252 0.0146 0.8 0.9042 0.9688 2076314 Maybridge3_002263 Cc1csc(NC(=O)CCCC(=O)O)c1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G20 compound treatment 0.254 0.0136 0.67 0.248 0.0106 0.58 0.8888 0.9975 1529442 Maybridge3_002264 COc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G21 compound treatment 0.251 0.0106 0.53 0.251 0.0136 0.75 0.9003 0.985 1540060 Maybridge3_002265 CCOC(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G22 compound treatment 0.253 0.0126 0.62 0.254 0.0166 0.91 1.0865 0.9828 1580458 Maybridge3_002266 Fc1ccc(cc1)C(=O)C2CCN(Cc3c[nH]nc3c4ccc(F)cc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G23 mock treatment 0.244 0.00363 0.18 0.244 0.00665 0.36 0.3845 0.9467 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 G24 mock treatment 0.244 0.00363 0.18 0.242 0.00465 0.25 0.307 0.9853 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H01 compound treatment 0.248 0.00763 0.38 0.241 0.00365 0.2 0.4079 0.956 1141088 Maybridge3_002267 O=C(Nc1ccc2ccccc2n1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H02 compound treatment 0.253 0.0126 0.62 0.247 0.00965 0.53 0.8151 0.9966 1433038 Maybridge3_002268 OC(=O)CCCC(=O)N1CCN(CC1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H03 compound treatment 0.253 0.0126 0.62 0.256 0.0186 1.02 1.164 0.9719 1490659 Maybridge3_002269 Cc1cccc(NC(=O)c2ccccc2)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H04 compound treatment 0.262 0.0216 1.07 0.259 0.0216 1.19 1.5946 0.9986 2076315 Maybridge3_002270 FC(F)(F)c1ccnc(c1)N2CCN(Cc3c[nH]c(n3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H05 compound treatment 0.28 0.0396 1.96 0.283 0.0456 2.5 3.1536 0.9926 1400360 Maybridge3_002271 CCc1ccn2cc(Nc3ccccc3Cl)nc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H06 compound treatment 0.254 0.0136 0.67 0.25 0.0126 0.69 0.9663 0.9999 1403231 Maybridge3_002272 OC(=O)C1=C(CCCC1)C(=O)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H07 compound treatment 0.258 0.0176 0.87 0.259 0.0216 1.19 1.4549 0.9884 1373704 Maybridge3_002273 OC(=O)CC(CC(=O)Oc1ccccc1N2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H08 compound treatment 0.263 0.0226 1.12 0.261 0.0236 1.3 1.707 0.9973 1468822 Maybridge3_002274 CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H09 compound treatment 0.253 0.0126 0.62 0.257 0.0196 1.08 1.2028 0.9663 2076316 Maybridge3_002275 COc1ccc(cc1)c2n[nH]cc2CN3CCN(CC3)c4ncc(cc4Cl)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H10 compound treatment 0.259 0.0186 0.92 0.25 0.0126 0.69 1.1409 0.9903 1568822 Maybridge3_002276 Cn1nccc1NC(=O)CC(CC(=O)O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H11 compound treatment 0.249 0.00863 0.43 0.252 0.0146 0.8 0.8693 0.9561 1163929 Maybridge3_002277 CN1CCN(CC1)C(=O)c2sc(nc2C)c3cnccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H12 compound treatment 0.255 0.0146 0.72 0.252 0.0146 0.8 1.0788 0.9986 1620795 Maybridge3_002278 Clc1ccc(cc1)C(=O)N(CCC#N)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H13 compound treatment 0.254 0.0136 0.67 0.253 0.0156 0.86 1.0826 0.9928 1711589 Maybridge3_002279 CCCc1cnc(Oc2ncnc3cc(Cl)ccc23)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H14 compound treatment 0.252 0.0116 0.57 0.253 0.0156 0.86 1.0128 0.981 2076317 Maybridge3_002280 OC(=O)C1CCCC=C1C(=O)Nc2ccc(CC#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H15 compound treatment 0.25 0.00963 0.48 0.249 0.0116 0.64 0.7879 0.9895 2076318 Maybridge3_002281 Fc1ccc(cc1)n2nc(cc2c3cccs3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H16 compound treatment 0.26 0.0196 0.97 0.255 0.0176 0.97 1.3697 1.0 2076319 Maybridge3_002282 CCc1nc(C)c(CN2CCN(CC2)c3ccc(cn3)C(F)(F)F)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H17 compound treatment 0.257 0.0166 0.82 0.263 0.0256 1.41 1.5751 0.9672 1564036 Maybridge3_002283 Cc1ccc(cc1)C(=O)NCC(O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H18 compound treatment 0.257 0.0166 0.82 0.251 0.0136 0.75 1.1098 0.9989 1553721 Maybridge3_002284 Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc4OCCc4c3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H19 compound treatment 0.252 0.0116 0.57 0.257 0.0196 1.08 1.1679 0.9567 2076320 Maybridge3_002285 OC(=O)c1ccc(Oc2ccccc2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H20 compound treatment 0.25 0.00963 0.48 0.25 0.0126 0.69 0.8266 0.9831 1475536 Maybridge3_002286 CCOC(=O)C1CCN(CC1)C(=O)c2sc(nc2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H21 compound treatment 0.255 0.0146 0.72 0.249 0.0116 0.64 0.9625 0.9981 1500661 Maybridge3_002287 Cc1ccc2cc(NC(=O)CC(CC(=O)O)c3ccccc3)ccc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H22 compound treatment 0.247 0.00663 0.33 0.247 0.00965 0.53 0.6056 0.9735 2076321 Maybridge3_002288 Cc1nc(ccc1C(=O)NC2CCCCNC2=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H23 mock treatment 0.252 0.0116 0.57 0.246 0.00865 0.47 0.7414 0.9954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 H24 mock treatment 0.241 6.33E-4 0.03 0.251 0.0136 0.75 0.5511 0.736 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I01 compound treatment 0.255 0.0146 0.72 0.253 0.0156 0.86 1.1175 0.9964 1639674 Maybridge3_002289 COc1ccccc1C2CCN(Cc3c[nH]c4ccccc34)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I02 compound treatment 0.256 0.0156 0.77 0.238 6.45E-4 0.04 0.5709 0.7387 1627756 Maybridge3_002290 OC(=O)CCC(=O)Nc1ccc(CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I03 compound treatment 0.262 0.0216 1.07 0.264 0.0266 1.46 1.7884 0.9882 2076322 Maybridge3_002291 Cc1nnsc1C(=O)Nc2nc(c(C)s2)c3ccc(C)c(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I04 compound treatment 0.252 0.0116 0.57 0.247 0.00965 0.53 0.7802 0.9991 1123023 Maybridge3_002292 CCc1ccnc(NC(=O)CC2(CC(=O)O)CCCC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I05 compound treatment 0.254 0.0136 0.67 0.253 0.0156 0.86 1.0826 0.9928 2076323 Maybridge3_002293 O=S(=O)(Nc1ccc2OCCOc2c1)c3ccc(s3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I06 compound treatment 0.26 0.0196 0.97 0.254 0.0166 0.91 1.3309 0.9995 1249886 Maybridge3_002294 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3cc(C)on3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I07 compound treatment 0.278 0.0376 1.86 0.253 0.0156 0.86 1.9206 0.9384 1389401 Maybridge3_002295 Clc1ccc2scc(CNC(=O)c3ccno3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I08 compound treatment 0.25 0.00963 0.48 0.254 0.0166 0.91 0.9817 0.9539 1700532 Maybridge3_002296 COc1ccccc1N2CCN(CC2)C(=O)c3cc(oc3C)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I09 compound treatment 0.258 0.0176 0.87 0.259 0.0216 1.19 1.4549 0.9884 1456793 Maybridge3_002297 Cc1onc(c1CN2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I10 compound treatment 0.259 0.0186 0.92 0.258 0.0206 1.13 1.4511 0.9947 2076324 Maybridge3_002298 CC(C)(CC(=O)O)CC(=O)Nc1cccc(c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I11 compound treatment 0.253 0.0126 0.62 0.251 0.0136 0.75 0.9702 0.9959 1432360 Maybridge3_002299 O=C(Nc1ccccc1c2ccccc2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I12 compound treatment 0.285 0.0446 2.2 0.267 0.0296 1.63 2.7079 0.9888 2076325 Maybridge3_002300 FC(F)(F)C1N(CCc2c1[nH]c3ccccc23)C(=O)CSC4=NCCS4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I13 compound treatment 0.262 0.0216 1.07 0.257 0.0196 1.08 1.517 1.0 1415441 Maybridge3_002301 Cc1ccc2oc(=O)n(CC(=O)N3CCOCC3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I14 compound treatment 0.259 0.0186 0.92 0.255 0.0176 0.97 1.3347 0.9997 1705043 Maybridge3_002302 CC(C)(CC(=O)O)CC(=O)Nc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I15 compound treatment 0.254 0.0136 0.67 0.251 0.0136 0.75 1.0051 0.9986 1187774 Maybridge3_002303 Cc1ccc(cc1)S(=O)(=O)CCn2c(=O)oc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I16 compound treatment 0.261 0.0206 1.02 0.256 0.0186 1.02 1.4434 1.0 1329577 Maybridge3_002304 COc1cc(OCc2ccccc2)ccc1CN3CCN(C)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I17 compound treatment 0.273 0.0326 1.61 0.281 0.0436 2.39 2.8316 0.9815 1621859 Maybridge3_002305 OC(=O)Cc1ccc(s1)C(=O)CSc2nccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I18 compound treatment 0.254 0.0136 0.67 0.256 0.0186 1.02 1.1989 0.9795 2076326 Maybridge3_002306 OC(=O)CC(CC(=O)Nc1ccc(cc1)n2ccc(n2)C(F)(F)F)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I19 compound treatment 0.247 0.00663 0.33 0.245 0.00765 0.42 0.528 0.9926 2076327 Maybridge3_002307 FC(F)(F)c1ccnc(n1)N2CCCN(CC2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I20 compound treatment 0.256 0.0156 0.77 0.26 0.0226 1.24 1.4238 0.9739 1154517 Maybridge3_002308 Cc1cccc(NC(=O)c2cccs2)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I21 compound treatment 0.257 0.0166 0.82 0.263 0.0256 1.41 1.5751 0.9672 1384110 Maybridge3_002309 COC(=O)C1=C(C)NC2=C(C1c3c[nH]cn3)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I22 compound treatment 0.26 0.0196 0.97 0.26 0.0226 1.24 1.5635 0.9925 1686610 Maybridge3_002310 C(N1CCN(CC1)c2ccccn2)c3c[nH]nc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I23 mock treatment 0.251 0.0106 0.53 0.253 0.0156 0.86 0.9779 0.9723 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 I24 mock treatment 0.249 0.00863 0.43 0.251 0.0136 0.75 0.8305 0.9644 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J01 compound treatment 0.243 0.00263 0.13 0.226 -0.0114 -0.62 -0.3483 -0.5476 1594550 Maybridge3_002311 O=C(Nc1ccc2ccccc2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J02 compound treatment 0.245 0.00463 0.23 0.242 0.00465 0.25 0.3419 0.9986 1274925 Maybridge3_002312 COc1ccc(cc1)n2ncc(C(=O)N3CCN(C)CC3)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J03 compound treatment 0.248 0.00763 0.38 0.25 0.0126 0.69 0.7568 0.959 1266203 Maybridge3_002313 Cc1cccc(NC(=O)c2ccco2)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J04 compound treatment 0.264 0.0236 1.17 0.264 0.0266 1.46 1.8583 0.9938 1641975 Maybridge3_002314 Fc1ccc(cc1)N2CCN(Cc3c[nH]c(n3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J05 compound treatment 0.285 0.0446 2.2 0.293 0.0556 3.05 3.7159 0.9873 1332395 Maybridge3_002315 CCc1ccn2cc(nc2c1)c3cc(no3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J06 compound treatment 0.256 0.0156 0.77 0.252 0.0146 0.8 1.1137 0.9998 2076328 Maybridge3_002316 OC(=O)C1=C(CCCC1)C(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J07 compound treatment 0.253 0.0126 0.62 0.254 0.0166 0.91 1.0865 0.9828 1409549 Maybridge3_002317 O=C(Oc1ccccc1N2CCCCC2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J08 compound treatment 0.256 0.0156 0.77 0.254 0.0166 0.91 1.1912 0.9965 1254912 Maybridge3_002318 O=C(Nc1ccc2ccccc2n1)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J09 compound treatment 0.249 0.00863 0.43 0.251 0.0136 0.75 0.8305 0.9644 2076329 Maybridge3_002319 COc1ccc(cc1)c2n[nH]cc2CN3CCN(CC3)c4cc(ccn4)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J10 compound treatment 0.282 0.0416 2.06 0.272 0.0346 1.9 2.797 0.9992 1719999 Maybridge3_002320 OC(=O)C1=C(SCCS1)C(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J11 compound treatment 0.246 0.00563 0.28 0.244 0.00665 0.36 0.4543 0.9911 2076330 Maybridge3_002321 Cc1c(cnn1c2ccc(F)cc2)C(=O)NCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J12 compound treatment 0.254 0.0136 0.67 0.252 0.0146 0.8 1.0438 0.9962 1360075 Maybridge3_002322 Cc1cc(no1)C(=O)N(CCC#N)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J13 compound treatment 0.255 0.0146 0.72 0.247 0.00965 0.53 0.8849 0.9882 1477492 Maybridge3_002323 CCCc1cnc(nc1)N2CCN(CC2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J14 compound treatment 0.251 0.0106 0.53 0.251 0.0136 0.75 0.9003 0.985 1449555 Maybridge3_002324 O=C(Nc1ccccc1)Oc2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J15 compound treatment 0.244 0.00363 0.18 0.243 0.00565 0.31 0.3457 0.9664 1585268 Maybridge3_002325 O=S(=O)(NC1CCCc2ccccc12)c3cccc4nonc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J16 compound treatment 0.255 0.0146 0.72 0.253 0.0156 0.86 1.1175 0.9964 2076331 Maybridge3_002326 CCc1nc(C)c(CN2CCN(CC2)c3cc(ccn3)C(F)(F)F)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J17 compound treatment 0.254 0.0136 0.67 0.258 0.0206 1.13 1.2765 0.9692 1303123 Maybridge3_002327 Cc1cc(sc1C(=O)NCC(O)c2ccccc2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J18 compound treatment 0.252 0.0116 0.57 0.252 0.0146 0.8 0.974 0.9865 1276354 Maybridge3_002328 Cc1ccc2oc(=O)n(CCC#N)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J19 compound treatment 0.254 0.0136 0.67 0.257 0.0196 1.08 1.2377 0.9744 1521483 Maybridge3_002329 CS(=O)(=O)Nc1ccc2OCCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J20 compound treatment 0.253 0.0126 0.62 0.254 0.0166 0.91 1.0865 0.9828 1607287 Maybridge3_002330 OC(=O)C1CCN(CC1)C(=O)c2csc(n2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J21 compound treatment 0.253 0.0126 0.62 0.253 0.0156 0.86 1.0477 0.9878 1245149 Maybridge3_002331 CC(=O)Nc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J22 compound treatment 0.247 0.00663 0.33 0.248 0.0106 0.58 0.6443 0.9627 1739685 Maybridge3_002332 Cc1nnsc1C(=O)NC2CCCCNC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J23 mock treatment 0.243 0.00263 0.13 0.241 0.00365 0.2 0.2333 0.9783 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 J24 mock treatment 0.244 0.00363 0.18 0.241 0.00365 0.2 0.2682 0.9986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K01 compound treatment 0.241 6.33E-4 0.03 0.219 -0.0184 -1.01 -0.6895 -0.6848 1243532 Maybridge3_002333 CCOC(=O)C1CCN(CC1)c2ccccc2CN3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K02 compound treatment 0.25 0.00963 0.48 0.244 0.00665 0.36 0.594 0.9913 1353584 Maybridge3_002334 OC(=O)CC1(CC(=O)Nc2ccc(CC#N)cc2)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K03 compound treatment 0.25 0.00963 0.48 0.251 0.0136 0.75 0.8654 0.9761 2076332 Maybridge3_002335 Cc1nnsc1C(=O)Nc2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K04 compound treatment 0.256 0.0156 0.77 0.246 0.00865 0.47 0.8811 0.9726 2076333 Maybridge3_002336 Cn1c(SCC(=O)Nc2ccccc2)nnc1c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K05 compound treatment 0.26 0.0196 0.97 0.254 0.0166 0.91 1.3309 0.9995 1407188 Maybridge3_002337 CCS(=O)(=O)c1ccc2oc(=O)[nH]c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K06 compound treatment 0.261 0.0206 1.02 0.255 0.0176 0.97 1.4046 0.9997 1478031 Maybridge3_002338 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3ccno3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K07 compound treatment 0.256 0.0156 0.77 0.25 0.0126 0.69 1.0361 0.9986 1222728 Maybridge3_002339 OC(=O)c1cccc(NC(=O)c2ccco2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K08 compound treatment 0.263 0.0226 1.12 0.258 0.0206 1.13 1.5907 1.0 1610240 Maybridge3_002340 O=C(Nc1ccc2OCCOc2c1)c3cccnc3Sc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K09 compound treatment 0.251 0.0106 0.53 0.249 0.0116 0.64 0.8228 0.9953 1508771 Maybridge3_002341 Cc1onc(c1CN2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K10 compound treatment 0.257 0.0166 0.82 0.255 0.0176 0.97 1.2649 0.9967 2076334 Maybridge3_002342 OC(=O)CSCC(=O)Nc1cccc(c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K11 compound treatment 0.256 0.0156 0.77 0.254 0.0166 0.91 1.1912 0.9965 1240646 Maybridge3_002343 OC(=O)CCCC(=O)Nc1ccccc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K12 compound treatment 0.266 0.0256 1.27 0.254 0.0166 0.91 1.5404 0.9871 1478581 Maybridge3_002344 OC(=O)CC1(CC(=O)Nc2cccc(c2)C(=O)O)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K13 compound treatment 0.257 0.0166 0.82 0.244 0.00665 0.36 0.8384 0.9331 1400750 Maybridge3_002345 Cc1ccc2oc(=O)n(CC(=O)C(C)(C)C)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K14 compound treatment 0.257 0.0166 0.82 0.256 0.0186 1.02 1.3037 0.9941 1593396 Maybridge3_002346 OC(=O)CCCC(=O)Nc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K15 compound treatment 0.252 0.0116 0.57 0.252 0.0146 0.8 0.974 0.9865 1708789 Maybridge3_002347 CCc1ccccc1Cn2c(=O)oc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K16 compound treatment 0.272 0.0316 1.56 0.268 0.0306 1.68 2.2927 0.9993 1634242 Maybridge3_002348 COc1cc(OCc2ccccc2)ccc1CN3CCN(CC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K17 compound treatment 0.282 0.0416 2.06 0.289 0.0516 2.83 3.4561 0.9876 2076335 Maybridge3_002349 Clc1cccc(NC(=O)CSc2nccc(n2)c3cccs3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K18 compound treatment 0.255 0.0146 0.72 0.254 0.0166 0.91 1.1563 0.9933 2076336 Maybridge3_002350 OC(=O)CCC(=O)Nc1ccc(cc1)n2ccc(n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K19 compound treatment 0.249 0.00863 0.43 0.253 0.0156 0.86 0.908 0.9479 1703059 Maybridge3_002351 Cn1cnc(c1)S(=O)(=O)NCc2c(Cl)cccc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K20 compound treatment 0.258 0.0176 0.87 0.263 0.0256 1.41 1.61 0.9735 2076337 Maybridge3_002352 Fc1ccc(cc1)S(=O)(=O)CCSCc2csc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K21 compound treatment 0.251 0.0106 0.53 0.254 0.0166 0.91 1.0166 0.9655 1534053 Maybridge3_002353 COC(=O)C1=C(C)NC2=C(C1c3sccc3C)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K22 compound treatment 0.242 0.00163 0.08 0.233 -0.00435 -0.24 -0.1118 -0.4436 1350896 Maybridge3_002354 Cc1cc(=O)[nH]c2cc(nn12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K23 mock treatment 0.246 0.00563 0.28 0.244 0.00665 0.36 0.4543 0.9911 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 K24 mock treatment 0.25 0.00963 0.48 0.242 0.00465 0.25 0.5165 0.9571 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L01 compound treatment 0.244 0.00363 0.18 0.219 -0.0184 -1.01 -0.5848 -0.572 2076338 Maybridge3_002355 Cc1nc(ccc1C(=O)Nc2ccc3ccccc3n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L02 compound treatment 0.252 0.0116 0.57 0.243 0.00565 0.31 0.6251 0.9579 1119993 Maybridge3_002356 COc1ccc(cc1)n2ncc(C(=O)N3CCCCC3)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L03 compound treatment 0.255 0.0146 0.72 0.259 0.0216 1.19 1.3502 0.9717 1417072 Maybridge3_002357 Cc1nnsc1c2nc3cccc(C)c3c(=O)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L04 compound treatment 0.262 0.0216 1.07 0.264 0.0266 1.46 1.7884 0.9882 1577207 Maybridge3_002358 C(N1CCN(Cc2ccccc2)CC1)c3c[nH]c(n3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L05 compound treatment 0.26 0.0196 0.97 0.249 0.0116 0.64 1.137 0.9795 2076339 Maybridge3_002359 CCc1ccnc(NS(=O)(=O)c2ccc3OCCCOc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L06 compound treatment 0.255 0.0146 0.72 0.253 0.0156 0.86 1.1175 0.9964 2076340 Maybridge3_002360 COC(=O)c1ccccc1NC(=O)C2=CCCCC2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L07 compound treatment 0.259 0.0186 0.92 0.258 0.0206 1.13 1.4511 0.9947 1564633 Maybridge3_002361 Cc1nnsc1C(=O)Oc2ccccc2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L08 compound treatment 0.26 0.0196 0.97 0.259 0.0216 1.19 1.5247 0.995 1529955 Maybridge3_002362 COc1ccccc1CC(=O)Nc2ccc3ccccc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L09 compound treatment 0.255 0.0146 0.72 0.256 0.0186 1.02 1.2338 0.9856 1276420 Maybridge3_002363 COc1ccc(OCC(O)CNS(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L10 compound treatment 0.252 0.0116 0.57 0.248 0.0106 0.58 0.8189 1.0 1460829 Maybridge3_002364 Cc1noc(C)c1S(=O)(=O)N(CCC#N)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L11 compound treatment 0.258 0.0176 0.87 0.253 0.0156 0.86 1.2223 1.0 1555306 Maybridge3_002365 CC(C)(CC(=O)O)CC(=O)N1CCN(CC1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L12 compound treatment 0.254 0.0136 0.67 0.252 0.0146 0.8 1.0438 0.9962 1207042 Maybridge3_002366 O=C(N(CCC#N)Cc1cccs1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L13 compound treatment 0.262 0.0216 1.07 0.258 0.0206 1.13 1.5558 0.9996 2076341 Maybridge3_002367 OC(=O)CSCC(=O)N1CCN(CC1)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L14 compound treatment 0.256 0.0156 0.77 0.253 0.0156 0.86 1.1525 0.9986 2076342 Maybridge3_002368 Cc1ccc(NC(=O)Oc2ccccc2N3CCOCC3)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L15 compound treatment 0.255 0.0146 0.72 0.253 0.0156 0.86 1.1175 0.9964 2076343 Maybridge3_002369 Cc1noc(C)c1S(=O)(=O)NC2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L16 compound treatment 0.269 0.0286 1.41 0.262 0.0246 1.35 1.9553 0.9997 1245697 Maybridge3_002370 Cc1[nH]c2ccccc2c1CN3CCc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L17 compound treatment 0.264 0.0236 1.17 0.262 0.0246 1.35 1.7807 0.9973 1235577 Maybridge3_002371 Cc1onc(c1C(=O)NCC(O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L18 compound treatment 0.248 0.00763 0.38 0.253 0.0156 0.86 0.8731 0.9318 1370152 Maybridge3_002372 Cn1cnc(c1)S(=O)(=O)Nc2ccccc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L19 compound treatment 0.257 0.0166 0.82 0.255 0.0176 0.97 1.2649 0.9967 1300179 Maybridge3_002373 Cc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L20 compound treatment 0.252 0.0116 0.57 0.255 0.0176 0.97 1.0903 0.969 1285469 Maybridge3_002374 CCOC(=O)C1CCN(CC1)C(=O)c2cncc(c2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L21 compound treatment 0.255 0.0146 0.72 0.252 0.0146 0.8 1.0788 0.9986 1283721 Maybridge3_002375 COC(=O)c1cscc1NC(=O)CC(CC(=O)O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L22 compound treatment 0.252 0.0116 0.57 0.251 0.0136 0.75 0.9352 0.9915 1147533 Maybridge3_002376 O=C1NCCCCC1NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L23 mock treatment 0.252 0.0116 0.57 0.251 0.0136 0.75 0.9352 0.9915 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 L24 mock treatment 0.244 0.00363 0.18 0.236 -0.00135 -0.07 0.0743 0.3828 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M01 compound treatment 0.226 -0.0144 -0.71 0.219 -0.0184 -1.01 -1.2133 -0.9854 1201169 Maybridge3_002377 Cc1ccc(C)n1c2ccc(cc2)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M02 compound treatment 0.233 -0.00737 -0.36 0.232 -0.00535 -0.29 -0.4648 -0.9944 2076344 Maybridge3_002378 Cn1nc(c(c1NC(=O)c2cccnc2)c3ccccc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M03 compound treatment 0.248 0.00763 0.38 0.244 0.00665 0.36 0.5242 0.9999 1613085 Maybridge3_002379 O=C(Nc1ccc2OCCOc2c1)c3ccno3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M04 compound treatment 0.256 0.0156 0.77 0.249 0.0116 0.64 0.9974 0.9956 1468785 Maybridge3_002380 CNc1nnc(s1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M05 compound treatment 0.283 0.0426 2.11 0.278 0.0406 2.23 3.0645 0.9996 1155852 Maybridge3_002381 Cc1ccc2oc(=O)n(CC(=O)c3ccc(F)cc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M06 compound treatment 0.261 0.0206 1.02 0.251 0.0136 0.75 1.2495 0.9885 1184241 Maybridge3_002382 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3snnc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M07 compound treatment 0.25 0.00963 0.48 0.247 0.00965 0.53 0.7103 0.9986 1633649 Maybridge3_002383 O=C(CSc1ccccc1)NCc2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M08 compound treatment 0.259 0.0186 0.92 0.256 0.0186 1.02 1.3735 0.9986 1283767 Maybridge3_002384 CC(C)(C)c1ccc(cc1)C2=NC(=O)C(CC(=O)O)S2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M09 compound treatment 0.244 0.00363 0.18 0.243 0.00565 0.31 0.3457 0.9664 2076345 Maybridge3_002385 Cc1cc(C(=O)N2CCN(CC2)c3ccc(cn3)C(F)(F)F)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M10 compound treatment 0.239 -0.00137 -0.07 0.24 0.00265 0.15 0.0548 0.3428 1505676 Maybridge3_002386 Clc1cncc(Cl)c1N2CCCN(CC2)S(=O)(=O)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M11 compound treatment 0.257 0.0166 0.82 0.254 0.0166 0.91 1.2261 0.9986 2076346 Maybridge3_002387 O=C(CSc1nccc(n1)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M12 compound treatment 0.253 0.0126 0.62 0.249 0.0116 0.64 0.8926 0.9999 1668895 Maybridge3_002388 OC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M13 compound treatment 0.252 0.0116 0.57 0.245 0.00765 0.42 0.7026 0.988 1168510 Maybridge3_002389 CC(C)(CC(=O)O)CC(=O)N1CCCN(CC1)c2c(Cl)cncc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M14 compound treatment 0.255 0.0146 0.72 0.25 0.0126 0.69 1.0012 0.9998 1433856 Maybridge3_002390 OC(=O)COCC(=O)Nc1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M15 compound treatment 0.25 0.00963 0.48 0.246 0.00865 0.47 0.6716 1.0 1180787 Maybridge3_002391 OC(=O)CSCC(=O)Nc1ccc2COC(=O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M16 compound treatment 0.253 0.0126 0.62 0.249 0.0116 0.64 0.8926 0.9999 2076347 Maybridge3_002392 FC(F)(F)Oc1ccc(cc1)C(=O)Nc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M17 compound treatment 0.252 0.0116 0.57 0.252 0.0146 0.8 0.974 0.9865 1576503 Maybridge3_002393 O=C(CSc1nccc(n1)c2cccs2)c3cc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M18 compound treatment 0.26 0.0196 0.97 0.25 0.0126 0.69 1.1758 0.9865 1614183 Maybridge3_002394 O=C1CCC(=O)N1c2ccc(CC#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M19 compound treatment 0.246 0.00563 0.28 0.248 0.0106 0.58 0.6094 0.9425 1409230 Maybridge3_002395 Cc1oc(cc1C(=O)Nc2ccc(cc2)N3CCOCC3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M20 compound treatment 0.253 0.0126 0.62 0.25 0.0126 0.69 0.9314 0.9986 1117665 Maybridge3_002396 CCc1ccnc(NS(=O)(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M21 compound treatment 0.252 0.0116 0.57 0.25 0.0126 0.69 0.8965 0.9956 1654927 Maybridge3_002397 COC(=O)C1=C(C)NC2=C(C1c3ccco3)C(=O)CC(C2)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M22 compound treatment 0.266 0.0256 1.27 0.282 0.0446 2.45 2.626 0.9529 1245561 Maybridge3_002398 Oc1ccc2occ(C(=O)c3ccco3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M23 mock treatment 0.243 0.00263 0.13 0.246 0.00865 0.47 0.4271 0.869 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 M24 mock treatment 0.239 -0.00137 -0.07 0.228 -0.00935 -0.51 -0.4104 -0.7933 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N01 compound treatment 0.215 -0.0254 -1.25 0.193 -0.0444 -2.43 -2.6054 -0.9524 2076348 Maybridge3_002399 OC(=O)c1ccccc1S(=O)(=O)Nc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N02 compound treatment 0.243 0.00263 0.13 0.244 0.00665 0.36 0.3496 0.9036 1694998 Maybridge3_002400 OC(=O)CSCC(=O)Nc1ccccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N03 compound treatment 0.247 0.00663 0.33 0.242 0.00465 0.25 0.4117 0.9923 1299933 Maybridge3_002401 Cc1cccc2nc(oc(=O)c12)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N04 compound treatment 0.26 0.0196 0.97 0.259 0.0216 1.19 1.5247 0.995 1692071 Maybridge3_002402 CCOc1ccccc1N2CCN(Cc3c[nH]c(n3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N05 compound treatment 0.25 0.00963 0.48 0.245 0.00765 0.42 0.6328 0.998 1459009 Maybridge3_002403 CCc1ccnc(NS(=O)(=O)c2ccc3OCCc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N06 compound treatment 0.251 0.0106 0.53 0.248 0.0106 0.58 0.784 0.9986 2076349 Maybridge3_002404 OC(=O)C1CCCC=C1C(=O)Nc2ccccc2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N07 compound treatment 0.245 0.00463 0.23 0.246 0.00865 0.47 0.497 0.9442 1255298 Maybridge3_002405 CN1CCN(Cc2c[nH]nc2c3ccccc3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N08 compound treatment 0.258 0.0176 0.87 0.25 0.0126 0.69 1.106 0.9936 1431087 Maybridge3_002406 COc1ccc(cc1OC)C(=O)NCc2csc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N09 compound treatment 0.276 0.0356 1.76 0.264 0.0266 1.46 2.2773 0.9957 1382278 Maybridge3_002407 O=C(Nc1ccc(cc1)c2cn3CCSc3n2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N10 compound treatment 0.249 0.00863 0.43 0.243 0.00565 0.31 0.5203 0.9876 1442660 Maybridge3_002408 O=S(=O)(N(CCC#N)Cc1ccccc1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N11 compound treatment 0.245 0.00463 0.23 0.243 0.00565 0.31 0.3807 0.9889 1461744 Maybridge3_002409 OC(=O)CCCC(=O)N1CCN(CC1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N12 compound treatment 0.249 0.00863 0.43 0.247 0.00965 0.53 0.6754 0.9943 1458429 Maybridge3_002410 COc1cc2CCN(C(C)c2cc1OC)C(=O)CC(C)(C)CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N13 compound treatment 0.257 0.0166 0.82 0.252 0.0146 0.8 1.1486 0.9999 1156091 Maybridge3_002411 OC(=O)CSCC(=O)N1CCC2(CC1)OCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N14 compound treatment 0.246 0.00563 0.28 0.245 0.00765 0.42 0.4931 0.9802 1386307 Maybridge3_002412 O=C(Oc1ccccc1N2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N15 compound treatment 0.249 0.00863 0.43 0.247 0.00965 0.53 0.6754 0.9943 1474229 Maybridge3_002413 Cc1noc(C)c1S(=O)(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N16 compound treatment 0.257 0.0166 0.82 0.244 0.00665 0.36 0.8384 0.9331 1263162 Maybridge3_002414 Cc1nc(sc1C(=O)Oc2ccccc2N3CCOCC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N17 compound treatment 0.252 0.0116 0.57 0.254 0.0166 0.91 1.0516 0.9751 1198539 Maybridge3_002415 OC(CNS(=O)(=O)c1cc(Cl)sc1Cl)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N18 compound treatment 0.256 0.0156 0.77 0.254 0.0166 0.91 1.1912 0.9965 2076350 Maybridge3_002416 O=S(=O)(Nc1ccc2ccccc2n1)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N19 compound treatment 0.246 0.00563 0.28 0.246 0.00865 0.47 0.5319 0.9677 1403212 Maybridge3_002417 OC(=O)CC(CC(=O)Nc1ccc(cc1)N2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N20 compound treatment 0.253 0.0126 0.62 0.245 0.00765 0.42 0.7375 0.9813 1562445 Maybridge3_002418 OC(=O)C1CCN(CC1)C(=O)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N21 compound treatment 0.25 0.00963 0.48 0.249 0.0116 0.64 0.7879 0.9895 1225906 Maybridge3_002419 OC(=O)CC(CC(=O)Nc1ccc2ccccc2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N22 compound treatment 0.243 0.00263 0.13 0.246 0.00865 0.47 0.4271 0.869 1271552 Maybridge3_002420 O=C1NCCCCC1NS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N23 mock treatment 0.24 -3.67E-4 -0.02 0.246 0.00865 0.47 0.3224 0.6796 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 N24 mock treatment 0.228 -0.0124 -0.61 0.22 -0.0174 -0.95 -1.1047 -0.977 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O01 compound treatment 0.206 -0.0344 -1.7 0.199 -0.0384 -2.1 -2.687 -0.9943 1014845 Maybridge3_002421 NS(=O)(=O)c1ccc(cc1)n2cccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O02 compound treatment 0.242 0.00163 0.08 0.253 0.0156 0.86 0.6636 0.7702 2076351 Maybridge3_002422 Cn1nc(c(c1NC(=O)c2ccco2)c3ccccc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O03 compound treatment 0.244 0.00363 0.18 0.257 0.0196 1.08 0.8885 0.8137 1646482 Maybridge3_002423 Cc1noc(C)c1C(=O)Nc2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O04 compound treatment 0.239 -0.00137 -0.07 0.25 0.0126 0.69 0.4425 0.6353 2076352 Maybridge3_002424 Fc1ccc(cc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O05 compound treatment 0.262 0.0216 1.07 0.257 0.0196 1.08 1.517 1.0 1636345 Maybridge3_002425 COc1ccc(cc1)C(=O)Cn2c(=O)oc3ccc(C)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O06 compound treatment 0.251 0.0106 0.53 0.249 0.0116 0.64 0.8228 0.9953 1159987 Maybridge3_002426 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3c(C)noc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O07 compound treatment 0.248 0.00763 0.38 0.244 0.00665 0.36 0.5242 0.9999 1331220 Maybridge3_002427 CN(C(=O)c1ccco1)c2ccc(Cl)cc2C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O08 compound treatment 0.255 0.0146 0.72 0.256 0.0186 1.02 1.2338 0.9856 2076353 Maybridge3_002428 OC(=O)CC1SC(=NC1=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O09 compound treatment 0.246 0.00563 0.28 0.246 0.00865 0.47 0.5319 0.9677 1459703 Maybridge3_002429 Cc1cc(C(=O)NC2Cc3ccccc3C2)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O10 compound treatment 0.235 -0.00537 -0.27 0.234 -0.00335 -0.18 -0.3175 -0.9841 1513763 Maybridge3_002430 Fc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)c3c(Cl)cncc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O11 compound treatment 0.26 0.0196 0.97 0.262 0.0246 1.35 1.6411 0.9867 2076354 Maybridge3_002431 FC(F)(F)c1cccc(NC(=O)CSc2nccc(n2)c3cccs3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O12 compound treatment 0.25 0.00963 0.48 0.249 0.0116 0.64 0.7879 0.9895 1463776 Maybridge3_002432 COc1ccc(OCC(O)CNC(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O13 compound treatment 0.248 0.00763 0.38 0.234 -0.00335 -0.18 0.1365 0.3254 1340924 Maybridge3_002433 Clc1cncc(Cl)c1N2CCCN(CC2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O14 compound treatment 0.25 0.00963 0.48 0.25 0.0126 0.69 0.8266 0.9831 1583531 Maybridge3_002434 OC(=O)c1ccccc1C(=O)Nc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O15 compound treatment 0.259 0.0186 0.92 0.255 0.0176 0.97 1.3347 0.9997 2076355 Maybridge3_002435 Cn1c(SCC(=O)Nc2ccccc2)nnc1c3ccc4ccccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O16 compound treatment 0.258 0.0176 0.87 0.242 0.00465 0.25 0.7958 0.8772 2076356 Maybridge3_002436 FC(F)(F)c1ccnc(n1)N2CCC(CC2)C(=O)Nc3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O17 compound treatment 0.247 0.00663 0.33 0.249 0.0116 0.64 0.6831 0.9519 2076357 Maybridge3_002437 C(Sc1nccc(n1)c2cccs2)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O18 compound treatment 0.251 0.0106 0.53 0.25 0.0126 0.69 0.8616 0.9906 1522234 Maybridge3_002438 OC(=O)CC(CC(=O)Nc1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O19 compound treatment 0.245 0.00463 0.23 0.242 0.00465 0.25 0.3419 0.9986 1139394 Maybridge3_002439 Cc1cc(NC(=O)c2cc(oc2C)C(C)(C)C)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O20 compound treatment 0.25 0.00963 0.48 0.248 0.0106 0.58 0.7491 0.9948 1742988 Maybridge3_002440 CCc1ccnc(NS(=O)(=O)c2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O21 compound treatment 0.313 0.0726 3.59 0.36 0.123 6.72 7.2912 0.9567 2076358 Maybridge3_002441 COC(=O)c1c(C)[nH]c(C)c1/C=C/2\C(=O)Nc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O22 compound treatment 0.248 0.00763 0.38 0.242 0.00465 0.25 0.4466 0.9818 1398636 Maybridge3_002442 O=C(Nc1ccccc1)c2nc(c3ccccc3)n(n2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O23 mock treatment 0.247 0.00663 0.33 0.247 0.00965 0.53 0.6056 0.9735 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 O24 mock treatment 0.225 -0.0154 -0.76 0.216 -0.0214 -1.17 -1.3645 -0.978 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P01 compound treatment 0.199 -0.0414 -2.04 0.196 -0.0414 -2.27 -3.0478 -0.9986 1134000 Maybridge3_002443 COc1cc2nc(oc(=O)c2cc1OC)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P02 compound treatment 0.223 -0.0174 -0.86 0.224 -0.0134 -0.73 -1.1242 -0.9969 1218005 Maybridge3_002444 CC(C)(CC(=O)O)CC(=O)Nc1ccccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P03 compound treatment 0.22 -0.0204 -1.01 0.214 -0.0234 -1.28 -1.6166 -0.9929 1223761 Maybridge3_002445 Cc1cccc2nc(oc(=O)c12)c3cc4ccccc4s3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P04 compound treatment 0.248 0.00763 0.38 0.251 0.0136 0.75 0.7956 0.9496 1330406 Maybridge3_002446 Fc1ccc(cc1)C(=O)C2CCN(Cc3c[nH]c(n3)c4ccccc4)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P05 compound treatment 0.232 -0.00837 -0.41 0.219 -0.0184 -1.01 -1.0038 -0.9227 1445374 Maybridge3_002447 OC(=O)C1=C(SCCS1)C(=O)NC2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P06 compound treatment 0.231 -0.00937 -0.46 0.234 -0.00335 -0.18 -0.4571 -0.9184 2076359 Maybridge3_002448 Cn1c(SCC(O)c2ccccc2)nnc1c3ccc4ccccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P07 compound treatment 0.245 0.00463 0.23 0.233 -0.00435 -0.24 -0.0071 -0.0213 1593773 Maybridge3_002449 C(N1CCN(Cc2ccccc2)CC1)c3c[nH]nc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P08 compound treatment 0.231 -0.00937 -0.46 0.224 -0.0134 -0.73 -0.8448 -0.9755 1554006 Maybridge3_002450 Cn1nccc1NC(=O)CC(C)(C)CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P09 compound treatment 0.235 -0.00537 -0.27 0.218 -0.0194 -1.06 -0.9378 -0.8574 1554978 Maybridge3_002451 CS(=O)(=O)Nc1ccc(cc1)c2cn3CCSc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P10 compound treatment 0.218 -0.0224 -1.1 0.228 -0.00935 -0.51 -1.1437 -0.9392 1570129 Maybridge3_002452 O=S(=O)(N(CCC#N)Cc1ccccc1)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P11 compound treatment 0.233 -0.00737 -0.36 0.231 -0.00635 -0.35 -0.5036 -0.9998 1574234 Maybridge3_002453 Fc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P12 compound treatment 0.231 -0.00937 -0.46 0.238 6.45E-4 0.04 -0.3021 -0.6511 1160319 Maybridge3_002454 COc1cc2CCN(C(C)c2cc1OC)C(=O)CCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P13 compound treatment 0.238 -0.00237 -0.12 0.235 -0.00235 -0.13 -0.1739 -0.9988 1600120 Maybridge3_002455 COc1cc2CCN(C(C)c2cc1OC)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P14 compound treatment 0.241 6.33E-4 0.03 0.252 0.0146 0.8 0.5899 0.7341 2076360 Maybridge3_002456 COc1ccc(OCC(O)CN2CCS(=O)(=O)CC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P15 compound treatment 0.234 -0.00637 -0.31 0.238 6.45E-4 0.04 -0.1973 -0.6236 2076361 Maybridge3_002457 OC(CNC(=O)CC1(CC(=O)O)CCCC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P16 compound treatment 0.242 0.00163 0.08 0.236 -0.00135 -0.07 0.0045 0.0411 2076362 Maybridge3_002458 O=C(COc1ccccc1N2CCCCC2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P17 compound treatment 0.243 0.00263 0.13 0.225 -0.0124 -0.68 -0.3871 -0.5611 2076363 Maybridge3_002459 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P18 compound treatment 0.231 -0.00937 -0.46 0.227 -0.0104 -0.57 -0.7285 -0.9948 1459782 Maybridge3_002460 NC(=O)C1CCN(CC1)c2ncccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P19 compound treatment 0.235 -0.00537 -0.27 0.239 0.00165 0.09 -0.1236 -0.4415 1570643 Maybridge3_002461 CN(C)c1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P20 compound treatment 0.222 -0.0184 -0.91 0.232 -0.00535 -0.29 -0.8489 -0.8905 1423361 Maybridge3_002462 OC(=O)C1CCN(CC1)C(=O)CCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P21 compound treatment 0.23 -0.0104 -0.51 0.243 0.00565 0.31 -0.1431 -0.2392 1501068 Maybridge3_002463 COc1ccc(cc1)n2ncc(C(=O)N3CCN(CC3)c4ccc(F)cc4)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P22 compound treatment 0.213 -0.0274 -1.35 0.224 -0.0134 -0.73 -1.4734 -0.9586 1170351 Maybridge3_002464 O=C1NCCCCC1NS(=O)(=O)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P23 mock treatment 0.223 -0.0174 -0.86 0.209 -0.0284 -1.55 -1.7057 -0.9607 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1437 P24 mock treatment 0.206 -0.0344 -1.7 0.211 -0.0264 -1.45 -2.2218 -0.9968 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A01 compound treatment 0.176 -0.0535 -2.64 0.212 -0.0306 -1.68 -3.0553 -0.9761 2076364 Maybridge3_002465 CC(=O)Nc1ccc(NC(=O)c2ccc(nc2C)C(F)(F)F)cn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A02 compound treatment 0.196 -0.0335 -1.65 0.202 -0.0406 -2.23 -2.7446 -0.9893 2076365 Maybridge3_002466 CS/C(=N\c1ccccc1)/C(C#N)c2nc3ccccc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A03 compound treatment 0.218 -0.0115 -0.57 0.203 -0.0396 -2.17 -1.9377 -0.863 1594582 Maybridge3_002467 O=C(Nc1ccc(cc1)c2cn3CCSc3n2)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A04 compound treatment 0.18 -0.0495 -2.44 0.199 -0.0436 -2.39 -3.4196 -0.9999 1302412 Maybridge3_002468 CCOC(=O)C1CCCc2sc(N)c(C#N)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A05 compound treatment 0.183 -0.0465 -2.3 0.208 -0.0346 -1.9 -2.9659 -0.9955 1198750 Maybridge3_002469 CCCCN1Cc2c([nH]c3cc(nn3c2=O)c4ccccc4)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A06 compound treatment 0.179 -0.0505 -2.49 0.23 -0.0126 -0.69 -2.2527 -0.8704 1250245 Maybridge3_002470 CCC1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A07 compound treatment 0.214 -0.0155 -0.77 0.232 -0.0106 -0.58 -0.953 -0.9909 2076366 Maybridge3_002471 Cc1c(CN2CCN(Cc3ccccc3)CC2)sc4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A08 compound treatment 0.207 -0.0225 -1.11 0.236 -0.00662 -0.36 -1.0423 -0.8917 1724012 Maybridge3_002472 OC(=O)CCCC(=O)Nc1ccccc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A09 compound treatment 0.213 -0.0165 -0.81 0.237 -0.00562 -0.31 -0.7941 -0.9115 1447140 Maybridge3_002473 Clc1ccc(cc1)C(=O)N2CCc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A10 compound treatment 0.216 -0.0135 -0.67 0.233 -0.00962 -0.53 -0.8444 -0.9933 1660895 Maybridge3_002474 O=C(NCCN1CCOCC1)c2ccc(cc2)n3cccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A11 compound treatment 0.209 -0.0205 -1.01 0.215 -0.0276 -1.51 -1.7867 -0.9808 1560444 Maybridge3_002475 Clc1c(sc2ccccc12)C(=O)Nc3ccccc3N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A12 compound treatment 0.233 0.0035 0.17 0.252 0.00938 0.51 0.4859 0.8955 1710184 Maybridge3_002476 CN(C1CCCCC1)C(=O)c2cnn(c2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A13 compound treatment 0.217 -0.0125 -0.62 0.226 -0.0166 -0.91 -1.0809 -0.982 2076367 Maybridge3_002477 CCOC(=O)C1CCN(CC1)C(=O)c2cc(C)nn2C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A14 compound treatment 0.207 -0.0225 -1.11 0.223 -0.0196 -1.08 -1.5464 -0.9999 2076368 Maybridge3_002478 CN(C1CCCCC1)C(=O)c2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A15 compound treatment 0.21 -0.0195 -0.96 0.219 -0.0236 -1.3 -1.5967 -0.9894 1269003 Maybridge3_002479 OC(=O)C1CCN(CC1)C(=O)c2ccc3nsnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A16 compound treatment 0.215 -0.0145 -0.72 0.244 0.00138 0.08 -0.4528 -0.6289 1715937 Maybridge3_002480 CC(c1ccccc1)n2c(O)nnc2SCCS(=O)(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A17 compound treatment 0.209 -0.0205 -1.01 0.236 -0.00662 -0.36 -0.9725 -0.9043 2076369 Maybridge3_002481 CC(C)N(Cc1ccccc1)C(=O)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A18 compound treatment 0.238 0.0085 0.42 0.262 0.0194 1.06 1.0481 0.9174 1428809 Maybridge3_002482 CCOC(=O)N1CCc2c(C(=O)c3ccc(Cl)cc3)c(N)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A19 compound treatment 0.214 -0.0155 -0.77 0.217 -0.0256 -1.4 -1.5346 -0.9592 1712908 Maybridge3_002483 Cn1nccc1N2C(=O)C3=C(SCCS3)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A20 compound treatment 0.211 -0.0185 -0.91 0.197 -0.0456 -2.5 -2.4147 -0.9068 2076370 Maybridge3_002484 C1CC1c2nnc(s2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A21 compound treatment 0.204 -0.0255 -1.26 0.233 -0.00962 -0.53 -1.2634 -0.9254 1377268 Maybridge3_002485 Cc1ccc2oc(=O)n(CCc3noc(n3)c4ccccc4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A22 compound treatment 0.187 -0.0425 -2.1 0.218 -0.0246 -1.35 -2.4386 -0.9772 2076371 Maybridge3_002486 Cc1nn(nc1c2nnc(o2)c3ccc(cc3)C(F)(F)F)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A23 mock treatment 0.187 -0.0425 -2.1 0.225 -0.0176 -0.97 -2.1672 -0.938 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 A24 mock treatment 0.186 -0.0435 -2.15 0.178 -0.0646 -3.54 -4.0243 -0.9712 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B01 compound treatment 0.203 -0.0265 -1.31 0.245 0.00238 0.13 -0.8331 -0.6335 1382501 Maybridge3_002487 CN(C1CCCCC1)S(=O)(=O)c2cn(C)c(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B02 compound treatment 0.249 0.0195 0.96 0.249 0.00638 0.35 0.9282 0.906 1296228 Maybridge3_002488 CCN(CC)c1nc(C)nc2n(c3ccccc3)c(=S)sc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B03 compound treatment 0.273 0.0435 2.15 0.276 0.0334 1.83 2.8131 0.9968 2076372 Maybridge3_002489 FC(F)(F)c1cccc(Oc2ccc(NC(=O)c3ccco3)cn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B04 compound treatment 0.251 0.0215 1.06 0.253 0.0104 0.57 1.1531 0.9573 2076373 Maybridge3_002490 Oc1nnc(SCC(=O)c2ccc(F)cc2)n1Cc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B05 compound treatment 0.238 0.0085 0.42 0.254 0.0114 0.62 0.738 0.9814 1397082 Maybridge3_002491 O=C(N1CCCCC1)c2nc(c3ccccc3)n(n2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B06 compound treatment 0.253 0.0235 1.16 0.252 0.00938 0.51 1.1842 0.933 1293338 Maybridge3_002492 O=C(NC1Cc2ccccc2C1)c3ccc4OCCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B07 compound treatment 0.248 0.0185 0.91 0.252 0.00938 0.51 1.0096 0.9631 1631504 Maybridge3_002493 OC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B08 compound treatment 0.272 0.0425 2.1 0.27 0.0274 1.5 2.5455 0.9865 1435313 Maybridge3_002494 O=C(CCN1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B09 compound treatment 0.254 0.0245 1.21 0.256 0.0134 0.73 1.3742 0.9713 2076374 Maybridge3_002495 OC(=O)COCC(=O)Nc1ccc(cn1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B10 compound treatment 0.254 0.0245 1.21 0.254 0.0114 0.62 1.2967 0.9526 2076375 Maybridge3_002496 OCc1cncn1Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B11 compound treatment 0.248 0.0185 0.91 0.251 0.00838 0.46 0.9709 0.9494 2076376 Maybridge3_002497 Oc1nnc(SCC(=O)Nc2ccccc2)n1C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B12 compound treatment 0.275 0.0455 2.25 0.272 0.0294 1.61 2.7278 0.9867 2076377 Maybridge3_002498 Fc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B13 compound treatment 0.253 0.0235 1.16 0.251 0.00838 0.46 1.1454 0.9177 2076378 Maybridge3_002499 Cc1ccc(C)n1c2cc(n[nH]2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B14 compound treatment 0.238 0.0085 0.42 0.251 0.00838 0.46 0.6217 0.999 2076379 Maybridge3_002500 OC(=O)COCC(=O)Nc1cc(ccc1N2CCCC2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B15 compound treatment 0.247 0.0175 0.86 0.251 0.00838 0.46 0.9359 0.9563 2076380 Maybridge3_002501 CN(C(=O)c1cc(nn1C)C(C)(C)C)c2nnc(s2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B16 compound treatment 0.258 0.0285 1.41 0.257 0.0144 0.79 1.5527 0.9625 1590157 Maybridge3_002502 Clc1c(sc2ccccc12)C(=O)N3CCN(CC3)C(=O)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B17 compound treatment 0.297 0.0675 3.33 0.298 0.0554 3.04 4.504 0.9989 1221841 Maybridge3_002503 COc1ccc-2c(NC(c3cccn32)c4ccccc4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B18 compound treatment 0.258 0.0285 1.41 0.265 0.0224 1.23 1.8628 0.9977 2076381 Maybridge3_002504 Cc1cc2c(NC(=O)CC(C)(C)CC(=O)O)cccc2nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B19 compound treatment 0.25 0.0205 1.01 0.255 0.0124 0.68 1.1958 0.9811 1372217 Maybridge3_002505 O=C(Nc1ccc2[nH]ccc2c1)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B20 compound treatment 0.264 0.0345 1.7 0.256 0.0134 0.73 1.7234 0.9291 2076382 Maybridge3_002506 COc1ccc(cc1)C(=O)CSc2nnc(O)n2C3Cc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B21 compound treatment 0.247 0.0175 0.86 0.25 0.00738 0.4 0.8972 0.9402 2076383 Maybridge3_002507 CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B22 compound treatment 0.234 0.0045 0.22 0.246 0.00338 0.19 0.2881 0.9959 2076384 Maybridge3_002508 Fc1ccc(cc1)S(=O)(=O)CCN2C(=O)c3ccccc3S2(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B23 mock treatment 0.243 0.0135 0.67 0.248 0.00538 0.29 0.68 0.9327 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 B24 mock treatment 0.209 -0.0205 -1.01 0.23 -0.0126 -0.69 -1.2051 -0.9828 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C01 compound treatment 0.215 -0.0145 -0.72 0.236 -0.00662 -0.36 -0.763 -0.9504 1290341 Maybridge3_002509 CN(C)c1cccc2n(C)nc(NC(=O)c3cc(Cl)sc3Cl)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C02 compound treatment 0.25 0.0205 1.01 0.248 0.00538 0.29 0.9244 0.8767 1640390 Maybridge3_002510 N#CCSc1nnc2c3ccccc3[nH]c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C03 compound treatment 0.253 0.0235 1.16 0.247 0.00438 0.24 0.9904 0.8357 1211683 Maybridge3_002511 Cc1nnsc1C(=O)Nc2ccc(cc2)c3cn4CCSc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C04 compound treatment 0.234 0.0045 0.22 0.237 -0.00562 -0.31 -0.0608 -0.16 1285902 Maybridge3_002512 CCOC(=O)C1CCCc2sc(N)c(C(=O)OCC)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C05 compound treatment 0.238 0.0085 0.42 0.235 -0.00762 -0.42 0.0013 0.0023 1643574 Maybridge3_002513 CC(C)(C)c1cc2[nH]c3C(=O)N(Cc4ccccc4)Cc3c(=O)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C06 compound treatment 0.237 0.0075 0.37 0.242 -6.21E-4 -0.03 0.2378 0.6394 1224909 Maybridge3_002514 CC1CCc2c(C1)sc3nc(SCC(=O)N)n(c4ccccc4)c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C07 compound treatment 0.237 0.0075 0.37 0.237 -0.00562 -0.31 0.044 0.0913 1502819 Maybridge3_002515 O=C(N1CCC2(CC1)OCCO2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C08 compound treatment 0.285 0.0555 2.74 0.28 0.0374 2.05 3.3872 0.9898 1120307 Maybridge3_002516 Cc1cc(C)c2cc([nH]c2c1)C(=O)N3CCc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C09 compound treatment 0.24 0.0105 0.52 0.239 -0.00362 -0.2 0.2263 0.4075 1304754 Maybridge3_002517 O=C(N1CCc2ccccc2C1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C10 compound treatment 0.23 5.0E-4 0.02 0.247 0.00438 0.24 0.1872 0.7757 1677250 Maybridge3_002518 OC(=O)CSCC(=O)Nc1nc(cs1)c2ccc(F)c(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C11 compound treatment 0.251 0.0215 1.06 0.249 0.00638 0.35 0.9981 0.8929 2076385 Maybridge3_002519 CN(C)c1ccc(cc1)C(=O)Nc2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C12 compound treatment 0.235 0.0055 0.27 0.24 -0.00262 -0.14 0.0904 0.2943 2076386 Maybridge3_002520 CN(C1CCCCC1)C(=O)c2ccc(OC(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C13 compound treatment 0.242 0.0125 0.62 0.241 -0.00162 -0.09 0.3736 0.5991 1688465 Maybridge3_002521 CCOC(=O)C1CCN(CC1)C(=O)c2cc(C)n(n2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C14 compound treatment 0.23 5.0E-4 0.02 0.24 -0.00262 -0.14 -0.0841 -0.5771 1633997 Maybridge3_002522 OC(=O)C1CCN(CC1)C(=O)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C15 compound treatment 0.235 0.0055 0.27 0.24 -0.00262 -0.14 0.0904 0.2943 1300810 Maybridge3_002523 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C16 compound treatment 0.246 0.0165 0.81 0.246 0.00338 0.19 0.7072 0.8463 1622638 Maybridge3_002524 OCc1cccc(NS(=O)(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C17 compound treatment 0.234 0.0045 0.22 0.248 0.00538 0.29 0.3657 0.9903 1270014 Maybridge3_002525 CC(C)N(Cc1ccccc1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C18 compound treatment 0.243 0.0135 0.67 0.246 0.00338 0.19 0.6024 0.8706 2076387 Maybridge3_002526 Cc1nnsc1c2nnc(o2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C19 compound treatment 0.246 0.0165 0.81 0.248 0.00538 0.29 0.7847 0.9056 1619472 Maybridge3_002527 Cc1ccc2nc(cn2c1)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C20 compound treatment 0.235 0.0055 0.27 0.242 -6.21E-4 -0.03 0.168 0.6137 2076388 Maybridge3_002528 CCN(C(=O)c1ccccc1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C21 compound treatment 0.235 0.0055 0.27 0.238 -0.00462 -0.25 0.0129 0.0347 1171814 Maybridge3_002529 Cc1ccc2oc(=O)n(CCc3noc(n3)c4cccs4)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C22 compound treatment 0.22 -0.0095 -0.47 0.239 -0.00362 -0.2 -0.4721 -0.9268 2076389 Maybridge3_002530 OC(=O)C1CCN(CC1)C(=O)c2sc3ccccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C23 mock treatment 0.23 5.0E-4 0.02 0.235 -0.00762 -0.42 -0.278 -0.6642 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 C24 mock treatment 0.177 -0.0525 -2.59 0.234 -0.00862 -0.47 -2.1674 -0.8225 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D01 compound treatment 0.243 0.0135 0.67 0.243 3.79E-4 0.02 0.4861 0.7288 1589205 Maybridge3_002531 CN(C1CCCCC1)S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D02 compound treatment 0.288 0.0585 2.89 0.281 0.0384 2.1 3.5307 0.9879 2076390 Maybridge3_002532 C=CCn1c(=S)sc2c(ncnc12)N(Cc3ccccc3)Cc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D03 compound treatment 0.25 0.0205 1.01 0.25 0.00738 0.4 1.0019 0.919 1657212 Maybridge3_002533 Fc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D04 compound treatment 0.245 0.0155 0.77 0.252 0.00938 0.51 0.9049 0.9813 1129462 Maybridge3_002534 OC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D05 compound treatment 0.255 0.0255 1.26 0.252 0.00938 0.51 1.254 0.922 2076391 Maybridge3_002535 CCc1n[nH]c2OC(=C(C#N)C(c12)c3ccccc3)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D06 compound treatment 0.248 0.0185 0.91 0.251 0.00838 0.46 0.9709 0.9494 1309402 Maybridge3_002536 COC(=O)c1ccccc1NC(=O)c2ccc3OCCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D07 compound treatment 0.246 0.0165 0.81 0.253 0.0104 0.57 0.9786 0.9846 1241410 Maybridge3_002537 CC(=O)Nc1ccc(NC(=O)CCCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D08 compound treatment 0.249 0.0195 0.96 0.255 0.0124 0.68 1.1609 0.9853 2076392 Maybridge3_002538 FC(F)(F)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D09 compound treatment 0.245 0.0155 0.77 0.25 0.00738 0.4 0.8273 0.9556 2076393 Maybridge3_002539 CCN(C(=O)c1cccc(OC)c1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D10 compound treatment 0.29 0.0605 2.99 0.287 0.0444 2.43 3.8331 0.9948 2076394 Maybridge3_002540 O=C1C(=CNc2[nH]ncc2c3ccccc3)C(=O)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D11 compound treatment 0.252 0.0225 1.11 0.255 0.0124 0.68 1.2656 0.972 2076395 Maybridge3_002541 CC(c1ccccc1)n2c(O)nnc2SCC(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D12 compound treatment 0.243 0.0135 0.67 0.252 0.00938 0.51 0.835 0.9918 1699769 Maybridge3_002542 Fc1cccc(NC(=O)C2CCCCC2)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D13 compound treatment 0.25 0.0205 1.01 0.247 0.00438 0.24 0.8856 0.8512 2076396 Maybridge3_002543 Cc1nnsc1c2nnc(o2)c3ccccc3C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D14 compound treatment 0.248 0.0185 0.91 0.253 0.0104 0.57 1.0484 0.9741 1157677 Maybridge3_002544 Oc1nnc(SCc2csc(n2)c3ccccc3)n1Cc4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D15 compound treatment 0.244 0.0145 0.72 0.248 0.00538 0.29 0.7149 0.9231 2076397 Maybridge3_002545 CN(Cc1nnc(o1)c2ccc3ccccc3c2)c4nnc(s4)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D16 compound treatment 0.255 0.0255 1.26 0.264 0.0214 1.17 1.7193 0.9994 2076398 Maybridge3_002546 O=C(c1ccccc1)n2ccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D17 compound treatment 0.25 0.0205 1.01 0.258 0.0154 0.84 1.3121 0.9959 2076399 Maybridge3_002547 CC(C)(CC(=O)O)CC(=O)N1CCCc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D18 compound treatment 0.249 0.0195 0.96 0.253 0.0104 0.57 1.0833 0.9685 2076400 Maybridge3_002548 Cc1cc2c(NC(=O)CCCC(=O)O)cccc2nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D19 compound treatment 0.279 0.0495 2.44 0.266 0.0234 1.28 2.6349 0.9546 1407604 Maybridge3_002549 O=C(Nc1ccc2[nH]ccc2c1)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D20 compound treatment 0.246 0.0165 0.81 0.246 0.00338 0.19 0.7072 0.8463 2076401 Maybridge3_002550 COc1ccc(cc1)C(=O)CSc2nnc(O)n2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D21 compound treatment 0.249 0.0195 0.96 0.253 0.0104 0.57 1.0833 0.9685 1129980 Maybridge3_002551 CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D22 compound treatment 0.242 0.0125 0.62 0.246 0.00338 0.19 0.5675 0.8805 2076402 Maybridge3_002552 O=S(=O)(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D23 mock treatment 0.237 0.0075 0.37 0.251 0.00838 0.46 0.5868 0.9943 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 D24 mock treatment 0.188 -0.0415 -2.05 0.245 0.00238 0.13 -1.3568 -0.6608 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E01 compound treatment 0.209 -0.0205 -1.01 0.251 0.00838 0.46 -0.3909 -0.3517 1532336 Maybridge3_002553 CC(C)(CC(=O)O)CC(=O)Nc1ccccc1N2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E02 compound treatment 0.29 0.0605 2.99 0.288 0.0454 2.49 3.8719 0.9959 1372966 Maybridge3_002554 CCOC(=O)c1sc(Nc2ccccc2)c(c1N)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E03 compound treatment 0.268 0.0385 1.9 0.269 0.0264 1.45 2.3671 0.9909 1196671 Maybridge3_002555 Nc1ccc(cc1)c2cn3CCSc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E04 compound treatment 0.242 0.0125 0.62 0.249 0.00638 0.35 0.6838 0.9638 1536363 Maybridge3_002556 Clc1ccc(Nc2c3CCCc3nc4ncnn24)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E05 compound treatment 0.246 0.0165 0.81 0.248 0.00538 0.29 0.7847 0.9056 1628086 Maybridge3_002557 CC(C)(C)c1cc2[nH]c3C(=O)N(Cc3c(=O)n2n1)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E06 compound treatment 0.254 0.0245 1.21 0.254 0.0114 0.62 1.2967 0.9526 1213119 Maybridge3_002558 Cc1ccc2nc(cn2c1)c3cc(no3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E07 compound treatment 0.252 0.0225 1.11 0.249 0.00638 0.35 1.033 0.8868 1271739 Maybridge3_002559 O=C(N1CCC2(CC1)OCCO2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E08 compound treatment 0.303 0.0735 3.63 0.299 0.0564 3.09 4.7523 0.9968 1216881 Maybridge3_002560 Cc1cc(C)c2cc([nH]c2c1)C(=O)N(Cc3ccccc3)Cc4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E09 compound treatment 0.252 0.0225 1.11 0.251 0.00838 0.46 1.1105 0.9236 1699580 Maybridge3_002561 Cc1cc(=O)oc2cc(NC(=O)CSCC(=O)O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E10 compound treatment 0.251 0.0215 1.06 0.257 0.0144 0.79 1.3082 0.9893 1367028 Maybridge3_002562 OC(=O)COCC(=O)Nc1nc(cs1)c2ccc(F)c(F)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E11 compound treatment 0.245 0.0155 0.77 0.25 0.00738 0.4 0.8273 0.9556 2076403 Maybridge3_002563 Cc1nc(ccc1C(=O)Nc2ccccc2N3CCOCC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E12 compound treatment 0.249 0.0195 0.96 0.252 0.00938 0.51 1.0445 0.9568 2076404 Maybridge3_002564 CN(C1CCCCC1)C(=O)c2cccc(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E13 compound treatment 0.253 0.0235 1.16 0.245 0.00238 0.13 0.9128 0.7817 2076405 Maybridge3_002565 CCOC(=O)C1CCN(CC1)C(=O)c2cnn(c2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E14 compound treatment 0.247 0.0175 0.86 0.25 0.00738 0.4 0.8972 0.9402 2076406 Maybridge3_002566 Cc1nnsc1c2nnc(o2)c3cccc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E15 compound treatment 0.288 0.0585 2.89 0.275 0.0324 1.78 3.2981 0.9727 1469872 Maybridge3_002567 Cc1ccc2nc(cn2c1)c3ccc(s3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E16 compound treatment 0.251 0.0215 1.06 0.254 0.0114 0.62 1.1919 0.9679 1646775 Maybridge3_002568 Cn1nc(cc1NC(=O)CSCC(=O)O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E17 compound treatment 0.254 0.0245 1.21 0.263 0.0204 1.12 1.6456 0.9992 1498121 Maybridge3_002569 CC(C)N(Cc1ccccc1)S(=O)(=O)c2c(C)noc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E18 compound treatment 0.256 0.0265 1.31 0.26 0.0174 0.95 1.5991 0.9879 1267162 Maybridge3_002570 O=C(Nc1ccccc1C#N)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E19 compound treatment 0.243 0.0135 0.67 0.25 0.00738 0.4 0.7575 0.9714 1528710 Maybridge3_002571 Clc1ccc(Cl)c(NC(=O)CC2N(CCNC2=O)C(=O)c3ccccc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E20 compound treatment 0.278 0.0485 2.39 0.279 0.0364 1.99 3.104 0.9959 2076407 Maybridge3_002572 CC(C)(C)C(=O)CSc1nc2cc(Cl)c(Cl)cc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E21 compound treatment 0.283 0.0535 2.64 0.299 0.0564 3.09 4.054 0.9969 1134559 Maybridge3_002573 Clc1ccc(CN(Cc2cccnc2)C(=O)c3ccccc3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E22 compound treatment 0.249 0.0195 0.96 0.245 0.00238 0.13 0.7731 0.7956 1309425 Maybridge3_002574 O=C(Nc1ccc2[nH]ccc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E23 mock treatment 0.243 0.0135 0.67 0.248 0.00538 0.29 0.68 0.9327 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 E24 mock treatment 0.229 -5.0E-4 -0.02 0.223 -0.0196 -1.08 -0.7782 -0.7231 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F01 compound treatment 0.238 0.0085 0.42 0.249 0.00638 0.35 0.5441 0.9959 1622361 Maybridge3_002575 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F02 compound treatment 0.25 0.0205 1.01 0.255 0.0124 0.68 1.1958 0.9811 2076408 Maybridge3_002576 CCOC(=O)C1CCc2sc(N)c(C#N)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F03 compound treatment 0.261 0.0315 1.56 0.263 0.0204 1.12 1.89 0.9868 1420258 Maybridge3_002577 O=C(Nc1ccc(cc1)N2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F04 compound treatment 0.252 0.0225 1.11 0.256 0.0134 0.73 1.3044 0.9797 1608708 Maybridge3_002578 OC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F05 compound treatment 0.253 0.0235 1.16 0.253 0.0104 0.57 1.223 0.9462 1648287 Maybridge3_002579 CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F06 compound treatment 0.255 0.0255 1.26 0.254 0.0114 0.62 1.3316 0.9475 1386552 Maybridge3_002580 O=C(NCc1ccco1)c2ccc3OCCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F07 compound treatment 0.259 0.0295 1.46 0.258 0.0154 0.84 1.6263 0.9662 2076409 Maybridge3_002581 CC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F08 compound treatment 0.283 0.0535 2.64 0.275 0.0324 1.78 3.1235 0.9813 2076410 Maybridge3_002582 CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CSCC(=O)O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F09 compound treatment 0.254 0.0245 1.21 0.258 0.0154 0.84 1.4518 0.9844 2076411 Maybridge3_002583 CCN(C(=O)c1cccs1)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F10 compound treatment 0.271 0.0415 2.05 0.261 0.0184 1.01 2.1617 0.9466 2076412 Maybridge3_002584 Cc1cn[nH]c1NC=C2C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F11 compound treatment 0.254 0.0245 1.21 0.257 0.0144 0.79 1.413 0.9785 2076413 Maybridge3_002585 Cc1nnsc1c2nnc(SCC(=O)c3ccc(F)cc3)n2C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F12 compound treatment 0.253 0.0235 1.16 0.255 0.0124 0.68 1.3005 0.9674 2076414 Maybridge3_002586 OC(=O)CSCC(=O)Nc1cccc(F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F13 compound treatment 0.262 0.0325 1.6 0.253 0.0104 0.57 1.5372 0.9028 2076415 Maybridge3_002587 FC(F)(F)c1ccccc1c2nnc(o2)c3sccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F14 compound treatment 0.254 0.0245 1.21 0.256 0.0134 0.73 1.3742 0.9713 2076416 Maybridge3_002588 Oc1nnc(SCc2nc3ccccc3s2)n1Cc4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F15 compound treatment 0.247 0.0175 0.86 0.253 0.0104 0.57 1.0135 0.9795 1339281 Maybridge3_002589 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc2ccccc2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F16 compound treatment 0.258 0.0285 1.41 0.263 0.0204 1.12 1.7853 0.9935 2076417 Maybridge3_002590 O=C(c1ccco1)n2ccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F17 compound treatment 0.265 0.0355 1.75 0.275 0.0324 1.78 2.4949 1.0 1268596 Maybridge3_002591 Oc1ccccc1C(=O)NC(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F18 compound treatment 0.251 0.0215 1.06 0.264 0.0214 1.17 1.5796 0.9988 2076418 Maybridge3_002592 Cn1nc(cc1NC(=O)COc2ccc(Cl)cc2Cl)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F19 compound treatment 0.295 0.0655 3.23 0.285 0.0424 2.32 3.9302 0.9868 1590476 Maybridge3_002593 Cc1nn(nc1C(=O)Nc2ccc3[nH]ccc3c2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F20 compound treatment 0.251 0.0215 1.06 0.254 0.0114 0.62 1.1919 0.9679 2076419 Maybridge3_002594 COc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F21 compound treatment 0.247 0.0175 0.86 0.255 0.0124 0.68 1.091 0.9929 2076420 Maybridge3_002595 CCOC(=O)c1cnn(C(=S)N)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F22 compound treatment 0.249 0.0195 0.96 0.252 0.00938 0.51 1.0445 0.9568 2076421 Maybridge3_002596 Clc1ccc(cc1)S(=O)(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F23 mock treatment 0.244 0.0145 0.72 0.249 0.00638 0.35 0.7536 0.9457 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 F24 mock treatment 0.22 -0.0095 -0.47 0.249 0.00638 0.35 -0.0844 -0.1442 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G01 compound treatment 0.217 -0.0125 -0.62 0.247 0.00438 0.24 -0.2667 -0.4027 1268780 Maybridge3_002597 OC(=O)CC1(CC(=O)Nc2ccccc2N3CCOCC3)CCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G02 compound treatment 0.245 0.0155 0.77 0.254 0.0114 0.62 0.9824 0.9949 1521013 Maybridge3_002598 Cc1cc(C)n(n1)c2cc(nc3ncnn23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G03 compound treatment 0.263 0.0335 1.65 0.269 0.0264 1.45 2.1925 0.9978 1459902 Maybridge3_002599 Cc1cc(C)c2cc([nH]c2c1)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G04 compound treatment 0.254 0.0245 1.21 0.253 0.0104 0.57 1.2579 0.9408 2076422 Maybridge3_002600 Cc1cc(C)n(n1)c2ncnc3n(ncc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G05 compound treatment 0.244 0.0145 0.72 0.249 0.00638 0.35 0.7536 0.9457 1275540 Maybridge3_002601 CCOC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G06 compound treatment 0.274 0.0445 2.2 0.271 0.0284 1.56 2.6541 0.9857 1472186 Maybridge3_002602 Cc1ccc2nc(cn2c1)c3cccc(C#N)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G07 compound treatment 0.249 0.0195 0.96 0.253 0.0104 0.57 1.0833 0.9685 1201007 Maybridge3_002603 Cc1cc(no1)C(=O)N2CCC3(CC2)OCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G08 compound treatment 0.265 0.0355 1.75 0.261 0.0184 1.01 1.9522 0.9654 1553971 Maybridge3_002604 O=C(NC1CCN(Cc2ccccc2)CC1)c3ccc(cc3)n4cccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G09 compound treatment 0.246 0.0165 0.81 0.254 0.0114 0.62 1.0173 0.9913 1637263 Maybridge3_002605 Cc1cc(=O)oc2cc(NC(=O)CCC(=O)O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G10 compound treatment 0.249 0.0195 0.96 0.253 0.0104 0.57 1.0833 0.9685 2076423 Maybridge3_002606 FC(F)(F)c1ccc(NS(=O)(=O)c2ccc(s2)c3ccccn3)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G11 compound treatment 0.247 0.0175 0.86 0.242 -6.21E-4 -0.03 0.587 0.6787 1402163 Maybridge3_002607 Cc1onc(c1C(=O)Nc2ccccc2N3CCOCC3)c4c(F)cccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G12 compound treatment 0.247 0.0175 0.86 0.26 0.0174 0.95 1.2849 0.9988 1544242 Maybridge3_002608 CN(C1CCCCC1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G13 compound treatment 0.247 0.0175 0.86 0.248 0.00538 0.29 0.8196 0.8976 1214229 Maybridge3_002609 CCOC(=O)C1CCN(CC1)C(=O)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G14 compound treatment 0.248 0.0185 0.91 0.247 0.00438 0.24 0.8158 0.8636 1212213 Maybridge3_002610 CN(CCc1ccccn1)C(=O)c2sc3ccccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G15 compound treatment 0.246 0.0165 0.81 0.249 0.00638 0.35 0.8235 0.9287 1479373 Maybridge3_002611 O=C(Nc1cccc(COC(=O)c2ccccc2)c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G16 compound treatment 0.246 0.0165 0.81 0.249 0.00638 0.35 0.8235 0.9287 1688445 Maybridge3_002612 Cn1nc(cc1NC(=O)CC(C)(C)CC(=O)O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G17 compound treatment 0.25 0.0205 1.01 0.257 0.0144 0.79 1.2733 0.9924 2076424 Maybridge3_002613 CCc1ccc(cc1)C(=O)N(Cc2ccccc2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G18 compound treatment 0.246 0.0165 0.81 0.253 0.0104 0.57 0.9786 0.9846 2076425 Maybridge3_002614 O=S(=O)(Nc1ccccc1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G19 compound treatment 0.244 0.0145 0.72 0.244 0.00138 0.08 0.5598 0.7775 1126160 Maybridge3_002615 Fc1ccc(cc1)C(=O)Nc2cccnc2Oc3ncnc4cc(Cl)ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G20 compound treatment 0.244 0.0145 0.72 0.249 0.00638 0.35 0.7536 0.9457 1662636 Maybridge3_002616 CN(C)CCNC(=O)c1c(C)onc1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G21 compound treatment 0.329 0.0995 4.91 0.342 0.0994 5.45 7.3273 0.9987 1398056 Maybridge3_002617 Clc1ccc(CN(Cc2cccnc2)C(=O)c3cccs3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G22 compound treatment 0.244 0.0145 0.72 0.251 0.00838 0.46 0.8312 0.977 1331815 Maybridge3_002618 O=C(Nc1ccc2[nH]ccc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G23 mock treatment 0.248 0.0185 0.91 0.247 0.00438 0.24 0.8158 0.8636 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 G24 mock treatment 0.211 -0.0185 -0.91 0.24 -0.00262 -0.14 -0.7476 -0.8084 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H01 compound treatment 0.233 0.0035 0.17 0.245 0.00238 0.13 0.2145 0.9904 1303425 Maybridge3_002619 COC(=O)c1ccc(o1)S(=O)(=O)N(C)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H02 compound treatment 0.243 0.0135 0.67 0.255 0.0124 0.68 0.9513 1.0 1176860 Maybridge3_002620 Clc1ccccc1Cn2nnc3c(=O)[nH]cnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H03 compound treatment 0.26 0.0305 1.51 0.25 0.00738 0.4 1.3511 0.8663 1453343 Maybridge3_002621 Cc1cc(no1)C(=O)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H04 compound treatment 0.252 0.0225 1.11 0.254 0.0114 0.62 1.2268 0.9628 1593776 Maybridge3_002622 C1CCN(CC1)c2ccccc2n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H05 compound treatment 0.248 0.0185 0.91 0.258 0.0154 0.84 1.2422 0.9992 1253368 Maybridge3_002623 CC(C)(C)c1ccc(Oc2ccc(NC(=O)CSCC(=O)O)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H06 compound treatment 0.247 0.0175 0.86 0.246 0.00338 0.19 0.7421 0.8396 1189308 Maybridge3_002624 O=C(N1CCCCC1)c2ccc3OCCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H07 compound treatment 0.254 0.0245 1.21 0.259 0.0164 0.9 1.4905 0.9892 1444774 Maybridge3_002625 CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H08 compound treatment 0.268 0.0385 1.9 0.275 0.0324 1.78 2.5997 0.9994 1599704 Maybridge3_002626 CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H09 compound treatment 0.246 0.0165 0.81 0.249 0.00638 0.35 0.8235 0.9287 2076426 Maybridge3_002627 O=S(=O)(N1CCOCC1)c2ccc(cc2)c3csnn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H10 compound treatment 0.3 0.0705 3.48 0.304 0.0614 3.37 4.8414 0.9999 1276045 Maybridge3_002628 S=c1sc2ccccc2n1CSc3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H11 compound treatment 0.249 0.0195 0.96 0.248 0.00538 0.29 0.8895 0.8832 1470445 Maybridge3_002629 COc1ccc(cc1)C(=O)c2c(N)sc3CN(CCc23)C(=O)OC(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H12 compound treatment 0.248 0.0185 0.91 0.257 0.0144 0.79 1.2035 0.9973 2076427 Maybridge3_002630 OC(=O)COCC(=O)Nc1cccc(F)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H13 compound treatment 0.257 0.0275 1.36 0.253 0.0104 0.57 1.3627 0.9255 2076428 Maybridge3_002631 NC(=O)C1CCN(CC1)C(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H14 compound treatment 0.273 0.0435 2.15 0.273 0.0304 1.67 2.6967 0.9921 2076429 Maybridge3_002632 Oc1nnc(SCC(=O)c2csc3ccccc23)n1Cc4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H15 compound treatment 0.242 0.0125 0.62 0.247 0.00438 0.24 0.6063 0.9154 1309383 Maybridge3_002633 COC(=O)c1ccc(o1)S(=O)(=O)N(Cc2ccccc2)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H16 compound treatment 0.248 0.0185 0.91 0.263 0.0204 1.12 1.4361 0.995 2076430 Maybridge3_002634 COc1cccc(c1)C(=O)n2ccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H17 compound treatment 0.279 0.0495 2.44 0.28 0.0374 2.05 3.1777 0.9962 2076431 Maybridge3_002635 Oc1ccccc1C(=O)NC(=O)c2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H18 compound treatment 0.24 0.0105 0.52 0.247 0.00438 0.24 0.5364 0.9388 1760439 Maybridge3_002636 COc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H19 compound treatment 0.25 0.0205 1.01 0.252 0.00938 0.51 1.0795 0.9507 2076432 Maybridge3_002637 O=S(=O)(Nc1ccc2[nH]ccc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H20 compound treatment 0.247 0.0175 0.86 0.245 0.00238 0.13 0.7033 0.8047 2076433 Maybridge3_002638 COc1ccc(NC(=O)CCC(=O)O)cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H21 compound treatment 0.226 -0.0035 -0.17 0.232 -0.0106 -0.58 -0.534 -0.8791 1193474 Maybridge3_002639 NC(=O)c1nnc2ccccc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H22 compound treatment 0.241 0.0115 0.57 0.245 0.00238 0.13 0.4938 0.8475 2076434 Maybridge3_002640 Cc1oc(cc1C(=O)NCc2ccncc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H23 mock treatment 0.238 0.0085 0.42 0.248 0.00538 0.29 0.5054 0.9851 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 H24 mock treatment 0.237 0.0075 0.37 0.249 0.00638 0.35 0.5092 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I01 compound treatment 0.228 -0.0015 -0.07 0.251 0.00838 0.46 0.2725 0.5855 2076435 Maybridge3_002641 O=C1CCC(=O)N1c2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I02 compound treatment 0.267 0.0375 1.85 0.268 0.0254 1.39 2.2934 0.9901 1565907 Maybridge3_002642 CCOC(=O)CSc1cc(nc2ncnn12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I03 compound treatment 0.249 0.0195 0.96 0.255 0.0124 0.68 1.1609 0.9853 1140136 Maybridge3_002643 CN(C1CCN(C)CC1)C(=O)c2cc3c(C)cc(C)cc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I04 compound treatment 0.25 0.0205 1.01 0.256 0.0134 0.73 1.2345 0.9875 2076436 Maybridge3_002644 C=CCSc1ncnc2n(ncc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I05 compound treatment 0.251 0.0215 1.06 0.255 0.0124 0.68 1.2307 0.9766 1249463 Maybridge3_002645 O=C(Nc1ccc2OCCOc2c1)c3cccnc3Oc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I06 compound treatment 0.254 0.0245 1.21 0.262 0.0194 1.06 1.6068 0.9979 1415369 Maybridge3_002646 Nc1nc(cs1)c2cc(no2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I07 compound treatment 0.247 0.0175 0.86 0.255 0.0124 0.68 1.091 0.9929 2076437 Maybridge3_002647 Cc1nc(ccc1C(=O)N2CCC3(CC2)OCCO3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I08 compound treatment 0.26 0.0305 1.51 0.258 0.0154 0.84 1.6613 0.9624 1553575 Maybridge3_002648 O=C(Nc1ccc(cc1)N2CCOCC2)c3ccc(cc3)n4cccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I09 compound treatment 0.254 0.0245 1.21 0.251 0.00838 0.46 1.1804 0.9121 2076438 Maybridge3_002649 Cc1cc(=O)oc2cc(NC(=O)c3ccccc3C(=O)O)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I10 compound treatment 0.261 0.0315 1.56 0.265 0.0224 1.23 1.9676 0.9931 1419968 Maybridge3_002650 O=C(Nc1nnc(s1)C2CC2)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I11 compound treatment 0.252 0.0225 1.11 0.252 0.00938 0.51 1.1493 0.9387 1719358 Maybridge3_002651 O=S(=O)(Nc1ccccc1N2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I12 compound treatment 0.253 0.0235 1.16 0.258 0.0154 0.84 1.4168 0.9877 1436631 Maybridge3_002652 CN(C1CCCCC1)S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I13 compound treatment 0.252 0.0225 1.11 0.26 0.0174 0.95 1.4595 0.9971 2076439 Maybridge3_002653 Cc1cc(C(=O)N2CCC(CC2)C(=O)O)c(o1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I14 compound treatment 0.256 0.0265 1.31 0.255 0.0124 0.68 1.4053 0.9533 1337698 Maybridge3_002654 CN(CCc1ccccn1)C(=O)c2cccnc2Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I15 compound treatment 0.252 0.0225 1.11 0.257 0.0144 0.79 1.3431 0.9859 1638348 Maybridge3_002655 CCOC(=O)C1CCN(Cc2csc(n2)c3cccs3)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I16 compound treatment 0.25 0.0205 1.01 0.256 0.0134 0.73 1.2345 0.9875 1366264 Maybridge3_002656 OC(=O)CSCC(=O)N1CCN(CC1)C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I17 compound treatment 0.26 0.0305 1.51 0.256 0.0134 0.73 1.5837 0.9453 2076440 Maybridge3_002657 CC(C)N(Cc1ccccc1)C(=O)c2snnc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I18 compound treatment 0.254 0.0245 1.21 0.256 0.0134 0.73 1.3742 0.9713 2076441 Maybridge3_002658 Fc1ccc(cc1)S(=O)(=O)Nc2ccccc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I19 compound treatment 0.248 0.0185 0.91 0.254 0.0114 0.62 1.0872 0.9827 1222151 Maybridge3_002659 Clc1ccc2c(Oc3ncccc3NC(=O)c4cccs4)ncnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I20 compound treatment 0.251 0.0215 1.06 0.254 0.0114 0.62 1.1919 0.9679 1494278 Maybridge3_002660 Cc1onc(c1C(=O)NCCN2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I21 compound treatment 0.256 0.0265 1.31 0.258 0.0154 0.84 1.5216 0.9774 2076442 Maybridge3_002661 NC(=O)c1cccc(CSCc2csc3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I22 compound treatment 0.247 0.0175 0.86 0.256 0.0134 0.73 1.1298 0.9967 1206272 Maybridge3_002662 Oc1nnc(SCCS(=O)(=O)c2ccc(F)cc2)n1C3Cc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I23 mock treatment 0.249 0.0195 0.96 0.251 0.00838 0.46 1.0058 0.9427 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 I24 mock treatment 0.23 5.0E-4 0.02 0.244 0.00138 0.08 0.0709 0.8916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J01 compound treatment 0.249 0.0195 0.96 0.27 0.0274 1.5 1.7424 0.977 1416751 Maybridge3_002663 Cc1nc(sc1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J02 compound treatment 0.235 0.0055 0.27 0.248 0.00538 0.29 0.4006 0.9992 1524802 Maybridge3_002664 Clc1ccc(Cn2nnc3c(=O)[nH]cnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J03 compound treatment 0.242 0.0125 0.62 0.246 0.00338 0.19 0.5675 0.8805 1716029 Maybridge3_002665 Cn1cnc(c1)S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J04 compound treatment 0.248 0.0185 0.91 0.251 0.00838 0.46 0.9709 0.9494 2076443 Maybridge3_002666 O=S(=O)(Nc1cccc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J05 compound treatment 0.269 0.0395 1.95 0.265 0.0224 1.23 2.2469 0.975 2076444 Maybridge3_002667 O=C(NCc1cccnc1)c2ccc(s2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J06 compound treatment 0.246 0.0165 0.81 0.255 0.0124 0.68 1.0561 0.9959 1180553 Maybridge3_002668 CN(CCc1ccccn1)C(=O)c2ccccc2C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J07 compound treatment 0.245 0.0155 0.77 0.252 0.00938 0.51 0.9049 0.9813 1472138 Maybridge3_002669 CC(=O)Nc1ccc(NC(=O)CSCC(=O)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J08 compound treatment 0.267 0.0375 1.85 0.264 0.0214 1.17 2.1383 0.9757 2076445 Maybridge3_002670 CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J09 compound treatment 0.263 0.0335 1.65 0.265 0.0224 1.23 2.0374 0.9892 2076446 Maybridge3_002671 O=S(=O)(NC1Cc2ccccc2C1)c3ccc(cc3)c4csnn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J10 compound treatment 0.256 0.0265 1.31 0.245 0.00238 0.13 1.0176 0.7738 1430973 Maybridge3_002672 COC(=O)c1sccc1S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J11 compound treatment 0.247 0.0175 0.86 0.252 0.00938 0.51 0.9747 0.9693 1705758 Maybridge3_002673 OC(=O)CSCC(=O)Nc1cc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J12 compound treatment 0.245 0.0155 0.77 0.253 0.0104 0.57 0.9436 0.9894 2076447 Maybridge3_002674 COC(=O)c1sc(cc1NC(=O)/C=C/C(=O)O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J13 compound treatment 0.242 0.0125 0.62 0.255 0.0124 0.68 0.9164 0.9989 1305677 Maybridge3_002675 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)NCc3ccco3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J14 compound treatment 0.339 0.11 5.41 0.324 0.0814 4.46 6.9786 0.9954 2076448 Maybridge3_002676 Cc1nc(Nc2ccccc2)sc1C(=O)c3ccc4OCCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J15 compound treatment 0.24 0.0105 0.52 0.244 0.00138 0.08 0.4201 0.8018 1127811 Maybridge3_002677 CN(C1CCCCC1)C(=O)c2ccc3nccnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J16 compound treatment 0.243 0.0135 0.67 0.255 0.0124 0.68 0.9513 1.0 2076449 Maybridge3_002678 Cc1noc(C)c1C(=O)n2ccc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J17 compound treatment 0.281 0.0515 2.54 0.283 0.0404 2.21 3.3638 0.9976 1314068 Maybridge3_002679 COc1cccc(c1)C(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J18 compound treatment 0.24 0.0105 0.52 0.242 -6.21E-4 -0.03 0.3426 0.6593 2076450 Maybridge3_002680 COc1ccc(OCCNC(=O)c2ccc3nccnc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J19 compound treatment 0.247 0.0175 0.86 0.253 0.0104 0.57 1.0135 0.9795 1538643 Maybridge3_002681 Cn1cnc(c1)S(=O)(=O)Nc2ccc3[nH]ccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J20 compound treatment 0.252 0.0225 1.11 0.252 0.00938 0.51 1.1493 0.9387 2076451 Maybridge3_002682 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J21 compound treatment 0.247 0.0175 0.86 0.254 0.0114 0.62 1.0522 0.9872 2076452 Maybridge3_002683 N#CC(Sc1nc2ccccc2[nH]1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J22 compound treatment 0.252 0.0225 1.11 0.256 0.0134 0.73 1.3044 0.9797 2076453 Maybridge3_002684 CC(C)(CC(=O)Nc1cccnc1)Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J23 mock treatment 0.235 0.0055 0.27 0.247 0.00438 0.24 0.3618 0.9981 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 J24 mock treatment 0.219 -0.0105 -0.52 0.246 0.00338 0.19 -0.2356 -0.4279 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K01 compound treatment 0.221 -0.0085 -0.42 0.244 0.00138 0.08 -0.2433 -0.5705 1402522 Maybridge3_002685 O=C1CSCC(=O)N1c2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K02 compound treatment 0.246 0.0165 0.81 0.255 0.0124 0.68 1.0561 0.9959 1240335 Maybridge3_002686 Cc1cc(nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c12)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K03 compound treatment 0.254 0.0245 1.21 0.249 0.00638 0.35 1.1028 0.8757 2076454 Maybridge3_002687 Cc1cc(C)c2cc([nH]c2c1)C(=O)NCCNc3ccc(cn3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K04 compound treatment 0.253 0.0235 1.16 0.256 0.0134 0.73 1.3393 0.9755 1590311 Maybridge3_002688 CCOC(=O)CSc1ncnc2n(ncc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K05 compound treatment 0.301 0.0715 3.53 0.306 0.0634 3.48 4.9539 1.0 1553029 Maybridge3_002689 O=C(Nc1ccc2OCCOc2c1)c3cncc(c3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K06 compound treatment 0.282 0.0525 2.59 0.281 0.0384 2.1 3.3212 0.9946 2076455 Maybridge3_002690 O=C(Nc1ccccc1)c2nnc(o2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K07 compound treatment 0.245 0.0155 0.77 0.253 0.0104 0.57 0.9436 0.9894 1625571 Maybridge3_002691 O=S(=O)(N1CCC2(CC1)OCCO2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K08 compound treatment 0.248 0.0185 0.91 0.256 0.0134 0.73 1.1647 0.9941 2076456 Maybridge3_002692 FC(F)(F)c1cccnc1N2CCN(CC2)C(=O)c3ccc(cc3)n4cccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K09 compound treatment 0.249 0.0195 0.96 0.252 0.00938 0.51 1.0445 0.9568 2076457 Maybridge3_002693 Cc1cc(=O)oc2cc(NC(=O)CC3(CC(=O)O)CCCC3)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K10 compound treatment 0.256 0.0265 1.31 0.261 0.0184 1.01 1.6379 0.9917 1127714 Maybridge3_002694 O=C(Nc1nnc(s1)C2CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K11 compound treatment 0.247 0.0175 0.86 0.252 0.00938 0.51 0.9747 0.9693 1321401 Maybridge3_002695 O=S(=O)(Nc1ccccc1N2CCOCC2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K12 compound treatment 0.246 0.0165 0.81 0.255 0.0124 0.68 1.0561 0.9959 2076458 Maybridge3_002696 CN(C1CCCCC1)S(=O)(=O)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K13 compound treatment 0.246 0.0165 0.81 0.258 0.0154 0.84 1.1724 0.9999 1549363 Maybridge3_002697 Cc1cc(C(=O)N2CCC(CC2)C(=O)O)c(C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K14 compound treatment 0.246 0.0165 0.81 0.254 0.0114 0.62 1.0173 0.9913 2076459 Maybridge3_002698 Cc1ccc(cc1)S(=O)(=O)CCSc2nnc(O)n2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K15 compound treatment 0.256 0.0265 1.31 0.258 0.0154 0.84 1.5216 0.9774 1147820 Maybridge3_002699 C(N1CCSCC1)c2csc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K16 compound treatment 0.249 0.0195 0.96 0.258 0.0154 0.84 1.2772 0.9978 1580980 Maybridge3_002700 CCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K17 compound treatment 0.249 0.0195 0.96 0.252 0.00938 0.51 1.0445 0.9568 2076460 Maybridge3_002701 CC(C)N(Cc1ccccc1)C(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K18 compound treatment 0.269 0.0395 1.95 0.288 0.0454 2.49 3.1386 0.9927 1174382 Maybridge3_002702 COc1c(Cl)scc1C(=O)Nc2nnc(s2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K19 compound treatment 0.26 0.0305 1.51 0.272 0.0294 1.61 2.204 0.9994 1290748 Maybridge3_002703 Clc1ccc2c(OCC(=O)c3ccc4OCCCOc4c3)ncnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K20 compound treatment 0.246 0.0165 0.81 0.25 0.00738 0.4 0.8622 0.9478 1407581 Maybridge3_002704 CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K21 compound treatment 0.247 0.0175 0.86 0.246 0.00338 0.19 0.7421 0.8396 2076461 Maybridge3_002705 CCOC(=O)CSc1nnc(c2ccccc2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K22 compound treatment 0.249 0.0195 0.96 0.254 0.0114 0.62 1.1221 0.9779 2076462 Maybridge3_002706 Oc1nnc(SCCS(=O)(=O)c2ccc(F)cc2)n1C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K23 mock treatment 0.242 0.0125 0.62 0.248 0.00538 0.29 0.645 0.9429 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 K24 mock treatment 0.214 -0.0155 -0.77 0.247 0.00438 0.24 -0.3714 -0.463 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L01 compound treatment 0.24 0.0105 0.52 0.248 0.00538 0.29 0.5752 0.9642 2076463 Maybridge3_002707 NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L02 compound treatment 0.247 0.0175 0.86 0.249 0.00638 0.35 0.8584 0.9207 2076464 Maybridge3_002708 CCOC(=O)CSc1ncnc2sc3CCCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L03 compound treatment 0.249 0.0195 0.96 0.254 0.0114 0.62 1.1221 0.9779 1455383 Maybridge3_002709 Cc1noc(C)c1S(=O)(=O)Nc2ccc(cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L04 compound treatment 0.252 0.0225 1.11 0.251 0.00838 0.46 1.1105 0.9236 2076465 Maybridge3_002710 O=S(=O)(Nc1cccc2ccccc12)c3cccc4nonc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L05 compound treatment 0.253 0.0235 1.16 0.256 0.0134 0.73 1.3393 0.9755 2076466 Maybridge3_002711 Fc1ccc(CNC(=O)CCc2nc(no2)c3ccccn3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L06 compound treatment 0.253 0.0235 1.16 0.252 0.00938 0.51 1.1842 0.933 2076467 Maybridge3_002712 CN(CCc1ccccn1)C(=O)c2nn(nc2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L07 compound treatment 0.257 0.0275 1.36 0.257 0.0144 0.79 1.5177 0.9665 2076468 Maybridge3_002713 Cc1nc(ccc1C(=O)Nc2ccc(cn2)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L08 compound treatment 0.265 0.0355 1.75 0.262 0.0194 1.06 1.9909 0.9712 2076469 Maybridge3_002714 CS(=O)(=O)c1ccc(cc1)C2=Nn3c(nnc3SC2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L09 compound treatment 0.258 0.0285 1.41 0.255 0.0124 0.68 1.4751 0.9441 2076470 Maybridge3_002715 CN(C)c1ccc(NS(=O)(=O)c2ccc(cc2)c3csnn3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L10 compound treatment 0.268 0.0385 1.9 0.262 0.0194 1.06 2.0957 0.9622 2076471 Maybridge3_002716 O=S(=O)(Nc1ccc(cc1)N2CCCCC2)c3ccc(s3)c4ccon4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L11 compound treatment 0.253 0.0235 1.16 0.256 0.0134 0.73 1.3393 0.9755 1205416 Maybridge3_002717 OC(=O)c1ccccc1C(=O)Nc2cc(n[nH]2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L12 compound treatment 0.25 0.0205 1.01 0.255 0.0124 0.68 1.1958 0.9811 2076472 Maybridge3_002718 COC(=O)c1sc(cc1NC(=O)c2ccc3nsnc3c2)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L13 compound treatment 0.253 0.0235 1.16 0.255 0.0124 0.68 1.3005 0.9674 1429983 Maybridge3_002719 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)NCC3CC3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L14 compound treatment 0.249 0.0195 0.96 0.255 0.0124 0.68 1.1609 0.9853 2076473 Maybridge3_002720 COc1ccc(cc1)C(=O)CSc2nnc(O)n2C(C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L15 compound treatment 0.251 0.0215 1.06 0.253 0.0104 0.57 1.1531 0.9573 2076474 Maybridge3_002721 Cn1cncc1CC2COC(=O)C2C(O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L16 compound treatment 0.267 0.0375 1.85 0.271 0.0284 1.56 2.4097 0.9963 2076475 Maybridge3_002722 O=C(c1cccnc1Oc2ccccc2)n3ccc(n3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L17 compound treatment 0.261 0.0315 1.56 0.263 0.0204 1.12 1.89 0.9868 1263872 Maybridge3_002723 Cc1noc(C)c1C(=O)N2CCCCC2c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L18 compound treatment 0.244 0.0145 0.72 0.262 0.0194 1.06 1.2577 0.9815 2076476 Maybridge3_002724 Clc1cccc(Oc2ccccc2)c1CNC(=O)c3ccc4nccnc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L19 compound treatment 0.252 0.0225 1.11 0.256 0.0134 0.73 1.3044 0.9797 1719415 Maybridge3_002725 CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L20 compound treatment 0.248 0.0185 0.91 0.254 0.0114 0.62 1.0872 0.9827 2076477 Maybridge3_002726 COc1ccc(cc1)c2csc(COC(=O)C(C)(C)C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L21 compound treatment 0.245 0.0155 0.77 0.252 0.00938 0.51 0.9049 0.9813 1263678 Maybridge3_002727 Nc1nc2CCCCc2c(c1C#N)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L22 compound treatment 0.248 0.0185 0.91 0.251 0.00838 0.46 0.9709 0.9494 2076478 Maybridge3_002728 O=C(NC1CCN(Cc2ccccc2)CC1)C3CN(Cc4ccco4)C(=O)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L23 mock treatment 0.24 0.0105 0.52 0.253 0.0104 0.57 0.769 0.9989 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 L24 mock treatment 0.216 -0.0135 -0.67 0.247 0.00438 0.24 -0.3016 -0.4256 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M01 compound treatment 0.236 0.0065 0.32 0.246 0.00338 0.19 0.358 0.9659 1407350 Maybridge3_002729 Cc1c(cnn1c2ccc(F)cc2)C(=O)NCc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M02 compound treatment 0.248 0.0185 0.91 0.254 0.0114 0.62 1.0872 0.9827 1505029 Maybridge3_002730 Nc1nc2CCCCc2c(c1C#N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M03 compound treatment 0.245 0.0155 0.77 0.246 0.00338 0.19 0.6722 0.8536 1145830 Maybridge3_002731 CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(C)cc(C)cc3[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M04 compound treatment 0.246 0.0165 0.81 0.252 0.00938 0.51 0.9398 0.9754 1213047 Maybridge3_002732 Fc1ccc(CSc2ncnc3n(ncc23)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M05 compound treatment 0.249 0.0195 0.96 0.259 0.0164 0.9 1.3159 0.9994 1397820 Maybridge3_002733 CCOC(=O)C1CCCN(C1)C(=O)c2csc(n2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M06 compound treatment 0.257 0.0275 1.36 0.26 0.0174 0.95 1.634 0.985 2076479 Maybridge3_002734 O=C(NC1Cc2ccccc2C1)c3nnc(o3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M07 compound treatment 0.244 0.0145 0.72 0.25 0.00738 0.4 0.7924 0.9635 1236419 Maybridge3_002735 O=S(=O)(N1CCC2(CC1)OCCO2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M08 compound treatment 0.251 0.0215 1.06 0.25 0.00738 0.4 1.0368 0.9126 1202543 Maybridge3_002736 O=C(NCc1ccncc1)c2ccc(cc2)n3cccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M09 compound treatment 0.247 0.0175 0.86 0.254 0.0114 0.62 1.0522 0.9872 1415125 Maybridge3_002737 Cc1ccc2oc(=O)n(CCC(=O)O)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M10 compound treatment 0.245 0.0155 0.77 0.246 0.00338 0.19 0.6722 0.8536 1500247 Maybridge3_002738 CC(C)N(Cc1ccccc1)C(=O)c2cnn(c2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M11 compound treatment 0.251 0.0215 1.06 0.248 0.00538 0.29 0.9593 0.8706 1432016 Maybridge3_002739 O=S(=O)(Nc1ccccc1N2CCOCC2)c3ccc4CCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M12 compound treatment 0.247 0.0175 0.86 0.249 0.00638 0.35 0.8584 0.9207 2076480 Maybridge3_002740 CN(C1CCCCC1)C(=O)c2c(C)onc2c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M13 compound treatment 0.245 0.0155 0.77 0.255 0.0124 0.68 1.0212 0.9982 1331111 Maybridge3_002741 OC(=O)C1CCN(CC1)C(=O)c2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M14 compound treatment 0.247 0.0175 0.86 0.254 0.0114 0.62 1.0522 0.9872 2076481 Maybridge3_002742 Oc1nnc(SCCS(=O)(=O)c2ccc(F)cc2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M15 compound treatment 0.246 0.0165 0.81 0.249 0.00638 0.35 0.8235 0.9287 2076482 Maybridge3_002743 CC(C)N(Cc1ccccc1)C(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M16 compound treatment 0.297 0.0675 3.33 0.295 0.0524 2.87 4.3877 0.9972 1625093 Maybridge3_002744 CCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M17 compound treatment 0.247 0.0175 0.86 0.256 0.0134 0.73 1.1298 0.9967 1137083 Maybridge3_002745 CC(C)N(Cc1ccccc1)S(=O)(=O)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M18 compound treatment 0.251 0.0215 1.06 0.254 0.0114 0.62 1.1919 0.9679 1615772 Maybridge3_002746 OC(=O)CSCC(=O)Nc1nnc(s1)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M19 compound treatment 0.265 0.0355 1.75 0.275 0.0324 1.78 2.4949 1.0 1256404 Maybridge3_002747 Clc1ccc2c(OCC(=O)c3ccccc3)ncnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M20 compound treatment 0.279 0.0495 2.44 0.311 0.0684 3.75 4.3795 0.9785 1707114 Maybridge3_002748 Oc1ccccc1C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M21 compound treatment 0.26 0.0305 1.51 0.281 0.0384 2.1 2.553 0.9866 1592139 Maybridge3_002749 NC(=O)c1sc2nnc(c3ccccc3)c(c4ccccc4)c2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M22 compound treatment 0.247 0.0175 0.86 0.254 0.0114 0.62 1.0522 0.9872 1538692 Maybridge3_002750 Cc1nc(Nc2ccccc2)sc1C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M23 mock treatment 0.237 0.0075 0.37 0.244 0.00138 0.08 0.3154 0.8343 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 M24 mock treatment 0.212 -0.0175 -0.86 0.246 0.00338 0.19 -0.48 -0.5432 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N01 compound treatment 0.204 -0.0255 -1.26 0.237 -0.00562 -0.31 -1.1083 -0.8549 2076483 Maybridge3_002751 OC(=O)CCCC(=O)Nc1ccc(Oc2cccc(c2)C(F)(F)F)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N02 compound treatment 0.243 0.0135 0.67 0.244 0.00138 0.08 0.5249 0.7823 2076484 Maybridge3_002752 Cc1c(sc2ccc(Cl)cc12)C(=O)CSc3nnc(O)n3c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N03 compound treatment 0.247 0.0175 0.86 0.251 0.00838 0.46 0.9359 0.9563 1288829 Maybridge3_002753 Cc1nnsc1C(=O)Nc2ccccc2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N04 compound treatment 0.246 0.0165 0.81 0.25 0.00738 0.4 0.8622 0.9478 1045516 Maybridge3_002754 O=S(=O)(Nc1cccc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N05 compound treatment 0.242 0.0125 0.62 0.256 0.0134 0.73 0.9552 0.9963 1279312 Maybridge3_002755 N#CCCn1cccc1CN2CCOCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N06 compound treatment 0.247 0.0175 0.86 0.253 0.0104 0.57 1.0135 0.9795 1178385 Maybridge3_002756 CN(CCc1ccccn1)C(=O)c2c(C)onc2c3c(F)cccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N07 compound treatment 0.246 0.0165 0.81 0.254 0.0114 0.62 1.0173 0.9913 2076485 Maybridge3_002757 FC(F)(F)c1ccc(NC(=O)c2cccnc2Oc3ccc(Cl)cc3)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N08 compound treatment 0.247 0.0175 0.86 0.252 0.00938 0.51 0.9747 0.9693 2076486 Maybridge3_002758 COC(=O)c1ccc(COc2ccc(NC(=O)C)cc2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N09 compound treatment 0.244 0.0145 0.72 0.249 0.00638 0.35 0.7536 0.9457 2076487 Maybridge3_002759 CC(c1ccccc1)n2c(O)nnc2SCC(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N10 compound treatment 0.247 0.0175 0.86 0.253 0.0104 0.57 1.0135 0.9795 2076488 Maybridge3_002760 O=C(Nc1ccc(cc1)N2CCCCC2)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N11 compound treatment 0.248 0.0185 0.91 0.253 0.0104 0.57 1.0484 0.9741 1358107 Maybridge3_002761 CC(C)(CC(=O)O)CC(=O)Nc1cc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N12 compound treatment 0.248 0.0185 0.91 0.256 0.0134 0.73 1.1647 0.9941 2076489 Maybridge3_002762 COC(=O)c1sc(cc1NC(=O)c2cc(C)nn2C)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N13 compound treatment 0.251 0.0215 1.06 0.253 0.0104 0.57 1.1531 0.9573 2076490 Maybridge3_002763 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)NCc3ccncc3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N14 compound treatment 0.247 0.0175 0.86 0.248 0.00538 0.29 0.8196 0.8976 2076491 Maybridge3_002764 Cc1ccc(Oc2ncccc2NC(=O)CCCC(=O)O)c3CCCc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N15 compound treatment 0.244 0.0145 0.72 0.253 0.0104 0.57 0.9087 0.9935 1501370 Maybridge3_002765 CC1CC(=O)Nc2ccccc2N1C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N16 compound treatment 0.249 0.0195 0.96 0.259 0.0164 0.9 1.3159 0.9994 2076492 Maybridge3_002766 Cc1cc2c(NC(=O)CSCC(=O)O)cccc2nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N17 compound treatment 0.263 0.0335 1.65 0.263 0.0204 1.12 1.9599 0.9818 1364557 Maybridge3_002767 Cc1noc(C)c1C(=O)Nc2nc3ccc(Cl)cc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N18 compound treatment 0.244 0.0145 0.72 0.245 0.00238 0.13 0.5986 0.8224 2076493 Maybridge3_002768 Clc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N19 compound treatment 0.251 0.0215 1.06 0.247 0.00438 0.24 0.9205 0.8457 1484947 Maybridge3_002769 CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N20 compound treatment 0.245 0.0155 0.77 0.256 0.0134 0.73 1.06 0.9998 2076494 Maybridge3_002770 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N21 compound treatment 0.248 0.0185 0.91 0.252 0.00938 0.51 1.0096 0.9631 2076495 Maybridge3_002771 Oc1nc2CCCCc2c(c3cccs3)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N22 compound treatment 0.244 0.0145 0.72 0.249 0.00638 0.35 0.7536 0.9457 2076496 Maybridge3_002772 CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c3ccc(F)cc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N23 mock treatment 0.24 0.0105 0.52 0.249 0.00638 0.35 0.614 0.9816 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 N24 mock treatment 0.209 -0.0205 -1.01 0.228 -0.0146 -0.8 -1.2827 -0.9933 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O01 compound treatment 0.204 -0.0255 -1.26 0.209 -0.0336 -1.84 -2.1939 -0.9827 1307178 Maybridge3_002773 CC(=O)Nc1ccc(cc1)c2cn3CCSc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O02 compound treatment 0.236 0.0065 0.32 0.252 0.00938 0.51 0.5906 0.9743 1660562 Maybridge3_002774 C=CCn1c(=S)sc2c(Sc3nc4ccccc4[nH]3)ncnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O03 compound treatment 0.245 0.0155 0.77 0.246 0.00338 0.19 0.6722 0.8536 1658618 Maybridge3_002775 Cc1cc(C)c2cc([nH]c2c1)C(=O)N3CCC(CC3)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O04 compound treatment 0.243 0.0135 0.67 0.249 0.00638 0.35 0.7187 0.9547 1728716 Maybridge3_002776 Cc1nn(c2ccccc2)c3[nH]c(=O)c(C#N)c(c4ccccc4)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O05 compound treatment 0.236 0.0065 0.32 0.255 0.0124 0.68 0.7069 0.9415 1192628 Maybridge3_002777 CCOC(=O)C1CCCN(C1)C(=O)c2ccc(OC)c(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O06 compound treatment 0.257 0.0275 1.36 0.266 0.0234 1.28 1.8667 0.9996 1528426 Maybridge3_002778 CC1CN(Cc2ccccc2)CCN1C(=O)c3csc(n3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O07 compound treatment 0.24 0.0105 0.52 0.248 0.00538 0.29 0.5752 0.9642 1608139 Maybridge3_002779 O=S(=O)(N1CCC2(CC1)OCCO2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O08 compound treatment 0.237 0.0075 0.37 0.255 0.0124 0.68 0.7418 0.9594 1490075 Maybridge3_002780 O=C(N1CCc2ccccc2C1)c3ccc(cc3)n4cccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O09 compound treatment 0.235 0.0055 0.27 0.246 0.00338 0.19 0.3231 0.9826 1191348 Maybridge3_002781 Cc1cccc(NC(=O)c2cccs2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O10 compound treatment 0.234 0.0045 0.22 0.248 0.00538 0.29 0.3657 0.9903 2076497 Maybridge3_002782 CC(C)N(Cc1ccccc1)C(=O)c2cccc(C)c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O11 compound treatment 0.24 0.0105 0.52 0.246 0.00338 0.19 0.4977 0.9038 2076498 Maybridge3_002783 Clc1cc(c(Cl)s1)S(=O)(=O)Nc2ccccc2N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O12 compound treatment 0.246 0.0165 0.81 0.255 0.0124 0.68 1.0561 0.9959 2076499 Maybridge3_002784 CN(C1CCCCC1)C(=O)c2cc(Cl)cc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O13 compound treatment 0.236 0.0065 0.32 0.261 0.0184 1.01 0.9395 0.8884 1249583 Maybridge3_002785 OC(=O)C1CCN(CC1)C(=O)c2cc(F)cc3COCOc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O14 compound treatment 0.236 0.0065 0.32 0.251 0.00838 0.46 0.5518 0.9846 2076500 Maybridge3_002786 Oc1nnc(SCC(=O)Nc2ccccc2)n1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O15 compound treatment 0.245 0.0155 0.77 0.25 0.00738 0.4 0.8273 0.9556 2076501 Maybridge3_002787 CC(C)N(Cc1ccccc1)C(=O)c2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O16 compound treatment 0.25 0.0205 1.01 0.265 0.0224 1.23 1.5835 0.9954 1478561 Maybridge3_002788 CCOC(=O)N1CCc2c(C(=O)c3ccc(OC)cc3)c(N)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O17 compound treatment 0.234 0.0045 0.22 0.255 0.0124 0.68 0.6371 0.892 1380598 Maybridge3_002789 O=C1N(C(=O)C2=C1SCCS2)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O18 compound treatment 0.248 0.0185 0.91 0.253 0.0104 0.57 1.0484 0.9741 1733710 Maybridge3_002790 O=S(=O)(Nc1nnc(s1)C2CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O19 compound treatment 0.242 0.0125 0.62 0.248 0.00538 0.29 0.645 0.9429 1485477 Maybridge3_002791 OC(COc1ncnc2cc(Cl)ccc12)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O20 compound treatment 0.247 0.0175 0.86 0.256 0.0134 0.73 1.1298 0.9967 2076502 Maybridge3_002792 Cc1nnsc1c2nnc(o2)c3ccc(cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O21 compound treatment 0.227 -0.0025 -0.12 0.249 0.00638 0.35 0.16 0.4314 2076503 Maybridge3_002793 Cc1n[nH]c2OC(=C(C#N)C(c12)c3ccccc3)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O22 compound treatment 0.225 -0.0045 -0.22 0.254 0.0114 0.62 0.2841 0.4289 1403565 Maybridge3_002794 CN(C1CCCCC1)S(=O)(=O)c2c(C)noc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O23 mock treatment 0.236 0.0065 0.32 0.245 0.00238 0.13 0.3192 0.9213 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 O24 mock treatment 0.193 -0.0365 -1.8 0.22 -0.0226 -1.24 -2.1515 -0.9834 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P01 compound treatment 0.17 -0.0595 -2.94 0.189 -0.0536 -2.94 -4.1565 -1.0 2076504 Maybridge3_002795 OC(=O)CSCC(=O)Nc1ccc(Oc2cccc(c2)C(F)(F)F)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P02 compound treatment 0.198 -0.0315 -1.56 0.196 -0.0466 -2.56 -2.9074 -0.9716 2076505 Maybridge3_002796 Oc1nnc(SCC(=O)c2ccc(F)cc2)n1C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P03 compound treatment 0.201 -0.0285 -1.41 0.203 -0.0396 -2.17 -2.5313 -0.9779 1191677 Maybridge3_002797 Cc1cc(no1)C(=O)Nc2ccccc2N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P04 compound treatment 0.209 -0.0205 -1.01 0.209 -0.0336 -1.84 -2.0193 -0.9602 1370774 Maybridge3_002798 O=C(Nc1ccccc1)c2ccc3OCCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P05 compound treatment 0.185 -0.0445 -2.2 0.205 -0.0376 -2.06 -3.0124 -0.9995 2076506 Maybridge3_002799 CC(=O)Nc1cccc(OCCCN2CCS(=O)(=O)CC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P06 compound treatment 0.215 -0.0145 -0.72 0.224 -0.0186 -1.02 -1.2282 -0.9849 1595192 Maybridge3_002800 CN(CCc1ccccn1)S(=O)(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P07 compound treatment 0.207 -0.0225 -1.11 0.215 -0.0276 -1.51 -1.8565 -0.9884 2076507 Maybridge3_002801 OC(=O)c1ccccc1C(=O)Nc2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P08 compound treatment 0.199 -0.0305 -1.51 0.215 -0.0276 -1.51 -2.1359 -1.0 2076508 Maybridge3_002802 COC(=O)c1ccc(cc1)c2cn3cccnc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P09 compound treatment 0.205 -0.0245 -1.21 0.218 -0.0246 -1.35 -1.81 -0.9985 2076509 Maybridge3_002803 Oc1nnc(SCC(=O)Nc2ccccc2)n1C3Cc4ccccc4C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P10 compound treatment 0.215 -0.0145 -0.72 0.225 -0.0176 -0.97 -1.1895 -0.9891 2076510 Maybridge3_002804 Clc1ccc2[nH]c(cc2c1)C(=O)NCc3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P11 compound treatment 0.203 -0.0265 -1.31 0.217 -0.0256 -1.4 -1.9187 -0.9994 1653704 Maybridge3_002805 OC(=O)CCCC(=O)Nc1cc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P12 compound treatment 0.225 -0.0045 -0.22 0.224 -0.0186 -1.02 -0.8791 -0.8413 2076511 Maybridge3_002806 C1SC(CC12Nc3ccccc3S2)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P13 compound treatment 0.207 -0.0225 -1.11 0.222 -0.0206 -1.13 -1.5851 -1.0 1230307 Maybridge3_002807 Clc1ccc(OCC(=O)Nc2ccc3OCCOc3c2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P14 compound treatment 0.212 -0.0175 -0.86 0.217 -0.0256 -1.4 -1.6044 -0.9728 2076512 Maybridge3_002808 Cc1ccc(Oc2ncccc2NC(=O)c3ccco3)c4CCCc41 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P15 compound treatment 0.213 -0.0165 -0.81 0.221 -0.0216 -1.19 -1.4144 -0.9833 1148749 Maybridge3_002809 CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P16 compound treatment 0.206 -0.0235 -1.16 0.237 -0.00562 -0.31 -1.0385 -0.8649 2076513 Maybridge3_002810 Cc1cc2c(NC(=O)c3ccccc3C(=O)O)cccc2nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P17 compound treatment 0.219 -0.0105 -0.52 0.232 -0.0106 -0.58 -0.7784 -0.9983 1303417 Maybridge3_002811 O=C(Nc1ccc2[nH]ccc2c1)c3cccnc3Sc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P18 compound treatment 0.21 -0.0195 -0.96 0.211 -0.0316 -1.73 -1.9068 -0.9615 1760441 Maybridge3_002812 O=C(NCc1cccs1)c2ccc3nccnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P19 compound treatment 0.2 -0.0295 -1.46 0.208 -0.0346 -1.9 -2.3723 -0.9915 1120072 Maybridge3_002813 CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(s2)c3csc(C)n3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P20 compound treatment 0.194 -0.0355 -1.75 0.217 -0.0256 -1.4 -2.2329 -0.994 1323497 Maybridge3_002814 O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P21 compound treatment 0.182 -0.0475 -2.35 0.201 -0.0416 -2.28 -3.2723 -0.9999 1359634 Maybridge3_002815 C=CCn1c(=S)sc2c(ncnc12)C(C#N)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P22 compound treatment 0.175 -0.0545 -2.69 0.197 -0.0456 -2.5 -3.6718 -0.9993 1548098 Maybridge3_002816 CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P23 mock treatment 0.189 -0.0405 -2.0 0.195 -0.0476 -2.61 -3.2605 -0.9913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1438 P24 mock treatment 0.199 -0.0305 -1.51 0.189 -0.0536 -2.94 -3.1439 -0.9517 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A01 compound treatment 0.189 -0.0593 -2.93 0.185 -0.0539 -2.96 -4.1627 -1.0 2076514 Maybridge3_002817 CC1CC(=O)Nc2ccccc2N1C(=O)c3cc(Cl)sc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A02 compound treatment 0.21 -0.0383 -1.89 0.212 -0.0269 -1.48 -2.3826 -0.9925 2076515 Maybridge3_002818 COc1ccc(NCc2ccc[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A03 compound treatment 0.236 -0.0123 -0.61 0.218 -0.0209 -1.15 -1.2422 -0.9561 2076516 Maybridge3_002819 FC(F)(F)c1ccc(cc1)c2nnc(o2)c3ccc4nccnc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A04 compound treatment 0.228 -0.0203 -1.0 0.22 -0.0189 -1.04 -1.444 -0.9999 2076517 Maybridge3_002820 CC(C)(C)c1ccc(NC(=O)c2ccsc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A05 compound treatment 0.21 -0.0383 -1.89 0.204 -0.0349 -1.92 -2.6928 -1.0 1249645 Maybridge3_002821 CCC1c2c(Oc3c1c(=O)oc4ccccc34)nc(C)[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A06 compound treatment 0.217 -0.0313 -1.55 0.214 -0.0249 -1.37 -2.0607 -0.9981 1289349 Maybridge3_002822 Clc1cc(c(Cl)s1)S(=O)(=O)NCC2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A07 compound treatment 0.236 -0.0123 -0.61 0.218 -0.0209 -1.15 -1.2422 -0.9561 2076518 Maybridge3_002823 O=C1N(Cc2ccc3nsnc3c2)S(=O)(=O)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A08 compound treatment 0.249 6.67E-4 0.03 0.24 0.00107 0.06 0.0647 0.9628 2076519 Maybridge3_002824 COc1ccc(cc1)c2nnsc2NC(=O)c3ccccc3CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A09 compound treatment 0.237 -0.0113 -0.56 0.232 -0.00693 -0.38 -0.6645 -0.9822 2076520 Maybridge3_002825 COc1ccccc1CC(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A10 compound treatment 0.219 -0.0293 -1.45 0.199 -0.0399 -2.19 -2.5724 -0.9799 2076521 Maybridge3_002826 OC(=O)COCc1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A11 compound treatment 0.235 -0.0133 -0.66 0.225 -0.0139 -0.76 -1.0057 -0.9973 1113215 Maybridge3_002827 O=C1Nc2ccccc2C1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A12 compound treatment 0.213 -0.0353 -1.74 0.211 -0.0279 -1.53 -2.3167 -0.9979 1054438 Maybridge3_002828 OC(=O)c1cccc(CC=C)c1O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A13 compound treatment 0.239 -0.00933 -0.46 0.249 0.0101 0.55 0.0645 0.0897 2076522 Maybridge3_002829 COc1cccc(c1)C(=O)Nc2n[nH]c(SCc3ccc(Cl)cc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A14 compound treatment 0.222 -0.0263 -1.3 0.216 -0.0229 -1.26 -1.8086 -0.9999 2076523 Maybridge3_002830 CCOC(=O)c1nnc(o1)c2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A15 compound treatment 0.206 -0.0423 -2.09 0.222 -0.0169 -0.93 -2.1346 -0.9332 2076524 Maybridge3_002831 Cn1nc(cc1NC(=O)C2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A16 compound treatment 0.235 -0.0133 -0.66 0.226 -0.0129 -0.71 -0.9669 -0.9993 2076525 Maybridge3_002832 CCCSc1ncccc1C(=O)Nc2cccc3nonc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A17 compound treatment 0.322 0.0737 3.64 0.298 0.0591 3.24 4.8624 0.9983 2076526 Maybridge3_002833 O=c1[nH]c(cc(c2ccco2)c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A18 compound treatment 0.236 -0.0123 -0.61 0.23 -0.00893 -0.49 -0.7769 -0.9942 2076527 Maybridge3_002834 Clc1ccc(cc1)C2=NOC(C2)C(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A19 compound treatment 0.226 -0.0223 -1.1 0.234 -0.00493 -0.27 -0.971 -0.8551 2076528 Maybridge3_002835 OC(=O)CCc1ccc2OCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A20 compound treatment 0.232 -0.0163 -0.81 0.232 -0.00693 -0.38 -0.839 -0.941 2076529 Maybridge3_002836 C=CCSc1nnc2NCCCn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A21 compound treatment 0.2 -0.0483 -2.39 0.202 -0.0369 -2.02 -3.1195 -0.9967 2076530 Maybridge3_002837 Oc1ccccc1C(=O)NC(=O)c2ccc(F)cc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A22 compound treatment 0.195 -0.0533 -2.63 0.19 -0.0489 -2.68 -3.7594 -1.0 2076531 Maybridge3_002838 C/C(=C\1/CCOC1=O)/Nc2ccccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A23 mock treatment 0.234 -0.0143 -0.71 0.214 -0.0249 -1.37 -1.4671 -0.9531 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 A24 mock treatment 0.185 -0.0633 -3.13 0.191 -0.0479 -2.63 -4.0698 -0.9963 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B01 compound treatment 0.227 -0.0213 -1.05 0.196 -0.0429 -2.35 -2.4094 -0.9343 2076532 Maybridge3_002839 CSc1ncnc2n(Cc3ccccc3)nnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B02 compound treatment 0.25 0.00167 0.08 0.249 0.0101 0.55 0.4486 0.8036 1077132 Maybridge3_002840 COc1ccc2c(OC)cccc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B03 compound treatment 0.251 0.00267 0.13 0.249 0.0101 0.55 0.4835 0.8519 2076533 Maybridge3_002841 Clc1ccc(COc2ccncc2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B04 compound treatment 0.254 0.00567 0.28 0.252 0.0131 0.72 0.7046 0.9159 1396844 Maybridge3_002842 CCS(=O)CC(=O)Nc1c(oc2ccccc2c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B05 compound treatment 0.257 0.00867 0.43 0.255 0.0161 0.88 0.9256 0.945 2076534 Maybridge3_002843 CSc1nnc(c2sc3nc(C)cc(C)c3c2N)n1Cc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B06 compound treatment 0.261 0.0127 0.63 0.254 0.0151 0.83 1.0265 0.9906 2076535 Maybridge3_002844 Fc1ccc(cc1)C(=O)/C=C/OC(=O)c2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B07 compound treatment 0.298 0.0497 2.45 0.288 0.0491 2.69 3.6367 0.9989 2076536 Maybridge3_002845 Nc1nc(ncc1C#N)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B08 compound treatment 0.293 0.0447 2.21 0.279 0.0401 2.2 3.1132 1.0 2076537 Maybridge3_002846 CN(C)c1ccc(/C=C/c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B09 compound treatment 0.268 0.0197 0.97 0.264 0.0251 1.37 1.6587 0.9855 2076538 Maybridge3_002847 CCOC(=O)CSc1nc(NC)c2c3CCCCc3sc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B10 compound treatment 0.262 0.0137 0.67 0.261 0.0221 1.21 1.3328 0.962 2076539 Maybridge3_002848 CC(=O)Oc1c(sc2ccccc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B11 compound treatment 0.247 -0.00133 -0.07 0.248 0.00907 0.5 0.3051 0.6082 2076540 Maybridge3_002849 COc1cccc(Nc2ncc(C#N)c(N)n2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B12 compound treatment 0.252 0.00367 0.18 0.253 0.0141 0.77 0.6735 0.85 2076541 Maybridge3_002850 CC1(C)OC2OC(CO)C(O)C(O)C2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B13 compound treatment 0.259 0.0107 0.53 0.254 0.0151 0.83 0.9567 0.9764 2076542 Maybridge3_002851 Nc1ncc(cc1C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B14 compound treatment 0.25 0.00167 0.08 0.247 0.00807 0.44 0.371 0.8245 2076543 Maybridge3_002852 CCSC(=O)NCc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B15 compound treatment 0.25 0.00167 0.08 0.252 0.0131 0.72 0.5649 0.7832 2076544 Maybridge3_002853 CCOC(=O)Cn1sc2nc(C)cc(C)c2c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B16 compound treatment 0.257 0.00867 0.43 0.252 0.0131 0.72 0.8093 0.9696 1548418 Maybridge3_002854 Fc1ccccc1CC(=O)NCCc2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B17 compound treatment 0.288 0.0397 1.96 0.283 0.0441 2.42 3.0937 0.9946 2076545 Maybridge3_002855 Cc1ccccc1n2cc(nc2SCC(=O)N)c3ccc(Br)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B18 compound treatment 0.316 0.0677 3.34 0.316 0.0771 4.23 5.3508 0.9932 1022389 Maybridge3_002856 CN(C)c1ccc(cc1)C(=S)c2ccc(cc2)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B19 compound treatment 0.35 0.102 5.02 0.303 0.0641 3.51 6.034 0.9848 2076546 Maybridge3_002857 Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc3nnc(s3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B20 compound treatment 0.252 0.00367 0.18 0.25 0.0111 0.61 0.5572 0.8797 1291803 Maybridge3_002858 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c3ccoc3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B21 compound treatment 0.258 0.00967 0.48 0.258 0.0191 1.05 1.0769 0.9369 2076547 Maybridge3_002859 Nc1nc(cc(c2cccs2)c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B22 compound treatment 0.25 0.00167 0.08 0.247 0.00807 0.44 0.371 0.8245 1707826 Maybridge3_002860 OCC(CO)NC(=O)OCC1c2ccccc2-c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B23 mock treatment 0.251 0.00267 0.13 0.248 0.00907 0.5 0.4447 0.8646 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 B24 mock treatment 0.21 -0.0383 -1.89 0.242 0.00307 0.17 -1.2195 -0.6417 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C01 compound treatment 0.224 -0.0243 -1.2 0.23 -0.00893 -0.49 -1.1959 -0.9217 2076548 Maybridge3_002861 Cc1nnsc1C(=O)NCc2ccc(cc2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C02 compound treatment 0.239 -0.00933 -0.46 0.238 -9.31E-4 -0.05 -0.362 -0.7807 2076549 Maybridge3_002862 COc1ccc(cc1)N(Cc2ccccn2)C(=O)c3ccc(F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C03 compound treatment 0.24 -0.00833 -0.41 0.238 -9.31E-4 -0.05 -0.3271 -0.7888 2076550 Maybridge3_002863 CCOC(=O)c1cnn(C(=O)c2cccc3ccccc23)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C04 compound treatment 0.24 -0.00833 -0.41 0.24 0.00107 0.06 -0.2495 -0.6003 2076551 Maybridge3_002864 O=C(NCc1ccco1)c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C05 compound treatment 0.239 -0.00933 -0.46 0.234 -0.00493 -0.27 -0.5171 -0.9677 2076552 Maybridge3_002865 C=CCn1c(=S)sc2c(ncnc12)N3CCN(CC3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C06 compound treatment 0.238 -0.0103 -0.51 0.237 -0.00193 -0.11 -0.4357 -0.836 1509965 Maybridge3_002866 O=S(=O)(NCC1COc2ccccc2O1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C07 compound treatment 0.238 -0.0103 -0.51 0.239 6.9E-5 0.0 -0.3581 -0.7018 2076553 Maybridge3_002867 Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C08 compound treatment 0.253 0.00467 0.23 0.25 0.0111 0.61 0.5921 0.9121 2076554 Maybridge3_002868 CCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C09 compound treatment 0.276 0.0277 1.37 0.264 0.0251 1.37 1.938 1.0 2076555 Maybridge3_002869 Oc1ccccc1C(=O)NC(=O)c2sc3ccccc3c2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C10 compound treatment 0.236 -0.0123 -0.61 0.237 -0.00193 -0.11 -0.5055 -0.8178 2076556 Maybridge3_002870 CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C11 compound treatment 0.298 0.0497 2.45 0.31 0.0711 3.9 4.4896 0.9751 2076557 Maybridge3_002871 c1snnc1c2ccc(cc2)c3nc(cs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C12 compound treatment 0.263 0.0147 0.72 0.257 0.0181 0.99 1.2127 0.9881 2076558 Maybridge3_002872 Clc1ccc(cc1)n2ncc(n2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C13 compound treatment 0.242 -0.00633 -0.31 0.24 0.00107 0.06 -0.1797 -0.5648 1294098 Maybridge3_002873 Cc1onc(c1C(=O)N2CCCc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C14 compound treatment 0.273 0.0247 1.22 0.274 0.0351 1.92 2.2209 0.9757 2076559 Maybridge3_002874 N(c1nnc(o1)c2cccc3ccccc23)c4cccnc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C15 compound treatment 0.237 -0.0113 -0.56 0.241 0.00207 0.11 -0.3155 -0.5525 2076560 Maybridge3_002875 Cn1nc(cc1NC(=O)CCCC(=O)O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C16 compound treatment 0.248 -3.33E-4 -0.02 0.25 0.0111 0.61 0.4175 0.6877 2076561 Maybridge3_002876 CCCSc1ncccc1C(=O)Nc2cc(C)no2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C17 compound treatment 0.341 0.0927 4.58 0.377 0.138 7.57 8.5887 0.9709 1213370 Maybridge3_002877 O=c1[nH]c(cc(c2ccco2)c1C#N)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C18 compound treatment 0.245 -0.00333 -0.16 0.247 0.00807 0.44 0.1964 0.4162 2076562 Maybridge3_002878 O=C(OCC1CC(=NO1)c2ccccc2)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C19 compound treatment 0.239 -0.00933 -0.46 0.24 0.00107 0.06 -0.2845 -0.6123 2076563 Maybridge3_002879 C/C(=N\O)/C(C)(C)NCCc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C20 compound treatment 0.239 -0.00933 -0.46 0.243 0.00407 0.22 -0.1681 -0.3284 2076564 Maybridge3_002880 CCOC(=O)CSc1nnc(c2ccncc2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C21 compound treatment 0.238 -0.0103 -0.51 0.24 0.00107 0.06 -0.3194 -0.6218 2076565 Maybridge3_002881 CCC1(CCCCNC1=O)c2cccc(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C22 compound treatment 0.232 -0.0163 -0.81 0.229 -0.00993 -0.54 -0.9554 -0.9817 2076566 Maybridge3_002882 C/C(=C\1/CCOC1=O)/Nc2ccccc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C23 mock treatment 0.236 -0.0123 -0.61 0.236 -0.00293 -0.16 -0.5443 -0.8641 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 C24 mock treatment 0.235 -0.0133 -0.66 0.214 -0.0249 -1.37 -1.4322 -0.9439 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D01 compound treatment 0.243 -0.00533 -0.26 0.222 -0.0169 -0.93 -0.8427 -0.8733 2076567 Maybridge3_002883 S=c1[nH]cnc2n(Cc3ccccc3)nnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D02 compound treatment 0.253 0.00467 0.23 0.252 0.0131 0.72 0.6696 0.8896 2076568 Maybridge3_002884 O=C(NC1CCCCC1)SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D03 compound treatment 0.253 0.00467 0.23 0.251 0.0121 0.66 0.6309 0.9003 2076569 Maybridge3_002885 CC(C)(C)OC(=O)N1C(COC1(C)C)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D04 compound treatment 0.255 0.00667 0.33 0.256 0.0171 0.94 0.8946 0.9017 1721183 Maybridge3_002886 Clc1ccc2C(=O)CC(Oc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D05 compound treatment 0.274 0.0257 1.27 0.273 0.0341 1.87 2.2171 0.9821 2076570 Maybridge3_002887 CCOC(=O)c1nnn2c1nc(SCC=C)c3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D06 compound treatment 0.244 -0.00433 -0.21 0.246 0.00707 0.39 0.1228 0.2773 1280047 Maybridge3_002888 CC1(C)Oc2cc(OCC(=O)Nc3ccccc3)ccc2C=C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D07 compound treatment 0.253 0.00467 0.23 0.254 0.0151 0.83 0.7472 0.8711 2076571 Maybridge3_002889 C=CCC(C(=O)N1CCc2ccccc12)C(=O)N3CCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D08 compound treatment 0.255 0.00667 0.33 0.257 0.0181 0.99 0.9333 0.894 2076572 Maybridge3_002890 CC(C)(C)C(Cc1ccccc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D09 compound treatment 0.256 0.00767 0.38 0.252 0.0131 0.72 0.7744 0.9555 2076573 Maybridge3_002891 Nc1c(cnn1c2ccccc2)c3nnc(SCc4ccc(Cl)cc4)o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D10 compound treatment 0.247 -0.00133 -0.07 0.245 0.00607 0.33 0.1887 0.5564 2076574 Maybridge3_002892 COC(=O)c1ccccc1S(=O)(=O)Cc2ccc(OC)c(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D11 compound treatment 0.274 0.0257 1.27 0.269 0.0301 1.65 2.062 0.9916 2076575 Maybridge3_002893 C=CCn1c2ccccc2c3nn4cnnc4nc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D12 compound treatment 0.257 0.00867 0.43 0.262 0.0231 1.26 1.197 0.8964 2076576 Maybridge3_002894 O=C(OCC#N)c1ccc(cc1)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D13 compound treatment 0.255 0.00667 0.33 0.249 0.0101 0.55 0.6232 0.9695 2076577 Maybridge3_002895 CCOC(=O)N1CCc2c(C1)sc3nc[nH]c(=O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D14 compound treatment 0.245 -0.00333 -0.16 0.249 0.0101 0.55 0.274 0.4756 2076578 Maybridge3_002896 O=C(NC1CCCCC1)Sc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D15 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076579 Maybridge3_002897 Cc1cc(C)c2c(=O)n(sc2n1)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D16 compound treatment 0.262 0.0137 0.67 0.263 0.0241 1.32 1.4104 0.9515 2076580 Maybridge3_002898 O=C(Oc1ccc(Oc2ccccc2)cc1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D17 compound treatment 0.266 0.0177 0.87 0.265 0.0261 1.43 1.6276 0.972 2076581 Maybridge3_002899 O=C(CSc1ncnc2sc(cc12)c3ccccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D18 compound treatment 0.249 6.67E-4 0.03 0.251 0.0121 0.66 0.4912 0.7414 1261683 Maybridge3_002900 COc1ccc(cc1)C(O)(C2CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D19 compound treatment 0.251 0.00267 0.13 0.252 0.0131 0.72 0.5998 0.8233 2076582 Maybridge3_002901 OC(=O)CSc1nnc([nH]1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D20 compound treatment 0.25 0.00167 0.08 0.247 0.00807 0.44 0.371 0.8245 1490238 Maybridge3_002902 Cc1ccc(Sc2ccccc2C(=O)O)c(c1)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D21 compound treatment 0.245 -0.00333 -0.16 0.246 0.00707 0.39 0.1577 0.3744 2076583 Maybridge3_002903 COc1ccc(cc1)c2cc(c3ccccc3)c4c(N)ncnc4n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D22 compound treatment 0.248 -3.33E-4 -0.02 0.247 0.00807 0.44 0.3012 0.6803 2076584 Maybridge3_002904 CC(=O)OC1CSSCC1OC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D23 mock treatment 0.245 -0.00333 -0.16 0.249 0.0101 0.55 0.274 0.4756 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 D24 mock treatment 0.245 -0.00333 -0.16 0.239 6.9E-5 0.0 -0.1137 -0.6907 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E01 compound treatment 0.247 -0.00133 -0.07 0.231 -0.00793 -0.43 -0.354 -0.805 2076585 Maybridge3_002905 FC(F)(F)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E02 compound treatment 0.249 6.67E-4 0.03 0.25 0.0111 0.61 0.4524 0.7444 2076586 Maybridge3_002906 CCOC(=O)N1CCC(CC1)NS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E03 compound treatment 0.249 6.67E-4 0.03 0.25 0.0111 0.61 0.4524 0.7444 1731255 Maybridge3_002907 Cc1cc(on1)c2ccccc2C(=O)NC3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E04 compound treatment 0.257 0.00867 0.43 0.25 0.0111 0.61 0.7318 0.9854 2076587 Maybridge3_002908 Clc1ccc(CSc2nc(NS(=O)(=O)c3ccccc3)n[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E05 compound treatment 0.251 0.00267 0.13 0.25 0.0111 0.61 0.5223 0.841 1589685 Maybridge3_002909 CN1CCN(CC1)c2nc(C)nc3n(c4ccccc4)c(=S)sc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E06 compound treatment 0.25 0.00167 0.08 0.251 0.0121 0.66 0.5261 0.789 2076588 Maybridge3_002910 COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E07 compound treatment 0.286 0.0377 1.86 0.271 0.0321 1.76 2.5586 0.9996 2076589 Maybridge3_002911 Cc1ccc(cc1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E08 compound treatment 0.296 0.0477 2.35 0.279 0.0401 2.2 3.2179 0.9994 2076590 Maybridge3_002912 Clc1ccc(cc1)c2nc3ccccc3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E09 compound treatment 0.273 0.0247 1.22 0.273 0.0341 1.87 2.1822 0.9785 2076591 Maybridge3_002913 Cc1ccc(Oc2ncccc2C(=O)NC(=O)c3ccccc3O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E10 compound treatment 0.255 0.00667 0.33 0.254 0.0151 0.83 0.817 0.9186 2076592 Maybridge3_002914 COc1cccc(Cc2nnc(o2)c3ccc4OCOc4c3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E11 compound treatment 0.253 0.00467 0.23 0.256 0.0171 0.94 0.8247 0.8557 2076593 Maybridge3_002915 CS(=O)(=O)c1ccc(cc1)c2csc(n2)c3ccc(cc3)c4csnn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E12 compound treatment 0.252 0.00367 0.18 0.255 0.0161 0.88 0.751 0.835 2076594 Maybridge3_002916 Nc1nn(nc1C(=O)c2ccccc2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E13 compound treatment 0.264 0.0157 0.77 0.257 0.0181 0.99 1.2476 0.9925 2076595 Maybridge3_002917 Cc1nc(sc1C(=O)N2CCCc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E14 compound treatment 0.251 0.00267 0.13 0.252 0.0131 0.72 0.5998 0.8233 2076596 Maybridge3_002918 C/C(=N\O)/C(C)(C)Nc1ccc2OCOc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E15 compound treatment 0.252 0.00367 0.18 0.252 0.0131 0.72 0.6347 0.8588 2076597 Maybridge3_002919 Cn1nc(cc1NC(=O)c2ccccc2C(=O)O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E16 compound treatment 0.249 6.67E-4 0.03 0.252 0.0131 0.72 0.53 0.7388 2076598 Maybridge3_002920 FC(F)(F)c1ccc(NS(=O)(=O)c2ccccc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E17 compound treatment 0.277 0.0287 1.42 0.289 0.0501 2.75 2.9422 0.9525 1509251 Maybridge3_002921 O=c1[nH]c(cc(c2ccco2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E18 compound treatment 0.256 0.00767 0.38 0.26 0.0211 1.16 1.0846 0.8922 2076599 Maybridge3_002922 O(c1ccccn1)c2cccc3cccnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E19 compound treatment 0.245 -0.00333 -0.16 0.249 0.0101 0.55 0.274 0.4756 2076600 Maybridge3_002923 C/C(=N\O)/C(C)(C)Nc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E20 compound treatment 0.249 6.67E-4 0.03 0.252 0.0131 0.72 0.53 0.7388 2076601 Maybridge3_002924 CC1CCc2c(C#N)c(NC(=O)CSc3nccn3C)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E21 compound treatment 0.255 0.00667 0.33 0.251 0.0121 0.66 0.7007 0.948 2076602 Maybridge3_002925 Cc1ccc(cc1)c2nc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E22 compound treatment 0.225 -0.0233 -1.15 0.221 -0.0179 -0.98 -1.5099 -0.9969 2076603 Maybridge3_002926 C/C(=C\1/CCOC1=O)/Nc2ccc(F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E23 mock treatment 0.245 -0.00333 -0.16 0.25 0.0111 0.61 0.3128 0.4974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 E24 mock treatment 0.248 -3.33E-4 -0.02 0.246 0.00707 0.39 0.2624 0.6765 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F01 compound treatment 0.24 -0.00833 -0.41 0.226 -0.0129 -0.71 -0.7923 -0.9665 2076604 Maybridge3_002927 FC(F)(F)c1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F02 compound treatment 0.253 0.00467 0.23 0.253 0.0141 0.77 0.7084 0.8799 2076605 Maybridge3_002928 CC(C)(C)NC(=O)Oc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F03 compound treatment 0.256 0.00767 0.38 0.256 0.0171 0.94 0.9295 0.9207 2076606 Maybridge3_002929 CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F04 compound treatment 0.255 0.00667 0.33 0.257 0.0181 0.99 0.9333 0.894 2076607 Maybridge3_002930 OC1C(Oc2ccccc2C1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F05 compound treatment 0.254 0.00567 0.28 0.248 0.00907 0.5 0.5495 0.963 2076608 Maybridge3_002931 Clc1ccc(cc1)n2c(Cn3nnc4ccccc34)nnc2SCC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F06 compound treatment 0.265 0.0167 0.82 0.266 0.0271 1.48 1.6314 0.9613 2076609 Maybridge3_002932 CC1=C(C#N)C(C2=C(N1)c3ccccc3C2=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F07 compound treatment 0.264 0.0157 0.77 0.259 0.0201 1.1 1.3251 0.9851 2076610 Maybridge3_002933 Clc1ccc(cc1)c2c(C#N)c(=O)[nH]c-3c2COc4ccccc43 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F08 compound treatment 0.263 0.0147 0.72 0.259 0.0201 1.1 1.2902 0.9794 2076611 Maybridge3_002934 c1ccc(nc1)c2nccnc2c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F09 compound treatment 0.251 0.00267 0.13 0.256 0.0171 0.94 0.7549 0.7987 1607073 Maybridge3_002935 Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)n(n1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F10 compound treatment 0.254 0.00567 0.28 0.25 0.0111 0.61 0.627 0.9382 1489868 Maybridge3_002936 COc1ccc(cc1OC)C(=O)CC(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F11 compound treatment 0.251 0.00267 0.13 0.253 0.0141 0.77 0.6386 0.816 2076612 Maybridge3_002937 CC1=Nn2c(nnc2SC1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F12 compound treatment 0.257 0.00867 0.43 0.259 0.0201 1.1 1.0807 0.9153 1251199 Maybridge3_002938 O=c1cc(oc2ccc(cc12)c3nnn[nH]3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F13 compound treatment 0.262 0.0137 0.67 0.255 0.0161 0.88 1.1002 0.9913 1625565 Maybridge3_002939 Nc1sc(cc1C(=O)O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F14 compound treatment 0.254 0.00567 0.28 0.255 0.0161 0.88 0.8209 0.888 1012288 Maybridge3_002940 NC(C1CCCCC1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F15 compound treatment 0.256 0.00767 0.38 0.258 0.0191 1.05 1.007 0.9056 2076613 Maybridge3_002941 Cc1cc(C)c2c(=O)n(sc2n1)C(=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F16 compound treatment 0.261 0.0127 0.63 0.266 0.0271 1.48 1.4918 0.9262 1228625 Maybridge3_002942 COc1cccc(OC)c1CCOC(=O)c2c(F)cccc2F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F17 compound treatment 0.272 0.0237 1.17 0.276 0.0371 2.03 2.2636 0.9655 2076614 Maybridge3_002943 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F18 compound treatment 0.252 0.00367 0.18 0.26 0.0211 1.16 0.9449 0.8081 2076615 Maybridge3_002944 FC(F)(F)c1ccc(cc1)N2CCCCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F19 compound treatment 0.26 0.0117 0.58 0.254 0.0151 0.83 0.9916 0.9845 2076616 Maybridge3_002945 NC(=O)CSc1nc(CN2c3ccccc3Sc4ccccc24)n[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F20 compound treatment 0.257 0.00867 0.43 0.256 0.0171 0.94 0.9644 0.9371 1601566 Maybridge3_002946 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)C3CCC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F21 compound treatment 0.257 0.00867 0.43 0.262 0.0231 1.26 1.197 0.8964 2076617 Maybridge3_002947 COc1ccc(/C=C(\C#N)/c2cccc(Cl)c2)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F22 compound treatment 0.25 0.00167 0.08 0.252 0.0131 0.72 0.5649 0.7832 2076618 Maybridge3_002948 O=C(OC1CSSCC1OC(=O)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F23 mock treatment 0.252 0.00367 0.18 0.251 0.0121 0.66 0.596 0.8687 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 F24 mock treatment 0.252 0.00367 0.18 0.24 0.00107 0.06 0.1695 0.8905 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G01 compound treatment 0.245 -0.00333 -0.16 0.237 -0.00193 -0.11 -0.1913 -0.9772 2076619 Maybridge3_002949 Cn1nc(cc1NC(=O)c2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G02 compound treatment 0.251 0.00267 0.13 0.255 0.0161 0.88 0.7161 0.8039 2076620 Maybridge3_002950 CCOC(=O)N1CCC(CC1)NC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G03 compound treatment 0.253 0.00467 0.23 0.255 0.0161 0.88 0.786 0.863 1336744 Maybridge3_002951 Cc1cc(on1)c2ccccc2C(=O)Nc3ccccc3O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G04 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076621 Maybridge3_002952 Nc1nnc(o1)c2ccc3nsnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G05 compound treatment 0.25 0.00167 0.08 0.251 0.0121 0.66 0.5261 0.789 1561126 Maybridge3_002953 Cc1nc(N2CCOCC2)c3sc(=S)n(c4ccccc4)c3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G06 compound treatment 0.246 -0.00233 -0.12 0.244 0.00507 0.28 0.1151 0.3824 2076622 Maybridge3_002954 FC(F)(F)c1ccc(nc1)N2CCCN(CC2)S(=O)(=O)c3ccc(C#N)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G07 compound treatment 0.252 0.00367 0.18 0.257 0.0181 0.99 0.8286 0.8227 2076623 Maybridge3_002955 COc1ccc(cc1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G08 compound treatment 0.263 0.0147 0.72 0.257 0.0181 0.99 1.2127 0.9881 2076624 Maybridge3_002956 Cc1ccc2cc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)ccc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G09 compound treatment 0.282 0.0337 1.66 0.284 0.0451 2.47 2.9229 0.9814 2076625 Maybridge3_002957 CCCc1ccc(cc1)C(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G10 compound treatment 0.255 0.00667 0.33 0.25 0.0111 0.61 0.6619 0.9587 2076626 Maybridge3_002958 COc1cccc(Cc2nnc(o2)c3snnc3C)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G11 compound treatment 0.255 0.00667 0.33 0.259 0.0201 1.1 1.0109 0.8801 2076627 Maybridge3_002959 COC(=O)CNC(=O)C1CCC(CC1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G12 compound treatment 0.277 0.0287 1.42 0.267 0.0281 1.54 2.0892 0.9991 2076628 Maybridge3_002960 O=c1oc2ccccc2cc1c3ccn[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G13 compound treatment 0.253 0.00467 0.23 0.25 0.0111 0.61 0.5921 0.9121 2076629 Maybridge3_002961 Cc1nn(nc1C(=O)N2CCCc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G14 compound treatment 0.25 0.00167 0.08 0.25 0.0111 0.61 0.4873 0.7957 2076630 Maybridge3_002962 O=C(Nc1ccc2OCCOc2c1)c3ccoc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G15 compound treatment 0.247 -0.00133 -0.07 0.248 0.00907 0.5 0.3051 0.6082 2076631 Maybridge3_002963 COc1ccc(NC(=O)c2scc(c2N)S(=O)(=O)C(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G16 compound treatment 0.285 0.0367 1.81 0.282 0.0431 2.36 2.9501 0.9914 2076632 Maybridge3_002964 Cc1nn(nc1C(=O)N2CCC(O)(CC2)c3ccc(Cl)cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G17 compound treatment 0.317 0.0687 3.39 0.316 0.0771 4.23 5.3857 0.994 1537696 Maybridge3_002965 CC1CCc2c(C1)sc3nc(SCC(=O)N)nc(NCc4ccccc4)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G18 compound treatment 0.254 0.00567 0.28 0.257 0.0181 0.99 0.8984 0.8727 1496557 Maybridge3_002966 O=C(NCc1ccco1)c2cc3ccccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G19 compound treatment 0.242 -0.00633 -0.31 0.241 0.00207 0.11 -0.1409 -0.4236 2076633 Maybridge3_002967 Cc1nc(sc1C(=O)NC(=O)c2ccccc2O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G20 compound treatment 0.26 0.0117 0.58 0.261 0.0221 1.21 1.263 0.9424 2076634 Maybridge3_002968 CC1CCc2c(C#N)c(NC(=O)CSc3nnc[nH]3)sc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G21 compound treatment 0.247 -0.00133 -0.07 0.25 0.0111 0.61 0.3826 0.6267 2076635 Maybridge3_002969 CC(=O)Nc1ccc(cc1)c2nc3ccccc3c(=O)[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G22 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076636 Maybridge3_002970 Cc1cc(NC(=O)CSc2nccn2C)n(n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G23 mock treatment 0.247 -0.00133 -0.07 0.247 0.00807 0.44 0.2663 0.5953 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 G24 mock treatment 0.247 -0.00133 -0.07 0.237 -0.00193 -0.11 -0.1214 -0.9739 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H01 compound treatment 0.248 -3.33E-4 -0.02 0.237 -0.00193 -0.11 -0.0865 -0.8073 2076637 Maybridge3_002971 CCN(CC)c1ncnc2n(Cc3ccccc3)nnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H02 compound treatment 0.251 0.00267 0.13 0.252 0.0131 0.72 0.5998 0.8233 2076638 Maybridge3_002972 CN1CCN(CC1)C(=O)Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H03 compound treatment 0.25 0.00167 0.08 0.249 0.0101 0.55 0.4486 0.8036 2076639 Maybridge3_002973 CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H04 compound treatment 0.25 0.00167 0.08 0.251 0.0121 0.66 0.5261 0.789 2076640 Maybridge3_002974 CCCC(=O)OC1C(Oc2ccccc2C1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H05 compound treatment 0.253 0.00467 0.23 0.249 0.0101 0.55 0.5533 0.9249 2076641 Maybridge3_002975 CCOC(=O)c1cnn2c(=O)c3CCCCc3[nH]c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H06 compound treatment 0.249 6.67E-4 0.03 0.253 0.0141 0.77 0.5687 0.7366 1664247 Maybridge3_002976 CC(=O)Nc1ccc(NC(=O)C2CC2(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H07 compound treatment 0.256 0.00767 0.38 0.252 0.0131 0.72 0.7744 0.9555 1879051 Maybridge3_002977 CCOC(=O)c1cnn2c(=O)c3CCCc3[nH]c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H08 compound treatment 0.254 0.00567 0.28 0.257 0.0181 0.99 0.8984 0.8727 1047844 Maybridge3_002978 OC1(Cc2ccccc2)CCNCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H09 compound treatment 0.258 0.00967 0.48 0.251 0.0121 0.66 0.8055 0.9872 1393091 Maybridge3_002979 O=c1[nH]c-2c(CCc3ccccc32)c(c1C#N)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H10 compound treatment 0.247 -0.00133 -0.07 0.251 0.0121 0.66 0.4214 0.6336 2076642 Maybridge3_002980 OC(=O)CCSc1cccc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H11 compound treatment 0.255 0.00667 0.33 0.257 0.0181 0.99 0.9333 0.894 2076643 Maybridge3_002981 C1Sc2nnc(c3ccccc3)n2N=C1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H12 compound treatment 0.252 0.00367 0.18 0.259 0.0201 1.1 0.9061 0.8125 1053054 Maybridge3_002982 O=c1cc(oc2ccccc12)c3ccc4OCOc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H13 compound treatment 0.265 0.0167 0.82 0.253 0.0141 0.77 1.1274 0.9995 2076644 Maybridge3_002983 Cc1ccc(cc1)N2CC(=O)Nc3c(sc4nc(C)cc(C)c34)C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H14 compound treatment 0.248 -3.33E-4 -0.02 0.255 0.0161 0.88 0.6114 0.6938 2076645 Maybridge3_002984 CC(CCC(=O)O)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H15 compound treatment 0.255 0.00667 0.33 0.251 0.0121 0.66 0.7007 0.948 2076646 Maybridge3_002985 CC(=O)n1sc2nc(C)cc(C)c2c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H16 compound treatment 0.271 0.0227 1.12 0.274 0.0351 1.92 2.1511 0.9668 2076647 Maybridge3_002986 CC1(C)C2CCC1(C)C(C2)NS(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H17 compound treatment 0.263 0.0147 0.72 0.26 0.0211 1.16 1.329 0.9747 2076648 Maybridge3_002987 Nc1c(C#N)sc2nnc(c3ccncc3)n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H18 compound treatment 0.253 0.00467 0.23 0.258 0.0191 1.05 0.9023 0.8427 2076649 Maybridge3_002988 FC(F)(F)c1ccc(cc1)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H19 compound treatment 0.258 0.00967 0.48 0.255 0.0161 0.88 0.9605 0.9586 2076650 Maybridge3_002989 Cc1cc(C)c2c3NC(=O)CN(C(=O)c3oc2n1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H20 compound treatment 0.245 -0.00333 -0.16 0.246 0.00707 0.39 0.1577 0.3744 1524786 Maybridge3_002990 O=C(Nc1cccc2[nH]ccc12)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H21 compound treatment 0.258 0.00967 0.48 0.256 0.0171 0.94 0.9993 0.9512 2076651 Maybridge3_002991 CCOc1ccc(NC(=O)/C=N/O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H22 compound treatment 0.247 -0.00133 -0.07 0.252 0.0131 0.72 0.4601 0.6394 1915825 Maybridge3_002992 O=C(Nc1ccc2ccccc2c1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H23 mock treatment 0.249 6.67E-4 0.03 0.249 0.0101 0.55 0.4137 0.7479 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 H24 mock treatment 0.258 0.00967 0.48 0.226 -0.0129 -0.71 -0.1638 -0.1916 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I01 compound treatment 0.249 6.67E-4 0.03 0.243 0.00407 0.22 0.181 0.8028 2076652 Maybridge3_002993 Cc1cc(no1)C(=O)Nc2cc(nn2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I02 compound treatment 0.25 0.00167 0.08 0.251 0.0121 0.66 0.5261 0.789 2076653 Maybridge3_002994 Cc1c(cnn1c2ccccc2)S(=O)(=O)N3CCCc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I03 compound treatment 0.257 0.00867 0.43 0.257 0.0181 0.99 1.0032 0.9295 2076654 Maybridge3_002995 O=C(OCC1CC(=NO1)c2ccccc2)c3ccc4ccccc4n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I04 compound treatment 0.253 0.00467 0.23 0.254 0.0151 0.83 0.7472 0.8711 1527073 Maybridge3_002996 O=C(NCC1COc2ccccc2O1)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I05 compound treatment 0.273 0.0247 1.22 0.266 0.0271 1.48 1.9108 0.9952 2076655 Maybridge3_002997 C=CCn1c(Sc2ncnc3n(CC=C)c(=S)sc23)nnc1c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I06 compound treatment 0.252 0.00367 0.18 0.256 0.0171 0.94 0.7898 0.8285 2076656 Maybridge3_002998 Cc1ccc(CNS(=O)(=O)c2cccs2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I07 compound treatment 0.25 0.00167 0.08 0.254 0.0151 0.83 0.6424 0.7737 2076657 Maybridge3_002999 O=C1N(CC2CC2)S(=O)(=O)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I08 compound treatment 0.263 0.0147 0.72 0.259 0.0201 1.1 1.2902 0.9794 2076658 Maybridge3_003000 OC(=O)CCCC(=O)N1CCCN(CC1)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I09 compound treatment 0.304 0.0557 2.75 0.293 0.0541 2.96 4.04 0.9993 2076659 Maybridge3_003001 CCc1ccc(cc1)C(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I10 compound treatment 0.257 0.00867 0.43 0.255 0.0161 0.88 0.9256 0.945 2076660 Maybridge3_003002 COc1cccc(Cc2nnc(o2)c3ccc4nsnc4c3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I11 compound treatment 0.253 0.00467 0.23 0.256 0.0171 0.94 0.8247 0.8557 2076661 Maybridge3_003003 Clc1ccc(cc1)C2CCC(CC2)C(=O)NCc3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I12 compound treatment 0.254 0.00567 0.28 0.26 0.0211 1.16 1.0147 0.8537 1085295 Maybridge3_003004 Nc1ncnc2n(CCc3ccccc3)cnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I13 compound treatment 0.253 0.00467 0.23 0.259 0.0201 1.1 0.941 0.837 2076662 Maybridge3_003005 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I14 compound treatment 0.259 0.0107 0.53 0.264 0.0251 1.37 1.3444 0.9133 2076663 Maybridge3_003006 O=C(Nc1ccc2OCCOc2c1)c3ccc4nsnc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I15 compound treatment 0.278 0.0297 1.46 0.276 0.0371 2.03 2.4731 0.9871 1657296 Maybridge3_003007 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I16 compound treatment 0.257 0.00867 0.43 0.261 0.0221 1.21 1.1582 0.9024 2076664 Maybridge3_003008 COC(=O)c1ccc(Oc2ccc(cc2)C3SCCS3)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I17 compound treatment 0.267 0.0187 0.92 0.261 0.0221 1.21 1.5074 0.991 1416967 Maybridge3_003009 O=C(COc1ccccc1)N2c3ccccc3Sc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I18 compound treatment 0.254 0.00567 0.28 0.255 0.0161 0.88 0.8209 0.888 2076665 Maybridge3_003010 CC(NCCn1cnc2c(N)ncnc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I19 compound treatment 0.239 -0.00933 -0.46 0.235 -0.00393 -0.22 -0.4783 -0.9401 2076666 Maybridge3_003011 Oc1ccccc1C(=O)NC(=O)c2ccoc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I20 compound treatment 0.254 0.00567 0.28 0.254 0.0151 0.83 0.7821 0.8966 2076667 Maybridge3_003012 FC(F)(F)c1cccc(Nc2cc(nc3ncnn23)c4ccccc4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I21 compound treatment 0.288 0.0397 1.96 0.29 0.0511 2.8 3.365 0.9847 2076668 Maybridge3_003013 Oc1ccccc1c2nc(n[nH]2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I22 compound treatment 0.253 0.00467 0.23 0.255 0.0161 0.88 0.786 0.863 2076669 Maybridge3_003014 CCC1C2=C(CC(C)(C)CC2=O)Nc3c1c(C)nn3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I23 mock treatment 0.255 0.00667 0.33 0.252 0.0131 0.72 0.7395 0.9377 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 I24 mock treatment 0.259 0.0107 0.53 0.242 0.00307 0.17 0.4914 0.8888 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J01 compound treatment 0.244 -0.00433 -0.21 0.237 -0.00193 -0.11 -0.2262 -0.9474 2076670 Maybridge3_003015 Clc1ccccc1Cn2nnc3c(ncnc23)N4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J02 compound treatment 0.264 0.0157 0.77 0.261 0.0221 1.21 1.4027 0.9766 2076671 Maybridge3_003016 COCOc1ccc(cc1)C(=O)CC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J03 compound treatment 0.249 6.67E-4 0.03 0.246 0.00707 0.39 0.2973 0.7644 2076672 Maybridge3_003017 CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J04 compound treatment 0.27 0.0217 1.07 0.264 0.0251 1.37 1.7285 0.9923 2076673 Maybridge3_003018 O=C1/C(=C\c2ccccc2)/Sc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J05 compound treatment 0.252 0.00367 0.18 0.253 0.0141 0.77 0.6735 0.85 1151675 Maybridge3_003019 CCOC(=O)c1cnn2c(=O)cc(C)[nH]c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J06 compound treatment 0.255 0.00667 0.33 0.256 0.0171 0.94 0.8946 0.9017 1540118 Maybridge3_003020 O=C(OCC1c2ccccc2-c3ccccc13)ON4C(=O)CCC4=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J07 compound treatment 0.253 0.00467 0.23 0.251 0.0121 0.66 0.6309 0.9003 2076674 Maybridge3_003021 CC(=O)Oc1c(c2ccccc2)c(=O)n3CCc4cccc1c43 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J08 compound treatment 0.253 0.00467 0.23 0.253 0.0141 0.77 0.7084 0.8799 2076675 Maybridge3_003022 CS/C(=N\N)/NC1(CC2CC3CC(C2)C1)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J09 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076676 Maybridge3_003023 CCn1c(SCC(=O)N2CCCc3ccccc23)nnc1c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J10 compound treatment 0.247 -0.00133 -0.07 0.248 0.00907 0.5 0.3051 0.6082 1230905 Maybridge3_003024 CNC(=O)c1ccccc1SCCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J11 compound treatment 0.26 0.0117 0.58 0.256 0.0171 0.94 1.0691 0.9728 2076677 Maybridge3_003025 O=C(CSc1nc2ccccc2s1)Nc3c(C#N)cnn3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J12 compound treatment 0.265 0.0167 0.82 0.269 0.0301 1.65 1.7478 0.9485 1704321 Maybridge3_003026 CCOC(=O)COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J13 compound treatment 0.245 -0.00333 -0.16 0.252 0.0131 0.72 0.3903 0.5308 2076678 Maybridge3_003027 C1Sc2ccccc2-n3c(nnc13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J14 compound treatment 0.249 6.67E-4 0.03 0.252 0.0131 0.72 0.53 0.7388 1007376 Maybridge3_003028 OC(=O)c1ccc(F)c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J15 compound treatment 0.276 0.0277 1.37 0.272 0.0331 1.81 2.2482 0.9903 2076679 Maybridge3_003029 COc1cc(/C=C\2/N=C(NC2=O)c3ccccc3)cc(OC)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J16 compound treatment 0.248 -3.33E-4 -0.02 0.253 0.0141 0.77 0.5338 0.6919 2076680 Maybridge3_003030 Cc1ccc(cc1)S(=O)(=O)NC2CC3CCC2(C)C3(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J17 compound treatment 0.256 0.00767 0.38 0.254 0.0151 0.83 0.8519 0.9374 2076681 Maybridge3_003031 O=C1CSc2nnc(c3ccncc3)n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J18 compound treatment 0.247 -0.00133 -0.07 0.249 0.0101 0.55 0.3438 0.6184 2076682 Maybridge3_003032 CCOC(=O)c1sc(N)nc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J19 compound treatment 0.254 0.00567 0.28 0.251 0.0121 0.66 0.6658 0.9267 2076683 Maybridge3_003033 O=C(Nc1scc2c1c(=O)oc3ccccc23)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J20 compound treatment 0.25 0.00167 0.08 0.249 0.0101 0.55 0.4486 0.8036 2076684 Maybridge3_003034 FC(F)(F)c1cccc(c1)C(=O)Nc2cccc3[nH]ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J21 compound treatment 0.253 0.00467 0.23 0.254 0.0151 0.83 0.7472 0.8711 2076685 Maybridge3_003035 O/C(=C\C(=O)c1ccc(Br)cc1)/C(=O)Nc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J22 compound treatment 0.246 -0.00233 -0.12 0.245 0.00607 0.33 0.1538 0.4368 1198285 Maybridge3_003036 Fc1cccc(c1)C(=O)N(Cc2ccccc2)C(=C)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J23 mock treatment 0.248 -3.33E-4 -0.02 0.247 0.00807 0.44 0.3012 0.6803 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 J24 mock treatment 0.252 0.00367 0.18 0.225 -0.0139 -0.76 -0.4121 -0.5249 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K01 compound treatment 0.241 -0.00733 -0.36 0.232 -0.00693 -0.38 -0.5248 -0.9997 2076686 Maybridge3_003037 CCOC(=O)c1cnn(C(=O)c2ccc(cc2)C(F)(F)F)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K02 compound treatment 0.25 0.00167 0.08 0.249 0.0101 0.55 0.4486 0.8036 2076687 Maybridge3_003038 O=S(=O)(N1CCCc2ccccc12)c3ccc(cc3)n4cccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K03 compound treatment 0.251 0.00267 0.13 0.249 0.0101 0.55 0.4835 0.8519 1306563 Maybridge3_003039 CSc1nnc2NCCCn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K04 compound treatment 0.254 0.00567 0.28 0.257 0.0181 0.99 0.8984 0.8727 2076688 Maybridge3_003040 Clc1cc(C(=O)NCC2COc3ccccc3O2)c(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K05 compound treatment 0.256 0.00767 0.38 0.264 0.0251 1.37 1.2396 0.8695 1717070 Maybridge3_003041 Cc1nn(c2ccccc2)c3nc(N)c(cc13)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K06 compound treatment 0.252 0.00367 0.18 0.255 0.0161 0.88 0.751 0.835 2076689 Maybridge3_003042 Cc1ccc(CNS(=O)(=O)c2ccccc2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K07 compound treatment 0.269 0.0207 1.02 0.268 0.0291 1.59 1.8487 0.9768 2076690 Maybridge3_003043 O=C1N(Cc2ccc(cc2)c3csnn3)S(=O)(=O)c4ccccc14 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K08 compound treatment 0.264 0.0157 0.77 0.255 0.0161 0.88 1.17 0.9979 2076691 Maybridge3_003044 FC(F)(F)c1ccc(nc1)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K09 compound treatment 0.26 0.0117 0.58 0.26 0.0211 1.16 1.2242 0.9484 1178648 Maybridge3_003045 Cc1ccc(cc1)S(=O)(=O)Nc2cccc3nnc(C)cc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K10 compound treatment 0.256 0.00767 0.38 0.257 0.0181 0.99 0.9682 0.9129 2076692 Maybridge3_003046 OC(=O)CCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K11 compound treatment 0.253 0.00467 0.23 0.253 0.0141 0.77 0.7084 0.8799 2076693 Maybridge3_003047 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc3OCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K12 compound treatment 0.27 0.0217 1.07 0.271 0.0321 1.76 1.9999 0.9716 2076694 Maybridge3_003048 CCOC(=O)c1cnn(C(=O)Cc2ccsc2)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K13 compound treatment 0.241 -0.00733 -0.36 0.252 0.0131 0.72 0.2506 0.3122 1502073 Maybridge3_003049 O=S(=O)(N1CCCc2ccccc12)c3cccc4nsnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K14 compound treatment 0.252 0.00367 0.18 0.252 0.0131 0.72 0.6347 0.8588 2076695 Maybridge3_003050 Cc1cc(nn1C(C)(C)C)C(=O)Nc2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K15 compound treatment 0.253 0.00467 0.23 0.253 0.0141 0.77 0.7084 0.8799 1520276 Maybridge3_003051 N#CCOc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K16 compound treatment 0.253 0.00467 0.23 0.258 0.0191 1.05 0.9023 0.8427 2076696 Maybridge3_003052 O/N=C\1/CCCCC1Cn2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K17 compound treatment 0.254 0.00567 0.28 0.259 0.0201 1.1 0.976 0.8596 1141744 Maybridge3_003053 O=C(CSc1nnc[nH]1)N2c3ccccc3Sc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K18 compound treatment 0.253 0.00467 0.23 0.257 0.0181 0.99 0.8635 0.8489 1026368 Maybridge3_003054 c1ccc2sc(nc2c1)c3cccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K19 compound treatment 0.269 0.0207 1.02 0.268 0.0291 1.59 1.8487 0.9768 2076697 Maybridge3_003055 Oc1ccccc1C(=O)NC(=O)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K20 compound treatment 0.253 0.00467 0.23 0.259 0.0201 1.1 0.941 0.837 2076698 Maybridge3_003056 Cc1ccc(Nc2cc(nc3ncnn23)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K21 compound treatment 0.249 6.67E-4 0.03 0.249 0.0101 0.55 0.4137 0.7479 2076699 Maybridge3_003057 COc1ccc(cc1OC)c2nc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K22 compound treatment 0.254 0.00567 0.28 0.254 0.0151 0.83 0.7821 0.8966 2076700 Maybridge3_003058 Cc1cc(C)c2c(n1)sc3c(SCC=C)ncnc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K23 mock treatment 0.249 6.67E-4 0.03 0.248 0.00907 0.5 0.3749 0.7523 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 K24 mock treatment 0.25 0.00167 0.08 0.245 0.00607 0.33 0.2935 0.8562 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L01 compound treatment 0.248 -3.33E-4 -0.02 0.247 0.00807 0.44 0.3012 0.6803 2076701 Maybridge3_003059 Clc1ccc(cc1)n2cc(C#N)c(n2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L02 compound treatment 0.268 0.0197 0.97 0.259 0.0201 1.1 1.4648 0.9981 1467534 Maybridge3_003060 Cc1ccc(cc1)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L03 compound treatment 0.255 0.00667 0.33 0.255 0.0161 0.88 0.8558 0.9099 2076702 Maybridge3_003061 CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L04 compound treatment 0.258 0.00967 0.48 0.257 0.0181 0.99 1.0381 0.944 2076703 Maybridge3_003062 Cc1ccccc1/C=C\2/Sc3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L05 compound treatment 0.256 0.00767 0.38 0.26 0.0211 1.16 1.0846 0.8922 2076704 Maybridge3_003063 CCOC(=O)c1cnn2c(=O)cc([nH]c12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L06 compound treatment 0.253 0.00467 0.23 0.251 0.0121 0.66 0.6309 0.9003 1723317 Maybridge3_003064 COC(=O)C(Cc1ccccc1)NC(=O)c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L07 compound treatment 0.251 0.00267 0.13 0.253 0.0141 0.77 0.6386 0.816 2076705 Maybridge3_003065 Clc1ccc(Oc2ncnc3n(Cc4ccccc4)nnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L08 compound treatment 0.253 0.00467 0.23 0.253 0.0141 0.77 0.7084 0.8799 2076706 Maybridge3_003066 Clc1ccc(cc1)C(=O)/C=C/2\SCC(=O)N2c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L09 compound treatment 0.265 0.0167 0.82 0.262 0.0231 1.26 1.4764 0.9783 2076707 Maybridge3_003067 Nc1nc(SCc2ccc(Cl)cc2)ncc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L10 compound treatment 0.252 0.00367 0.18 0.254 0.0151 0.83 0.7123 0.8421 1128028 Maybridge3_003068 OC(=O)CCSc1cccc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L11 compound treatment 0.251 0.00267 0.13 0.254 0.0151 0.83 0.6773 0.8096 2076708 Maybridge3_003069 Clc1ccccc1CSc2nnc3NCCCn23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L12 compound treatment 0.252 0.00367 0.18 0.254 0.0151 0.83 0.7123 0.8421 1041430 Maybridge3_003070 CC(=O)Nc1c(oc2ccccc2c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L13 compound treatment 0.26 0.0117 0.58 0.265 0.0261 1.43 1.4181 0.9202 2076709 Maybridge3_003071 Cc1nc2sc(cc2c(=O)o1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L14 compound treatment 0.25 0.00167 0.08 0.252 0.0131 0.72 0.5649 0.7832 2076710 Maybridge3_003072 OC(=O)CCCCc1cccs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L15 compound treatment 0.285 0.0367 1.81 0.275 0.0361 1.98 2.6787 0.999 2076711 Maybridge3_003073 O=c1[nH]cnc2sc(cc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L16 compound treatment 0.247 -0.00133 -0.07 0.257 0.0181 0.99 0.654 0.6587 1524655 Maybridge3_003074 CC(C)C1CCC(C)CC1NC(=O)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L17 compound treatment 0.267 0.0187 0.92 0.265 0.0261 1.43 1.6625 0.9775 2076712 Maybridge3_003075 Nc1ncnc2nc(ncc12)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L18 compound treatment 0.272 0.0237 1.17 0.267 0.0281 1.54 1.9146 0.9908 1233522 Maybridge3_003076 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2C(C)(C)C3CCC2(C)C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L19 compound treatment 0.265 0.0167 0.82 0.264 0.0251 1.37 1.5539 0.9699 2076713 Maybridge3_003077 NS(=O)(=O)c1ccc(NC(=O)CN2CCCc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L20 compound treatment 0.251 0.00267 0.13 0.252 0.0131 0.72 0.5998 0.8233 1696824 Maybridge3_003078 COc1ccccc1N2CCN(CC2)C(=O)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L21 compound treatment 0.249 6.67E-4 0.03 0.252 0.0131 0.72 0.53 0.7388 1733585 Maybridge3_003079 COc1ccc(cc1OC)C(=O)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L22 compound treatment 0.25 0.00167 0.08 0.25 0.0111 0.61 0.4873 0.7957 2076714 Maybridge3_003080 CCOC(=O)CSc1nnnn1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L23 mock treatment 0.253 0.00467 0.23 0.255 0.0161 0.88 0.786 0.863 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 L24 mock treatment 0.249 6.67E-4 0.03 0.229 -0.00993 -0.54 -0.3618 -0.6631 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M01 compound treatment 0.238 -0.0103 -0.51 0.232 -0.00693 -0.38 -0.6295 -0.9895 2076715 Maybridge3_003081 OC(=O)COCC(=O)N1CCN(CC1)C2c3ccccc3-c4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M02 compound treatment 0.253 0.00467 0.23 0.251 0.0121 0.66 0.6309 0.9003 1671891 Maybridge3_003082 OC(=O)c1ccccc1C(=O)N2CCCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M03 compound treatment 0.244 -0.00433 -0.21 0.243 0.00407 0.22 0.0064 0.0208 2076716 Maybridge3_003083 CCOc1ncnc2sc3CCCCc3c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M04 compound treatment 0.252 0.00367 0.18 0.249 0.0101 0.55 0.5184 0.8923 2076717 Maybridge3_003084 Cc1nnsc1C(=O)NCC2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M05 compound treatment 0.252 0.00367 0.18 0.261 0.0221 1.21 0.9837 0.804 1603526 Maybridge3_003085 Cn1ccnc1SCC(=O)N2c3ccccc3Sc4ccccc24 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M06 compound treatment 0.253 0.00467 0.23 0.26 0.0211 1.16 0.9798 0.8318 2076718 Maybridge3_003086 Fc1ccc(CN2CC(CC2=O)C(=O)NCc3ccc4OCOc4c3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M07 compound treatment 0.253 0.00467 0.23 0.254 0.0151 0.83 0.7472 0.8711 2076719 Maybridge3_003087 Oc1ccccc1C(=O)NC(=O)C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M08 compound treatment 0.256 0.00767 0.38 0.256 0.0171 0.94 0.9295 0.9207 2076720 Maybridge3_003088 CC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M09 compound treatment 0.253 0.00467 0.23 0.25 0.0111 0.61 0.5921 0.9121 2076721 Maybridge3_003089 Fc1ccc(cc1)C(=O)CN2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M10 compound treatment 0.257 0.00867 0.43 0.255 0.0161 0.88 0.9256 0.945 2076722 Maybridge3_003090 OC(=O)CSCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M11 compound treatment 0.253 0.00467 0.23 0.254 0.0151 0.83 0.7472 0.8711 1444526 Maybridge3_003091 CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(O)c(O)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M12 compound treatment 0.257 0.00867 0.43 0.253 0.0141 0.77 0.8481 0.9614 2076723 Maybridge3_003092 Cc1nc(n[nH]1)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M13 compound treatment 0.247 -0.00133 -0.07 0.258 0.0191 1.05 0.6928 0.6613 2076724 Maybridge3_003093 Cc1onc(c1C(=O)NC(CN2CCOCC2)c3ccccc3)c4c(F)cccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M14 compound treatment 0.252 0.00367 0.18 0.25 0.0111 0.61 0.5572 0.8797 2076725 Maybridge3_003094 O=C(Nc1ccc2OCCOc2c1)c3ncoc3c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M15 compound treatment 0.25 0.00167 0.08 0.247 0.00807 0.44 0.371 0.8245 1385209 Maybridge3_003095 CCOC(=O)COc1nc(cc(c2ccco2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M16 compound treatment 0.251 0.00267 0.13 0.259 0.0201 1.1 0.8712 0.7861 1628910 Maybridge3_003096 OC(=O)Cn1c2ccccc2c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M17 compound treatment 0.257 0.00867 0.43 0.255 0.0161 0.88 0.9256 0.945 2076726 Maybridge3_003097 Brc1ccc(cc1)C(=O)CSc2nnc(o2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M18 compound treatment 0.251 0.00267 0.13 0.254 0.0151 0.83 0.6773 0.8096 2076727 Maybridge3_003098 Nc1cc(Cl)ccc1Nc2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M19 compound treatment 0.261 0.0127 0.63 0.256 0.0171 0.94 1.1041 0.9808 2076728 Maybridge3_003099 Cc1nnsc1C(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M20 compound treatment 0.252 0.00367 0.18 0.252 0.0131 0.72 0.6347 0.8588 2076729 Maybridge3_003100 Clc1ccc(Nc2cc(nc3ncnn23)c4ccccc4)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M21 compound treatment 0.244 -0.00433 -0.21 0.245 0.00607 0.33 0.084 0.2123 2076730 Maybridge3_003101 FC(F)(F)c1ccccc1NS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M22 compound treatment 0.25 0.00167 0.08 0.252 0.0131 0.72 0.5649 0.7832 2076731 Maybridge3_003102 Cc1cc(C)c2c(n1)sc3c(Sc4nccn4C)ncnc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M23 mock treatment 0.251 0.00267 0.13 0.248 0.00907 0.5 0.4447 0.8646 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 M24 mock treatment 0.245 -0.00333 -0.16 0.233 -0.00593 -0.33 -0.3463 -0.9502 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N01 compound treatment 0.219 -0.0293 -1.45 0.216 -0.0229 -1.26 -1.9133 -0.9975 2076732 Maybridge3_003103 Cc1ccc(cc1)n2cc(C#N)c(n2)C(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N02 compound treatment 0.253 0.00467 0.23 0.248 0.00907 0.5 0.5146 0.9389 1329051 Maybridge3_003104 COc1ccc(cc1)c2cc(=O)c3cc(F)ccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N03 compound treatment 0.25 0.00167 0.08 0.25 0.0111 0.61 0.4873 0.7957 2076733 Maybridge3_003105 CC(=O)Nc1c(sc2nc(C)cc(C)c12)C(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N04 compound treatment 0.252 0.00367 0.18 0.25 0.0111 0.61 0.5572 0.8797 2076734 Maybridge3_003106 Cc1cccc(/C=C\2/Sc3ccccc3C2=O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N05 compound treatment 0.254 0.00567 0.28 0.255 0.0161 0.88 0.8209 0.888 1820764 Maybridge3_003107 O=C(CSc1ccccc1)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N06 compound treatment 0.247 -0.00133 -0.07 0.259 0.0201 1.1 0.7315 0.6636 2076735 Maybridge3_003108 CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N07 compound treatment 0.255 0.00667 0.33 0.255 0.0161 0.88 0.8558 0.9099 2076736 Maybridge3_003109 Nc1nc(Nc2cccc(c2)C(F)(F)F)ncc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N08 compound treatment 0.251 0.00267 0.13 0.253 0.0141 0.77 0.6386 0.816 1424787 Maybridge3_003110 CCOC(=O)CN1C(=O)C2(OCCO2)c3cc(Br)ccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N09 compound treatment 0.249 6.67E-4 0.03 0.256 0.0171 0.94 0.6851 0.7315 2076737 Maybridge3_003111 Nc1nc(Sc2nc3ccccc3s2)ncc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N10 compound treatment 0.269 0.0207 1.02 0.27 0.0311 1.7 1.9262 0.97 1560631 Maybridge3_003112 CNS(=O)(=O)c1ccccc1Sc2cccc3cccc(C(=O)O)c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N11 compound treatment 0.252 0.00367 0.18 0.249 0.0101 0.55 0.5184 0.8923 2076738 Maybridge3_003113 O=C(N1CCCn2c(SCc3ccccc3)nnc12)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N12 compound treatment 0.267 0.0187 0.92 0.271 0.0321 1.76 1.8951 0.9546 1377352 Maybridge3_003114 Nc1c(oc2ccccc2c1=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N13 compound treatment 0.251 0.00267 0.13 0.26 0.0211 1.16 0.91 0.7826 2076739 Maybridge3_003115 Nc1c(C#N)cnn1c2ncnc3sc4CCCCc4c23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N14 compound treatment 0.251 0.00267 0.13 0.25 0.0111 0.61 0.5223 0.841 1523192 Maybridge3_003116 CN(C)c1ccc(cc1)C2Nc3[nH]nc(C)c3C4=C2C(=O)CC(C)(C)C4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N15 compound treatment 0.258 0.00967 0.48 0.266 0.0271 1.48 1.387 0.8896 2076740 Maybridge3_003117 CCOC(=O)c1cc(sc1NC(=O)CSc2nccn2C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N16 compound treatment 0.238 -0.0103 -0.51 0.249 0.0101 0.55 0.0296 0.0393 2076741 Maybridge3_003118 CCOC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N17 compound treatment 0.257 0.00867 0.43 0.256 0.0171 0.94 0.9644 0.9371 1411244 Maybridge3_003119 C1CCN(C1)c2ncnc3n(ncc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N18 compound treatment 0.247 -0.00133 -0.07 0.246 0.00707 0.39 0.2275 0.5787 1382805 Maybridge3_003120 CC1(C)C(NS(=O)(=O)c2ccc(F)cc2)C3(C)CCC1C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N19 compound treatment 0.255 0.00667 0.33 0.245 0.00607 0.33 0.4681 1.0 2076742 Maybridge3_003121 NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N20 compound treatment 0.254 0.00567 0.28 0.254 0.0151 0.83 0.7821 0.8966 1501899 Maybridge3_003122 COc1ccccc1N2CCN(CC2)C(=O)c3ccc(Cl)cc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N21 compound treatment 0.248 -3.33E-4 -0.02 0.258 0.0191 1.05 0.7277 0.6959 1170387 Maybridge3_003123 CCOC(=O)C1=C(C)NCC1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N22 compound treatment 0.247 -0.00133 -0.07 0.245 0.00607 0.33 0.1887 0.5564 1551452 Maybridge3_003124 OC(C1CCCN1)(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N23 mock treatment 0.25 0.00167 0.08 0.248 0.00907 0.5 0.4098 0.8131 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 N24 mock treatment 0.247 -0.00133 -0.07 0.214 -0.0249 -1.37 -1.0131 -0.7403 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O01 compound treatment 0.205 -0.0433 -2.14 0.213 -0.0259 -1.42 -2.5185 -0.9803 2076743 Maybridge3_003125 FC(F)(F)c1ccc(cc1)c2nnc(o2)c3ccc4nsnc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O02 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076744 Maybridge3_003126 FC(F)(F)c1ccccc1NC(=O)c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O03 compound treatment 0.248 -3.33E-4 -0.02 0.247 0.00807 0.44 0.3012 0.6803 1273536 Maybridge3_003127 COc1cccc(c1)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O04 compound treatment 0.252 0.00367 0.18 0.251 0.0121 0.66 0.596 0.8687 1467853 Maybridge3_003128 O=S(=O)(NCC1COc2ccccc2O1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O05 compound treatment 0.27 0.0217 1.07 0.26 0.0211 1.16 1.5734 0.9993 2076745 Maybridge3_003129 Cc1nc(Sc2nnc[nH]2)c3sc(=S)n(c4ccccc4)c3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O06 compound treatment 0.255 0.00667 0.33 0.255 0.0161 0.88 0.8558 0.9099 2076746 Maybridge3_003130 Clc1ccc(CCN2CC(CC2=O)C(=O)NCc3ccc4OCOc4c3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O07 compound treatment 0.244 -0.00433 -0.21 0.248 0.00907 0.5 0.2003 0.37 2076747 Maybridge3_003131 Cc1ccc(cc1)C(=O)NC(=O)c2ccccc2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O08 compound treatment 0.256 0.00767 0.38 0.249 0.0101 0.55 0.6581 0.9831 2076748 Maybridge3_003132 O=S(=O)(N1CCOCC1)c2ccc(CN3CCOCC3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O09 compound treatment 0.252 0.00367 0.18 0.253 0.0141 0.77 0.6735 0.85 1236448 Maybridge3_003133 N#Cc1ccc(cc1)c2cn3CCSc3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O10 compound treatment 0.251 0.00267 0.13 0.249 0.0101 0.55 0.4835 0.8519 2076749 Maybridge3_003134 CCCSc1ncccc1C(=O)Nc2c(C)noc2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O11 compound treatment 0.252 0.00367 0.18 0.249 0.0101 0.55 0.5184 0.8923 2076750 Maybridge3_003135 Clc1ccc(CSc2nc(NC(=O)c3cccs3)n[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O12 compound treatment 0.262 0.0137 0.67 0.254 0.0151 0.83 1.0614 0.995 2076751 Maybridge3_003136 Clc1cccc(c1)c2n[nH]c(n2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O13 compound treatment 0.249 6.67E-4 0.03 0.258 0.0191 1.05 0.7626 0.729 2076752 Maybridge3_003137 Cn1nc(cc1NC(=O)c2cc(Cl)sc2Cl)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O14 compound treatment 0.252 0.00367 0.18 0.25 0.0111 0.61 0.5572 0.8797 2076753 Maybridge3_003138 Cc1cc(no1)C(=O)Nc2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O15 compound treatment 0.254 0.00567 0.28 0.249 0.0101 0.55 0.5882 0.9504 1148356 Maybridge3_003139 O=c1[nH]c(cc(c2cccs2)c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O16 compound treatment 0.253 0.00467 0.23 0.258 0.0191 1.05 0.9023 0.8427 2076754 Maybridge3_003140 CC(C)CNC(=O)C1CC(=NO1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O17 compound treatment 0.256 0.00767 0.38 0.252 0.0131 0.72 0.7744 0.9555 2076755 Maybridge3_003141 Clc1ccccc1CSc2nnc(o2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O18 compound treatment 0.254 0.00567 0.28 0.255 0.0161 0.88 0.8209 0.888 2076756 Maybridge3_003142 Cc1cc(nc2oc3c(=O)[nH]cnc3c12)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O19 compound treatment 0.247 -0.00133 -0.07 0.247 0.00807 0.44 0.2663 0.5953 2076757 Maybridge3_003143 Oc1ccccc1C(=O)NC(=O)c2cc(oc2C(F)(F)F)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O20 compound treatment 0.234 -0.0143 -0.71 0.238 -9.31E-4 -0.05 -0.5366 -0.7561 2076758 Maybridge3_003144 C/C(=C\1/CCOC1=O)/Nc2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O21 compound treatment 0.248 -3.33E-4 -0.02 0.249 0.0101 0.55 0.3787 0.6857 2076759 Maybridge3_003145 CS(=O)(=O)N(Cc1ccccc1)Cc2ccccc2N3CCC(CC3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O22 compound treatment 0.254 0.00567 0.28 0.254 0.0151 0.83 0.7821 0.8966 2076760 Maybridge3_003146 CCOc1ncnc2c1sc3nc(C)cc(C)c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O23 mock treatment 0.253 0.00467 0.23 0.245 0.00607 0.33 0.3982 0.9839 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 O24 mock treatment 0.209 -0.0393 -1.94 0.197 -0.0419 -2.3 -2.9991 -0.9965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P01 compound treatment 0.195 -0.0533 -2.63 0.193 -0.0459 -2.52 -3.6431 -0.9997 2076761 Maybridge3_003147 CCOC(=O)c1nn(cc1C#N)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P02 compound treatment 0.222 -0.0263 -1.3 0.216 -0.0229 -1.26 -1.8086 -0.9999 1672168 Maybridge3_003148 Cc1c(oc2ccccc2c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P03 compound treatment 0.224 -0.0243 -1.2 0.207 -0.0319 -1.75 -2.0877 -0.9831 2076762 Maybridge3_003149 CCOc1ncnc2n(Cc3ccccc3Cl)nnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P04 compound treatment 0.231 -0.0173 -0.86 0.207 -0.0319 -1.75 -1.8432 -0.9458 2076763 Maybridge3_003150 O=C(c1ccccc1)C2(CC2c3ccccc3)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P05 compound treatment 0.218 -0.0303 -1.5 0.23 -0.00893 -0.49 -1.4054 -0.8918 2076764 Maybridge3_003151 CN1CCN(CC1)c2ncc(C#N)c(N)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P06 compound treatment 0.218 -0.0303 -1.5 0.217 -0.0219 -1.2 -1.9095 -0.9941 2076765 Maybridge3_003152 O=C1CCC2=C(CCCC2)N1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P07 compound treatment 0.223 -0.0253 -1.25 0.227 -0.0119 -0.65 -1.3472 -0.9543 2076766 Maybridge3_003153 Clc1ccc(cc1)c2nnc(Sc3ncnc4n(CC=C)c(=S)sc34)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P08 compound treatment 0.222 -0.0263 -1.3 0.222 -0.0169 -0.93 -1.5759 -0.9864 1458196 Maybridge3_003154 OC(c1c[nH]c2ccccc12)c3ccncc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P09 compound treatment 0.22 -0.0283 -1.4 0.223 -0.0159 -0.87 -1.607 -0.9743 2076767 Maybridge3_003155 Nc1nc(Nc2ccc(F)cc2)ncc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P10 compound treatment 0.228 -0.0203 -1.0 0.211 -0.0279 -1.53 -1.7929 -0.979 2076768 Maybridge3_003156 OCC(O)C(O)C(O)C1Nc2ccccc2S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P11 compound treatment 0.215 -0.0333 -1.65 0.227 -0.0119 -0.65 -1.6265 -0.9183 2076769 Maybridge3_003157 CCOC(=O)CSc1nnc2sc3ccccc3n12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P12 compound treatment 0.216 -0.0323 -1.6 0.223 -0.0159 -0.87 -1.7467 -0.9597 1022251 Maybridge3_003158 COC(=O)NCc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P13 compound treatment 0.218 -0.0303 -1.5 0.228 -0.0109 -0.6 -1.483 -0.9192 1061573 Maybridge3_003159 Cc1nc2n(ncc2c(=O)o1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P14 compound treatment 0.214 -0.0343 -1.7 0.215 -0.0239 -1.31 -2.1267 -0.992 1162219 Maybridge3_003160 O=S1(=O)CC(CS(=O)(=O)C1CCN2CCOCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P15 compound treatment 0.223 -0.0253 -1.25 0.214 -0.0249 -1.37 -1.8512 -0.999 2076770 Maybridge3_003161 CCOC(=O)CSc1nc(cn1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P16 compound treatment 0.219 -0.0293 -1.45 0.214 -0.0249 -1.37 -1.9908 -0.9996 2076771 Maybridge3_003162 COc1cccc(c1)I(OC(=O)C)OC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P17 compound treatment 0.218 -0.0303 -1.5 0.221 -0.0179 -0.98 -1.7544 -0.9791 2076772 Maybridge3_003163 Clc1ccc(cc1)c2nnc3sc(=Cc4cccs4)c(=O)n23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P18 compound treatment 0.207 -0.0413 -2.04 0.222 -0.0169 -0.93 -2.0997 -0.9364 2076773 Maybridge3_003164 CC1(C)C(NC(=O)c2ccco2)C3(C)CCC1C3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P19 compound treatment 0.219 -0.0293 -1.45 0.236 -0.00293 -0.16 -1.1379 -0.7808 2076774 Maybridge3_003165 Nc1nc(cc(c2ccco2)c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P20 compound treatment 0.23 -0.0183 -0.91 0.227 -0.0119 -0.65 -1.1027 -0.9873 2076775 Maybridge3_003166 C(=C/c1ccccc1)\C=N\c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P21 compound treatment 0.231 -0.0173 -0.86 0.203 -0.0359 -1.97 -1.9983 -0.9303 2076776 Maybridge3_003167 N#CCc1c2ccccc2c(CC#N)c3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P22 compound treatment 0.213 -0.0353 -1.74 0.196 -0.0429 -2.35 -2.8982 -0.9891 2076777 Maybridge3_003168 CS(=O)(=O)c1ccc(C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P23 mock treatment 0.19 -0.0583 -2.88 0.21 -0.0289 -1.59 -3.1585 -0.9605 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1439 P24 mock treatment 0.207 -0.0413 -2.04 0.199 -0.0399 -2.19 -2.9914 -0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A01 compound treatment 0.181 -0.0604 -2.98 0.2 -0.0433 -2.37 -3.7889 -0.9936 1068648 Maybridge3_003169 CS(=O)(=O)c1ccccc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A02 compound treatment 0.211 -0.0304 -1.5 0.214 -0.0293 -1.61 -2.1986 -0.9994 1446178 Maybridge3_003170 CC(Nc1ccccc1)(C#N)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A03 compound treatment 0.23 -0.0114 -0.56 0.231 -0.0123 -0.67 -0.876 -0.996 2076778 Maybridge3_003171 N#Cc1cc(Sc2ccccn2)c(Sc3ccccn3)cc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A04 compound treatment 0.202 -0.0394 -1.95 0.222 -0.0213 -1.17 -2.2027 -0.9702 1939240 Maybridge3_003172 Cc1ccc(o1)c2ccccc2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A05 compound treatment 0.203 -0.0384 -1.9 0.207 -0.0363 -1.99 -2.7493 -0.9997 1064867 Maybridge3_003173 CC(O)(C(=O)O)c1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A06 compound treatment 0.206 -0.0354 -1.75 0.215 -0.0283 -1.55 -2.3344 -0.9982 2076779 Maybridge3_003174 COC(=O)CC1CS(=O)(=O)C=C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A07 compound treatment 0.22 -0.0214 -1.06 0.215 -0.0283 -1.55 -1.8455 -0.9825 2076780 Maybridge3_003175 Cc1ccc(cc1)C(=O)C#Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A08 compound treatment 0.227 -0.0144 -0.71 0.215 -0.0283 -1.55 -1.6011 -0.9375 1172461 Maybridge3_003176 Nc1[nH]nc(c1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A09 compound treatment 0.207 -0.0344 -1.7 0.224 -0.0193 -1.06 -1.9505 -0.9741 2076781 Maybridge3_003177 Cc1cc(C)c(CO)cc1CO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A10 compound treatment 0.203 -0.0384 -1.9 0.208 -0.0353 -1.94 -2.7105 -0.9999 1043206 Maybridge3_003178 NC(=O)C1=C(CCCC1)N=C2CCCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A11 compound treatment 0.233 -0.00842 -0.42 0.222 -0.0213 -1.17 -1.1202 -0.9032 1661951 Maybridge3_003179 O=C(Cc1ccccc1)N2CCC(CC2)NC(=O)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A12 compound treatment 0.247 0.00558 0.28 0.242 -0.00131 -0.07 0.1441 0.5059 1253602 Maybridge3_003180 O=C(Oc1cc(=O)n(c2ccccc2)c3ccccc13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A13 compound treatment 0.232 -0.00942 -0.47 0.223 -0.0203 -1.11 -1.1163 -0.925 1193425 Maybridge3_003181 O=c1cc(oc2ccccc12)c3cc4ccccc4o3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A14 compound treatment 0.277 0.0356 1.76 0.261 0.0177 0.97 1.9282 0.9608 2076782 Maybridge3_003182 CCSc1nc(O)nc(n1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A15 compound treatment 0.22 -0.0214 -1.06 0.228 -0.0153 -0.84 -1.3415 -0.9934 2076783 Maybridge3_003183 CCC1=CC(=O)C=C(CC)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A16 compound treatment 0.237 -0.00442 -0.22 0.239 -0.00431 -0.24 -0.3214 -0.9992 2076784 Maybridge3_003184 Brc1ccc(NC(=O)/C=C/c2ccc3OCOc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A17 compound treatment 0.24 -0.00142 -0.07 0.222 -0.0213 -1.17 -0.8758 -0.7482 2076785 Maybridge3_003185 CC(C)(C)C(CO)/N=C/c1cccc(\C=N\C(CO)C(C)(C)C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A18 compound treatment 0.218 -0.0234 -1.16 0.236 -0.00731 -0.4 -1.1012 -0.8997 2076786 Maybridge3_003186 CC(=O)Nc1ccc(OC(=O)c2cccc(Cl)c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A19 compound treatment 0.22 -0.0214 -1.06 0.224 -0.0193 -1.06 -1.4966 -1.0 1418073 Maybridge3_003187 Cc1cc(C)c2c(N)c(sc2n1)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A20 compound treatment 0.239 -0.00242 -0.12 0.239 -0.00431 -0.24 -0.2516 -0.9501 2076787 Maybridge3_003188 COc1cc2CCN/C(=C/C#N)/c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A21 compound treatment 0.227 -0.0144 -0.71 0.239 -0.00431 -0.24 -0.6706 -0.8939 2076788 Maybridge3_003189 CCOC(=O)c1ccc(cc1)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A22 compound treatment 0.445 0.204 10.05 0.391 0.148 8.1 12.8346 0.9942 2076789 Maybridge3_003190 N/C(=C(/N=C/c1cccs1)\C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A23 mock treatment 0.239 -0.00242 -0.12 0.204 -0.0393 -2.16 -1.6086 -0.7452 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 A24 mock treatment 0.209 -0.0324 -1.6 0.179 -0.0643 -3.53 -3.6254 -0.9362 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B01 compound treatment 0.218 -0.0234 -1.16 0.219 -0.0243 -1.33 -1.7603 -0.9975 1669047 Maybridge3_003191 CC(C)(C)c1cc2[nH]c(cc(=O)n2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B02 compound treatment 0.248 0.00658 0.32 0.25 0.00669 0.37 0.4891 0.9982 2076790 Maybridge3_003192 Clc1ccc(CS(=O)(=O)/C(=C/NCc2cccnc2)/C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B03 compound treatment 0.262 0.0206 1.02 0.261 0.0177 0.97 1.4045 0.9997 2076791 Maybridge3_003193 COc1cccc(c1)C(=O)/C=C/2\NC(=O)CS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B04 compound treatment 0.253 0.0116 0.57 0.249 0.00569 0.31 0.625 0.9594 2076792 Maybridge3_003194 O=S(=O)(/C(=C/c1ccc(C#N)cc1)/C#N)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B05 compound treatment 0.336 0.0946 4.67 0.301 0.0577 3.16 5.5392 0.982 2076793 Maybridge3_003195 Fc1cccc(Cl)c1CN/C(=C(\NCc2ccccc2)/C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B06 compound treatment 0.294 0.0526 2.6 0.278 0.0347 1.9 3.1809 0.9883 2076794 Maybridge3_003196 Fc1ccc(N/C=C(\C#N)/S(=O)(=O)c2nc3ccccc3s2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B07 compound treatment 0.269 0.0276 1.36 0.262 0.0187 1.02 1.6877 0.9902 1205401 Maybridge3_003197 O=c1c2CSCc2[nH]c3cc(nn13)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B08 compound treatment 0.264 0.0226 1.12 0.264 0.0207 1.13 1.5906 1.0 2076795 Maybridge3_003198 CN1c2ccccc2C(=O)/C(=C\Nc3cccnc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B09 compound treatment 0.263 0.0216 1.07 0.253 0.00969 0.53 1.1292 0.9483 1669057 Maybridge3_003199 Nc1c(C#N)cnc2cc(nn12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B10 compound treatment 0.253 0.0116 0.57 0.251 0.00769 0.42 0.7025 0.9888 2076796 Maybridge3_003200 Cc1c(csc1C(=O)NCc2ccco2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B11 compound treatment 0.252 0.0106 0.52 0.251 0.00769 0.42 0.6676 0.9943 1593149 Maybridge3_003201 Nc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B12 compound treatment 0.257 0.0156 0.77 0.256 0.0127 0.7 1.036 0.9987 2076797 Maybridge3_003202 CCCSc1sc(C(=O)OC)c(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B13 compound treatment 0.266 0.0246 1.21 0.256 0.0127 0.7 1.3503 0.9651 2076798 Maybridge3_003203 Clc1ccc(cc1)S(=O)(=O)/C(=C/NC2CCCCC2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B14 compound treatment 0.256 0.0146 0.72 0.249 0.00569 0.31 0.7297 0.9299 2076799 Maybridge3_003204 CSc1nc(nc(C2CC2)c1C#N)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B15 compound treatment 0.254 0.0126 0.62 0.251 0.00769 0.42 0.7374 0.9822 2076800 Maybridge3_003205 CSc1nc2cc(C)nn2c(c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B16 compound treatment 0.26 0.0186 0.92 0.256 0.0127 0.7 1.1408 0.9907 2076801 Maybridge3_003206 CCCS(=O)(=O)c1csc(C(=O)OC)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B17 compound treatment 0.262 0.0206 1.02 0.258 0.0147 0.81 1.2882 0.9934 2076802 Maybridge3_003207 CSC(=C(C#N)S(=O)(=O)c1ccc(Cl)cc1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B18 compound treatment 0.252 0.0106 0.52 0.248 0.00469 0.26 0.5513 0.9467 1656251 Maybridge3_003208 Cc1c(cnc2cc(nn12)C3CC3)S(=O)(=O)c4ccc(Cl)cc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B19 compound treatment 0.25 0.00858 0.42 0.248 0.00469 0.26 0.4814 0.9713 2076803 Maybridge3_003209 Cc1ccc(cc1)S(=O)(=O)C(=C2SCCS2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B20 compound treatment 0.251 0.00958 0.47 0.253 0.00969 0.53 0.7102 0.9983 2076804 Maybridge3_003210 CSc1nc2cc(C)nn2c(N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B21 compound treatment 0.252 0.0106 0.52 0.251 0.00769 0.42 0.6676 0.9943 2076805 Maybridge3_003211 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/NCc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B22 compound treatment 0.247 0.00558 0.28 0.245 0.00169 0.09 0.2604 0.8956 2076806 Maybridge3_003212 CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B23 mock treatment 0.251 0.00958 0.47 0.247 0.00369 0.2 0.4776 0.9282 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 B24 mock treatment 0.244 0.00258 0.13 0.237 -0.00631 -0.35 -0.1545 -0.4191 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C01 compound treatment 0.206 -0.0354 -1.75 0.23 -0.0133 -0.73 -1.7528 -0.9249 1104734 Maybridge3_003213 CCOc1nc2ccccc2nc1OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C02 compound treatment 0.243 0.00158 0.08 0.242 -0.00131 -0.07 0.0044 0.0414 1311281 Maybridge3_003214 OC(c1ccccc1)c2ccc3ccccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C03 compound treatment 0.238 -0.00342 -0.17 0.239 -0.00431 -0.24 -0.2865 -0.9864 1510028 Maybridge3_003215 CC(=O)NC1(CC2CC3C1)CC(C2)(C3)NC(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C04 compound treatment 0.242 5.81E-4 0.03 0.238 -0.00531 -0.29 -0.1856 -0.6344 1447901 Maybridge3_003216 CCc1cc(C(=O)OC)c(N)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C05 compound treatment 0.237 -0.00442 -0.22 0.233 -0.0103 -0.57 -0.5541 -0.9143 1081649 Maybridge3_003217 C1CSC(SC1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C06 compound treatment 0.252 0.0106 0.52 0.25 0.00669 0.37 0.6288 0.985 1273375 Maybridge3_003218 Nc1nc(N)c(Cc2ccccc2)cc1Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C07 compound treatment 0.244 0.00258 0.13 0.239 -0.00431 -0.24 -0.077 -0.2868 1046863 Maybridge3_003219 COc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C08 compound treatment 0.298 0.0566 2.79 0.289 0.0457 2.51 3.7471 0.9985 2076807 Maybridge3_003220 Oc1nc2ccccc2nc1c3c[nH]c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C09 compound treatment 0.253 0.0116 0.57 0.246 0.00269 0.15 0.5087 0.8613 1390805 Maybridge3_003221 COC(=O)C1=C(O)c2cccc3CCCN(C1)c32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C10 compound treatment 0.24 -0.00142 -0.07 0.244 6.9E-4 0.04 -0.0228 -0.2866 1535739 Maybridge3_003222 OC(C(O)C(=O)Nc1ccc(Cl)cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C11 compound treatment 0.243 0.00158 0.08 0.239 -0.00431 -0.24 -0.1119 -0.4497 1741837 Maybridge3_003223 O=C(NC1CCN(CC1)C(=O)C2CCCCC2)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C12 compound treatment 0.235 -0.00642 -0.32 0.238 -0.00531 -0.29 -0.43 -0.9991 1076384 Maybridge3_003224 CCOC(=O)c1cncc(c1)C(=O)OCC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C13 compound treatment 0.255 0.0136 0.67 0.251 0.00769 0.42 0.7723 0.975 2076808 Maybridge3_003225 COc1cccc(c1)c2coc3cc(O)ccc3c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C14 compound treatment 0.261 0.0196 0.97 0.252 0.00869 0.48 1.0206 0.9468 2076809 Maybridge3_003226 Oc1cc(Nc2cccc(c2)C(F)(F)F)ncn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C15 compound treatment 0.237 -0.00442 -0.22 0.24 -0.00331 -0.18 -0.2827 -0.9958 1031533 Maybridge3_003227 O=S(=O)(CS(=O)(=O)c1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C16 compound treatment 0.249 0.00758 0.37 0.253 0.00969 0.53 0.6404 0.9853 2076810 Maybridge3_003228 O=C(/C=C/c1cccc2ccccc12)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C17 compound treatment 0.25 0.00858 0.42 0.25 0.00669 0.37 0.559 0.9974 1618528 Maybridge3_003229 CC(=O)Oc1ccc(CC2SC(=O)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C18 compound treatment 0.245 0.00358 0.18 0.25 0.00669 0.37 0.3844 0.944 2076811 Maybridge3_003230 Nc1ccc(Cl)cc1c2ncon2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C19 compound treatment 0.239 -0.00242 -0.12 0.242 -0.00131 -0.07 -0.1353 -0.9704 2076812 Maybridge3_003231 CC(C)(C)C1=CC(O)(C=C(C1=O)C(C)(C)C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C20 compound treatment 0.241 -4.19E-4 -0.02 0.238 -0.00531 -0.29 -0.2205 -0.7555 1396441 Maybridge3_003232 COc1ccccc1c2cc3nc(C)cc(C)n3n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C21 compound treatment 0.238 -0.00342 -0.17 0.241 -0.00231 -0.13 -0.209 -0.99 2076813 Maybridge3_003233 CS/C(=N/c1ccc(Cl)cc1)/N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C22 compound treatment 0.24 -0.00142 -0.07 0.24 -0.00331 -0.18 -0.1779 -0.9144 1191386 Maybridge3_003234 Cc1nc2ccccc2c(C(=O)O)c1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C23 mock treatment 0.237 -0.00442 -0.22 0.237 -0.00631 -0.35 -0.399 -0.9753 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 C24 mock treatment 0.227 -0.0144 -0.71 0.234 -0.00931 -0.51 -0.8645 -0.9867 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D01 compound treatment 0.25 0.00858 0.42 0.242 -0.00131 -0.07 0.2488 0.5789 2076814 Maybridge3_003235 N/C(=C(\NCc1c(F)cccc1Cl)/C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D02 compound treatment 0.248 0.00658 0.32 0.249 0.00569 0.31 0.4504 0.9998 2076815 Maybridge3_003236 N/C(=N\O)/c1ccc(cc1)C2OCCO2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D03 compound treatment 0.255 0.0136 0.67 0.256 0.0127 0.7 0.9662 0.9998 2076816 Maybridge3_003237 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D04 compound treatment 0.279 0.0376 1.86 0.287 0.0437 2.4 3.0061 0.992 2076817 Maybridge3_003238 CSC(=C(C#N)C(=O)c1ccc(Cl)cc1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D05 compound treatment 0.255 0.0136 0.67 0.255 0.0117 0.64 0.9274 0.9997 2076818 Maybridge3_003239 Cc1cc(C)n2nc(c(Br)c2n1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D06 compound treatment 0.269 0.0276 1.36 0.267 0.0237 1.3 1.8815 0.9997 2076819 Maybridge3_003240 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)c2cccs2)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D07 compound treatment 0.26 0.0186 0.92 0.255 0.0117 0.64 1.102 0.9846 2076820 Maybridge3_003241 CC(=N)Nc1cc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D08 compound treatment 0.286 0.0446 2.2 0.287 0.0437 2.4 3.2505 0.9991 2076821 Maybridge3_003242 COc1ccc(cc1)C(=O)C(=C(SC)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D09 compound treatment 0.249 0.00758 0.37 0.247 0.00369 0.2 0.4078 0.9583 2076822 Maybridge3_003243 CC(C)(C)c1cc2ncc(C#N)c(N)n2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D10 compound treatment 0.256 0.0146 0.72 0.258 0.0147 0.81 1.0787 0.9984 2076823 Maybridge3_003244 CS(=O)(=O)c1noc(c1C#N)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D11 compound treatment 0.276 0.0346 1.71 0.27 0.0267 1.46 2.2423 0.997 2076824 Maybridge3_003245 O=C(Nc1ccc(cc1)C2SCCS2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D12 compound treatment 0.248 0.00658 0.32 0.251 0.00769 0.42 0.5279 0.9917 1371807 Maybridge3_003246 CC(C)C(=O)Nc1cscc1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D13 compound treatment 0.258 0.0166 0.82 0.247 0.00369 0.2 0.722 0.8561 2076825 Maybridge3_003247 CSc1[nH]nc(c1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D14 compound treatment 0.248 0.00658 0.32 0.251 0.00769 0.42 0.5279 0.9917 2076826 Maybridge3_003248 CC(=O)Nc1cscc1S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D15 compound treatment 0.251 0.00958 0.47 0.251 0.00769 0.42 0.6327 0.9983 2076827 Maybridge3_003249 CSc1nc(C)nc(c1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D16 compound treatment 0.263 0.0216 1.07 0.266 0.0227 1.24 1.6332 0.997 2076828 Maybridge3_003250 COC(=O)C1=C(CSC1)Nc2ccc(F)c(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D17 compound treatment 0.273 0.0316 1.56 0.268 0.0247 1.35 2.06 0.9975 2076829 Maybridge3_003251 O=C(C(=C1SCCS1)C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D18 compound treatment 0.271 0.0296 1.46 0.263 0.0197 1.08 1.7963 0.9889 2076830 Maybridge3_003252 Cn1cc(Br)c(n1)c2cccc(NC(=O)c3ccccc3Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D19 compound treatment 0.279 0.0376 1.86 0.28 0.0367 2.01 2.7347 0.9992 2076831 Maybridge3_003253 CS/C(=C(/C#N)\C(=O)c1cccs1)/NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D20 compound treatment 0.271 0.0296 1.46 0.25 0.00669 0.37 1.2923 0.858 2076832 Maybridge3_003254 CC(C)SC(=O)c1scc(c1Cl)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D21 compound treatment 0.247 0.00558 0.28 0.249 0.00569 0.31 0.4155 0.9981 2076833 Maybridge3_003255 CS/C(=C(\C#N)/S(=O)(=O)c1ccc(Cl)cc1)/NCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D22 compound treatment 0.249 0.00758 0.37 0.245 0.00169 0.09 0.3302 0.8563 2076834 Maybridge3_003256 Cn1ccnc1S(=O)(=O)/C(=C/c2ccccc2Cl)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D23 mock treatment 0.248 0.00658 0.32 0.249 0.00569 0.31 0.4504 0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 D24 mock treatment 0.237 -0.00442 -0.22 0.24 -0.00331 -0.18 -0.2827 -0.9958 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E01 compound treatment 0.238 -0.00342 -0.17 0.246 0.00269 0.15 -0.0151 -0.0674 2076835 Maybridge3_003257 Nc1nc(N)c(SC#N)cc1SC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E02 compound treatment 0.247 0.00558 0.28 0.249 0.00569 0.31 0.4155 0.9981 1519134 Maybridge3_003258 CCOC(=O)COc1ccc(cc1)C2C(=C(C)NC(=C2C#N)C)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E03 compound treatment 0.248 0.00658 0.32 0.247 0.00369 0.2 0.3728 0.974 1471463 Maybridge3_003259 Clc1ccccc1C(=O)ON2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E04 compound treatment 0.271 0.0296 1.46 0.267 0.0237 1.3 1.9514 0.9983 2076836 Maybridge3_003260 C(=C/c1ccccc1)\c2c[nH]c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E05 compound treatment 0.249 0.00758 0.37 0.249 0.00569 0.31 0.4853 0.9959 1400566 Maybridge3_003261 CCc1cc2c(=O)c(coc2cc1O)c3nc4ccccc4[nH]3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E06 compound treatment 0.254 0.0126 0.62 0.254 0.0107 0.59 0.8537 0.9996 2076837 Maybridge3_003262 CCOC(=O)n1c(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E07 compound treatment 0.257 0.0156 0.77 0.251 0.00769 0.42 0.8422 0.9599 1494804 Maybridge3_003263 CCOc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E08 compound treatment 0.266 0.0246 1.21 0.26 0.0167 0.92 1.5054 0.9903 1539411 Maybridge3_003264 CCCCC1(O)C(=O)N(c2ccccc2)c3ccccc3C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E09 compound treatment 0.253 0.0116 0.57 0.25 0.00669 0.37 0.6637 0.977 1489086 Maybridge3_003265 CCOC(=O)c1c(Cl)c2ccccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E10 compound treatment 0.258 0.0166 0.82 0.257 0.0137 0.75 1.1097 0.9991 1034909 Maybridge3_003266 CC(=O)Nc1ccc(O)c(c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E11 compound treatment 0.247 0.00558 0.28 0.249 0.00569 0.31 0.4155 0.9981 1202196 Maybridge3_003267 O=C(Cc1ccccc1)NC2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E12 compound treatment 0.255 0.0136 0.67 0.256 0.0127 0.7 0.9662 0.9998 1377386 Maybridge3_003268 CN(C)CC1CCc2c(C1=O)c3ccccc3n2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E13 compound treatment 0.26 0.0186 0.92 0.253 0.00969 0.53 1.0245 0.9663 1735299 Maybridge3_003269 Cc1cccc(c1)C(=O)Nc2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E14 compound treatment 0.249 0.00758 0.37 0.252 0.00869 0.48 0.6016 0.9929 2076838 Maybridge3_003270 CN(C)c1nc(O)nc(n1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E15 compound treatment 0.252 0.0106 0.52 0.25 0.00669 0.37 0.6288 0.985 1039961 Maybridge3_003271 CCS(=O)(=O)Cc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E16 compound treatment 0.258 0.0166 0.82 0.257 0.0137 0.75 1.1097 0.9991 2076839 Maybridge3_003272 CC1CN(CC(C)O1)C(=O)/C=C/c2cccc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E17 compound treatment 0.256 0.0146 0.72 0.262 0.0187 1.02 1.2337 0.9851 2076840 Maybridge3_003273 COc1cc(/C=C/C(=O)NCC(=O)O)cc(Br)c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E18 compound treatment 0.257 0.0156 0.77 0.257 0.0137 0.75 1.0748 0.9999 1419130 Maybridge3_003274 Cc1cc(NS(=O)(=O)c2cccs2)[nH]n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E19 compound treatment 0.247 0.00558 0.28 0.25 0.00669 0.37 0.4542 0.9901 1439291 Maybridge3_003275 O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E20 compound treatment 0.248 0.00658 0.32 0.247 0.00369 0.2 0.3728 0.974 1725656 Maybridge3_003276 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E21 compound treatment 0.251 0.00958 0.47 0.251 0.00769 0.42 0.6327 0.9983 2076841 Maybridge3_003277 C/C(=N\c1ccc(Cl)cc1)/c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E22 compound treatment 0.251 0.00958 0.47 0.249 0.00569 0.31 0.5551 0.9796 1152916 Maybridge3_003278 CC(=O)Nc1cc(nn1c2ccccc2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E23 mock treatment 0.246 0.00458 0.23 0.248 0.00469 0.26 0.3418 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 E24 mock treatment 0.239 -0.00242 -0.12 0.24 -0.00331 -0.18 -0.2128 -0.9794 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F01 compound treatment 0.238 -0.00342 -0.17 0.238 -0.00531 -0.29 -0.3253 -0.9664 1378824 Maybridge3_003279 CC(C)(C)c1ccc(cc1)c2cc(N)[nH]n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F02 compound treatment 0.252 0.0106 0.52 0.251 0.00769 0.42 0.6676 0.9943 2076842 Maybridge3_003280 CC(C)N/C=C/1\C(=O)c2ccccc2N(C)S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F03 compound treatment 0.267 0.0256 1.26 0.264 0.0207 1.13 1.6954 0.9986 2076843 Maybridge3_003281 FC(F)(F)c1cc(nc2cc(nn12)c3ccco3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F04 compound treatment 0.255 0.0136 0.67 0.258 0.0147 0.81 1.0437 0.9959 2076844 Maybridge3_003282 Clc1cc(Cl)cc(N/C=C(\C#N)/S(=O)(=O)c2ccccn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F05 compound treatment 0.258 0.0166 0.82 0.254 0.0107 0.59 0.9934 0.9866 2076845 Maybridge3_003283 CC(=O)Nc1cc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F06 compound treatment 0.267 0.0256 1.26 0.261 0.0177 0.97 1.5791 0.9915 2076846 Maybridge3_003284 Fc1ccc(N/C=C(\C#N)/S(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F07 compound treatment 0.305 0.0636 3.14 0.299 0.0557 3.05 4.3792 0.9999 2076847 Maybridge3_003285 Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(c3ccco3)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F08 compound treatment 0.298 0.0566 2.79 0.274 0.0307 1.68 3.1655 0.9705 2076848 Maybridge3_003286 CSC(=C(C#N)C(=O)c1cccc(Cl)c1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F09 compound treatment 0.246 0.00458 0.23 0.251 0.00769 0.42 0.4581 0.9574 2076849 Maybridge3_003287 Clc1ccc(cc1)S(=O)(=O)/C(=C/NCc2ccccn2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F10 compound treatment 0.257 0.0156 0.77 0.253 0.00969 0.53 0.9197 0.9837 2076850 Maybridge3_003288 CS(=O)(=O)c1noc(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F11 compound treatment 0.282 0.0406 2.0 0.264 0.0207 1.13 2.2191 0.9637 2076851 Maybridge3_003289 Fc1ccc(SCC(=O)Nc2ccc(cc2)C3SCCS3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F12 compound treatment 0.258 0.0166 0.82 0.256 0.0127 0.7 1.0709 0.9967 2076852 Maybridge3_003290 CCSc1sc(C(=O)O)c(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F13 compound treatment 0.265 0.0236 1.16 0.254 0.0107 0.59 1.2378 0.9495 2076853 Maybridge3_003291 CC(=O)Nc1cc(n[nH]1)C2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F14 compound treatment 0.256 0.0146 0.72 0.256 0.0127 0.7 1.0011 0.9999 2076854 Maybridge3_003292 C/C(=N\O)/CS(=O)(=O)c1ccc(Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F15 compound treatment 0.258 0.0166 0.82 0.263 0.0197 1.08 1.3423 0.9907 1219781 Maybridge3_003293 CSc1nc(N)n2nc(cc2n1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F16 compound treatment 0.258 0.0166 0.82 0.26 0.0167 0.92 1.226 0.9985 2076855 Maybridge3_003294 COC(=O)C1=C(CSC1)Nc2cc(Cl)cc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F17 compound treatment 0.27 0.0286 1.41 0.278 0.0347 1.9 2.3429 0.9892 2076856 Maybridge3_003295 O=C(C(=C1SCCS1)C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F18 compound treatment 0.256 0.0146 0.72 0.262 0.0187 1.02 1.2337 0.9851 2076857 Maybridge3_003296 COC(=O)c1sc(SC)c(c1C)c2cc[nH]n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F19 compound treatment 0.259 0.0176 0.87 0.257 0.0137 0.75 1.1446 0.9974 2076858 Maybridge3_003297 CCOC(=O)Cn1nc(c(C#N)c1SC)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F20 compound treatment 0.252 0.0106 0.52 0.253 0.00969 0.53 0.7451 1.0 1539986 Maybridge3_003298 CSc1nc2cc(nn2c(N)c1C#N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F21 compound treatment 0.271 0.0296 1.46 0.266 0.0227 1.24 1.9126 0.9968 2076859 Maybridge3_003299 Cc1cc(C)cc(N/C=C(\C#N)/S(=O)(=O)Cc2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F22 compound treatment 0.251 0.00958 0.47 0.25 0.00669 0.37 0.5939 0.9921 1301446 Maybridge3_003300 CC(C)S(=O)(=O)c1cscc1NS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F23 mock treatment 0.254 0.0126 0.62 0.249 0.00569 0.31 0.6599 0.9492 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 F24 mock treatment 0.243 0.00158 0.08 0.246 0.00269 0.15 0.1595 0.9557 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G01 compound treatment 0.243 0.00158 0.08 0.243 -3.1E-4 -0.02 0.0432 0.5403 1425476 Maybridge3_003301 OC(=O)Cc1csc(NC(=O)CSc2ccccc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G02 compound treatment 0.272 0.0306 1.51 0.273 0.0297 1.63 2.2189 0.9993 1141652 Maybridge3_003302 COC(=O)C1=C(C)NC2=C(C1c3ccccc3Cl)C(=O)CC(C)(C)C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G03 compound treatment 0.25 0.00858 0.42 0.253 0.00969 0.53 0.6753 0.9937 1392756 Maybridge3_003303 O=C(COc1ccccc1)ON2C(=O)CCC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G04 compound treatment 0.297 0.0556 2.74 0.269 0.0257 1.41 2.9368 0.952 1734390 Maybridge3_003304 Cc1cccc(CC(=O)c2c[nH]c3ccccc23)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G05 compound treatment 0.251 0.00958 0.47 0.252 0.00869 0.48 0.6714 1.0 1395122 Maybridge3_003305 CC(=O)Oc1ccc2c(c1)oc(=O)c3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G06 compound treatment 0.253 0.0116 0.57 0.254 0.0107 0.59 0.8188 0.9999 1271419 Maybridge3_003306 CCC(CO)NC(=O)c1cc(OC)c(OC)c(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G07 compound treatment 0.287 0.0456 2.25 0.285 0.0417 2.29 3.2079 1.0 1654550 Maybridge3_003307 CCOC(=O)COc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G08 compound treatment 0.266 0.0246 1.21 0.255 0.0117 0.64 1.3115 0.9555 1516484 Maybridge3_003308 CCCCC1(O)C(=O)N(C)c2ccccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G09 compound treatment 0.253 0.0116 0.57 0.253 0.00969 0.53 0.78 0.9993 1305905 Maybridge3_003309 Cc1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4n3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G10 compound treatment 0.26 0.0186 0.92 0.257 0.0137 0.75 1.1796 0.995 1491822 Maybridge3_003310 CNCCc1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G11 compound treatment 0.245 0.00358 0.18 0.249 0.00569 0.31 0.3456 0.9638 1420239 Maybridge3_003311 O=C(NC1CCN(CC1)C(=O)c2ccco2)C3CCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G12 compound treatment 0.257 0.0156 0.77 0.256 0.0127 0.7 1.036 0.9987 2076860 Maybridge3_003312 FC(F)(F)Oc1ccc(/N=C/c2ccc(Cl)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G13 compound treatment 0.256 0.0146 0.72 0.253 0.00969 0.53 0.8848 0.9888 1921995 Maybridge3_003313 Clc1cccc(NC(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G14 compound treatment 0.249 0.00758 0.37 0.248 0.00469 0.26 0.4465 0.9832 2076861 Maybridge3_003314 Cn1nc(nc1O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G15 compound treatment 0.251 0.00958 0.47 0.253 0.00969 0.53 0.7102 0.9983 1077279 Maybridge3_003315 CC1(CC1(C)C(=O)O)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G16 compound treatment 0.248 0.00658 0.32 0.248 0.00469 0.26 0.4116 0.9933 2076862 Maybridge3_003316 O=C(/C=C/c1cccc2ccccc12)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G17 compound treatment 0.256 0.0146 0.72 0.256 0.0127 0.7 1.0011 0.9999 2076863 Maybridge3_003317 C/C(=N\c1ccccc1C(F)(F)F)/c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G18 compound treatment 0.28 0.0386 1.91 0.29 0.0467 2.56 3.1573 0.9894 2076864 Maybridge3_003318 Fc1cccc(Nc2n[nH]c(=S)s2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G19 compound treatment 0.272 0.0306 1.51 0.247 0.00369 0.2 1.2109 0.7947 1207073 Maybridge3_003319 CC(Nc1ccc(Cl)cc1)(C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G20 compound treatment 0.244 0.00258 0.13 0.249 0.00569 0.31 0.3107 0.922 2076865 Maybridge3_003320 Clc1ccc(SCCS(=O)(=O)c2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G21 compound treatment 0.24 -0.00142 -0.07 0.237 -0.00631 -0.35 -0.2942 -0.8334 1131674 Maybridge3_003321 CC(Nc1ccccc1)(C#N)c2ccncc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G22 compound treatment 0.25 0.00858 0.42 0.255 0.0117 0.64 0.7528 0.9798 1314413 Maybridge3_003322 COc1cccc(c1)c2cc3[nH]c(cc(=O)n3n2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G23 mock treatment 0.247 0.00558 0.28 0.245 0.00169 0.09 0.2604 0.8956 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 G24 mock treatment 0.235 -0.00642 -0.32 0.243 -3.1E-4 -0.02 -0.2362 -0.744 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H01 compound treatment 0.245 0.00358 0.18 0.246 0.00269 0.15 0.2293 0.9959 1370357 Maybridge3_003323 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H02 compound treatment 0.252 0.0106 0.52 0.249 0.00569 0.31 0.59 0.9696 2076866 Maybridge3_003324 Clc1ccccc1/C=C(\C#N)/S(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H03 compound treatment 0.286 0.0446 2.2 0.27 0.0267 1.46 2.5914 0.9803 2076867 Maybridge3_003325 FC(F)(F)c1cc(nc2cc(nn12)C3CC3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H04 compound treatment 0.253 0.0116 0.57 0.25 0.00669 0.37 0.6637 0.977 2076868 Maybridge3_003326 Clc1ccccc1N/C=C(\C#N)/S(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H05 compound treatment 0.266 0.0246 1.21 0.261 0.0177 0.97 1.5441 0.9938 2076869 Maybridge3_003327 COc1ccccc1N/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H06 compound treatment 0.305 0.0636 3.14 0.292 0.0487 2.67 4.1078 0.9967 2076870 Maybridge3_003328 CCOC(=O)/C(=C\Nc1ccc(F)cc1)/S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H07 compound treatment 0.266 0.0246 1.21 0.275 0.0317 1.74 2.0869 0.9846 1351121 Maybridge3_003329 CC(C)(C)c1cc2ncc(c(N)n2n1)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H08 compound treatment 0.256 0.0146 0.72 0.256 0.0127 0.7 1.0011 0.9999 2076871 Maybridge3_003330 CS(=O)(=O)c1cccs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H09 compound treatment 0.276 0.0346 1.71 0.271 0.0277 1.52 2.281 0.9983 2076872 Maybridge3_003331 CC(=O)Nc1ccc(cc1)C2SCCS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H10 compound treatment 0.256 0.0146 0.72 0.257 0.0137 0.75 1.0399 0.9998 2076873 Maybridge3_003332 Cc1ccc(cc1)c2[nH]nc(c2C#N)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H11 compound treatment 0.25 0.00858 0.42 0.252 0.00869 0.48 0.6365 0.9983 2076874 Maybridge3_003333 Cc1cc(C)n2ncc(/C(=N/O)/N)c2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H12 compound treatment 0.252 0.0106 0.52 0.255 0.0117 0.64 0.8227 0.9949 2076875 Maybridge3_003334 Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc2nccs2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H13 compound treatment 0.259 0.0176 0.87 0.249 0.00569 0.31 0.8345 0.9046 2076876 Maybridge3_003335 CS(=O)(=O)c1[nH]nc(c1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H14 compound treatment 0.279 0.0376 1.86 0.285 0.0417 2.29 2.9286 0.9947 2076877 Maybridge3_003336 CSC(=C(C#N)C(=O)c1cccc(C)c1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H15 compound treatment 0.219 -0.0224 -1.11 0.222 -0.0213 -1.17 -1.609 -0.9996 1613210 Maybridge3_003337 CCOC(=O)c1c[nH]c2cc(nn2c1=O)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H16 compound treatment 0.248 0.00658 0.32 0.255 0.0117 0.64 0.683 0.9504 2076878 Maybridge3_003338 COC(=O)c1scc(c1n2cccc2)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H17 compound treatment 0.262 0.0206 1.02 0.257 0.0137 0.75 1.2494 0.9889 2076879 Maybridge3_003339 O=C(C1CC1)C(=C2SCCS2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H18 compound treatment 0.249 0.00758 0.37 0.249 0.00569 0.31 0.4853 0.9959 2076880 Maybridge3_003340 Fc1ccccc1S(=O)(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H19 compound treatment 0.274 0.0326 1.61 0.262 0.0187 1.02 1.8623 0.9763 2076881 Maybridge3_003341 COC(=O)c1sc(SC)c(C#N)c1c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H20 compound treatment 0.248 0.00658 0.32 0.246 0.00269 0.15 0.3341 0.9361 1308477 Maybridge3_003342 CC(C)NC(=O)c1scc(c1Cl)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H21 compound treatment 0.25 0.00858 0.42 0.25 0.00669 0.37 0.559 0.9974 2076882 Maybridge3_003343 CSc1n[nH]c(N)c1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H22 compound treatment 0.25 0.00858 0.42 0.244 6.9E-4 0.04 0.3264 0.7672 2076883 Maybridge3_003344 Cn1ccnc1S(=O)(=O)/C(=C/c2ccc(cc2)C(F)(F)F)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H23 mock treatment 0.247 0.00558 0.28 0.254 0.0107 0.59 0.6093 0.9408 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 H24 mock treatment 0.254 0.0126 0.62 0.243 -3.1E-4 -0.02 0.4273 0.6875 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I01 compound treatment 0.244 0.00258 0.13 0.243 -3.1E-4 -0.02 0.0781 0.6073 1156826 Maybridge3_003345 NC(=O)CNC(=O)CSc1ccccn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I02 compound treatment 0.252 0.0106 0.52 0.254 0.0107 0.59 0.7839 0.9984 1684929 Maybridge3_003346 C=CCC(NCc1ccccc1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I03 compound treatment 0.254 0.0126 0.62 0.255 0.0117 0.64 0.8925 0.9999 1538526 Maybridge3_003347 NC(=O)CNC(=O)COc1ccccc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I04 compound treatment 0.256 0.0146 0.72 0.256 0.0127 0.7 1.0011 0.9999 1519654 Maybridge3_003348 CCN(CC)C(=O)c1cc(O)cc(O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I05 compound treatment 0.253 0.0116 0.57 0.254 0.0107 0.59 0.8188 0.9999 1917300 Maybridge3_003349 N=C1SC2CS(=O)(=O)CC2N1c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I06 compound treatment 0.256 0.0146 0.72 0.26 0.0167 0.92 1.1562 0.993 1053212 Maybridge3_003350 CNc1ccc(cc1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I07 compound treatment 0.254 0.0126 0.62 0.257 0.0137 0.75 0.97 0.9956 1463264 Maybridge3_003351 CC(Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I08 compound treatment 0.261 0.0196 0.97 0.257 0.0137 0.75 1.2145 0.9922 2076884 Maybridge3_003352 CCOC(=O)c1c(C)n[nH]c1/N=C/c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I09 compound treatment 0.255 0.0136 0.67 0.248 0.00469 0.26 0.656 0.9134 1610357 Maybridge3_003353 O=C(N1CCCC1)C2(CC3CC4C2)CC(C3)CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I10 compound treatment 0.281 0.0396 1.95 0.271 0.0277 1.52 2.4556 0.9922 1486810 Maybridge3_003354 CCOC(=O)c1cc2c(cn1)[nH]c3ccccc32 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I11 compound treatment 0.25 0.00858 0.42 0.251 0.00769 0.42 0.5977 1.0 1586479 Maybridge3_003355 Cc1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I12 compound treatment 0.25 0.00858 0.42 0.259 0.0157 0.86 0.9079 0.9468 2076885 Maybridge3_003356 CSc1nc(N)n(n1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I13 compound treatment 0.264 0.0226 1.12 0.261 0.0177 0.97 1.4743 0.9976 1549605 Maybridge3_003357 COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I14 compound treatment 0.255 0.0136 0.67 0.255 0.0117 0.64 0.9274 0.9997 2076886 Maybridge3_003358 Oc1nc(n[nH]1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I15 compound treatment 0.249 0.00758 0.37 0.252 0.00869 0.48 0.6016 0.9929 1623834 Maybridge3_003359 COc1cccc(C(=O)O)c1OCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I16 compound treatment 0.245 0.00358 0.18 0.253 0.00969 0.53 0.5007 0.8942 1577196 Maybridge3_003360 CCOC(=O)c1ccc(N2CCCCC2)c(N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I17 compound treatment 0.264 0.0226 1.12 0.259 0.0157 0.86 1.3968 0.9918 2076887 Maybridge3_003361 COC1OC(=O)c2cc(OC)cc(OC)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I18 compound treatment 0.259 0.0176 0.87 0.257 0.0137 0.75 1.1446 0.9974 1425053 Maybridge3_003362 O=S(=O)(CCN1CCOCC1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I19 compound treatment 0.252 0.0106 0.52 0.257 0.0137 0.75 0.9002 0.9843 1426352 Maybridge3_003363 CCCCc1c(O)[nH]c2n(ncc2c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I20 compound treatment 0.28 0.0386 1.91 0.278 0.0347 1.9 2.6921 1.0 1646337 Maybridge3_003364 O=c1cc([nH]c2cc(nn12)c3cccs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I21 compound treatment 0.257 0.0156 0.77 0.254 0.0107 0.59 0.9585 0.991 2076888 Maybridge3_003365 C/C(=N\c1ccc(Cl)cc1)/c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I22 compound treatment 0.26 0.0186 0.92 0.258 0.0147 0.81 1.2183 0.9979 1475476 Maybridge3_003366 Cc1nn(c2nc(O)cc(C)c12)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I23 mock treatment 0.253 0.0116 0.57 0.251 0.00769 0.42 0.7025 0.9888 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 I24 mock treatment 0.237 -0.00442 -0.22 0.248 0.00469 0.26 0.0275 0.0816 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J01 compound treatment 0.271 0.0296 1.46 0.282 0.0387 2.12 2.5329 0.9834 1204610 Maybridge3_003367 CC(C)(C)C(=O)Nc1c(Cl)c(nn1c2ccccc2)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J02 compound treatment 0.246 0.00458 0.23 0.248 0.00469 0.26 0.3418 0.998 2076889 Maybridge3_003368 CSc1nc(nc(c2ccco2)c1C#N)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J03 compound treatment 0.241 -4.19E-4 -0.02 0.238 -0.00531 -0.29 -0.2205 -0.7555 1454802 Maybridge3_003369 Cn1nc(cc1N)c2ccc(cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J04 compound treatment 0.249 0.00758 0.37 0.249 0.00569 0.31 0.4853 0.9959 2076890 Maybridge3_003370 CSc1c(C(=O)N)c(nn1C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J05 compound treatment 0.246 0.00458 0.23 0.248 0.00469 0.26 0.3418 0.998 2076891 Maybridge3_003371 COc1c(Cl)scc1C(=O)NCc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J06 compound treatment 0.25 0.00858 0.42 0.253 0.00969 0.53 0.6753 0.9937 1209649 Maybridge3_003372 Cc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J07 compound treatment 0.253 0.0116 0.57 0.251 0.00769 0.42 0.7025 0.9888 2076892 Maybridge3_003373 N/C(=N\O)/c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J08 compound treatment 0.28 0.0386 1.91 0.276 0.0327 1.79 2.6145 0.9995 2076893 Maybridge3_003374 CSc1nn(c(N)c1S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J09 compound treatment 0.272 0.0306 1.51 0.252 0.00869 0.48 1.4047 0.8871 1221373 Maybridge3_003375 Nc1nc(ncc1S(=O)(=O)c2ccc(Cl)cc2)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J10 compound treatment 0.248 0.00658 0.32 0.25 0.00669 0.37 0.4891 0.9982 2076894 Maybridge3_003376 O=S(=O)(Cc1cccc(C#N)c1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J11 compound treatment 0.268 0.0266 1.31 0.263 0.0197 1.08 1.6915 0.9953 1153118 Maybridge3_003377 COCc1cc(=O)n2nc(cc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J12 compound treatment 0.262 0.0206 1.02 0.254 0.0107 0.59 1.1331 0.9658 2076895 Maybridge3_003378 CCOC(OCC)c1ccc(/C=C(\C#N)/S(=O)(=O)c2ccccn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J13 compound treatment 0.276 0.0346 1.71 0.281 0.0377 2.07 2.6687 0.9955 2076896 Maybridge3_003379 CSC(=C(C#N)C(=O)c1ccccc1Cl)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J14 compound treatment 0.257 0.0156 0.77 0.256 0.0127 0.7 1.036 0.9987 2076897 Maybridge3_003380 CCCS(=O)(=O)/C(=C/Nc1ccccn1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J15 compound treatment 0.25 0.00858 0.42 0.252 0.00869 0.48 0.6365 0.9983 2076898 Maybridge3_003381 CC(C)(C)C(=O)C(=C1SCCCS1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J16 compound treatment 0.25 0.00858 0.42 0.253 0.00969 0.53 0.6753 0.9937 2076899 Maybridge3_003382 CCOC(=O)Cn1c(=O)c2ccsc2c3c(C#N)c(SC)sc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J17 compound treatment 0.256 0.0146 0.72 0.253 0.00969 0.53 0.8848 0.9888 2076900 Maybridge3_003383 CC(C)(C)C(=O)C(=C1SCCS1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J18 compound treatment 0.254 0.0126 0.62 0.254 0.0107 0.59 0.8537 0.9996 2076901 Maybridge3_003384 COC(=O)c1scc(c1NC(=O)c2ccccc2Cl)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J19 compound treatment 0.263 0.0216 1.07 0.26 0.0167 0.92 1.4006 0.9971 2076902 Maybridge3_003385 COC(=O)c1scc(c1N)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J20 compound treatment 0.251 0.00958 0.47 0.248 0.00469 0.26 0.5164 0.9589 1404620 Maybridge3_003386 CS(=O)(=O)c1csc(C(=O)NCc2cccnc2)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J21 compound treatment 0.254 0.0126 0.62 0.273 0.0297 1.63 1.5904 0.9128 2076903 Maybridge3_003387 Cc1cc(C)nc(N/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J22 compound treatment 0.248 0.00658 0.32 0.245 0.00169 0.09 0.2953 0.8739 1225987 Maybridge3_003388 CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J23 mock treatment 0.249 0.00758 0.37 0.246 0.00269 0.15 0.369 0.9171 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 J24 mock treatment 0.242 5.81E-4 0.03 0.246 0.00269 0.15 0.1246 0.8291 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K01 compound treatment 0.24 -0.00142 -0.07 0.242 -0.00131 -0.07 -0.1004 -0.9999 2076904 Maybridge3_003389 CCOC(=O)Cc1csc(NC(=O)CSc2ccccn2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K02 compound treatment 0.253 0.0116 0.57 0.249 0.00569 0.31 0.625 0.9594 1509883 Maybridge3_003390 Cc1ccc(o1)C(CC=C)NCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K03 compound treatment 0.249 0.00758 0.37 0.249 0.00569 0.31 0.4853 0.9959 1714615 Maybridge3_003391 CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)C(C)C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K04 compound treatment 0.248 0.00658 0.32 0.252 0.00869 0.48 0.5667 0.9826 2076905 Maybridge3_003392 CCCC(C1C(=O)CC(C)(C)CC1=O)C2C(=O)CC(C)(C)CC2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K05 compound treatment 0.254 0.0126 0.62 0.259 0.0157 0.86 1.0476 0.9872 1367596 Maybridge3_003393 Cc1ccc2oc(cc(=O)c2c1)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K06 compound treatment 0.258 0.0166 0.82 0.262 0.0187 1.02 1.3036 0.9938 1005727 Maybridge3_003394 OC(=O)C(Cc1ccccc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K07 compound treatment 0.279 0.0376 1.86 0.272 0.0287 1.57 2.4245 0.9966 2076906 Maybridge3_003395 O=C1C(C(=O)c2cc3ccccc3cc12)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K08 compound treatment 0.255 0.0136 0.67 0.262 0.0187 1.02 1.1988 0.9789 1700513 Maybridge3_003396 COc1ccc(cc1OC)c2c(C)n[nH]c2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K09 compound treatment 0.254 0.0126 0.62 0.255 0.0117 0.64 0.8925 0.9999 1447029 Maybridge3_003397 COc1ccccc1CC(=O)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K10 compound treatment 0.252 0.0106 0.52 0.254 0.0107 0.59 0.7839 0.9984 1057502 Maybridge3_003398 CC1(CC(=C(C#N)C(=O)N1)c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K11 compound treatment 0.248 0.00658 0.32 0.253 0.00969 0.53 0.6055 0.9722 1511939 Maybridge3_003399 Clc1cccc(Cl)c1C(=O)N2CCC(CC2)NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K12 compound treatment 0.253 0.0116 0.57 0.257 0.0137 0.75 0.9351 0.991 2076907 Maybridge3_003400 Cc1ccc(cc1)c2cncnc2NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K13 compound treatment 0.246 0.00458 0.23 0.258 0.0147 0.81 0.7295 0.872 1421340 Maybridge3_003401 COc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K14 compound treatment 0.248 0.00658 0.32 0.246 0.00269 0.15 0.3341 0.9361 2076908 Maybridge3_003402 Nc1ncnc(SCc2cccc(C#N)c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K15 compound treatment 0.254 0.0126 0.62 0.253 0.00969 0.53 0.815 0.997 2076909 Maybridge3_003403 COc1ccc2c(OC(=O)C)coc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K16 compound treatment 0.327 0.0856 4.23 0.346 0.103 5.63 6.9696 0.99 1404830 Maybridge3_003404 COc1cc2CCN=C(c3ccccc3N)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K17 compound treatment 0.263 0.0216 1.07 0.265 0.0217 1.19 1.5945 0.9985 1024059 Maybridge3_003405 COc1ccccc1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K18 compound treatment 0.277 0.0356 1.76 0.272 0.0287 1.57 2.3547 0.9985 2076910 Maybridge3_003406 Clc1ccc(cc1)S(=O)(=O)CCS(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K19 compound treatment 0.251 0.00958 0.47 0.249 0.00569 0.31 0.5551 0.9796 1326383 Maybridge3_003407 COC(=O)C1CC2CC(CC(C(=O)OC)C32SCCS3)C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K20 compound treatment 0.257 0.0156 0.77 0.252 0.00869 0.48 0.8809 0.9735 2076911 Maybridge3_003408 CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(C1)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K21 compound treatment 0.273 0.0316 1.56 0.286 0.0427 2.34 2.7578 0.9805 2076912 Maybridge3_003409 O=C(Oc1cccc2C(=O)C=CC(=O)c12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K22 compound treatment 0.315 0.0736 3.63 0.28 0.0367 2.01 3.9918 0.9611 2076913 Maybridge3_003410 N/C(=C(/N=C/c1c(F)cccc1Cl)\C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K23 mock treatment 0.249 0.00758 0.37 0.248 0.00469 0.26 0.4465 0.9832 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 K24 mock treatment 0.247 0.00558 0.28 0.248 0.00469 0.26 0.3767 0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L01 compound treatment 0.254 0.0126 0.62 0.265 0.0217 1.19 1.2802 0.9541 2076914 Maybridge3_003411 NC1=C(C#N)C(C(=C(O1)C2CC2)C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L02 compound treatment 0.251 0.00958 0.47 0.251 0.00769 0.42 0.6327 0.9983 1325572 Maybridge3_003412 Cc1cc(O)nc2n(C)nc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L03 compound treatment 0.259 0.0176 0.87 0.258 0.0147 0.81 1.1834 0.9993 1394349 Maybridge3_003413 CCOC(=O)c1c[nH]c2cc(nn2c1=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L04 compound treatment 0.251 0.00958 0.47 0.253 0.00969 0.53 0.7102 0.9983 1485401 Maybridge3_003414 CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L05 compound treatment 0.255 0.0136 0.67 0.256 0.0127 0.7 0.9662 0.9998 2076915 Maybridge3_003415 COc1c(Cl)scc1C(=O)Nc2cc(OC)ccc2OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L06 compound treatment 0.25 0.00858 0.42 0.252 0.00869 0.48 0.6365 0.9983 2076916 Maybridge3_003416 Cc1n[nH]cc1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L07 compound treatment 0.258 0.0166 0.82 0.254 0.0107 0.59 0.9934 0.9866 2076917 Maybridge3_003417 COc1c(Br)scc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L08 compound treatment 0.254 0.0126 0.62 0.253 0.00969 0.53 0.815 0.997 2076918 Maybridge3_003418 N#Cc1cccc(CSc2ccccn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L09 compound treatment 0.251 0.00958 0.47 0.249 0.00569 0.31 0.5551 0.9796 2076919 Maybridge3_003419 Clc1ccc(cc1)S(=O)(=O)/C(=C/NCc2ccco2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L10 compound treatment 0.312 0.0706 3.49 0.298 0.0547 3.0 4.5849 0.9972 2076920 Maybridge3_003420 CSC(=C1C(=O)c2ccccc2N(C)S1(=O)=O)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L11 compound treatment 0.265 0.0236 1.16 0.267 0.0237 1.3 1.7418 0.9985 1354457 Maybridge3_003421 COCc1cc(=O)n2nc(cc2[nH]1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L12 compound treatment 0.248 0.00658 0.32 0.25 0.00669 0.37 0.4891 0.9982 1541841 Maybridge3_003422 CSc1sc(C(=O)NC(C)C)c(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L13 compound treatment 0.295 0.0536 2.65 0.293 0.0497 2.72 3.7974 0.9999 1469401 Maybridge3_003423 COc1cccc(c1)C(=O)C(=C(SC)SC)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L14 compound treatment 0.25 0.00858 0.42 0.253 0.00969 0.53 0.6753 0.9937 2076921 Maybridge3_003424 CS(=O)(=O)/C(=C/Nc1cccnc1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L15 compound treatment 0.258 0.0166 0.82 0.256 0.0127 0.7 1.0709 0.9967 2076922 Maybridge3_003425 O=C(C1CC1)C(=C2SCCCS2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L16 compound treatment 0.25 0.00858 0.42 0.255 0.0117 0.64 0.7528 0.9798 2076923 Maybridge3_003426 CCCS(=O)(=O)c1cnc2cc(nn2c1N)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L17 compound treatment 0.261 0.0196 0.97 0.262 0.0187 1.02 1.4083 0.9996 2076924 Maybridge3_003427 CSc1c(C#N)c(nn1C)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L18 compound treatment 0.302 0.0606 2.99 0.321 0.0777 4.26 5.1274 0.985 2076925 Maybridge3_003428 COc1ccc(cc1)c2nc(N)nc(SC)c2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L19 compound treatment 0.267 0.0256 1.26 0.273 0.0297 1.63 2.0443 0.9921 2076926 Maybridge3_003429 CSC(=C(C#N)C(=O)C1CC1)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L20 compound treatment 0.256 0.0146 0.72 0.254 0.0107 0.59 0.9236 0.9948 2076927 Maybridge3_003430 ONC(=O)CS(=O)(=O)c1ccc(Cl)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L21 compound treatment 0.254 0.0126 0.62 0.258 0.0147 0.81 1.0088 0.9918 2076928 Maybridge3_003431 CSc1nc(SC)c(C#N)c(n1)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L22 compound treatment 0.25 0.00858 0.42 0.247 0.00369 0.2 0.4427 0.9428 1666779 Maybridge3_003432 CCOC(=O)c1cnc2n(C)nc(C)c2c1Sc3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L23 mock treatment 0.255 0.0136 0.67 0.254 0.0107 0.59 0.8887 0.9977 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 L24 mock treatment 0.244 0.00258 0.13 0.246 0.00269 0.15 0.1944 0.9974 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M01 compound treatment 0.242 5.81E-4 0.03 0.246 0.00269 0.15 0.1246 0.8291 1251602 Maybridge3_003433 CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M02 compound treatment 0.255 0.0136 0.67 0.254 0.0107 0.59 0.8887 0.9977 1642343 Maybridge3_003434 OCCNC1(CC=C)CCCCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M03 compound treatment 0.25 0.00858 0.42 0.249 0.00569 0.31 0.5202 0.9887 1627244 Maybridge3_003435 COc1cccc(c1)C2C(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M04 compound treatment 0.393 0.152 7.49 0.388 0.145 7.93 10.9026 0.9996 2076929 Maybridge3_003436 COc1cc2ccccc2nn1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M05 compound treatment 0.274 0.0326 1.61 0.274 0.0307 1.68 2.3275 0.9997 1426336 Maybridge3_003437 Cc1ccc2oc(cc(=O)c2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M06 compound treatment 0.328 0.0866 4.28 0.328 0.0847 4.64 6.3067 0.9991 1353545 Maybridge3_003438 C1CCN(CC1)c2cc(nc3ccccc23)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M07 compound treatment 0.29 0.0486 2.4 0.289 0.0457 2.51 3.4677 0.9998 1008073 Maybridge3_003439 CCC(=O)C1C(=O)c2ccccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M08 compound treatment 0.248 0.00658 0.32 0.251 0.00769 0.42 0.5279 0.9917 1211791 Maybridge3_003440 COc1cc2CC(=O)NC(c3ccc(Cl)cc3Cl)c2cc1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M09 compound treatment 0.246 0.00458 0.23 0.245 0.00169 0.09 0.2255 0.9224 1208831 Maybridge3_003441 CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)C3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M10 compound treatment 0.256 0.0146 0.72 0.257 0.0137 0.75 1.0399 0.9998 1232177 Maybridge3_003442 CCCc1nc(O)cc2cc(OC)c(OC)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M11 compound treatment 0.252 0.0106 0.52 0.252 0.00869 0.48 0.7064 0.9989 1226076 Maybridge3_003443 Cc1ccc(cc1)C(=O)N2CCN(CC2)c3cccc4[nH]ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M12 compound treatment 0.259 0.0176 0.87 0.257 0.0137 0.75 1.1446 0.9974 1401804 Maybridge3_003444 CN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M13 compound treatment 0.243 0.00158 0.08 0.255 0.0117 0.64 0.5084 0.7874 1539451 Maybridge3_003445 CC(C)NC(=O)c1ccccc1c2ccccc2C(=O)NC(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M14 compound treatment 0.256 0.0146 0.72 0.256 0.0127 0.7 1.0011 0.9999 2076930 Maybridge3_003446 Oc1ccnc(SCc2cccc(C#N)c2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M15 compound treatment 0.253 0.0116 0.57 0.252 0.00869 0.48 0.7413 0.9959 2076931 Maybridge3_003447 COC(=O)COc1cc(OC)ccc1C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M16 compound treatment 0.251 0.00958 0.47 0.251 0.00769 0.42 0.6327 0.9983 1007288 Maybridge3_003448 CCOC(=O)C(=C1CCCC1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M17 compound treatment 0.254 0.0126 0.62 0.26 0.0167 0.92 1.0864 0.9822 1155355 Maybridge3_003449 OC(=O)c1ccnc(c1)c2cc(ccn2)C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M18 compound treatment 0.257 0.0156 0.77 0.261 0.0177 0.97 1.2299 0.9934 2076932 Maybridge3_003450 Cc1cc(NC(=O)c2ccccc2)n(n1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M19 compound treatment 0.252 0.0106 0.52 0.259 0.0157 0.86 0.9777 0.9714 2076933 Maybridge3_003451 N#Cc1ccccc1SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M20 compound treatment 0.288 0.0466 2.3 0.294 0.0507 2.78 3.5918 0.9956 1228174 Maybridge3_003452 CCCCc1c(C)[nH]c2cc(nn2c1=O)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M21 compound treatment 0.269 0.0276 1.36 0.275 0.0317 1.74 2.1917 0.9927 2076934 Maybridge3_003453 Cc1ccc(cc1)C(=O)OC2=CC(=O)c3ccccc3C2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M22 compound treatment 0.249 0.00758 0.37 0.252 0.00869 0.48 0.6016 0.9929 2076935 Maybridge3_003454 CC(C)(C)c1cc2[nH]c(cc(=O)n2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M23 mock treatment 0.252 0.0106 0.52 0.25 0.00669 0.37 0.6288 0.985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 M24 mock treatment 0.24 -0.00142 -0.07 0.244 6.9E-4 0.04 -0.0228 -0.2866 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N01 compound treatment 0.214 -0.0274 -1.35 0.24 -0.00331 -0.18 -1.0858 -0.7948 1158404 Maybridge3_003455 Cc1cc(=O)n2nc(cc2[nH]1)c3ccc(cc3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N02 compound treatment 0.251 0.00958 0.47 0.248 0.00469 0.26 0.5164 0.9589 1139757 Maybridge3_003456 COCc1cc(O)nc2n(C)nc(c3ccccc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N03 compound treatment 0.249 0.00758 0.37 0.249 0.00569 0.31 0.4853 0.9959 1253876 Maybridge3_003457 CCOC(=O)c1c[nH]c2cc(nn2c1=O)c3ccc(cc3)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N04 compound treatment 0.25 0.00858 0.42 0.247 0.00369 0.2 0.4427 0.9428 1688506 Maybridge3_003458 Clc1ccc(cc1)c2nc(CS(=O)(=O)c3ccccn3)no2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N05 compound treatment 0.298 0.0566 2.79 0.307 0.0637 3.49 4.445 0.9939 1559491 Maybridge3_003459 CC(C)(C)c1ccc(cc1)c2cc(NC(=O)c3ccccc3F)[nH]n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N06 compound treatment 0.251 0.00958 0.47 0.258 0.0147 0.81 0.9041 0.9678 1517481 Maybridge3_003460 Clc1ccc(SCc2nc(CS(=O)(=O)c3ccccn3)no2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N07 compound treatment 0.252 0.0106 0.52 0.252 0.00869 0.48 0.7064 0.9989 1063650 Maybridge3_003461 Cc1ccc(cc1)S(=O)(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N08 compound treatment 0.253 0.0116 0.57 0.257 0.0137 0.75 0.9351 0.991 2076936 Maybridge3_003462 N/C(=N\O)/c1cccc(CSc2ccccn2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N09 compound treatment 0.249 0.00758 0.37 0.247 0.00369 0.2 0.4078 0.9583 2076937 Maybridge3_003463 Cc1ncc(c(N)n1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N10 compound treatment 0.257 0.0156 0.77 0.256 0.0127 0.7 1.036 0.9987 2076938 Maybridge3_003464 CS/C(=C(/C#N)\C(=O)C1CC1)/NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N11 compound treatment 0.266 0.0246 1.21 0.271 0.0277 1.52 1.9318 0.9939 1365727 Maybridge3_003465 CCOC(=O)C1SC(C(C#N)C1(O)c2ccccc2)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N12 compound treatment 0.252 0.0106 0.52 0.253 0.00969 0.53 0.7451 1.0 1436607 Maybridge3_003466 CSc1sc(C(=O)NCC2CC2)c(c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N13 compound treatment 0.256 0.0146 0.72 0.254 0.0107 0.59 0.9236 0.9948 2076939 Maybridge3_003467 CSc1[nH]nc(c1C#N)c2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N14 compound treatment 0.248 0.00658 0.32 0.251 0.00769 0.42 0.5279 0.9917 2076940 Maybridge3_003468 CC(C)(C)S(=O)(=O)/C(=C/Nc1ncccn1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N15 compound treatment 0.253 0.0116 0.57 0.253 0.00969 0.53 0.78 0.9993 2076941 Maybridge3_003469 Cn1nc(cc1N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N16 compound treatment 0.255 0.0136 0.67 0.272 0.0287 1.57 1.5865 0.9278 2076942 Maybridge3_003470 CSc1scc(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N17 compound treatment 0.258 0.0166 0.82 0.264 0.0207 1.13 1.3811 0.9872 2076943 Maybridge3_003471 Clc1ccc(cc1)S(=O)(=O)C(=C2SCCCS2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N18 compound treatment 0.305 0.0636 3.14 0.333 0.0897 4.92 5.6974 0.9765 1525961 Maybridge3_003472 CSc1nc2cc(nn2c(N)c1S(=O)(=O)c3ccc(Cl)cc3)C4CC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N19 compound treatment 0.259 0.0176 0.87 0.271 0.0277 1.52 1.6874 0.9648 2076944 Maybridge3_003473 FC(F)(F)c1cc(N/C=C(\C#N)/S(=O)(=O)c2ccccc2)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N20 compound treatment 0.249 0.00758 0.37 0.246 0.00269 0.15 0.369 0.9171 1729009 Maybridge3_003474 CC(C)S(=O)(=O)c1cscc1NC(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N21 compound treatment 0.255 0.0136 0.67 0.252 0.00869 0.48 0.8111 0.986 2076945 Maybridge3_003475 CSc1nc(SC)c(C#N)c(n1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N22 compound treatment 0.246 0.00458 0.23 0.254 0.0107 0.59 0.5744 0.9143 1248518 Maybridge3_003476 CCOC(=O)c1cnc2n(C)nc(C)c2c1Sc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N23 mock treatment 0.251 0.00958 0.47 0.248 0.00469 0.26 0.5164 0.9589 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 N24 mock treatment 0.228 -0.0134 -0.66 0.236 -0.00731 -0.4 -0.752 -0.971 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O01 compound treatment 0.219 -0.0224 -1.11 0.213 -0.0303 -1.66 -1.958 -0.9805 1517988 Maybridge3_003477 N#Cc1cc(Oc2cccnc2)c(Oc3cccnc3)cc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O02 compound treatment 0.25 0.00858 0.42 0.249 0.00569 0.31 0.5202 0.9887 1623036 Maybridge3_003478 COc1cccc(O)c1C(=O)NCC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O03 compound treatment 0.248 0.00658 0.32 0.246 0.00269 0.15 0.3341 0.9361 1070047 Maybridge3_003479 CC1(C)NC(C(=O)O)C(C)(C)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O04 compound treatment 0.248 0.00658 0.32 0.243 -3.1E-4 -0.02 0.2178 0.6692 1152629 Maybridge3_003480 OC(=O)CCc1ccc(OCc2ccccc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O05 compound treatment 0.249 0.00758 0.37 0.255 0.0117 0.64 0.7179 0.9672 2076946 Maybridge3_003481 COCn1nnc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O06 compound treatment 0.347 0.106 5.21 0.349 0.106 5.79 7.7843 0.9986 1348155 Maybridge3_003482 CC(=O)Nc1sc-2c(CCc3ccccc23)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O07 compound treatment 0.248 0.00658 0.32 0.251 0.00769 0.42 0.5279 0.9917 1038934 Maybridge3_003483 Cc1cc(C)c(CN)cc1CN 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O08 compound treatment 0.59 0.349 17.21 0.551 0.308 16.87 24.101 0.9999 2076947 Maybridge3_003484 CC/1=NOC(=O)\C1=C/c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O09 compound treatment 0.249 0.00758 0.37 0.246 0.00269 0.15 0.369 0.9171 2076948 Maybridge3_003485 CC/1(C)C2CCC(C2)\C1=C\CC(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O10 compound treatment 0.246 0.00458 0.23 0.247 0.00369 0.2 0.303 0.9984 1469772 Maybridge3_003486 COc1ccc(cc1OC)c2cn[nH]c2N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O11 compound treatment 0.247 0.00558 0.28 0.245 0.00169 0.09 0.2604 0.8956 2076949 Maybridge3_003487 FC(F)(F)c1cccc(c1)S(=O)(=O)NC2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O12 compound treatment 0.309 0.0676 3.34 0.294 0.0507 2.78 4.325 0.9959 2076950 Maybridge3_003488 CC(C)(C)c1ccc(cc1)C(=O)c2ncc[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O13 compound treatment 0.612 0.371 18.3 0.677 0.434 23.78 29.7543 0.9916 1694243 Maybridge3_003489 CN(CCO)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)CCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O14 compound treatment 0.24 -0.00142 -0.07 0.239 -0.00431 -0.24 -0.2167 -0.879 2076951 Maybridge3_003490 CC1CN(CC(C)O1)S(=O)(=O)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O15 compound treatment 0.251 0.00958 0.47 0.252 0.00869 0.48 0.6714 1.0 1039548 Maybridge3_003491 CCC(=O)c1c[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O16 compound treatment 0.255 0.0136 0.67 0.271 0.0277 1.52 1.5477 0.9325 1365143 Maybridge3_003492 OC(=O)c1cc2ccccc2cc1OC(=O)c3cccc(Cl)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O17 compound treatment 0.263 0.0216 1.07 0.26 0.0167 0.92 1.4006 0.9971 1024058 Maybridge3_003493 Clc1ccccc1c2nc3ccccc3s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O18 compound treatment 0.247 0.00558 0.28 0.246 0.00269 0.15 0.2991 0.9571 2076952 Maybridge3_003494 Cc1cc2[nH]c(cc(=O)n2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O19 compound treatment 0.245 0.00358 0.18 0.243 -3.1E-4 -0.02 0.113 0.6361 2076953 Maybridge3_003495 NC(=O)c1ccccc1SCc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O20 compound treatment 0.246 0.00458 0.23 0.245 0.00169 0.09 0.2255 0.9224 1469249 Maybridge3_003496 Clc1ccc(cc1)S(=O)(=O)CC(N2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O21 compound treatment 0.251 0.00958 0.47 0.245 0.00169 0.09 0.4 0.8298 2076954 Maybridge3_003497 CN(C)C(=O)Oc1cc(=O)oc2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O22 compound treatment 0.252 0.0106 0.52 0.251 0.00769 0.42 0.6676 0.9943 2076955 Maybridge3_003498 Cc1cc(=O)n2nc(cc2[nH]1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O23 mock treatment 0.248 0.00658 0.32 0.242 -0.00131 -0.07 0.179 0.5378 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 O24 mock treatment 0.212 -0.0294 -1.45 0.225 -0.0183 -1.0 -1.7372 -0.9837 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P01 compound treatment 0.195 -0.0464 -2.29 0.194 -0.0493 -2.7 -3.5327 -0.9966 2076956 Maybridge3_003499 CC(C)(C)c1ccc(cc1)C(=O)/C=C/2\NC(=O)CS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P02 compound treatment 0.258 0.0166 0.82 0.258 0.0147 0.81 1.1485 1.0 2076957 Maybridge3_003500 COc1ccc(/C=C(\C#N)/S(=O)(=O)c2ccccc2Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P03 compound treatment 0.215 -0.0264 -1.3 0.218 -0.0253 -1.39 -1.9038 -0.9995 1706986 Maybridge3_003501 CCOC(=O)c1c[nH]c2cc(nn2c1=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P04 compound treatment 0.232 -0.00942 -0.47 0.219 -0.0243 -1.33 -1.2714 -0.9006 2076958 Maybridge3_003502 N#CCSc1nc2ccccc2o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P05 compound treatment 0.235 -0.00642 -0.32 0.24 -0.00331 -0.18 -0.3525 -0.965 2076959 Maybridge3_003503 CC(=O)Nc1cc(C)nn1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P06 compound treatment 0.226 -0.0154 -0.76 0.221 -0.0223 -1.22 -1.4034 -0.974 2076960 Maybridge3_003504 CN1c2ccccc2C(=O)/C(=C\Nc3ccc(F)cc3F)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P07 compound treatment 0.238 -0.00342 -0.17 0.236 -0.00731 -0.4 -0.4028 -0.9262 2076961 Maybridge3_003505 COc1c(Br)scc1C(=O)Nc2cc(OC)c(OC)c(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P08 compound treatment 0.218 -0.0234 -1.16 0.223 -0.0203 -1.11 -1.6052 -0.9998 2076962 Maybridge3_003506 CC1CN(CC(C)O1)C(=O)c2scc(c2C)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P09 compound treatment 0.221 -0.0204 -1.01 0.231 -0.0123 -0.67 -1.1903 -0.9809 2076963 Maybridge3_003507 Nc1ncc(c(N)n1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P10 compound treatment 0.23 -0.0114 -0.56 0.221 -0.0223 -1.22 -1.2637 -0.9382 1330815 Maybridge3_003508 COc1c(Br)scc1C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P11 compound treatment 0.218 -0.0234 -1.16 0.22 -0.0233 -1.28 -1.7215 -0.9988 2076964 Maybridge3_003509 Cc1cc(=O)n2nc(cc2[nH]1)C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P12 compound treatment 0.234 -0.00742 -0.37 0.215 -0.0283 -1.55 -1.3567 -0.8506 1689948 Maybridge3_003510 CSc1sc(C(=O)N2CCCCC2)c(c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P13 compound treatment 0.218 -0.0234 -1.16 0.229 -0.0143 -0.78 -1.3726 -0.9821 2076965 Maybridge3_003511 CSc1c(C#N)c(nn1C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P14 compound treatment 0.215 -0.0264 -1.3 0.229 -0.0143 -0.78 -1.4773 -0.9704 2076966 Maybridge3_003512 Cc1cc(C)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P15 compound treatment 0.24 -0.00142 -0.07 0.205 -0.0383 -2.1 -1.5349 -0.7303 1323409 Maybridge3_003513 Cc1cc(O)nc2n(C)nc(c3cccs3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P16 compound treatment 0.222 -0.0194 -0.96 0.218 -0.0253 -1.39 -1.6594 -0.9837 1628492 Maybridge3_003514 Cc1cc2ncc(c(C)n2n1)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P17 compound treatment 0.221 -0.0204 -1.01 0.209 -0.0343 -1.88 -2.0432 -0.9573 2076967 Maybridge3_003515 CSc1noc(c1C#N)c2ccc(cc2)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P18 compound treatment 0.217 -0.0244 -1.21 0.22 -0.0233 -1.28 -1.7564 -0.9996 2076968 Maybridge3_003516 CSc1c(C#N)c(N)nn1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P19 compound treatment 0.233 -0.00842 -0.42 0.244 6.9E-4 0.04 -0.2672 -0.6402 2076969 Maybridge3_003517 CS/C(=C(/C#N)\S(=O)(=O)c1ccc(Cl)cc1)/NCc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P20 compound treatment 0.238 -0.00342 -0.17 0.214 -0.0293 -1.61 -1.2558 -0.7771 2076970 Maybridge3_003518 CC(C)(C)S(=O)(=O)/C(=C/c1ccsc1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P21 compound treatment 0.221 -0.0204 -1.01 0.225 -0.0183 -1.0 -1.4229 -1.0 2076971 Maybridge3_003519 Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)no1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P22 compound treatment 0.236 -0.00542 -0.27 0.233 -0.0103 -0.57 -0.589 -0.9417 2076972 Maybridge3_003520 CSc1nn2c(c(C#N)c(SC)nc2c1C#N)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P23 mock treatment 0.22 -0.0214 -1.06 0.207 -0.0363 -1.99 -2.1557 -0.9562 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1440 P24 mock treatment 0.198 -0.0434 -2.14 0.212 -0.0313 -1.72 -2.73 -0.9939 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A01 compound treatment 0.192 -0.049 -2.42 0.193 -0.0449 -2.46 -3.453 -1.0 1233192 Maybridge3_003521 Cc1nccc(n1)c2cccc(NC(=O)c3ccccc3Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A02 compound treatment 0.213 -0.028 -1.38 0.198 -0.0399 -2.19 -2.5258 -0.9756 1166051 Maybridge3_003522 CCOC(=O)CS(=O)c1sc(C(=O)OCC)c2CCCC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A03 compound treatment 0.228 -0.013 -0.64 0.227 -0.0109 -0.6 -0.8777 -0.9993 2076973 Maybridge3_003523 Cc1nccc(n1)c2ccc(Br)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A04 compound treatment 0.202 -0.039 -1.93 0.216 -0.0219 -1.2 -2.2121 -0.9741 2076974 Maybridge3_003524 CSc1sc(c2ccn(n2)C(=O)C)c3CC(C)(C)CC(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A05 compound treatment 0.202 -0.039 -1.93 0.205 -0.0329 -1.8 -2.6386 -0.9995 2076975 Maybridge3_003525 O=S(=O)(CCS(=O)(=O)c1ccccc1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A06 compound treatment 0.218 -0.023 -1.14 0.207 -0.0309 -1.69 -2.0023 -0.9812 2076976 Maybridge3_003526 CCOC(=O)c1sc(SC)c(C(C)O)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A07 compound treatment 0.213 -0.028 -1.38 0.217 -0.0209 -1.15 -1.7892 -0.9956 1188675 Maybridge3_003527 COC(=O)C1=C(CSC1)Nc2ccccc2NS(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A08 compound treatment 0.212 -0.029 -1.43 0.217 -0.0209 -1.15 -1.8241 -0.9938 2076977 Maybridge3_003528 CSc1sc(C(=O)N)c(C)c1C=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A09 compound treatment 0.214 -0.027 -1.34 0.226 -0.0119 -0.65 -1.4054 -0.9458 2076978 Maybridge3_003529 CCCS(=O)(=O)c1cnc(SC)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A10 compound treatment 0.231 -0.01 -0.5 0.24 0.0021 0.12 -0.269 -0.5287 2076979 Maybridge3_003530 Clc1ccc(cc1)S(=O)(=O)CCNCc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A11 compound treatment 0.223 -0.018 -0.89 0.227 -0.0109 -0.6 -1.0523 -0.9812 2076980 Maybridge3_003531 Cc1nc(cs1)c2ccc(s2)/C(=N/O)/N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A12 compound treatment 0.236 -0.00503 -0.25 0.247 0.0091 0.5 0.177 0.3175 2076981 Maybridge3_003532 Cn1nc(cc1C(F)(F)F)c2ccc(s2)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A13 compound treatment 0.229 -0.012 -0.59 0.226 -0.0119 -0.65 -0.8816 -0.9989 1126341 Maybridge3_003533 COC(=O)c1cnc2n(C)nc(C)c2c1OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A14 compound treatment 0.212 -0.029 -1.43 0.212 -0.0259 -1.42 -2.018 -1.0 2076982 Maybridge3_003534 COC(=O)C1=C(CSC1)Nc2ccc(OC(F)(F)F)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A15 compound treatment 0.206 -0.035 -1.73 0.22 -0.0179 -0.98 -1.9173 -0.9639 1224748 Maybridge3_003535 COC(=O)c1sc(N2CCCC2)c(c1N)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A16 compound treatment 0.209 -0.032 -1.58 0.224 -0.0139 -0.76 -1.6575 -0.9439 3178044 Maybridge3_003536 SC(=S)N1CCCCC1.C1CCNCC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A17 compound treatment 0.214 -0.027 -1.34 0.227 -0.0109 -0.6 -1.3666 -0.9343 2076983 Maybridge3_003537 Cn1nc(c(C#N)c1S(=O)(=O)C)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A18 compound treatment 0.212 -0.029 -1.43 0.22 -0.0179 -0.98 -1.7078 -0.9829 2076984 Maybridge3_003538 CC1(C)CC(=O)C=C(SCC(=O)Nc2ccc(Cl)cc2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A19 compound treatment 0.211 -0.03 -1.48 0.224 -0.0139 -0.76 -1.5877 -0.9521 1454332 Maybridge3_003539 Clc1ccc(cc1)c2nc(CS(=O)(=O)Cc3ccco3)no2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A20 compound treatment 0.204 -0.037 -1.83 0.216 -0.0219 -1.2 -2.1422 -0.9792 2076985 Maybridge3_003540 CSc1noc(c1C#N)c2ccc(s2)S(=O)(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A21 compound treatment 0.234 -0.00703 -0.35 0.226 -0.0119 -0.65 -0.707 -0.9565 2076986 Maybridge3_003541 CC(C)Sc1sc(C#N)c2CC(C)(C)CC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A22 compound treatment 0.201 -0.04 -1.98 0.227 -0.0109 -0.6 -1.8205 -0.8815 2076987 Maybridge3_003542 c1csc(c1)c2nnco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A23 mock treatment 0.206 -0.035 -1.73 0.208 -0.0299 -1.64 -2.3826 -0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 A24 mock treatment 0.18 -0.061 -3.01 0.187 -0.0509 -2.79 -4.1046 -0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B01 compound treatment 0.231 -0.01 -0.5 0.233 -0.0049 -0.27 -0.5404 -0.9587 2076988 Maybridge3_003543 CN1c2ccsc2C(=O)/C(=C\Nc3ccncc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B02 compound treatment 0.248 0.00697 0.34 0.25 0.0121 0.66 0.7123 0.9532 2076989 Maybridge3_003544 CCOC(=O)c1sc(C#N)c2C(=O)CC(C)(C)Cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B03 compound treatment 0.248 0.00697 0.34 0.25 0.0121 0.66 0.7123 0.9532 2076990 Maybridge3_003545 FC(F)(F)c1cc(NS(=O)(=O)c2ccccn2)cc(c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B04 compound treatment 0.247 0.00597 0.29 0.252 0.0141 0.77 0.755 0.9125 2076991 Maybridge3_003546 Cc1ccc(cc1)S(=O)(=NC(=O)CSc2ccc(cn2)C(F)(F)F)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B05 compound treatment 0.257 0.016 0.79 0.258 0.0201 1.1 1.3368 0.9865 2076992 Maybridge3_003547 Cc1csc2sc(c(C)c12)c3ccnc(SCC(=O)NCC=C)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B06 compound treatment 0.251 0.00997 0.49 0.25 0.0121 0.66 0.8171 0.9892 2076993 Maybridge3_003548 CS(=O)(=O)C(=C1SCCCCS1)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B07 compound treatment 0.243 0.00197 0.1 0.248 0.0101 0.55 0.4602 0.8186 2076994 Maybridge3_003549 CS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B08 compound treatment 0.256 0.015 0.74 0.258 0.0201 1.1 1.3019 0.9811 2076995 Maybridge3_003550 FC(F)(F)c1ccnc(c1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B09 compound treatment 0.346 0.105 5.18 0.333 0.0951 5.21 7.3522 1.0 2076996 Maybridge3_003551 CN(C)n1cccc1/C=N/C(=C(\N)/C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B10 compound treatment 0.282 0.041 2.02 0.256 0.0181 0.99 2.1322 0.9463 2076997 Maybridge3_003552 Fc1ccc(NC(=O)c2nccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B11 compound treatment 0.247 0.00597 0.29 0.251 0.0131 0.72 0.7162 0.9225 2076998 Maybridge3_003553 FC(F)(F)c1ccc(nc1)S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B12 compound treatment 0.253 0.012 0.59 0.251 0.0131 0.72 0.9257 0.9953 2076999 Maybridge3_003554 Cc1c(N)scc1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B13 compound treatment 0.248 0.00697 0.34 0.258 0.0201 1.1 1.0225 0.8857 1357350 Maybridge3_003555 O=S(=O)(N1CCCC1)c2ccc(s2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B14 compound treatment 0.248 0.00697 0.34 0.253 0.0151 0.83 0.8287 0.9243 2077000 Maybridge3_003556 CS(=O)(=O)/C(=C/N=S(=O)(C)c1ccsc1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B15 compound treatment 0.253 0.012 0.59 0.254 0.0161 0.88 1.042 0.9809 2077001 Maybridge3_003557 Cn1c(CSc2cccs2)nnc1SCC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B16 compound treatment 0.267 0.026 1.28 0.269 0.0311 1.71 2.1124 0.9901 2077002 Maybridge3_003558 CS(=O)(=O)/C(=C/c1ccccc1OCc2c(Cl)cccc2Cl)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B17 compound treatment 0.261 0.02 0.99 0.259 0.0211 1.16 1.5152 0.9968 2077003 Maybridge3_003559 Cn1c(SCCS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B18 compound treatment 0.31 0.069 3.41 0.332 0.0941 5.16 6.0564 0.9797 2077004 Maybridge3_003560 Clc1ccc(NC(=O)c2cccnc2SCCS(=O)(=O)c3ccccc3)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B19 compound treatment 0.251 0.00997 0.49 0.253 0.0151 0.83 0.9334 0.9691 2077005 Maybridge3_003561 COC(=O)c1sc(SC)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B20 compound treatment 0.252 0.011 0.54 0.251 0.0131 0.72 0.8908 0.9903 1676929 Maybridge3_003562 CN(C)C(=O)c1cccnc1SCCS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B21 compound treatment 0.25 0.00897 0.44 0.252 0.0141 0.77 0.8597 0.965 2077006 Maybridge3_003563 COC(=O)C1=C(CSC1)Nc2cccc(c2)c3nn(C)cc3Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B22 compound treatment 0.246 0.00497 0.25 0.249 0.0111 0.61 0.6037 0.9201 2077007 Maybridge3_003564 FC(F)(F)c1ccc(nc1)S(=O)(=O)Cc2ccc(o2)C(=O)Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B23 mock treatment 0.247 0.00597 0.29 0.253 0.0151 0.83 0.7937 0.9032 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 B24 mock treatment 0.216 -0.025 -1.24 0.216 -0.0219 -1.2 -1.7232 -0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C01 compound treatment 0.213 -0.028 -1.38 0.208 -0.0299 -1.64 -2.1381 -0.9965 2077008 Maybridge3_003565 Cc1ccc(CS(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C02 compound treatment 0.228 -0.013 -0.64 0.24 0.0021 0.12 -0.3737 -0.5715 2077009 Maybridge3_003566 CS(=O)c1sc(C#N)c2CCCC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C03 compound treatment 0.251 0.00997 0.49 0.244 0.0061 0.33 0.5845 0.9823 2077010 Maybridge3_003567 Cc1cc(n2nc(cc2n1)c3cccs3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C04 compound treatment 0.243 0.00197 0.1 0.246 0.0081 0.44 0.3827 0.8418 2077011 Maybridge3_003568 CCOC(=O)c1sc2sc(C(=O)OCC)c(c3ccco3)c2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C05 compound treatment 0.236 -0.00503 -0.25 0.24 0.0021 0.12 -0.0944 -0.3445 2077012 Maybridge3_003569 Cc1cc2nc(cc(C)n2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C06 compound treatment 0.247 0.00597 0.29 0.245 0.0071 0.39 0.4836 0.9905 1689057 Maybridge3_003570 CSc1sc(C(=O)Oc2ccccc2)c3CC(C)(C)CC(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C07 compound treatment 0.24 -0.00103 -0.05 0.241 0.0031 0.17 0.0841 0.4737 2077013 Maybridge3_003571 CCS(=O)c1scc(c1C#N)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C08 compound treatment 0.25 0.00897 0.44 0.25 0.0121 0.66 0.7822 0.9807 2077014 Maybridge3_003572 Clc1ccc(NC=C2C(=O)CC(CC2=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C09 compound treatment 0.24 -0.00103 -0.05 0.246 0.0081 0.44 0.2779 0.6217 2077015 Maybridge3_003573 CC(C)(C)S(=O)(=O)/C(=C/NN1CCCCC1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C10 compound treatment 0.307 0.066 3.26 0.299 0.0611 3.35 4.6723 0.9999 1642259 Maybridge3_003574 CS(=O)(=O)c1sc(C(=O)Nc2ccc(Cl)cc2)c3CCC=Cc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C11 compound treatment 0.24 -0.00103 -0.05 0.239 0.0011 0.06 0.0065 0.0826 2077016 Maybridge3_003575 Cc1cccc(c1)c2ncc(c(N)n2)S(=O)(=O)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C12 compound treatment 0.244 0.00297 0.15 0.244 0.0061 0.33 0.34 0.9313 1551038 Maybridge3_003576 CC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C13 compound treatment 0.286 0.045 2.22 0.284 0.0461 2.53 3.3574 0.9979 1332321 Maybridge3_003577 COc1c(cnc2n(C)nc(C)c12)C(=O)Nc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C14 compound treatment 0.24 -0.00103 -0.05 0.241 0.0031 0.17 0.0841 0.4737 2077017 Maybridge3_003578 CCCCS(=O)c1sc(C(=O)OCC)c2CCCC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C15 compound treatment 0.236 -0.00503 -0.25 0.238 1.0E-4 0.01 -0.1719 -0.6913 1547710 Maybridge3_003579 CSc1c2C(=O)CC(C)(C)Cc2nc3cc(nn13)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C16 compound treatment 0.247 0.00597 0.29 0.241 0.0031 0.17 0.3285 0.9659 2077018 Maybridge3_003580 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C17 compound treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 2077019 Maybridge3_003581 Fc1cccc(Cl)c1/C=C(\C#N)/S(=O)(=O)Cc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C18 compound treatment 0.255 0.014 0.69 0.253 0.0151 0.83 1.0731 0.9959 2077020 Maybridge3_003582 CC1(C)CC(=O)C=C(SCc2cccc(Cl)c2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C19 compound treatment 0.24 -0.00103 -0.05 0.237 -9.0E-4 -0.05 -0.071 -0.9999 2077021 Maybridge3_003583 COC(=O)c1cscc1OC(=O)c2ccc(cc2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C20 compound treatment 0.239 -0.00203 -0.1 0.237 -9.0E-4 -0.05 -0.1059 -0.9464 1547021 Maybridge3_003584 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NCC2CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C21 compound treatment 0.238 -0.00303 -0.15 0.238 1.0E-4 0.01 -0.1021 -0.6808 2077022 Maybridge3_003585 COC(=O)c1sccc1N(C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C22 compound treatment 0.237 -0.00403 -0.2 0.237 -9.0E-4 -0.05 -0.1758 -0.8564 1269871 Maybridge3_003586 CSc1sc(C(=O)N2CCOCC2)c-3c1S(=O)(=O)N(C)c4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C23 mock treatment 0.236 -0.00503 -0.25 0.238 1.0E-4 0.01 -0.1719 -0.6913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 C24 mock treatment 0.224 -0.017 -0.84 0.212 -0.0259 -1.42 -1.599 -0.9688 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D01 compound treatment 0.241 -3.45E-5 0.0 0.22 -0.0179 -0.98 -0.6952 -0.7083 1701111 Maybridge3_003587 Cc1noc(C)c1S(=O)(=O)N=S(=O)(C)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D02 compound treatment 0.247 0.00597 0.29 0.239 0.0011 0.06 0.251 0.8346 2077023 Maybridge3_003588 COC(=O)c1sccc1N/C=C/2\C(=O)CCC(C2=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D03 compound treatment 0.254 0.013 0.64 0.247 0.0091 0.5 0.8055 0.9924 2077024 Maybridge3_003589 FC(F)(F)c1ccc(Sc2cccs2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D04 compound treatment 0.252 0.011 0.54 0.245 0.0071 0.39 0.6582 0.9869 2077025 Maybridge3_003590 Cc1ccc(cc1)S(=O)(=NC(=O)CSc2ccc(Cl)cc2)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D05 compound treatment 0.246 0.00497 0.25 0.247 0.0091 0.5 0.5262 0.9465 2077026 Maybridge3_003591 CCOC(=O)CSc1nccc(n1)c2sc3scc(C)c3c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D06 compound treatment 0.249 0.00797 0.39 0.247 0.0091 0.5 0.631 0.9931 2077027 Maybridge3_003592 O=S(=O)(C(=C1SCCCCS1)C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D07 compound treatment 0.315 0.074 3.65 0.294 0.0561 3.08 4.7577 0.9963 2077028 Maybridge3_003593 CN(C)n1cccc1/C=C(\C#N)/S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D08 compound treatment 0.445 0.204 10.07 0.45 0.212 11.63 15.3453 0.9974 2077029 Maybridge3_003594 Cn1nc(cc1C(F)(F)F)c2ccc(/C=N/C(=C(\N)/C#N)/C#N)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D09 compound treatment 0.244 0.00297 0.15 0.252 0.0141 0.77 0.6502 0.8264 2077030 Maybridge3_003595 Cn1c(CSc2cccs2)nnc1SCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D10 compound treatment 0.252 0.011 0.54 0.248 0.0101 0.55 0.7745 0.9999 2077031 Maybridge3_003596 O/N=C\1/CCCCC1CCS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D11 compound treatment 0.254 0.013 0.64 0.254 0.0161 0.88 1.0769 0.9876 2077032 Maybridge3_003597 Cc1csc2sc(/C=N/C(=C(\N)/C#N)/C#N)c(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D12 compound treatment 0.255 0.014 0.69 0.249 0.0111 0.61 0.918 0.9981 2077033 Maybridge3_003598 CSc1sc(c(c1C#N)c2ccccc2)c3ccnc(SCC(=O)N)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D13 compound treatment 0.245 0.00397 0.2 0.256 0.0181 0.99 0.8402 0.8306 2077034 Maybridge3_003599 COC(=O)c1sccc1NC(=O)c2cc(c(SC)s2)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D14 compound treatment 0.246 0.00497 0.25 0.243 0.0051 0.28 0.3711 0.9979 2077035 Maybridge3_003600 CS(=O)(=N/C=C(\C#N)/S(=O)(=O)c1ccc(cn1)C(F)(F)F)c2ccsc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D15 compound treatment 0.249 0.00797 0.39 0.249 0.0111 0.61 0.7085 0.9777 1408473 Maybridge3_003601 OC(=O)C1=C(CSC1)Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D16 compound treatment 0.259 0.018 0.89 0.257 0.0191 1.05 1.3678 0.9966 2077036 Maybridge3_003602 Cn1c(CSCc2nc(cs2)c3ccc(Cl)cc3)nnc1SCC(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D17 compound treatment 0.298 0.057 2.81 0.305 0.0671 3.68 4.5906 0.9912 2077037 Maybridge3_003603 CSc1sc(c(C)c1c2ccn(n2)S(=O)(=O)C)c3nc(C)cs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D18 compound treatment 0.257 0.016 0.79 0.254 0.0161 0.88 1.1817 0.9984 2077038 Maybridge3_003604 OC(=O)c1cccnc1SCCS(=O)(=O)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D19 compound treatment 0.246 0.00497 0.25 0.254 0.0161 0.88 0.7976 0.8706 2077039 Maybridge3_003605 CN1c2ccsc2C(=O)/C(=C\N=S(=O)(C)c3ccc(C)cc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D20 compound treatment 0.245 0.00397 0.2 0.244 0.0061 0.33 0.375 0.9675 2077040 Maybridge3_003606 Cc1onc(c1C(=O)/N=S/2\CCC3(C2)OCCO3)c4c(Cl)cccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D21 compound treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 1486392 Maybridge3_003607 COC(=O)C1=C(CSC1)Nc2ccc3OCCOc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D22 compound treatment 0.247 0.00597 0.29 0.249 0.0111 0.61 0.6387 0.9445 3178069 Maybridge3_003608 Cc1cc(C)c(c(C)c1)S(=O)(=O)O.CS(=N)(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D23 mock treatment 0.247 0.00597 0.29 0.246 0.0081 0.44 0.5223 0.9801 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 D24 mock treatment 0.247 0.00597 0.29 0.242 0.0041 0.22 0.3673 0.9911 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E01 compound treatment 0.241 -3.45E-5 0.0 0.235 -0.0029 -0.16 -0.1136 -0.7146 2077041 Maybridge3_003609 Clc1ccc(CS(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E02 compound treatment 0.252 0.011 0.54 0.248 0.0101 0.55 0.7745 0.9999 2077042 Maybridge3_003610 CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E03 compound treatment 0.268 0.027 1.33 0.266 0.0281 1.54 2.031 0.9974 2077043 Maybridge3_003611 O/N=C/1\C(Cn2ccnc2)CCc3ccccc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E04 compound treatment 0.251 0.00997 0.49 0.254 0.0161 0.88 0.9722 0.9619 2077044 Maybridge3_003612 CCOC(=O)CSc1sc(C(=O)OCC)c(c1C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E05 compound treatment 0.265 0.024 1.18 0.266 0.0281 1.54 1.9263 0.9915 2077045 Maybridge3_003613 Brc1csc(c1)C2SCCS2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E06 compound treatment 0.273 0.032 1.58 0.269 0.0311 1.71 2.3219 0.9993 2077046 Maybridge3_003614 COC(=O)c1cc(C(=O)N)c(SC)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E07 compound treatment 0.252 0.011 0.54 0.257 0.0191 1.05 1.1234 0.9529 2077047 Maybridge3_003615 Cc1nc(no1)c2cnn3c(C)cc(nc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E08 compound treatment 0.268 0.027 1.33 0.265 0.0271 1.49 1.9923 0.9985 2077048 Maybridge3_003616 Clc1ccccc1NC=C2C(=O)CC(CC2=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E09 compound treatment 0.245 0.00397 0.2 0.247 0.0091 0.5 0.4913 0.9166 2077049 Maybridge3_003617 FC(F)(F)c1cc(cc(c1)S(=O)(=O)/C(=C/NN2CCOCC2)/C#N)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E10 compound treatment 0.255 0.014 0.69 0.256 0.0181 0.99 1.1894 0.9842 2077050 Maybridge3_003618 Cc1csc2sc(c(C)c12)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E11 compound treatment 0.243 0.00197 0.1 0.24 0.0021 0.12 0.15 0.9964 2077051 Maybridge3_003619 CS(=O)c1scc(c1C#N)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E12 compound treatment 0.252 0.011 0.54 0.255 0.0171 0.94 1.0459 0.966 2077052 Maybridge3_003620 Nc1ncc(c(N)n1)S(=O)(=O)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E13 compound treatment 0.257 0.016 0.79 0.266 0.0281 1.54 1.6469 0.9516 1197298 Maybridge3_003621 COC(=O)c1sc(N2CCOCC2)c(C#N)c1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E14 compound treatment 0.28 0.039 1.92 0.262 0.0241 1.32 2.295 0.9832 2077053 Maybridge3_003622 Cn1nc(cc1C(F)(F)F)c2ccc(s2)c3ccn(n3)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E15 compound treatment 0.251 0.00997 0.49 0.249 0.0111 0.61 0.7783 0.9944 1119142 Maybridge3_003623 COC(=O)c1sc(N2CCCC2)c(C#N)c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E16 compound treatment 0.265 0.024 1.18 0.251 0.0131 0.72 1.3447 0.9714 2077054 Maybridge3_003624 C/C(=N\O)/c1sc2scc(C)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E17 compound treatment 0.26 0.019 0.94 0.255 0.0171 0.94 1.3252 1.0 2077055 Maybridge3_003625 Clc1ccc(/C=C(\C#N)/S(=O)(=O)Cc2ccco2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E18 compound treatment 0.256 0.015 0.74 0.26 0.0221 1.21 1.3794 0.9719 2077056 Maybridge3_003626 CC1(C)CC(=O)C=C(SCC(=O)Nc2ccccc2Cl)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E19 compound treatment 0.247 0.00597 0.29 0.25 0.0121 0.66 0.6774 0.9332 1653018 Maybridge3_003627 O=S(=O)(Cc1ccco1)Cc2nc(cs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E20 compound treatment 0.252 0.011 0.54 0.248 0.0101 0.55 0.7745 0.9999 1132451 Maybridge3_003628 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E21 compound treatment 0.258 0.017 0.84 0.255 0.0171 0.94 1.2554 0.9984 1577227 Maybridge3_003629 CCOC(=O)c1sc(SC)c(c1N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E22 compound treatment 0.244 0.00297 0.15 0.251 0.0131 0.72 0.6114 0.8341 1580137 Maybridge3_003630 CSc1sc(C(=O)N(C)C)c-2c1S(=O)(=O)N(C)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E23 mock treatment 0.246 0.00497 0.25 0.244 0.0061 0.33 0.4099 0.9884 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 E24 mock treatment 0.238 -0.00303 -0.15 0.242 0.0041 0.22 0.053 0.1962 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F01 compound treatment 0.248 0.00697 0.34 0.241 0.0031 0.17 0.3634 0.9472 1117689 Maybridge3_003631 CN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F02 compound treatment 0.25 0.00897 0.44 0.249 0.0111 0.61 0.7434 0.9878 2077057 Maybridge3_003632 CCOC(=O)c1c(C)c(C)sc1N/C=C/2\C(=O)CCC(C2=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F03 compound treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 2077058 Maybridge3_003633 Cc1nn(C)c2nc(cc(C)c12)n3nc(cc3N)c4cccc(c4)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F04 compound treatment 0.257 0.016 0.79 0.255 0.0171 0.94 1.2205 0.9963 2077059 Maybridge3_003634 CC1(C)CC(=O)c2c(SCCO)sc(C#N)c2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F05 compound treatment 0.252 0.011 0.54 0.251 0.0131 0.72 0.8908 0.9903 2077060 Maybridge3_003635 CN1c2sc(C)c(C)c2C(=O)/C(=C\Nc3cccnc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F06 compound treatment 0.285 0.044 2.17 0.286 0.0481 2.64 3.4 0.9953 2077061 Maybridge3_003636 Brc1ccc(s1)c2nc3ccccc3[nH]c2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F07 compound treatment 0.256 0.015 0.74 0.259 0.0211 1.16 1.3406 0.9766 1548838 Maybridge3_003637 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)c3ccccc3Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F08 compound treatment 0.265 0.024 1.18 0.266 0.0281 1.54 1.9263 0.9915 1688595 Maybridge3_003638 Cc1nn(C)c2ncc(C(=O)N)c(Oc3ccc(Cl)cc3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F09 compound treatment 0.257 0.016 0.79 0.252 0.0141 0.77 1.1041 1.0 2077062 Maybridge3_003639 FC(F)(F)Oc1ccc(SCC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F10 compound treatment 0.252 0.011 0.54 0.255 0.0171 0.94 1.0459 0.966 2077063 Maybridge3_003640 Cc1ccc(cc1)S(=O)(=O)N=S(=O)(C)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F11 compound treatment 0.257 0.016 0.79 0.251 0.0131 0.72 1.0654 0.9989 2077064 Maybridge3_003641 Cc1nn(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F12 compound treatment 0.254 0.013 0.64 0.254 0.0161 0.88 1.0769 0.9876 1520307 Maybridge3_003642 Cn1ccnc1SCCS(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F13 compound treatment 0.258 0.017 0.84 0.26 0.0221 1.21 1.4492 0.9838 2077065 Maybridge3_003643 CCOC(=O)c1c(C)c(C)sc1NC(=O)c2cc(c(SC)s2)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F14 compound treatment 0.291 0.05 2.47 0.287 0.0491 2.69 3.6483 0.9991 2077066 Maybridge3_003644 Clc1ccccc1SCc2cccc(c2)C(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F15 compound treatment 0.259 0.018 0.89 0.254 0.0161 0.88 1.2515 1.0 2077067 Maybridge3_003645 CS(=O)(=O)c1cc2ccccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F16 compound treatment 0.259 0.018 0.89 0.256 0.0181 0.99 1.3291 0.9984 2077068 Maybridge3_003646 CCOC(=O)CSc1c(C)[nH]c2ccccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F17 compound treatment 0.294 0.053 2.62 0.272 0.0341 1.87 3.1715 0.9865 2077069 Maybridge3_003647 CSc1sc(Cl)c2CCCC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F18 compound treatment 0.265 0.024 1.18 0.256 0.0181 0.99 1.5386 0.9962 1445303 Maybridge3_003648 Nc1cc(Cl)ccc1C(=O)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F19 compound treatment 0.253 0.012 0.59 0.261 0.0231 1.27 1.3134 0.9398 2077070 Maybridge3_003649 Clc1ccccc1NC=C2C(=O)CC(CC2=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F20 compound treatment 0.254 0.013 0.64 0.254 0.0161 0.88 1.0769 0.9876 1657541 Maybridge3_003650 COC(=O)c1cnc(S(=O)CC#N)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F21 compound treatment 0.3 0.059 2.91 0.313 0.0751 4.12 4.9706 0.9856 2077071 Maybridge3_003651 Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc2ccc3OCCOc3c2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F22 compound treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 1734009 Maybridge3_003652 OC(=O)C1SCCN1C(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F23 mock treatment 0.25 0.00897 0.44 0.254 0.0161 0.88 0.9373 0.9491 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 F24 mock treatment 0.247 0.00597 0.29 0.223 -0.0149 -0.82 -0.3694 -0.4253 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G01 compound treatment 0.246 0.00497 0.25 0.234 -0.0039 -0.21 0.0222 0.0682 2077072 Maybridge3_003653 CN(C)c1ccc(/C=C(\C#N)/S(=O)(=O)c2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G02 compound treatment 0.256 0.015 0.74 0.258 0.0201 1.1 1.3019 0.9811 2077073 Maybridge3_003654 CCOC(=O)c1sc(SC)c2C=CCCc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G03 compound treatment 0.249 0.00797 0.39 0.241 0.0031 0.17 0.3983 0.9296 2077074 Maybridge3_003655 Fc1cccc(Cl)c1CS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G04 compound treatment 0.283 0.042 2.07 0.279 0.0411 2.25 3.0588 0.9991 2077075 Maybridge3_003656 Nc1c(C#N)sc2sc(C#N)c(c3cccs3)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G05 compound treatment 0.253 0.012 0.59 0.247 0.0091 0.5 0.7706 0.9965 1582187 Maybridge3_003657 COC(=O)C1=C(CSC1)Nc2ccccc2NC(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G06 compound treatment 0.252 0.011 0.54 0.25 0.0121 0.66 0.852 0.9949 2077076 Maybridge3_003658 CCOC(=O)c1sc2sc(c(C)c2c1C)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G07 compound treatment 0.254 0.013 0.64 0.246 0.0081 0.44 0.7668 0.984 2077077 Maybridge3_003659 Clc1cc(Cl)cc(OC(=O)c2ccc(s2)c3ccccn3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G08 compound treatment 0.309 0.068 3.36 0.313 0.0751 4.12 5.2849 0.9948 2077078 Maybridge3_003660 N/C(=C(/NCc1ccccc1Sc2ccc(Cl)cc2)\C#N)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G09 compound treatment 0.249 0.00797 0.39 0.245 0.0071 0.39 0.5534 1.0 2077079 Maybridge3_003661 CC(C)S(=O)(=O)/C(=C/NN1CCOCC1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G10 compound treatment 0.262 0.021 1.04 0.262 0.0241 1.32 1.6664 0.9927 1697342 Maybridge3_003662 CS(=O)(=O)c1sc(C(=O)Sc2ccccc2)c3CCC=Cc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G11 compound treatment 0.248 0.00697 0.34 0.249 0.0111 0.61 0.6736 0.9635 2077080 Maybridge3_003663 CSc1scc(Cl)c1S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G12 compound treatment 0.262 0.021 1.04 0.243 0.0051 0.28 0.9298 0.867 2077081 Maybridge3_003664 CSc1ncc(c(N)n1)S(=O)(=O)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G13 compound treatment 0.25 0.00897 0.44 0.261 0.0231 1.27 1.2087 0.9008 2077082 Maybridge3_003665 COC(=O)c1sc(N(C)C)c(C#N)c1c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G14 compound treatment 0.287 0.046 2.27 0.27 0.0321 1.76 2.8496 0.9921 2077083 Maybridge3_003666 CC(=O)n1ccc(n1)c2ccc(s2)c3cc(n(C)n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G15 compound treatment 0.247 0.00597 0.29 0.249 0.0111 0.61 0.6387 0.9445 1667785 Maybridge3_003667 CSc1nc2cc(nn2c(N)c1S(=O)(=O)C(C)C)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G16 compound treatment 0.264 0.023 1.13 0.255 0.0171 0.94 1.4649 0.9955 2077084 Maybridge3_003668 CSC(=CC(=O)c1sc2scc(C)c2c1C)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G17 compound treatment 0.299 0.058 2.86 0.296 0.0581 3.19 4.2766 0.9986 2077085 Maybridge3_003669 Clc1cccc(N/C=C(\C#N)/S(=O)(=O)Cc2ccco2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G18 compound treatment 0.25 0.00897 0.44 0.253 0.0151 0.83 0.8985 0.957 2077086 Maybridge3_003670 CC1(C)CC(=O)C=C(SCCS(=O)(=O)c2ccccc2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G19 compound treatment 0.247 0.00597 0.29 0.248 0.0101 0.55 0.5999 0.9564 1536000 Maybridge3_003671 CCOC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G20 compound treatment 0.247 0.00597 0.29 0.245 0.0071 0.39 0.4836 0.9905 1263850 Maybridge3_003672 CSc1nnc(c2ccc(s2)S(=O)(=O)N3CCCCC3)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G21 compound treatment 0.242 9.66E-4 0.05 0.248 0.0101 0.55 0.4253 0.7652 2077087 Maybridge3_003673 COC(=O)c1cc(c(SC)s1)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G22 compound treatment 0.252 0.011 0.54 0.25 0.0121 0.66 0.852 0.9949 2077088 Maybridge3_003674 CSc1nccc(n1)c2ccc(s2)S(=O)(=O)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G23 mock treatment 0.249 0.00797 0.39 0.248 0.0101 0.55 0.6697 0.986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 G24 mock treatment 0.239 -0.00203 -0.1 0.233 -0.0049 -0.27 -0.261 -0.91 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H01 compound treatment 0.253 0.012 0.59 0.251 0.0131 0.72 0.9257 0.9953 2077089 Maybridge3_003675 COc1ccc(cc1)c2ccnc(SC)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H02 compound treatment 0.245 0.00397 0.2 0.244 0.0061 0.33 0.375 0.9675 2077090 Maybridge3_003676 O=C/1CCC(C(=O)\C1=C/Nc2cccnc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H03 compound treatment 0.253 0.012 0.59 0.253 0.0151 0.83 1.0032 0.9863 2077091 Maybridge3_003677 CCOC(=O)c1c(C)c(C)sc1N(C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H04 compound treatment 0.266 0.025 1.23 0.266 0.0281 1.54 1.9612 0.9939 1405816 Maybridge3_003678 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)N2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H05 compound treatment 0.251 0.00997 0.49 0.244 0.0061 0.33 0.5845 0.9823 1378974 Maybridge3_003679 CC1C(=O)N(C)c2ccc(cc12)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H06 compound treatment 0.25 0.00897 0.44 0.246 0.0081 0.44 0.6271 1.0 2077092 Maybridge3_003680 O=S(=O)(c1cccs1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H07 compound treatment 0.259 0.018 0.89 0.265 0.0271 1.49 1.678 0.9696 1278899 Maybridge3_003681 COC(=O)C1=C(CSC1)Nc2ccc(OC(=O)Nc3cccc(Cl)c3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H08 compound treatment 0.289 0.048 2.37 0.287 0.0491 2.69 3.5785 0.998 1408120 Maybridge3_003682 CCOC(=O)c1sc(c-2c1CCc3conc32)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H09 compound treatment 0.298 0.057 2.81 0.3 0.0621 3.4 4.3968 0.9955 2077093 Maybridge3_003683 CC(C)(C)c1csc(n1)c2ccc(/C=N/C(=C(\N)/C#N)/C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H10 compound treatment 0.256 0.015 0.74 0.25 0.0121 0.66 0.9917 0.9986 2077094 Maybridge3_003684 CS(=O)(=NS(=O)(=O)c1ccccc1Cl)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H11 compound treatment 0.247 0.00597 0.29 0.245 0.0071 0.39 0.4836 0.9905 2077095 Maybridge3_003685 Cc1nn(Cc2nnc(SCC(=O)C(C)(C)C)o2)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H12 compound treatment 0.258 0.017 0.84 0.249 0.0111 0.61 1.0228 0.9877 2077096 Maybridge3_003686 CCOC(=O)COc1ccccc1/C=C(/C#N)\S(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H13 compound treatment 0.257 0.016 0.79 0.246 0.0081 0.44 0.8715 0.9631 2077097 Maybridge3_003687 COC(=O)CSc1sc(C#N)c2CC(C)(C)CC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H14 compound treatment 0.252 0.011 0.54 0.251 0.0131 0.72 0.8908 0.9903 1498986 Maybridge3_003688 COC(=O)C1SCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H15 compound treatment 0.252 0.011 0.54 0.255 0.0171 0.94 1.0459 0.966 1290743 Maybridge3_003689 CC(=O)Oc1ccc(Cl)cc1C(=O)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H16 compound treatment 0.307 0.066 3.26 0.299 0.0611 3.35 4.6723 0.9999 1713681 Maybridge3_003690 COc1ccc(cc1)C(=O)N=S2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H17 compound treatment 0.255 0.014 0.69 0.261 0.0231 1.27 1.3832 0.9592 1602917 Maybridge3_003691 Clc1ccc(cc1)c2nc(no2)c3cnccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H18 compound treatment 0.293 0.052 2.57 0.273 0.0351 1.92 3.1754 0.9899 2077098 Maybridge3_003692 FC(F)(F)c1ccc(nc1)S(=O)(=O)CCSc2ncccc2C(=O)NCc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H19 compound treatment 0.269 0.028 1.38 0.273 0.0351 1.92 2.3373 0.9867 2077099 Maybridge3_003693 FC(F)(F)c1cccc(NC=C2C(=O)CC(CC2=O)c3cccs3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H20 compound treatment 0.245 0.00397 0.2 0.249 0.0111 0.61 0.5688 0.8897 2077100 Maybridge3_003694 CC(C)(C)SC(=O)c1cccnc1SCCS(=O)(=O)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H21 compound treatment 0.243 0.00197 0.1 0.25 0.0121 0.66 0.5378 0.802 2077101 Maybridge3_003695 O=S(=O)(/C(=C/Nc1ccc2OCCOc2c1)/C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H22 compound treatment 0.242 9.66E-4 0.05 0.245 0.0071 0.39 0.309 0.7878 1696878 Maybridge3_003696 O=S(=O)(c1cccs1)c2nccnc2C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H23 mock treatment 0.253 0.012 0.59 0.246 0.0081 0.44 0.7319 0.9901 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 H24 mock treatment 0.242 9.66E-4 0.05 0.248 0.0101 0.55 0.4253 0.7652 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I01 compound treatment 0.244 0.00297 0.15 0.244 0.0061 0.33 0.34 0.9313 2077102 Maybridge3_003697 O=S(=O)(/C(=C/c1cccs1)/C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I02 compound treatment 0.252 0.011 0.54 0.251 0.0131 0.72 0.8908 0.9903 2077103 Maybridge3_003698 CS(=O)(=N/C=C(\C#N)/S(=O)(=O)c1ccccn1)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I03 compound treatment 0.25 0.00897 0.44 0.251 0.0131 0.72 0.821 0.973 2077104 Maybridge3_003699 O=S(=O)(Cc1cccc(C#N)c1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I04 compound treatment 0.25 0.00897 0.44 0.249 0.0111 0.61 0.7434 0.9878 2077105 Maybridge3_003700 CCOC(=O)c1sc2sc(C(=O)OCC)c(c2c1N)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I05 compound treatment 0.271 0.03 1.48 0.26 0.0221 1.21 1.9032 0.9951 2077106 Maybridge3_003701 Fc1ccc(NC(=O)c2cccnc2Sc3cccs3)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I06 compound treatment 0.255 0.014 0.69 0.255 0.0171 0.94 1.1506 0.9886 2077107 Maybridge3_003702 CC(=O)OCc1ccc(/C=C(\C#N)/S(=O)(=O)C)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I07 compound treatment 0.256 0.015 0.74 0.254 0.0161 0.88 1.1468 0.9961 2077108 Maybridge3_003703 COc1ccc(OC(=O)c2ccc(s2)c3ccccn3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I08 compound treatment 0.259 0.018 0.89 0.26 0.0221 1.21 1.4841 0.9883 2077109 Maybridge3_003704 Cc1ncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c(N)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I09 compound treatment 0.255 0.014 0.69 0.256 0.0181 0.99 1.1894 0.9842 1210189 Maybridge3_003705 COC(=O)COc1c(sc2ccccc12)C(=O)OC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I10 compound treatment 0.255 0.014 0.69 0.253 0.0151 0.83 1.0731 0.9959 2077110 Maybridge3_003706 CS(=O)c1sc(Br)c2CC(C)(C)CC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I11 compound treatment 0.257 0.016 0.79 0.248 0.0101 0.55 0.9491 0.9851 1413428 Maybridge3_003707 CCC(C)S(=O)(=O)c1scc(c1C#N)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I12 compound treatment 0.249 0.00797 0.39 0.254 0.0161 0.88 0.9023 0.9337 2077111 Maybridge3_003708 Cc1ncc(c(N)n1)S(=O)(=O)Cc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I13 compound treatment 0.28 0.039 1.92 0.259 0.0211 1.16 2.1787 0.9704 1311184 Maybridge3_003709 COC(=O)c1sc(N2CCCC2)c(C#N)c1c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I14 compound treatment 0.255 0.014 0.69 0.254 0.0161 0.88 1.1119 0.9925 2077112 Maybridge3_003710 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I15 compound treatment 0.246 0.00497 0.25 0.249 0.0111 0.61 0.6037 0.9201 2077113 Maybridge3_003711 CS(=O)(=NS(=O)(=O)c1ccc(Cl)s1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I16 compound treatment 0.255 0.014 0.69 0.25 0.0121 0.66 0.9568 0.9998 1518241 Maybridge3_003712 Clc1ccc(cc1)C(=O)NCc2ccc(s2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I17 compound treatment 0.266 0.025 1.23 0.265 0.0271 1.49 1.9224 0.9957 2077114 Maybridge3_003713 COC(=O)c1ccc(s1)c2csc(C)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I18 compound treatment 0.278 0.037 1.83 0.294 0.0561 3.08 3.4658 0.969 2077115 Maybridge3_003714 FC(F)(F)c1ccc(SCCS(=O)(=O)c2ccccc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I19 compound treatment 0.255 0.014 0.69 0.248 0.0101 0.55 0.8792 0.9941 2077116 Maybridge3_003715 Cc1onc(c1C(=O)N=S(=O)(C)C)c2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I20 compound treatment 0.254 0.013 0.64 0.252 0.0141 0.77 0.9994 0.9956 2077117 Maybridge3_003716 CS(=O)(=NS(=O)(=O)c1ccc(s1)c2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I21 compound treatment 0.246 0.00497 0.25 0.257 0.0191 1.05 0.9139 0.8497 1013628 Maybridge3_003717 OC(=O)c1ccc(Cl)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I22 compound treatment 0.258 0.017 0.84 0.255 0.0171 0.94 1.2554 0.9984 2077118 Maybridge3_003718 CN1c2ccsc2C(=O)/C(=C\Nc3cccc(c3)C(F)(F)F)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I23 mock treatment 0.251 0.00997 0.49 0.253 0.0151 0.83 0.9334 0.9691 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 I24 mock treatment 0.245 0.00397 0.2 0.244 0.0061 0.33 0.375 0.9675 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J01 compound treatment 0.243 0.00197 0.1 0.232 -0.0059 -0.32 -0.1601 -0.4741 2077119 Maybridge3_003719 Cc1nn(CCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J02 compound treatment 0.249 0.00797 0.39 0.242 0.0041 0.22 0.4371 0.9648 2077120 Maybridge3_003720 Cn1c(SCC(=O)N=S(=O)(C)c2ccc(Cl)cc2)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J03 compound treatment 0.252 0.011 0.54 0.245 0.0071 0.39 0.6582 0.9869 2077121 Maybridge3_003721 Clc1ccc(NC(=O)CSC2=CC(=O)CC(S2)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J04 compound treatment 0.246 0.00497 0.25 0.247 0.0091 0.5 0.5262 0.9465 2077122 Maybridge3_003722 Clc1ccc(cc1)S(=O)(=O)/C(=C/N2CCc3ccccc23)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J05 compound treatment 0.251 0.00997 0.49 0.25 0.0121 0.66 0.8171 0.9892 1149313 Maybridge3_003723 CCOC(=O)c1csc(n1)c2sc(SC)c3C(=O)CCCc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J06 compound treatment 0.255 0.014 0.69 0.247 0.0091 0.5 0.8405 0.9874 2077123 Maybridge3_003724 Clc1ccc(cc1)S(=N)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J07 compound treatment 0.294 0.053 2.62 0.269 0.0311 1.71 3.0552 0.9785 1117842 Maybridge3_003725 CNC(=O)Oc1ccc(NC2=C(CSC2)C(=O)OC)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J08 compound treatment 0.257 0.016 0.79 0.255 0.0171 0.94 1.2205 0.9963 1010895 Maybridge3_003726 COC(=O)c1ccc(Br)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J09 compound treatment 0.255 0.014 0.69 0.25 0.0121 0.66 0.9568 0.9998 2077124 Maybridge3_003727 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)CC#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J10 compound treatment 0.247 0.00597 0.29 0.234 -0.0039 -0.21 0.0571 0.1569 2077125 Maybridge3_003728 C/S(=N\S(=O)(=O)c1ccc(C)cc1)/c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J11 compound treatment 0.254 0.013 0.64 0.254 0.0161 0.88 1.0769 0.9876 1411162 Maybridge3_003729 CC(C)c1ccc(NC(=O)CSc2ncc3C(=O)CC(C)(C)Cc3n2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J12 compound treatment 0.254 0.013 0.64 0.244 0.0061 0.33 0.6892 0.9541 2077126 Maybridge3_003730 CCOC(=O)COc1ccccc1/C=C(/C#N)\S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J13 compound treatment 0.262 0.021 1.04 0.246 0.0081 0.44 1.0461 0.9286 1434422 Maybridge3_003731 CCCS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J14 compound treatment 0.316 0.075 3.7 0.349 0.111 6.09 6.925 0.9715 2077127 Maybridge3_003732 CS(=O)(=O)/C(=C/c1ccsc1Sc2ccc(Cl)cc2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J15 compound treatment 0.255 0.014 0.69 0.253 0.0151 0.83 1.0731 0.9959 2077128 Maybridge3_003733 OC(=O)c1cscc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J16 compound treatment 0.252 0.011 0.54 0.243 0.0051 0.28 0.5806 0.9527 1241376 Maybridge3_003734 COc1ccccc1C(=O)N=S2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J17 compound treatment 0.255 0.014 0.69 0.255 0.0171 0.94 1.1506 0.9886 2077129 Maybridge3_003735 CSc1nc(nc(c1C#N)c2ccccc2Cl)c3cnccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J18 compound treatment 0.252 0.011 0.54 0.259 0.0211 1.16 1.201 0.9402 1496837 Maybridge3_003736 O=S(=O)(c1ccccc1)n2ccc(n2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J19 compound treatment 0.261 0.02 0.99 0.264 0.0261 1.43 1.7091 0.9835 2077130 Maybridge3_003737 COc1ccc(NC=C2C(=O)CC(CC2=O)c3cccs3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J20 compound treatment 0.278 0.037 1.83 0.289 0.0511 2.8 3.2719 0.9785 2077131 Maybridge3_003738 FC(F)(F)c1cccc(c1)S(=O)(=O)CCSc2ncccc2C(=O)NCc3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J21 compound treatment 0.247 0.00597 0.29 0.253 0.0151 0.83 0.7937 0.9032 2077132 Maybridge3_003739 CCCS(=O)(=O)/C(=C/Nc1ccc2OCCOc2c1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J22 compound treatment 0.245 0.00397 0.2 0.246 0.0081 0.44 0.4525 0.9323 1126293 Maybridge3_003740 OCCSc1nccnc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J23 mock treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 J24 mock treatment 0.228 -0.013 -0.64 0.232 -0.0059 -0.32 -0.6839 -0.9493 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K01 compound treatment 0.241 -3.45E-5 0.0 0.241 0.0031 0.17 0.119 0.7 2077133 Maybridge3_003741 NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K02 compound treatment 0.256 0.015 0.74 0.254 0.0161 0.88 1.1468 0.9961 2077134 Maybridge3_003742 CSc1sc(cc1C#N)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K03 compound treatment 0.252 0.011 0.54 0.25 0.0121 0.66 0.852 0.9949 2077135 Maybridge3_003743 N/C(=N\O)/c1cccc(CS(=O)(=O)c2cccs2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K04 compound treatment 0.252 0.011 0.54 0.251 0.0131 0.72 0.8908 0.9903 1305959 Maybridge3_003744 CC(C)(C)c1c(C#N)sc2sc(C#N)c(N)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K05 compound treatment 0.273 0.032 1.58 0.255 0.0171 0.94 1.7791 0.9691 1658284 Maybridge3_003745 COC(=O)C1=C(CSC1)Nc2ccccc2NC(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K06 compound treatment 0.254 0.013 0.64 0.258 0.0201 1.1 1.232 0.9666 2077136 Maybridge3_003746 CCOC(=O)c1sc(c(C=C)c1C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K07 compound treatment 0.247 0.00597 0.29 0.242 0.0041 0.22 0.3673 0.9911 2077137 Maybridge3_003747 CS(=O)(=O)c1scc(c1C#N)c2ccccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K08 compound treatment 0.256 0.015 0.74 0.258 0.0201 1.1 1.3019 0.9811 1170090 Maybridge3_003748 CNC(=O)c1sc(c(C=C)c1C)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K09 compound treatment 0.249 0.00797 0.39 0.249 0.0111 0.61 0.7085 0.9777 2077138 Maybridge3_003749 Fc1ccc(NC(=O)CSc2cccs2)cc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K10 compound treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 2077139 Maybridge3_003750 CC(C)(C)c1csc(N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K11 compound treatment 0.244 0.00297 0.15 0.246 0.0081 0.44 0.4176 0.893 1669879 Maybridge3_003751 COc1ccc(cc1)S(=O)(=O)N=S(=O)(C)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K12 compound treatment 0.251 0.00997 0.49 0.246 0.0081 0.44 0.662 0.9987 2077140 Maybridge3_003752 Cc1nn(Cc2nnc(o2)c3cccs3)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K13 compound treatment 0.255 0.014 0.69 0.247 0.0091 0.5 0.8405 0.9874 2077141 Maybridge3_003753 OC(=O)c1sc(N2CCOCC2)c(C#N)c1c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K14 compound treatment 0.248 0.00697 0.34 0.253 0.0151 0.83 0.8287 0.9243 1328852 Maybridge3_003754 CSc1sc(C#N)c-2c1S(=O)(=O)N(C)c3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K15 compound treatment 0.251 0.00997 0.49 0.255 0.0171 0.94 1.011 0.9547 1462245 Maybridge3_003755 Clc1ccc(cc1)c2csc(CS(=O)(=O)c3cccs3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K16 compound treatment 0.246 0.00497 0.25 0.251 0.0131 0.72 0.6813 0.8976 2077142 Maybridge3_003756 Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)n3ccnc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K17 compound treatment 0.262 0.021 1.04 0.271 0.0331 1.81 2.0154 0.9646 2077143 Maybridge3_003757 O=S(=O)(Cc1ccco1)/C(=C/Nc2ccccn2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K18 compound treatment 0.257 0.016 0.79 0.254 0.0161 0.88 1.1817 0.9984 2077144 Maybridge3_003758 CN(C)S(=O)(=O)c1ccc(s1)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K19 compound treatment 0.248 0.00697 0.34 0.25 0.0121 0.66 0.7123 0.9532 2077145 Maybridge3_003759 Cc1nnsc1C(=O)N=S(=O)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K20 compound treatment 0.241 -3.45E-5 0.0 0.241 0.0031 0.17 0.119 0.7 2077146 Maybridge3_003760 Cc1cc(C)n(n1)S(=O)(=O)c2ccc(s2)c3cc(n(C)n3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K21 compound treatment 0.244 0.00297 0.15 0.25 0.0121 0.66 0.5727 0.8429 2077147 Maybridge3_003761 CSc1ncc(c(N)n1)S(=O)(=O)Cc2ccco2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K22 compound treatment 0.254 0.013 0.64 0.256 0.0181 0.99 1.1545 0.9775 2077148 Maybridge3_003762 CN1c2ccsc2C(=O)/C(=C\Nc3ccc(F)cc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K23 mock treatment 0.247 0.00597 0.29 0.249 0.0111 0.61 0.6387 0.9445 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 K24 mock treatment 0.249 0.00797 0.39 0.242 0.0041 0.22 0.4371 0.9648 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L01 compound treatment 0.313 0.072 3.55 0.306 0.0681 3.73 5.1532 0.9997 2077149 Maybridge3_003763 Cc1c(Br)sc2sc(c(C)c12)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L02 compound treatment 0.269 0.028 1.38 0.266 0.0281 1.54 2.0659 0.9985 2077150 Maybridge3_003764 Clc1ccc(SCc2cccc(c2)C(=O)CC#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L03 compound treatment 0.257 0.016 0.79 0.25 0.0121 0.66 1.0266 0.9963 2077151 Maybridge3_003765 CC(C)(C)c1csc(n1)c2ccc(/C=C(\C#N)/S(=O)(=O)C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L04 compound treatment 0.258 0.017 0.84 0.257 0.0191 1.05 1.3329 0.9939 2077152 Maybridge3_003766 O=S(=O)(Cc1ccco1)/C(=C/N2CCc3ccccc23)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L05 compound treatment 0.258 0.017 0.84 0.25 0.0121 0.66 1.0615 0.9933 2077153 Maybridge3_003767 CN1c2sc(C)c(C)c2C(=O)/C(=C\Nc3ccc(Cl)cn3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L06 compound treatment 0.257 0.016 0.79 0.259 0.0211 1.16 1.3755 0.9825 2077154 Maybridge3_003768 FC(F)(F)c1cc(n2ncc(C(=O)Nc3ccc(Cl)cc3)c2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L07 compound treatment 0.265 0.024 1.18 0.261 0.0231 1.27 1.7324 0.9994 2077155 Maybridge3_003769 CN(C)n1cccc1/C=C(\C#N)/S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L08 compound treatment 0.275 0.034 1.68 0.262 0.0241 1.32 2.1204 0.993 1130719 Maybridge3_003770 CSc1sc(c2cc[nH]n2)c(c1C#N)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L09 compound treatment 0.257 0.016 0.79 0.256 0.0181 0.99 1.2592 0.9935 2077156 Maybridge3_003771 O=C1CC(SC(=C1)SCC#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L10 compound treatment 0.258 0.017 0.84 0.255 0.0171 0.94 1.2554 0.9984 2077157 Maybridge3_003772 CNC(=O)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L11 compound treatment 0.255 0.014 0.69 0.254 0.0161 0.88 1.1119 0.9925 1321946 Maybridge3_003773 CCOC(=O)c1sc(N2CCCC2)c3C(=O)CC(C)(C)Cc13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L12 compound treatment 0.248 0.00697 0.34 0.248 0.0101 0.55 0.6348 0.9738 2077158 Maybridge3_003774 CS(=O)(=O)c1ccsc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L13 compound treatment 0.263 0.022 1.08 0.257 0.0191 1.05 1.5075 0.9998 1647807 Maybridge3_003775 CC1(C)CC(=O)c2c(NCc3ccco3)sc(C#N)c2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L14 compound treatment 0.25 0.00897 0.44 0.247 0.0091 0.5 0.6659 0.9982 2077159 Maybridge3_003776 FC(F)(F)c1ccc(nc1)N2CCSCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L15 compound treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 2077160 Maybridge3_003777 Nc1cc(nn1c2ccc(Cl)cc2)c3ccc(OC(F)(F)F)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L16 compound treatment 0.259 0.018 0.89 0.247 0.0091 0.5 0.9801 0.9629 2077161 Maybridge3_003778 Cc1c(C(=O)O)c(C(=O)O)c2SCCn12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L17 compound treatment 0.259 0.018 0.89 0.261 0.0231 1.27 1.5229 0.9848 2077162 Maybridge3_003779 CSc1nc(nc(c2ccco2)c1C#N)c3cnccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L18 compound treatment 0.25 0.00897 0.44 0.258 0.0201 1.1 1.0923 0.9197 1693089 Maybridge3_003780 O=S(=O)(c1cccs1)n2ccc(n2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L19 compound treatment 0.254 0.013 0.64 0.257 0.0191 1.05 1.1932 0.9721 2077163 Maybridge3_003781 CC(C)c1ncc(c(N)n1)S(=O)(=O)c2ccc(cn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L20 compound treatment 0.251 0.00997 0.49 0.252 0.0141 0.77 0.8946 0.9762 2077164 Maybridge3_003782 OC(=O)c1ccc(CS(=O)(=O)c2ccc(cn2)C(F)(F)F)o1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L21 compound treatment 0.249 0.00797 0.39 0.251 0.0131 0.72 0.786 0.9598 2077165 Maybridge3_003783 CC1(C)CCc2cc(/C=N/O)ccc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L22 compound treatment 0.246 0.00497 0.25 0.25 0.0121 0.66 0.6425 0.9084 1187489 Maybridge3_003784 OCCS(=O)(=O)c1nccnc1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L23 mock treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 L24 mock treatment 0.244 0.00297 0.15 0.227 -0.0109 -0.6 -0.319 -0.5185 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M01 compound treatment 0.241 -3.45E-5 0.0 0.231 -0.0069 -0.38 -0.2687 -0.7103 2077166 Maybridge3_003785 CCCS(=O)(=O)c1csc(C(=O)OC)c1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M02 compound treatment 0.251 0.00997 0.49 0.248 0.0101 0.55 0.7396 0.9983 2077167 Maybridge3_003786 CCOC(=O)c1sc2sc(C(=O)OCC)c(C)c2c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M03 compound treatment 0.251 0.00997 0.49 0.249 0.0111 0.61 0.7783 0.9944 2077168 Maybridge3_003787 Oc1nc(nc2CSCc21)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M04 compound treatment 0.252 0.011 0.54 0.25 0.0121 0.66 0.852 0.9949 2077169 Maybridge3_003788 Cc1csc2sc(/C=C(\C#N)/S(=O)(=O)C)c(C)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M05 compound treatment 0.322 0.081 4.0 0.307 0.0691 3.79 5.5062 0.9996 1685383 Maybridge3_003789 COC(=O)C1=C(CSC1)Nc2ccccc2NC(=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M06 compound treatment 0.29 0.049 2.42 0.262 0.0241 1.32 2.6441 0.9596 2077170 Maybridge3_003790 CC(C)(C)S(=O)(=O)/C(=C/Nc1ccc(OC(F)(F)F)cc1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M07 compound treatment 0.271 0.03 1.48 0.262 0.0241 1.32 1.9807 0.9984 2077171 Maybridge3_003791 CSc1scc(c1C#N)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M08 compound treatment 0.257 0.016 0.79 0.258 0.0201 1.1 1.3368 0.9865 2077172 Maybridge3_003792 COC(=O)c1sccc1N/C=C(\C#N)/S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M09 compound treatment 0.252 0.011 0.54 0.248 0.0101 0.55 0.7745 0.9999 2077173 Maybridge3_003793 CC(C)c1ccc(NC(=O)CSc2cccs2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M10 compound treatment 0.266 0.025 1.23 0.26 0.0221 1.21 1.7286 1.0 1544695 Maybridge3_003794 CC1(C)CC(=O)c2c(sc(C(=O)OCc3ccccc3)c2C1)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M11 compound treatment 0.25 0.00897 0.44 0.25 0.0121 0.66 0.7822 0.9807 2077174 Maybridge3_003795 CS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M12 compound treatment 0.244 0.00297 0.15 0.252 0.0141 0.77 0.6502 0.8264 2077175 Maybridge3_003796 CS(=O)(=O)c1sc(Br)c2CCCC(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M13 compound treatment 0.265 0.024 1.18 0.253 0.0151 0.83 1.4223 0.9847 2077176 Maybridge3_003797 CN(C)c1scc(c1C#N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M14 compound treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 2077177 Maybridge3_003798 FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC2CCSC2=O)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M15 compound treatment 0.246 0.00497 0.25 0.247 0.0091 0.5 0.5262 0.9465 1145601 Maybridge3_003799 CC(C)(C)c1csc(CS(=O)(=O)c2cccs2)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M16 compound treatment 0.255 0.014 0.69 0.248 0.0101 0.55 0.8792 0.9941 2077178 Maybridge3_003800 CC1(C)CC(=O)C=C(SCc2ccc(Cl)cc2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M17 compound treatment 0.258 0.017 0.84 0.25 0.0121 0.66 1.0615 0.9933 2077179 Maybridge3_003801 N/C(=N\O)/CS(=O)(=O)Cc1ccco1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M18 compound treatment 0.255 0.014 0.69 0.254 0.0161 0.88 1.1119 0.9925 2077180 Maybridge3_003802 CC1(C)CC(=O)C=C(SCC(=O)c2ccc(Cl)cc2)S1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M19 compound treatment 0.248 0.00697 0.34 0.252 0.0141 0.77 0.7899 0.9335 2077181 Maybridge3_003803 COC(=O)c1cc(cs1)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M20 compound treatment 0.261 0.02 0.99 0.273 0.0351 1.92 2.058 0.9517 1442462 Maybridge3_003804 Cc1ccc(cc1)S(=O)(=O)CCN(Cc2cccnc2)C(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M21 compound treatment 0.248 0.00697 0.34 0.249 0.0111 0.61 0.6736 0.9635 1546264 Maybridge3_003805 CSc1sc(C(=O)c2ccc(Cl)cc2)c3CCCC(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M22 compound treatment 0.251 0.00997 0.49 0.248 0.0101 0.55 0.7396 0.9983 2077182 Maybridge3_003806 CN1c2ccsc2C(=O)/C(=C\Nc3ccccc3Cl)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M23 mock treatment 0.249 0.00797 0.39 0.251 0.0131 0.72 0.786 0.9598 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 M24 mock treatment 0.239 -0.00203 -0.1 0.22 -0.0179 -0.98 -0.765 -0.7754 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N01 compound treatment 0.23 -0.011 -0.54 0.226 -0.0119 -0.65 -0.8467 -0.996 2077183 Maybridge3_003807 CSc1sc(cc1c2nc(cs2)c3ccc(Cl)cc3)C(=O)N4CCOCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N02 compound treatment 0.249 0.00797 0.39 0.247 0.0091 0.5 0.631 0.9931 2077184 Maybridge3_003808 CN1c2ccccc2C(=O)/C(=C/N=S(=O)(C)c3ccccc3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N03 compound treatment 0.249 0.00797 0.39 0.246 0.0081 0.44 0.5922 0.9982 1180077 Maybridge3_003809 CSc1sc(C(=O)O)c2-c3sccc3N(C)S(=O)(=O)c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N04 compound treatment 0.25 0.00897 0.44 0.243 0.0051 0.28 0.5108 0.9754 2077185 Maybridge3_003810 FC(F)(F)c1ccc(nc1)S(=O)(=O)/C(=C/N2CCc3ccccc23)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N05 compound treatment 0.251 0.00997 0.49 0.246 0.0081 0.44 0.662 0.9987 2077186 Maybridge3_003811 CC(C)(C)C(=O)CSC1=CC(=O)CC(S1)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N06 compound treatment 0.26 0.019 0.94 0.25 0.0121 0.66 1.1314 0.9857 2077187 Maybridge3_003812 CSc1sc(c2ccon2)c(c1C#N)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N07 compound treatment 0.278 0.037 1.83 0.265 0.0271 1.49 2.3414 0.9948 2077188 Maybridge3_003813 CN(C)n1cccc1/C=C(\C#N)/S(=O)(=O)c2cccc(Cl)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N08 compound treatment 0.272 0.031 1.53 0.264 0.0261 1.43 2.0932 0.9995 1131660 Maybridge3_003814 Clc1ccc(NC(=O)c2cc3ccccc3o2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N09 compound treatment 0.247 0.00597 0.29 0.247 0.0091 0.5 0.5611 0.9684 2077189 Maybridge3_003815 Cn1c(CSc2cccs2)nnc1SCC(=O)Nc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N10 compound treatment 0.25 0.00897 0.44 0.252 0.0141 0.77 0.8597 0.965 2077190 Maybridge3_003816 CS(=O)(=NC(=O)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N11 compound treatment 0.256 0.015 0.74 0.249 0.0111 0.61 0.9529 0.9954 2077191 Maybridge3_003817 FC(F)(F)c1cccc(c1)C(=O)c2cc3cc(Cl)ccc3oc2=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N12 compound treatment 0.27 0.029 1.43 0.272 0.0341 1.87 2.3335 0.9913 2077192 Maybridge3_003818 FC(F)(F)c1cccc(SCc2cccc(c2)C(=O)CC#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N13 compound treatment 0.26 0.019 0.94 0.251 0.0131 0.72 1.1701 0.9914 2077193 Maybridge3_003819 COC(=O)C1=C(CSC1)Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N14 compound treatment 0.243 0.00197 0.1 0.237 -9.0E-4 -0.05 0.0337 0.3099 2077194 Maybridge3_003820 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)/N=S/2\CCC3(C2)OCCO3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N15 compound treatment 0.25 0.00897 0.44 0.246 0.0081 0.44 0.6271 1.0 1387347 Maybridge3_003821 CS(=O)(=O)c1sc(C(=O)N)c2CCC=Cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N16 compound treatment 0.26 0.019 0.94 0.254 0.0161 0.88 1.2864 0.9996 2077195 Maybridge3_003822 CC(C)CNC(=O)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N17 compound treatment 0.269 0.028 1.38 0.264 0.0261 1.43 1.9884 0.9998 2077196 Maybridge3_003823 COC(=O)c1sc2ncccc2c1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N18 compound treatment 0.26 0.019 0.94 0.278 0.0401 2.2 2.2169 0.9277 2077197 Maybridge3_003824 O=C(c1cccs1)n2ccc(n2)c3ccc4OCCc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N19 compound treatment 0.248 0.00697 0.34 0.249 0.0111 0.61 0.6736 0.9635 2077198 Maybridge3_003825 COC(=O)c1sccc1NC=C2C(=O)CC(CC2=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N20 compound treatment 0.283 0.042 2.07 0.291 0.0531 2.91 3.5241 0.9861 2077199 Maybridge3_003826 CS(=O)(=O)CCSc1ncccc1C(=O)Sc2ccc(Cl)cc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N21 compound treatment 0.243 0.00197 0.1 0.243 0.0051 0.28 0.2664 0.8999 1433008 Maybridge3_003827 CCOC(=O)c1sc(SCCO)c2C(=O)CC(C)(C)Cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N22 compound treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 1191322 Maybridge3_003828 Cc1nn(Cc2cccc(c2)C(=O)N)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N23 mock treatment 0.248 0.00697 0.34 0.246 0.0081 0.44 0.5573 0.992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 N24 mock treatment 0.236 -0.00503 -0.25 0.247 0.0091 0.5 0.177 0.3175 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O01 compound treatment 0.209 -0.032 -1.58 0.218 -0.0199 -1.09 -1.8901 -0.9836 2077200 Maybridge3_003829 N/C(=N\O)/CSc1cccs1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O02 compound treatment 0.246 0.00497 0.25 0.25 0.0121 0.66 0.6425 0.9084 2077201 Maybridge3_003830 CSc1sc(c2cc[nH]n2)c3CC(C)(C)CC(=O)c13 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O03 compound treatment 0.241 -3.45E-5 0.0 0.242 0.0041 0.22 0.1578 0.7017 2077202 Maybridge3_003831 Cc1ccc(cc1)S(=O)(=O)CCS(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O04 compound treatment 0.254 0.013 0.64 0.249 0.0111 0.61 0.8831 0.9997 2077203 Maybridge3_003832 CSc1sc(C#N)c2CCC/C(=N/O)/c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O05 compound treatment 0.287 0.046 2.27 0.278 0.0401 2.2 3.1597 0.9999 1199500 Maybridge3_003833 COC(=O)C1=C(CSC1)Nc2ccccc2NS(=O)(=O)c3ccccc3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O06 compound treatment 0.257 0.016 0.79 0.256 0.0181 0.99 1.2592 0.9935 2077204 Maybridge3_003834 COC(=O)c1cc(c(SC)s1)c2nc(C)cs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O07 compound treatment 0.241 -3.45E-5 0.0 0.243 0.0051 0.28 0.1965 0.7028 2077205 Maybridge3_003835 CC(C)S(=O)(=O)c1cnc(nc1N)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O08 compound treatment 0.264 0.023 1.13 0.26 0.0221 1.21 1.6587 0.9995 2077206 Maybridge3_003836 COC(=O)c1sccc1N/C=C(\C#N)/S(=O)(=O)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O09 compound treatment 0.244 0.00297 0.15 0.241 0.0031 0.17 0.2237 0.9972 1270241 Maybridge3_003837 CC(C)S(=O)(=O)c1cnc(N)nc1N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O10 compound treatment 0.245 0.00397 0.2 0.243 0.0051 0.28 0.3362 0.9848 2077207 Maybridge3_003838 Cc1nn(Cc2nnc(o2)c3ccccc3Cl)c(C)c1Br 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O11 compound treatment 0.244 0.00297 0.15 0.24 0.0021 0.12 0.185 0.9929 2077208 Maybridge3_003839 CC(C)S(=O)(=O)c1cscc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O12 compound treatment 0.245 0.00397 0.2 0.248 0.0101 0.55 0.53 0.9024 2077209 Maybridge3_003840 CCOC(=O)c1csc(Cn2nc(C)c(Br)c2C)n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O13 compound treatment 0.261 0.02 0.99 0.244 0.0061 0.33 0.9337 0.8968 2077210 Maybridge3_003841 CSc1nnc(c2ccc(Br)s2)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O14 compound treatment 0.246 0.00497 0.25 0.246 0.0081 0.44 0.4874 0.9608 2077211 Maybridge3_003842 CSc1scc2CCc3cn(nc3-c12)C(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O15 compound treatment 0.253 0.012 0.59 0.252 0.0141 0.77 0.9645 0.9912 1402498 Maybridge3_003843 O=C(Cc1cccc(CC(=O)c2ccccc2)c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O16 compound treatment 0.255 0.014 0.69 0.264 0.0261 1.43 1.4996 0.944 1540080 Maybridge3_003844 CCCS(=O)(=O)C1=C(N)OC(=C(C#N)C1c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O17 compound treatment 0.246 0.00497 0.25 0.244 0.0061 0.33 0.4099 0.9884 2077212 Maybridge3_003845 Cn1c(SCc2cccc(C#N)c2)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O18 compound treatment 0.295 0.054 2.66 0.323 0.0851 4.67 5.1837 0.9647 2077213 Maybridge3_003846 CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)Nc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O19 compound treatment 0.246 0.00497 0.25 0.248 0.0101 0.55 0.565 0.9328 2077214 Maybridge3_003847 CCOC(=O)c1sc(SCc2ccccc2)c(c1N)S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O20 compound treatment 0.244 0.00297 0.15 0.24 0.0021 0.12 0.185 0.9929 1490245 Maybridge3_003848 CN(CCS(=O)(=O)c1ccc(C)cc1)Cc2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O21 compound treatment 0.238 -0.00303 -0.15 0.243 0.0051 0.28 0.0918 0.2893 1198188 Maybridge3_003849 CCOC(=O)c1sc(c2C(=O)CC(C)(C)Cc12)S(=O)(=O)Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O22 compound treatment 0.25 0.00897 0.44 0.247 0.0091 0.5 0.6659 0.9982 2077215 Maybridge3_003850 CN1c2ccsc2C(=O)/C(=C\Nc3ccccn3)/S1(=O)=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O23 mock treatment 0.241 -3.45E-5 0.0 0.246 0.0081 0.44 0.3128 0.7044 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 O24 mock treatment 0.214 -0.027 -1.34 0.22 -0.0179 -0.98 -1.638 -0.9886 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P01 compound treatment 0.193 -0.048 -2.37 0.196 -0.0419 -2.3 -3.3017 -0.9999 1585092 Maybridge3_003851 CCOC(=O)c1c(C)nsc1NC(=O)Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P02 compound treatment 0.222 -0.019 -0.94 0.236 -0.0019 -0.1 -0.7383 -0.7807 2077216 Maybridge3_003852 Cn1nc(cc1C(F)(F)F)c2ccc(/C=C(\C#N)/S(=O)(=O)C)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P03 compound treatment 0.218 -0.023 -1.14 0.22 -0.0179 -0.98 -1.4983 -0.9973 2077217 Maybridge3_003853 COc1ccc(N/C=C/2\C(=O)c3c(C)c(C)sc3N(C)S2(=O)=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P04 compound treatment 0.198 -0.043 -2.13 0.23 -0.0079 -0.43 -1.809 -0.8341 2077218 Maybridge3_003854 CSc1nc(nc(c2ccco2)c1C#N)n3nc(C)cc3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P05 compound treatment 0.216 -0.025 -1.24 0.22 -0.0179 -0.98 -1.5681 -0.9935 2077219 Maybridge3_003855 CC(C)NC(=O)CSc1nccc(n1)c2sc3scc(C)c3c2C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P06 compound treatment 0.217 -0.024 -1.19 0.221 -0.0169 -0.93 -1.4945 -0.9925 1347197 Maybridge3_003856 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N=S(=O)(C)c3ccc(C)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P07 compound treatment 0.266 0.025 1.23 0.262 0.0241 1.32 1.8061 0.9994 2077220 Maybridge3_003857 CN(C)n1cccc1/C=C(\C#N)/S(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P08 compound treatment 0.244 0.00297 0.15 0.232 -0.0059 -0.32 -0.1252 -0.3526 1307631 Maybridge3_003858 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P09 compound treatment 0.221 -0.02 -0.99 0.232 -0.0059 -0.32 -0.9283 -0.8919 2077221 Maybridge3_003859 Cn1c(CSc2cccs2)nnc1SCC(=O)NCC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P10 compound treatment 0.208 -0.033 -1.63 0.21 -0.0279 -1.53 -2.2352 -0.9995 2077222 Maybridge3_003860 Clc1ccc(cc1)c2ccnc(SCCS(=O)(=O)c3ccccc3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P11 compound treatment 0.221 -0.02 -0.99 0.23 -0.0079 -0.43 -1.0058 -0.9313 1293251 Maybridge3_003861 CC1(C)CC(=O)c2cnc(SCCS(=O)(=O)c3ccc(Cl)cc3)nc2C1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P12 compound treatment 0.22 -0.021 -1.04 0.223 -0.0149 -0.82 -1.3122 -0.9929 2077223 Maybridge3_003862 COC(=O)CSc1nccc(n1)c2ccc3OC(C)(C)CCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P13 compound treatment 0.221 -0.02 -0.99 0.232 -0.0059 -0.32 -0.9283 -0.8919 2077224 Maybridge3_003863 Cc1cc2ncc(c(C)n2n1)c3ccnc(SCC(=O)c4ccc(Cl)cc4)n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P14 compound treatment 0.215 -0.026 -1.29 0.216 -0.0219 -1.2 -1.7581 -0.9994 2077225 Maybridge3_003864 OC(=O)Cc1ccc(s1)C(=O)CSc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P15 compound treatment 0.239 -0.00203 -0.1 0.238 1.0E-4 0.01 -0.0672 -0.6675 2077226 Maybridge3_003865 CCSc1sc(C(=O)OC)c2CC(C)(C)C/C(=N\O)/c12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P16 compound treatment 0.236 -0.00503 -0.25 0.234 -0.0039 -0.21 -0.327 -0.9972 2077227 Maybridge3_003866 COC(=O)c1cnn2c(cc(nc12)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P17 compound treatment 0.23 -0.011 -0.54 0.234 -0.0039 -0.21 -0.5365 -0.9165 2077228 Maybridge3_003867 Clc1ccc(cc1)S(=O)c2ccc(s2)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P18 compound treatment 0.228 -0.013 -0.64 0.248 0.0101 0.55 -0.0636 -0.0748 2077229 Maybridge3_003868 CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)cc2)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P19 compound treatment 0.222 -0.019 -0.94 0.227 -0.0109 -0.6 -1.0872 -0.9761 2077230 Maybridge3_003869 CCOC(=O)c1c(C)c(C)sc1NC=C2C(=O)CC(CC2=O)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P20 compound treatment 0.224 -0.017 -0.84 0.228 -0.0099 -0.54 -0.9786 -0.9775 2077231 Maybridge3_003870 FC(F)(F)c1ccc(SCc2ccc(o2)C(=O)Nc3ccccc3)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P21 compound treatment 0.243 0.00197 0.1 0.222 -0.0159 -0.87 -0.5478 -0.6245 2077232 Maybridge3_003871 CN(C)S(=O)(=O)c1cc(c(Cl)s1)S(=O)(=O)N(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P22 compound treatment 0.215 -0.026 -1.29 0.209 -0.0289 -1.58 -2.0295 -0.9946 2077233 Maybridge3_003872 FC(F)(F)Oc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P23 mock treatment 0.217 -0.024 -1.19 0.199 -0.0389 -2.13 -2.3474 -0.9617 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1441 P24 mock treatment 0.2 -0.041 -2.03 0.209 -0.0289 -1.58 -2.5533 -0.9926 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A01 compound treatment 0.197 -0.0408 -2.01 0.174 -0.0632 -3.47 -3.876 -0.9666 2077234 Maybridge3_003873 N/C(=N/O)/c1nccnc1Sc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A02 compound treatment 0.21 -0.0278 -1.37 0.2 -0.0372 -2.04 -2.414 -0.9813 2077235 Maybridge3_003874 CSC(C)c1ccn(n1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A03 compound treatment 0.205 -0.0328 -1.62 0.212 -0.0252 -1.38 -2.1234 -0.9969 1138417 Maybridge3_003875 Cc1onc(c1C(=O)Nc2cccc3nsnc23)c4ccccc4Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A04 compound treatment 0.206 -0.0318 -1.57 0.221 -0.0162 -0.89 -1.7395 -0.9639 2077236 Maybridge3_003876 N/C(=N\O)/c1nccnc1Oc2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A05 compound treatment 0.203 -0.0348 -1.72 0.226 -0.0112 -0.62 -1.6504 -0.9042 1656884 Maybridge3_003877 Cn1nc(cc1NC(=O)C2COc3ccccc3O2)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A06 compound treatment 0.195 -0.0428 -2.11 0.221 -0.0162 -0.89 -2.1236 -0.9261 2077237 Maybridge3_003878 COC(=O)CSc1cc(nc2cc(nn12)C(C)(C)C)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A07 compound treatment 0.205 -0.0328 -1.62 0.205 -0.0322 -1.77 -2.3948 -0.999 2077238 Maybridge3_003879 Cn1cnc(c1)S(=O)(=O)N=S(=O)(C)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A08 compound treatment 0.212 -0.0258 -1.27 0.227 -0.0102 -0.56 -1.2974 -0.9322 1063968 Maybridge3_003880 C(c1ccccc1)n2ccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A09 compound treatment 0.211 -0.0268 -1.32 0.21 -0.0272 -1.49 -1.9914 -0.9982 1573915 Maybridge3_003881 O=C(Oc1ccccc1)c2csc(n2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A10 compound treatment 0.215 -0.0228 -1.13 0.237 -2.33E-4 -0.01 -0.8049 -0.7151 2077239 Maybridge3_003882 O=S(=O)(C1CS(=O)(=O)c2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A11 compound treatment 0.214 -0.0238 -1.17 0.226 -0.0112 -0.62 -1.2663 -0.9546 1240503 Maybridge3_003883 O=C(Oc1ccccc1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A12 compound treatment 0.223 -0.0148 -0.73 0.235 -0.00223 -0.12 -0.6031 -0.8143 2077240 Maybridge3_003884 COc1cc(nc2ccc(C)c(N)c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A13 compound treatment 0.22 -0.0178 -0.88 0.23 -0.00723 -0.4 -0.9017 -0.9354 2077241 Maybridge3_003885 Cn1c(SCc2ccc(Br)cc2F)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A14 compound treatment 0.212 -0.0258 -1.27 0.231 -0.00623 -0.34 -1.1423 -0.8662 2077242 Maybridge3_003886 COc1cc(nc2ccc(C)c(NC(=O)c3ccccc3)c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A15 compound treatment 0.223 -0.0148 -0.73 0.201 -0.0362 -1.99 -1.9213 -0.9077 1654432 Maybridge3_003887 Brc1cc2CCOc2c(c1)C(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A16 compound treatment 0.218 -0.0198 -0.98 0.228 -0.00923 -0.51 -1.0491 -0.9531 2077243 Maybridge3_003888 C/S(=N\S(=O)(=O)c1cccc2nsnc12)/c3ncccc3C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A17 compound treatment 0.216 -0.0218 -1.08 0.216 -0.0212 -1.16 -1.5842 -0.9992 1415267 Maybridge3_003889 N#CCOc1ccc2nonc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A18 compound treatment 0.224 -0.0138 -0.68 0.217 -0.0202 -1.11 -1.2661 -0.9726 2077244 Maybridge3_003890 O=S(=O)(/C(=C/NC1CCN(Cc2ccccc2)CC1)/C#N)c3ccccn3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A19 compound treatment 0.209 -0.0288 -1.42 0.207 -0.0302 -1.66 -2.1776 -0.9971 1645474 Maybridge3_003891 Clc1ccc(C(=O)Oc2ccc3c(=O)ccoc3c2)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A20 compound treatment 0.229 -0.00879 -0.43 0.239 0.00177 0.1 -0.2385 -0.5362 1580603 Maybridge3_003892 O=S(=O)(CCN1CCC(CC1)n2cccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A21 compound treatment 0.227 -0.0108 -0.53 0.207 -0.0302 -1.66 -1.549 -0.8896 2077245 Maybridge3_003893 COC(=O)c1scc2c(OC)cc(nc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A22 compound treatment 0.205 -0.0328 -1.62 0.199 -0.0382 -2.1 -2.6274 -0.9919 1330270 Maybridge3_003894 O=C(Nc1ccc(cc1)N2CCC(CC2)n3cccc3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A23 mock treatment 0.211 -0.0268 -1.32 0.215 -0.0222 -1.22 -1.7976 -0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 A24 mock treatment 0.176 -0.0618 -3.05 0.179 -0.0582 -3.19 -4.4154 -0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B01 compound treatment 0.205 -0.0328 -1.62 0.21 -0.0272 -1.49 -2.2009 -0.9992 2077246 Maybridge3_003895 CSc1nn(cc1C(=O)Sc2cccs2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B02 compound treatment 0.251 0.0132 0.65 0.248 0.0108 0.59 0.8786 0.9988 1229384 Maybridge3_003896 COc1c(I)cc(Cl)c2cccnc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B03 compound treatment 0.248 0.0102 0.5 0.251 0.0138 0.75 0.8901 0.9807 1462132 Maybridge3_003897 CCOC(=O)c1c(SC)nc2c(Cl)cccc2c1N(C)CCO 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B04 compound treatment 0.241 0.00321 0.16 0.244 0.00677 0.37 0.3743 0.9279 2077247 Maybridge3_003898 FC(F)(F)c1cccc(NC(=O)c2ccc3ncccc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B05 compound treatment 0.25 0.0122 0.6 0.25 0.0128 0.7 0.9212 0.9972 2077248 Maybridge3_003899 Cc1ccc2nc(cc(N3CCN(CCS(=O)(=O)c4ccc(Cl)cc4)CC3)c2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B06 compound treatment 0.247 0.00921 0.45 0.249 0.0118 0.65 0.7777 0.9853 2077249 Maybridge3_003900 FC(F)(F)c1c2CCCc2nc3cc(nn13)c4ccco4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B07 compound treatment 0.248 0.0102 0.5 0.246 0.00877 0.48 0.6963 0.9997 1557957 Maybridge3_003901 O=C(Oc1ccccc1)c2c(nnc3ccccc23)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B08 compound treatment 0.254 0.0162 0.8 0.254 0.0168 0.92 1.216 0.9976 2077250 Maybridge3_003902 CCOC(=O)N1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B09 compound treatment 0.254 0.0162 0.8 0.253 0.0158 0.86 1.1772 0.9993 2077251 Maybridge3_003903 COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)Cc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B10 compound treatment 0.249 0.0112 0.55 0.251 0.0138 0.75 0.9251 0.9884 2077252 Maybridge3_003904 FC(F)(F)c1cc(N2CCN(CCOC(=O)C3CC3)CC2)c4cccc(Cl)c4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B11 compound treatment 0.242 0.00421 0.21 0.242 0.00477 0.26 0.3317 0.9935 2077253 Maybridge3_003905 Oc1ccnc2ccc(OC(F)(F)F)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B12 compound treatment 0.252 0.0142 0.7 0.249 0.0118 0.65 0.9523 0.9991 1672604 Maybridge3_003906 O=C(N1CCOCC1)c2ccc3snnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B13 compound treatment 0.254 0.0162 0.8 0.252 0.0148 0.81 1.1384 1.0 2077254 Maybridge3_003907 OC1(CC(=NO1)c2cccs2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B14 compound treatment 0.25 0.0122 0.6 0.263 0.0258 1.41 1.4252 0.9279 2077255 Maybridge3_003908 Cc1ccc2nc(cc(N3CCC(CC3)C(=O)O)c2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B15 compound treatment 0.246 0.00821 0.41 0.251 0.0138 0.75 0.8203 0.9575 2077256 Maybridge3_003909 COc1ccc(cc1OC2CCCC2)/C(=N/O)/N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B16 compound treatment 0.264 0.0262 1.29 0.261 0.0238 1.3 1.8365 1.0 1012681 Maybridge3_003910 OC(=O)CSc1ccnc2cc(Cl)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B17 compound treatment 0.26 0.0222 1.1 0.26 0.0228 1.25 1.6581 0.9979 2077257 Maybridge3_003911 Fc1cccc(OC(=O)c2ccc3nonc3c2)c1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B18 compound treatment 0.251 0.0132 0.65 0.25 0.0128 0.7 0.9561 0.9994 2077258 Maybridge3_003912 CN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)c3ccc(F)cc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B19 compound treatment 0.254 0.0162 0.8 0.253 0.0158 0.86 1.1772 0.9993 2077259 Maybridge3_003913 CN(C)S(=O)(=O)c1ccc(s1)c2cc(on2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B20 compound treatment 0.242 0.00421 0.21 0.242 0.00477 0.26 0.3317 0.9935 1360569 Maybridge3_003914 CS(=O)(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B21 compound treatment 0.252 0.0142 0.7 0.251 0.0138 0.75 1.0298 0.9993 1729595 Maybridge3_003915 O=S(=O)(N1CCN(CC1)c2ccccc2)c3cccc4nsnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B22 compound treatment 0.241 0.00321 0.16 0.241 0.00377 0.21 0.258 0.9914 2077260 Maybridge3_003916 C/C=C/C(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B23 mock treatment 0.246 0.00821 0.41 0.242 0.00477 0.26 0.4714 0.9775 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 B24 mock treatment 0.229 -0.00879 -0.43 0.224 -0.0132 -0.73 -0.8201 -0.9699 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C01 compound treatment 0.206 -0.0318 -1.57 0.224 -0.0132 -0.73 -1.6232 -0.9385 1646562 Maybridge3_003917 CS(=O)(=NS(=O)(=O)c1cccc2nsnc12)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C02 compound treatment 0.231 -0.00679 -0.34 0.234 -0.00323 -0.18 -0.3626 -0.9556 2077261 Maybridge3_003918 COC(=O)c1csc(c1OC)S(=O)(=O)Nc2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C03 compound treatment 0.237 -7.93E-4 -0.04 0.236 -0.00123 -0.07 -0.0755 -0.9663 2077262 Maybridge3_003919 FC(F)(F)c1ccc(SCC(=O)Nc2cccc3nsnc23)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C04 compound treatment 0.239 0.00121 0.06 0.236 -0.00123 -0.07 -0.0057 -0.063 1615428 Maybridge3_003920 COC(=O)c1csc(c1OC)S(=O)(=O)N2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C05 compound treatment 0.242 0.00421 0.21 0.243 0.00577 0.32 0.3705 0.9792 2077263 Maybridge3_003921 N/C(=N\O)/c1ccc2nonc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C06 compound treatment 0.238 2.07E-4 0.01 0.238 7.67E-4 0.04 0.0369 0.8541 2077264 Maybridge3_003922 COC(=O)c1scc2c(Oc3ccccc3)cc(nc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C07 compound treatment 0.238 2.07E-4 0.01 0.244 0.00677 0.37 0.2696 0.7263 1678019 Maybridge3_003923 O=C(Sc1ccccn1)c2csc(n2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C08 compound treatment 0.243 0.00521 0.26 0.245 0.00777 0.43 0.4829 0.9708 2077265 Maybridge3_003924 Cn1c(SCc2nccn2Cc3ccc(Cl)cc3)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C09 compound treatment 0.245 0.00721 0.36 0.24 0.00277 0.15 0.3589 0.9277 1626824 Maybridge3_003925 CCOC(=O)c1sc(nc1C)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C10 compound treatment 0.238 2.07E-4 0.01 0.238 7.67E-4 0.04 0.0369 0.8541 1922402 Maybridge3_003926 COC(=O)c1ccc(C#CC(C)(C)O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C11 compound treatment 0.24 0.00221 0.11 0.239 0.00177 0.1 0.1456 0.9983 2077266 Maybridge3_003927 C(Sc1cccs1)c2ccc3nonc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C12 compound treatment 0.268 0.0302 1.49 0.267 0.0298 1.63 2.2088 0.999 2077267 Maybridge3_003928 Clc1ccc(CSc2nccnc2C#N)c(Cl)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C13 compound treatment 0.233 -0.00479 -0.24 0.239 0.00177 0.1 -0.0989 -0.3866 2077268 Maybridge3_003929 Fc1cc(Br)ccc1CS(=O)(=O)c2ccccn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C14 compound treatment 0.229 -0.00879 -0.43 0.229 -0.00823 -0.45 -0.6262 -0.9998 2077269 Maybridge3_003930 CCOC(=O)c1cncc(C#CCOC(=O)c2ccc(Cl)cc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C15 compound treatment 0.239 0.00121 0.06 0.242 0.00477 0.26 0.2269 0.8466 1249394 Maybridge3_003931 NC(=O)c1cc(Br)cc2CCOc21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C16 compound treatment 0.245 0.00721 0.36 0.246 0.00877 0.48 0.5915 0.9891 2077270 Maybridge3_003932 NC(=O)C1CCN(CC1)c2cc(ccn2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C17 compound treatment 0.25 0.0122 0.6 0.249 0.0118 0.65 0.8824 0.9994 2077271 Maybridge3_003933 CC(C)(C)c1csc(n1)c2ccc3nonc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C18 compound treatment 0.253 0.0152 0.75 0.256 0.0188 1.03 1.2586 0.988 1266206 Maybridge3_003934 OCc1sccc1Oc2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C19 compound treatment 0.258 0.0202 1.0 0.26 0.0228 1.25 1.5883 0.9938 2077272 Maybridge3_003935 CSc1nn2c(cc(nc2c1C(=O)O)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C20 compound treatment 0.241 0.00321 0.16 0.239 0.00177 0.1 0.1805 0.9722 2077273 Maybridge3_003936 FC(F)(F)c1nnc(SC(=O)c2ccc(C#Cc3ccccc3)o2)[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C21 compound treatment 0.24 0.00221 0.11 0.242 0.00477 0.26 0.2619 0.9248 2077274 Maybridge3_003937 FC(F)(F)c1cc(Oc2ccccc2)c3cccc(C#N)c3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C22 compound treatment 0.237 -7.93E-4 -0.04 0.238 7.67E-4 0.04 0.002 0.0353 1735700 Maybridge3_003938 CCOC(=O)c1c(O)c2cc(Cl)ccc2nc1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C23 mock treatment 0.235 -0.00279 -0.14 0.232 -0.00523 -0.29 -0.3004 -0.9436 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 C24 mock treatment 0.205 -0.0328 -1.62 0.211 -0.0262 -1.44 -2.1621 -0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D01 compound treatment 0.214 -0.0238 -1.17 0.239 0.00177 0.1 -0.7623 -0.6466 2077275 Maybridge3_003939 CSc1nn(cc1C(=O)Sc2ccccn2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D02 compound treatment 0.244 0.00621 0.31 0.246 0.00877 0.48 0.5566 0.9764 1585459 Maybridge3_003940 Cc1occc1c2cc(N)n(n2)c3cccc(Cl)c3Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D03 compound treatment 0.248 0.0102 0.5 0.246 0.00877 0.48 0.6963 0.9997 1370289 Maybridge3_003941 OC(=O)c1cncc(C#CCC2CCCCC2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D04 compound treatment 0.243 0.00521 0.26 0.242 0.00477 0.26 0.3666 1.0 1614929 Maybridge3_003942 O=C(NCCc1ccccc1)c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D05 compound treatment 0.249 0.0112 0.55 0.251 0.0138 0.75 0.9251 0.9884 2077276 Maybridge3_003943 O=C(Nc1ccccc1)OCC#Cc2ccc(C#N)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D06 compound treatment 0.244 0.00621 0.31 0.245 0.00777 0.43 0.5178 0.987 2077277 Maybridge3_003944 Nc1nc(cc(n1)C(F)(F)F)c2nccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D07 compound treatment 0.287 0.0492 2.43 0.279 0.0418 2.29 3.3375 0.9996 1671972 Maybridge3_003945 COc1cc(NC(=O)c2c(nnc3ccccc23)c4ccccc4)cc(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D08 compound treatment 0.269 0.0312 1.54 0.255 0.0178 0.97 1.7785 0.9755 2077278 Maybridge3_003946 FC(F)(F)c1cc(nc2ccnn12)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D09 compound treatment 0.248 0.0102 0.5 0.248 0.0108 0.59 0.7738 0.9969 1510085 Maybridge3_003947 COc1ccc(cc1OC)S(=O)(=O)NC2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D10 compound treatment 0.254 0.0162 0.8 0.252 0.0148 0.81 1.1384 1.0 1241394 Maybridge3_003948 COC(=O)c1ccc2n(nnc2c1)C3CCN(Cc4ccccc4)CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D11 compound treatment 0.25 0.0122 0.6 0.248 0.0108 0.59 0.8437 0.9999 1127976 Maybridge3_003949 O=S(=O)(N(CCC#N)Cc1cccs1)c2cccc3nsnc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D12 compound treatment 0.238 2.07E-4 0.01 0.243 0.00577 0.32 0.2308 0.7296 2077279 Maybridge3_003950 C=CCn1c(SCC(=O)NCc2ccccc2)nnc1c3ccc4ncccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D13 compound treatment 0.251 0.0132 0.65 0.254 0.0168 0.92 1.1112 0.9859 1480094 Maybridge3_003951 Clc1cccc2c(ccnc12)N3CCC(CC3)n4cccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D14 compound treatment 0.249 0.0112 0.55 0.252 0.0148 0.81 0.9638 0.9828 2077280 Maybridge3_003952 Cn1c(CNC(=O)c2ccccc2)nnc1SCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D15 compound treatment 0.25 0.0122 0.6 0.252 0.0148 0.81 0.9988 0.9894 1558253 Maybridge3_003953 Fc1ccc(NC(=O)c2ccc3nonc3c2)c(F)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D16 compound treatment 0.29 0.0522 2.58 0.284 0.0468 2.56 3.6361 1.0 1120418 Maybridge3_003954 CSc1nc2ccc(NC(=O)c3ccc4snnc4c3)cc2s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D17 compound treatment 0.259 0.0212 1.05 0.259 0.0218 1.19 1.5844 0.9979 1459416 Maybridge3_003955 O=C(N1CCN(CC1)c2ccccc2)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D18 compound treatment 0.252 0.0142 0.7 0.254 0.0168 0.92 1.1461 0.9911 1585700 Maybridge3_003956 COCC(C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D19 compound treatment 0.251 0.0132 0.65 0.252 0.0148 0.81 1.0337 0.9942 1708839 Maybridge3_003957 N#Cc1nccnc1N2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D20 compound treatment 0.24 0.00221 0.11 0.241 0.00377 0.21 0.2231 0.9554 1732100 Maybridge3_003958 Clc1ccc2c(ccnc2c1)N3CCN(CC3)C(=O)C4CCCCC4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D21 compound treatment 0.256 0.0182 0.9 0.252 0.0148 0.81 1.2083 0.9986 1392947 Maybridge3_003959 O=S(=O)(NCCc1c[nH]c2ccccc12)c3cccc4nsnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D22 compound treatment 0.241 0.00321 0.16 0.243 0.00577 0.32 0.3356 0.9489 1736799 Maybridge3_003960 CN(C)c1ccc(cc1)C(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D23 mock treatment 0.245 0.00721 0.36 0.243 0.00577 0.32 0.4752 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 D24 mock treatment 0.229 -0.00879 -0.43 0.219 -0.0182 -1.0 -1.014 -0.9303 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E01 compound treatment 0.24 0.00221 0.11 0.243 0.00577 0.32 0.3006 0.8989 2077281 Maybridge3_003961 Clc1ccc(cc1)C(=O)N2CCSC2=S 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E02 compound treatment 0.248 0.0102 0.5 0.249 0.0118 0.65 0.8126 0.9925 2077282 Maybridge3_003962 CSc1nn(cc1c2noc(n2)c3ccc(Cl)cc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E03 compound treatment 0.243 0.00521 0.26 0.243 0.00577 0.32 0.4054 0.9947 2077283 Maybridge3_003963 Clc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E04 compound treatment 0.248 0.0102 0.5 0.25 0.0128 0.7 0.8514 0.987 2077284 Maybridge3_003964 FC(F)(F)c1cccc(Oc2nccnc2c3noc(n3)c4cccs4)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E05 compound treatment 0.239 0.00121 0.06 0.246 0.00877 0.48 0.382 0.7887 1319212 Maybridge3_003965 CC(C)C1Oc2c(cccc2NC1=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E06 compound treatment 0.245 0.00721 0.36 0.248 0.0108 0.59 0.6691 0.9706 2077285 Maybridge3_003966 COc1cc(nc2ccc(C#CCO)cc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E07 compound treatment 0.243 0.00521 0.26 0.248 0.0108 0.59 0.5992 0.9306 2077286 Maybridge3_003967 Oc1cc(nc2[nH]nc(c3cccs3)c12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E08 compound treatment 0.269 0.0312 1.54 0.26 0.0228 1.25 1.9724 0.9945 2077287 Maybridge3_003968 C(#Cc1ccccc1)c2ccc(s2)c3cc[nH]n3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E09 compound treatment 0.263 0.0252 1.24 0.26 0.0228 1.25 1.7628 1.0 2077288 Maybridge3_003969 CSc1nn2c(cc(nc2c1C#N)C(F)(F)F)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E10 compound treatment 0.279 0.0412 2.03 0.277 0.0398 2.18 2.9806 0.9994 2077289 Maybridge3_003970 FC(F)(F)c1ccc(nc1)N2CCC(CC2)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E11 compound treatment 0.257 0.0192 0.95 0.252 0.0148 0.81 1.2432 0.9969 2077290 Maybridge3_003971 FC(F)(F)c1ccc(SCc2ccc3nonc3c2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E12 compound treatment 0.252 0.0142 0.7 0.25 0.0128 0.7 0.991 1.0 2077291 Maybridge3_003972 FC(F)(F)c1ccc2SCC(=O)N(Cc3ccccc3)c2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E13 compound treatment 0.314 0.0762 3.76 0.304 0.0668 3.66 5.2496 0.9999 1332456 Maybridge3_003973 Cc1csc(n1)c2sc3ccccc3c2O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E14 compound treatment 0.251 0.0132 0.65 0.251 0.0138 0.75 0.9949 0.9973 1258662 Maybridge3_003974 CN(C)CC#Cc1ccc(s1)c2cc[nH]n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E15 compound treatment 0.247 0.00921 0.45 0.252 0.0148 0.81 0.894 0.9628 2077292 Maybridge3_003975 COc1c(C)cnc(CO)c1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E16 compound treatment 0.261 0.0232 1.15 0.268 0.0308 1.69 2.0032 0.9823 2077293 Maybridge3_003976 O=C(Nc1ccc2COC(=O)c2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E17 compound treatment 0.262 0.0242 1.2 0.259 0.0218 1.19 1.6892 1.0 1718090 Maybridge3_003977 N#Cc1ccc(cc1)c2csc(COc3ccc4nonc4c3)n2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E18 compound treatment 0.28 0.0422 2.08 0.291 0.0538 2.95 3.5583 0.9856 2077294 Maybridge3_003978 Brc1ccc(s1)c2ccn(n2)S(=O)(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E19 compound treatment 0.264 0.0262 1.29 0.265 0.0278 1.52 1.9916 0.9967 2077295 Maybridge3_003979 CC(C)(C)c1cc2nc(cc(C#N)n2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E20 compound treatment 0.285 0.0472 2.33 0.29 0.0528 2.89 3.6942 0.9943 1507720 Maybridge3_003980 O=C(Nc1ccccc1)c2ccc(C#Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E21 compound treatment 0.269 0.0312 1.54 0.26 0.0228 1.25 1.9724 0.9945 1264652 Maybridge3_003981 Cc1ccc(cc1)C(=O)Nc2ccc3CS(=O)(=O)Cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E22 compound treatment 0.246 0.00821 0.41 0.246 0.00877 0.48 0.6265 0.9964 1101325 Maybridge3_003982 OC1CN(C1)C(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E23 mock treatment 0.248 0.0102 0.5 0.247 0.00977 0.54 0.7351 0.9995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 E24 mock treatment 0.235 -0.00279 -0.14 0.209 -0.0282 -1.55 -1.1921 -0.7671 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F01 compound treatment 0.22 -0.0178 -0.88 0.242 0.00477 0.26 -0.4365 -0.4762 2077296 Maybridge3_003983 CSc1nn(cc1C(=O)Oc2ccc(Cl)cc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F02 compound treatment 0.246 0.00821 0.41 0.249 0.0118 0.65 0.7428 0.9749 2077297 Maybridge3_003984 CC(=O)Nc1c(nn2c(C)cc(nc12)C(F)(F)F)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F03 compound treatment 0.252 0.0142 0.7 0.256 0.0188 1.03 1.2237 0.9826 2077298 Maybridge3_003985 FC(F)(F)c1cc(N2CCN(CC2)S(=O)(=O)c3ccccc3)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F04 compound treatment 0.26 0.0222 1.1 0.267 0.0298 1.63 1.9295 0.9813 1662303 Maybridge3_003986 COc1ccc(OC(=O)c2ccc3ncccc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F05 compound treatment 0.251 0.0132 0.65 0.253 0.0158 0.86 1.0724 0.9903 1634093 Maybridge3_003987 O=C(CSc1ccccc1)N2CCC(CC2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F06 compound treatment 0.281 0.0432 2.13 0.282 0.0448 2.45 3.2443 0.9976 2077299 Maybridge3_003988 Nc1nc(cc(n1)C(F)(F)F)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F07 compound treatment 0.279 0.0412 2.03 0.274 0.0368 2.02 2.8643 1.0 1420243 Maybridge3_003989 Cc1ccc(NC(=O)c2c(nnc3ccccc23)c4ccccc4)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F08 compound treatment 0.265 0.0272 1.34 0.262 0.0248 1.36 1.9102 1.0 2077300 Maybridge3_003990 FC(F)(F)c1ccn(n1)c2cc(=O)c3ccccc3o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F09 compound treatment 0.255 0.0172 0.85 0.256 0.0188 1.03 1.3284 0.9955 2077301 Maybridge3_003991 CSc1scc(NC(=O)c2ccc(C)cc2)c1S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F10 compound treatment 0.252 0.0142 0.7 0.251 0.0138 0.75 1.0298 0.9993 2077302 Maybridge3_003992 Cn1c(CNC(=O)OC(C)(C)C)nnc1SCc2c(F)cccc2Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F11 compound treatment 0.255 0.0172 0.85 0.269 0.0318 1.74 1.8324 0.9455 2077303 Maybridge3_003993 CCOC(=O)c1sc(SC)c(c1N)S(=O)(=O)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F12 compound treatment 0.25 0.0122 0.6 0.251 0.0138 0.75 0.96 0.9938 2077304 Maybridge3_003994 CC(C)NC(=O)CSc1nnc(c2ccc3ncccc3c2)n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F13 compound treatment 0.269 0.0312 1.54 0.265 0.0278 1.52 2.1662 1.0 2077305 Maybridge3_003995 CCOC(=O)Cc1cc(=O)n2nc(cc2[nH]1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F14 compound treatment 0.247 0.00921 0.45 0.246 0.00877 0.48 0.6614 0.9996 1423418 Maybridge3_003996 COC(=O)CSc1ccnc2cc(Cl)ccc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F15 compound treatment 0.287 0.0492 2.43 0.268 0.0308 1.69 2.911 0.9841 2077306 Maybridge3_003997 FC(F)(F)c1cccc(NC(=O)c2ccc3nonc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F16 compound treatment 0.263 0.0252 1.24 0.265 0.0278 1.52 1.9567 0.995 2077307 Maybridge3_003998 O=C(Nc1ccc2CS(=O)(=O)Cc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F17 compound treatment 0.257 0.0192 0.95 0.255 0.0178 0.97 1.3595 0.9999 2077308 Maybridge3_003999 FC(F)(F)c1cc(n[nH]1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F18 compound treatment 0.282 0.0442 2.18 0.274 0.0368 2.02 2.9691 0.9992 2077309 Maybridge3_004000 Cc1cc(C)c2cc([nH]c2c1)C(=O)NCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F19 compound treatment 0.268 0.0302 1.49 0.277 0.0398 2.18 2.5965 0.9829 1523206 Maybridge3_004001 N#Cc1nccnc1N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F20 compound treatment 0.242 0.00421 0.21 0.245 0.00777 0.43 0.448 0.9455 1149229 Maybridge3_004002 CCS(=O)(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F21 compound treatment 0.255 0.0172 0.85 0.254 0.0168 0.92 1.2509 0.9992 2077310 Maybridge3_004003 CN(C)S(=O)(=O)Nc1ccc(C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F22 compound treatment 0.252 0.0142 0.7 0.253 0.0158 0.86 1.1074 0.9946 1200296 Maybridge3_004004 Clc1ccc2c(ccnc2c1)N3CCN(CC3)C(=O)Cc4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F23 mock treatment 0.249 0.0112 0.55 0.247 0.00977 0.54 0.77 0.9999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 F24 mock treatment 0.24 0.00221 0.11 0.246 0.00877 0.48 0.4169 0.846 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G01 compound treatment 0.224 -0.0138 -0.68 0.239 0.00177 0.1 -0.4131 -0.6005 2077311 Maybridge3_004005 CSc1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G02 compound treatment 0.248 0.0102 0.5 0.252 0.0148 0.81 0.9289 0.974 1162460 Maybridge3_004006 OCC#Cc1ccc(s1)c2cccnc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G03 compound treatment 0.247 0.00921 0.45 0.247 0.00977 0.54 0.7001 0.9967 1636969 Maybridge3_004007 CS(=N)(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G04 compound treatment 0.286 0.0482 2.38 0.28 0.0428 2.34 3.3414 1.0 2077312 Maybridge3_004008 COC(=O)CSc1cc(nc2c(scc12)C(=O)OC)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G05 compound treatment 0.243 0.00521 0.26 0.251 0.0138 0.75 0.7156 0.8973 1130330 Maybridge3_004009 CCOC(=O)CN1C(=O)C(Oc2c(cccc12)C(C)C)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G06 compound treatment 0.247 0.00921 0.45 0.249 0.0118 0.65 0.7777 0.9853 1729930 Maybridge3_004010 CCOC(=O)c1cn(Cc2ccccc2)c3cc(C)nn3c1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G07 compound treatment 0.258 0.0202 1.0 0.259 0.0218 1.19 1.5495 0.996 2077313 Maybridge3_004011 CCOC(=O)c1csc(n1)c2ccc3nonc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G08 compound treatment 0.256 0.0182 0.9 0.252 0.0148 0.81 1.2083 0.9986 2077314 Maybridge3_004012 FC(F)(F)C1CCN(CCS(=O)(=O)c2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G09 compound treatment 0.247 0.00921 0.45 0.255 0.0178 0.97 1.0103 0.9398 1726778 Maybridge3_004013 Cc1nc(sc1C(=O)O)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G10 compound treatment 0.254 0.0162 0.8 0.248 0.0108 0.59 0.9833 0.9888 2077315 Maybridge3_004014 CSc1ncc2c(O)ncnc2n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G11 compound treatment 0.249 0.0112 0.55 0.252 0.0148 0.81 0.9638 0.9828 2077316 Maybridge3_004015 O=S(Cc1ccc2nonc2c1)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G12 compound treatment 0.245 0.00721 0.36 0.257 0.0198 1.08 1.018 0.8924 1382187 Maybridge3_004016 CCOC(=O)c1cncc(C#CC(C)(C)O)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G13 compound treatment 0.238 2.07E-4 0.01 0.251 0.0138 0.75 0.541 0.7166 1638255 Maybridge3_004017 Cc1ccc(cc1)C(=O)NCC2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G14 compound treatment 0.246 0.00821 0.41 0.249 0.0118 0.65 0.7428 0.9749 1146518 Maybridge3_004018 NC(=O)CCOC1CCN(CC1)C(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G15 compound treatment 0.264 0.0262 1.29 0.263 0.0258 1.41 1.9141 0.999 1131426 Maybridge3_004019 CC(C)(C)NC(=O)c1cc(Br)cc2CCOc21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G16 compound treatment 0.252 0.0142 0.7 0.254 0.0168 0.92 1.1461 0.9911 1374712 Maybridge3_004020 O=C(Nc1ccc2COC(=O)c2c1)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G17 compound treatment 0.258 0.0202 1.0 0.258 0.0208 1.14 1.5107 0.9978 2077317 Maybridge3_004021 Cc1cc(nc2c(Cl)c(nn12)C3CC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G18 compound treatment 0.258 0.0202 1.0 0.258 0.0208 1.14 1.5107 0.9978 1374157 Maybridge3_004022 O=C(N1CCC(CC1)n2cccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G19 compound treatment 0.23 -0.00779 -0.38 0.234 -0.00323 -0.18 -0.3975 -0.9381 2077318 Maybridge3_004023 Oc1cc(nc2c(OC(F)(F)F)cccc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G20 compound treatment 0.255 0.0172 0.85 0.255 0.0178 0.97 1.2897 0.9977 1689779 Maybridge3_004024 O=C(N1CCOCC1)c2ccc(C#Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G21 compound treatment 0.245 0.00721 0.36 0.25 0.0128 0.7 0.7466 0.9508 1702398 Maybridge3_004025 COc1ccc(cc1)S(=O)(=O)Nc2ccc3CS(=O)(=O)Cc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G22 compound treatment 0.254 0.0162 0.8 0.245 0.00777 0.43 0.867 0.9564 1391261 Maybridge3_004026 CCOC(=O)c1c(O)c2cccc(Cl)c2nc1SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G23 mock treatment 0.243 0.00521 0.26 0.249 0.0118 0.65 0.638 0.9186 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 G24 mock treatment 0.239 0.00121 0.06 0.24 0.00277 0.15 0.1494 0.9167 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H01 compound treatment 0.236 -0.00179 -0.09 0.245 0.00777 0.43 0.2385 0.5483 2077319 Maybridge3_004027 COc1ccc(OC(=O)c2cn(nc2SC)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H02 compound treatment 0.25 0.0122 0.6 0.253 0.0158 0.86 1.0375 0.9845 1405433 Maybridge3_004028 CC(C)N1CCC(CC1)n2nnc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H03 compound treatment 0.248 0.0102 0.5 0.249 0.0118 0.65 0.8126 0.9925 2077320 Maybridge3_004029 FC(F)(F)c1cc(N2CCN(CC2)C(=O)c3ccccc3)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H04 compound treatment 0.243 0.00521 0.26 0.242 0.00477 0.26 0.3666 1.0 1181065 Maybridge3_004030 O=C(N1CCN(CC1)c2ccccc2)c3ccc4ncccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H05 compound treatment 0.26 0.0222 1.1 0.255 0.0178 0.97 1.4642 0.9983 2077321 Maybridge3_004031 O=C(OCC#Cc1ccc(C#N)cc1)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H06 compound treatment 0.296 0.0582 2.87 0.29 0.0528 2.89 4.0783 1.0 2077322 Maybridge3_004032 Nc1nc(c2CCc3ccccc3-c2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H07 compound treatment 0.253 0.0152 0.75 0.253 0.0158 0.86 1.1423 0.9975 2077323 Maybridge3_004033 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCC(=O)c3ccc(F)c(F)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H08 compound treatment 0.297 0.0592 2.92 0.284 0.0468 2.56 3.8805 0.9979 2077324 Maybridge3_004034 FC(F)(F)c1cc(nc2cc(nn12)c3cccs3)c4nccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H09 compound treatment 0.262 0.0242 1.2 0.266 0.0288 1.58 1.9606 0.9906 1237588 Maybridge3_004035 CSc1scc(NS(=O)(=O)c2ccc(Cl)cc2)c1S(=O)(=O)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H10 compound treatment 0.296 0.0582 2.87 0.276 0.0388 2.13 3.5355 0.989 1211183 Maybridge3_004036 COc1cc(NC(=O)c2ccc3snnc3c2)cc(OC)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H11 compound treatment 0.244 0.00621 0.31 0.246 0.00877 0.48 0.5566 0.9764 2077325 Maybridge3_004037 Clc1ccc(cc1)S(=O)(=O)n2ncc(C#N)c2C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H12 compound treatment 0.256 0.0182 0.9 0.252 0.0148 0.81 1.2083 0.9986 1725990 Maybridge3_004038 O=C(NCc1ccco1)c2ccc3snnc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H13 compound treatment 0.266 0.0282 1.39 0.263 0.0258 1.41 1.9839 1.0 1261573 Maybridge3_004039 Clc1ccc(cc1)S(=O)(=O)N(CCC(=O)Nc2ccccc2)Cc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H14 compound treatment 0.243 0.00521 0.26 0.253 0.0158 0.86 0.7931 0.8794 2077326 Maybridge3_004040 COC(=O)c1ccc(Cn2cnc3ccccc23)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H15 compound treatment 0.27 0.0322 1.59 0.257 0.0198 1.08 1.891 0.9825 2077327 Maybridge3_004041 COc1ccc(NC(=O)c2ccc3nonc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H16 compound treatment 0.248 0.0102 0.5 0.249 0.0118 0.65 0.8126 0.9925 2077328 Maybridge3_004042 CC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H17 compound treatment 0.274 0.0362 1.79 0.262 0.0248 1.36 2.2245 0.9908 2077329 Maybridge3_004043 COc1ccc(cc1OC2CCCC2)c3noc(n3)c4cccs4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H18 compound treatment 0.285 0.0472 2.33 0.281 0.0438 2.4 3.3452 0.9999 1331976 Maybridge3_004044 CCc1ccc2[nH]c(cc2c1)C(=O)N(C)c3ccc(F)cc3F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H19 compound treatment 0.246 0.00821 0.41 0.252 0.0148 0.81 0.8591 0.9488 1661316 Maybridge3_004045 Fc1ccc(cc1)S(=O)(=O)CCN2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H20 compound treatment 0.242 0.00421 0.21 0.241 0.00377 0.21 0.2929 1.0 1700688 Maybridge3_004046 CC(C)S(=O)(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H21 compound treatment 0.242 0.00421 0.21 0.244 0.00677 0.37 0.4092 0.9624 1535026 Maybridge3_004047 CCOC(=O)Nc1cncc(Br)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H22 compound treatment 0.259 0.0212 1.05 0.26 0.0228 1.25 1.6232 0.9962 1199932 Maybridge3_004048 Cc1cc(Nc2ccccc2)c3ccccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H23 mock treatment 0.248 0.0102 0.5 0.245 0.00777 0.43 0.6575 0.9965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 H24 mock treatment 0.235 -0.00279 -0.14 0.245 0.00777 0.43 0.2036 0.4548 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I01 compound treatment 0.242 0.00421 0.21 0.249 0.0118 0.65 0.6031 0.8898 2077330 Maybridge3_004049 O/N=C/c1ccc2OCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I02 compound treatment 0.252 0.0142 0.7 0.251 0.0138 0.75 1.0298 0.9993 2077331 Maybridge3_004050 CSc1nn(cc1c2noc(n2)c3cccs3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I03 compound treatment 0.271 0.0332 1.64 0.276 0.0388 2.13 2.6625 0.9918 2077332 Maybridge3_004051 Cc1occc1C(=O)C(=C2SCCCCS2)C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I04 compound treatment 0.245 0.00721 0.36 0.248 0.0108 0.59 0.6691 0.9706 2077333 Maybridge3_004052 O/N=C/C(=O)Nc1ccccc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I05 compound treatment 0.248 0.0102 0.5 0.255 0.0178 0.97 1.0452 0.953 2077334 Maybridge3_004053 CCOC(=O)c1csc(n1)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I06 compound treatment 0.262 0.0242 1.2 0.261 0.0238 1.3 1.7667 0.9991 2077335 Maybridge3_004054 COC(=O)c1sccc1Oc2cc(nc3c(scc23)C(=O)OC)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I07 compound treatment 0.268 0.0302 1.49 0.268 0.0308 1.69 2.2476 0.9981 1167446 Maybridge3_004055 O=C(Nc1ccccc1)c2csc(n2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I08 compound treatment 0.253 0.0152 0.75 0.252 0.0148 0.81 1.1035 0.9993 2077336 Maybridge3_004056 CC(C)(C)c1cc2nc(cc(SCCO)n2n1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I09 compound treatment 0.252 0.0142 0.7 0.253 0.0158 0.86 1.1074 0.9946 2077337 Maybridge3_004057 CC1(C)Oc2ccc(cc2C=C1)/C(=N/O)/N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I10 compound treatment 0.265 0.0272 1.34 0.256 0.0188 1.03 1.6776 0.9913 2077338 Maybridge3_004058 FC(F)(F)c1ccc(nc1)N2CCC(CC2)C(=O)Oc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I11 compound treatment 0.257 0.0192 0.95 0.256 0.0188 1.03 1.3983 0.9992 2077339 Maybridge3_004059 C(SCc1ccc2nonc2c1)c3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I12 compound treatment 0.25 0.0122 0.6 0.259 0.0218 1.19 1.2701 0.95 2077340 Maybridge3_004060 O=S(=O)(/C(=C/c1c[nH]cn1)/C#N)c2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I13 compound treatment 0.253 0.0152 0.75 0.259 0.0218 1.19 1.3749 0.9751 1742782 Maybridge3_004061 CC(C)(C)C(=O)NCC1COc2ccccc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I14 compound treatment 0.25 0.0122 0.6 0.251 0.0138 0.75 0.96 0.9938 1581992 Maybridge3_004062 COc1ccc(OC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I15 compound treatment 0.29 0.0522 2.58 0.277 0.0398 2.18 3.3647 0.9965 2077341 Maybridge3_004063 Clc1ccc(CSc2nc3CSCc3c(=O)[nH]2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I16 compound treatment 0.252 0.0142 0.7 0.254 0.0168 0.92 1.1461 0.9911 2077342 Maybridge3_004064 O=C1OCc2ccc(NS(=O)(=O)c3ccccc3)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I17 compound treatment 0.239 0.00121 0.06 0.249 0.0118 0.65 0.4983 0.7692 2077343 Maybridge3_004065 Oc1cc(nc2ccc(Br)cc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I18 compound treatment 0.253 0.0152 0.75 0.258 0.0208 1.14 1.3361 0.9796 2077344 Maybridge3_004066 Cn1c(SCCS(=O)(=O)c2ccc(F)cc2)nnc1C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I19 compound treatment 0.26 0.0222 1.1 0.253 0.0158 0.86 1.3867 0.9931 2077345 Maybridge3_004067 CC(C)Oc1cc(nc2ccc(C)cc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I20 compound treatment 0.249 0.0112 0.55 0.255 0.0178 0.97 1.0801 0.9641 1522065 Maybridge3_004068 O=C(N1CCCCC1)c2ccc(C#Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I21 compound treatment 0.253 0.0152 0.75 0.25 0.0128 0.7 1.026 0.9994 1485285 Maybridge3_004069 NC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I22 compound treatment 0.255 0.0172 0.85 0.257 0.0198 1.08 1.3672 0.9927 2077346 Maybridge3_004070 O=C(Nc1ccccc1)c2ncc[nH]2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I23 mock treatment 0.251 0.0132 0.65 0.25 0.0128 0.7 0.9561 0.9994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 I24 mock treatment 0.238 2.07E-4 0.01 0.244 0.00677 0.37 0.2696 0.7263 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J01 compound treatment 0.242 0.00421 0.21 0.248 0.0108 0.59 0.5643 0.9017 1583673 Maybridge3_004071 CSc1nn(cc1C(=O)N2CCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J02 compound treatment 0.243 0.00521 0.26 0.245 0.00777 0.43 0.4829 0.9708 1456490 Maybridge3_004072 OC(=O)C1CN(C1)C(c2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J03 compound treatment 0.275 0.0372 1.84 0.259 0.0218 1.19 2.1431 0.9782 2077347 Maybridge3_004073 C(#Cc1ccc(cc1)c2ccn[nH]2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J04 compound treatment 0.249 0.0112 0.55 0.247 0.00977 0.54 0.77 0.9999 1541332 Maybridge3_004074 O=C(N1CCOCC1)c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J05 compound treatment 0.245 0.00721 0.36 0.255 0.0178 0.97 0.9405 0.9068 2077348 Maybridge3_004075 CCOC(=O)Cc1c(C(=O)OCC)c(C)cn1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J06 compound treatment 0.247 0.00921 0.45 0.252 0.0148 0.81 0.894 0.9628 1477926 Maybridge3_004076 Cn1c(SCC(=O)NCc2ccccc2)nnc1c3ccc4ncccc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J07 compound treatment 0.245 0.00721 0.36 0.249 0.0118 0.65 0.7078 0.9607 2077349 Maybridge3_004077 C/C(=N\O)/c1ccccc1Cl 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J08 compound treatment 0.255 0.0172 0.85 0.252 0.0148 0.81 1.1733 0.9997 2077350 Maybridge3_004078 OCCN1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J09 compound treatment 0.25 0.0122 0.6 0.249 0.0118 0.65 0.8824 0.9994 2077351 Maybridge3_004079 COc1ccc(/C=N/O)cc1OC2CCCC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J10 compound treatment 0.246 0.00821 0.41 0.245 0.00777 0.43 0.5877 0.9997 2077352 Maybridge3_004080 COC(=O)c1ccc(CSc2nnc(c3ccc4ncccc4c3)n2C)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J11 compound treatment 0.249 0.0112 0.55 0.248 0.0108 0.59 0.8088 0.9995 1118471 Maybridge3_004081 Clc1ccc(cc1)C(=O)n2ncc(C#N)c2C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J12 compound treatment 0.253 0.0152 0.75 0.253 0.0158 0.86 1.1423 0.9975 2077353 Maybridge3_004082 OC1CCN(CC1)c2cc(nc3cc(Cl)cc(Cl)c23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J13 compound treatment 0.25 0.0122 0.6 0.255 0.0178 0.97 1.1151 0.9734 1435746 Maybridge3_004083 CCOC(=O)Cc1cc(=O)n2nc(C)cc2[nH]1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J14 compound treatment 0.236 -0.00179 -0.09 0.238 7.67E-4 0.04 -0.0329 -0.3355 2077354 Maybridge3_004084 CC(C)n1c(nc2cc(ccc12)C(=O)NCc3ccncc3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J15 compound treatment 0.248 0.0102 0.5 0.251 0.0138 0.75 0.8901 0.9807 1545156 Maybridge3_004085 Clc1ccc(NC(=O)c2ccc3nonc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J16 compound treatment 0.251 0.0132 0.65 0.253 0.0158 0.86 1.0724 0.9903 2077355 Maybridge3_004086 C1CCN(CC1)c2noc(n2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J17 compound treatment 0.255 0.0172 0.85 0.255 0.0178 0.97 1.2897 0.9977 2077356 Maybridge3_004087 Cn1c(SCc2ccccc2)nnc1c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J18 compound treatment 0.257 0.0192 0.95 0.255 0.0178 0.97 1.3595 0.9999 2077357 Maybridge3_004088 CN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J19 compound treatment 0.252 0.0142 0.7 0.263 0.0258 1.41 1.4951 0.9478 2077358 Maybridge3_004089 FC(F)(F)c1cc(N2CCCC2)c3cccc(Cl)c3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J20 compound treatment 0.268 0.0302 1.49 0.289 0.0518 2.84 3.0618 0.9549 1547868 Maybridge3_004090 Clc1ccc2c(Nc3ccc4OCOc4c3)ccnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J21 compound treatment 0.243 0.00521 0.26 0.248 0.0108 0.59 0.5992 0.9306 1436487 Maybridge3_004091 O=S(=O)(N1CCc2ccccc12)c3cccc4nsnc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J22 compound treatment 0.257 0.0192 0.95 0.257 0.0198 1.08 1.437 0.9978 1712208 Maybridge3_004092 Cc1cc(Nc2ccc(C)c(F)c2)c3ccccc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J23 mock treatment 0.244 0.00621 0.31 0.237 -2.33E-4 -0.01 0.2077 0.677 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 J24 mock treatment 0.235 -0.00279 -0.14 0.238 7.67E-4 0.04 -0.0678 -0.4702 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K01 compound treatment 0.235 -0.00279 -0.14 0.25 0.0128 0.7 0.3974 0.5571 2077359 Maybridge3_004093 N/C(=N/O)/C1COc2ccccc2O1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K02 compound treatment 0.25 0.0122 0.6 0.249 0.0118 0.65 0.8824 0.9994 2077360 Maybridge3_004094 CS(=O)(=O)NCCSc1cc(nc2ccccc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K03 compound treatment 0.248 0.0102 0.5 0.25 0.0128 0.7 0.8514 0.987 1286819 Maybridge3_004095 O=C(Sc1cccs1)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K04 compound treatment 0.296 0.0582 2.87 0.29 0.0528 2.89 4.0783 1.0 2077361 Maybridge3_004096 COC(=O)c1scc2c(Sc3nccn3C)cc(nc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K05 compound treatment 0.252 0.0142 0.7 0.256 0.0188 1.03 1.2237 0.9826 1368806 Maybridge3_004097 Clc1ccccc1c2nc(no2)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K06 compound treatment 0.257 0.0192 0.95 0.259 0.0218 1.19 1.5146 0.9935 1522513 Maybridge3_004098 Cc1[nH]c2ccccc2c1SCc3nnc(SCC(=O)Nc4ccccc4)n3C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K07 compound treatment 0.25 0.0122 0.6 0.252 0.0148 0.81 0.9988 0.9894 1339013 Maybridge3_004099 CN(C)C(=O)c1csc(n1)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K08 compound treatment 0.273 0.0352 1.74 0.268 0.0308 1.69 2.4222 0.9999 2077362 Maybridge3_004100 CCOC(=O)c1ccc(OCC#Cc2ccc(cn2)C(F)(F)F)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K09 compound treatment 0.25 0.0122 0.6 0.25 0.0128 0.7 0.9212 0.9972 1146145 Maybridge3_004101 O=C(Nc1ccccc1)c2ccc3OCCc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K10 compound treatment 0.251 0.0132 0.65 0.254 0.0168 0.92 1.1112 0.9859 1555938 Maybridge3_004102 O=S1(=O)CC(N2CCCCC2)c3ccccc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K11 compound treatment 0.245 0.00721 0.36 0.249 0.0118 0.65 0.7078 0.9607 2077363 Maybridge3_004103 CN(C(=O)c1ccc2OCCc2c1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K12 compound treatment 0.257 0.0192 0.95 0.256 0.0188 1.03 1.3983 0.9992 2077364 Maybridge3_004104 CC(C)S(=O)(=O)/C(=C/c1c[nH]cn1)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K13 compound treatment 0.254 0.0162 0.8 0.26 0.0228 1.25 1.4486 0.9769 2077365 Maybridge3_004105 Nc1ccccc1SCc2ccc3nonc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K14 compound treatment 0.245 0.00721 0.36 0.251 0.0138 0.75 0.7854 0.9411 1460370 Maybridge3_004106 C(#Cc1cncc(c1)c2nc(no2)c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K15 compound treatment 0.348 0.11 5.44 0.347 0.11 6.02 8.1039 0.9987 2077366 Maybridge3_004107 Cn1cc(cc1/C=C(\C#N)/S(=O)(=O)c2cccs2)C(=O)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K16 compound treatment 0.26 0.0222 1.1 0.263 0.0258 1.41 1.7744 0.9922 2077367 Maybridge3_004108 Cn1c(SCC(=O)Nc2ccccc2)nnc1c3cncc(C#Cc4ccccc4)c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K17 compound treatment 0.25 0.0122 0.6 0.253 0.0158 0.86 1.0375 0.9845 2077368 Maybridge3_004109 Cc1cc(C)n2nc(c(Cl)c2n1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K18 compound treatment 0.267 0.0292 1.44 0.262 0.0248 1.36 1.9801 0.9995 2077369 Maybridge3_004110 FC(F)(F)c1ccc(nc1)N2CCC(CC2)n3cccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K19 compound treatment 0.247 0.00921 0.45 0.251 0.0138 0.75 0.8552 0.9706 2077370 Maybridge3_004111 Cn1c(Sc2cccs2)nc(C#N)c1C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K20 compound treatment 0.252 0.0142 0.7 0.26 0.0228 1.25 1.3787 0.9629 1197251 Maybridge3_004112 O=C(N1CCCC1)c2ccc(C#Cc3ccccc3)o2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K21 compound treatment 0.246 0.00821 0.41 0.25 0.0128 0.7 0.7815 0.9662 2077371 Maybridge3_004113 OC(=O)CSc1cc(nc2ccccc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K22 compound treatment 0.252 0.0142 0.7 0.253 0.0158 0.86 1.1074 0.9946 1060162 Maybridge3_004114 O=C1CC2CCCC(C1)N2Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K23 mock treatment 0.249 0.0112 0.55 0.248 0.0108 0.59 0.8088 0.9995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 K24 mock treatment 0.236 -0.00179 -0.09 0.24 0.00277 0.15 0.0447 0.2542 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L01 compound treatment 0.251 0.0132 0.65 0.247 0.00977 0.54 0.8398 0.9952 2077372 Maybridge3_004115 COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L02 compound treatment 0.248 0.0102 0.5 0.25 0.0128 0.7 0.8514 0.987 2077373 Maybridge3_004116 COC(=O)c1ccccc1NC(=O)/C=N/O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L03 compound treatment 0.264 0.0262 1.29 0.258 0.0208 1.14 1.7202 0.998 1421413 Maybridge3_004117 COC(=O)C(Cc1csc2ccc(Cl)cc12)NC(=O)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L04 compound treatment 0.246 0.00821 0.41 0.248 0.0108 0.59 0.704 0.9832 1389033 Maybridge3_004118 COC(=O)c1sccc1NC(=O)c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L05 compound treatment 0.254 0.0162 0.8 0.262 0.0248 1.36 1.5261 0.9682 2077374 Maybridge3_004119 Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L06 compound treatment 0.25 0.0122 0.6 0.254 0.0168 0.92 1.0763 0.9791 2077375 Maybridge3_004120 COC(=O)c1ccc2n(nnc2c1)C(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L07 compound treatment 0.239 0.00121 0.06 0.245 0.00777 0.43 0.3433 0.7983 2077376 Maybridge3_004121 Nc1cc(n[nH]1)c2cccc(c2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L08 compound treatment 0.251 0.0132 0.65 0.251 0.0138 0.75 0.9949 0.9973 1207721 Maybridge3_004122 Cn1nnnc1SCC(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L09 compound treatment 0.281 0.0432 2.13 0.276 0.0388 2.13 3.0117 1.0 2077377 Maybridge3_004123 C/C(=N\O)/c1ccc(C#Cc2ccccc2)s1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L10 compound treatment 0.244 0.00621 0.31 0.248 0.0108 0.59 0.6342 0.9534 2077378 Maybridge3_004124 CSc1nnc(c2ccc3ncccc3c2)n1CC=C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L11 compound treatment 0.256 0.0182 0.9 0.261 0.0238 1.3 1.5572 0.9836 2077379 Maybridge3_004125 O=C(c1cccs1)n2ncc(C#N)c2C3CC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L12 compound treatment 0.253 0.0152 0.75 0.257 0.0198 1.08 1.2974 0.9839 2077380 Maybridge3_004126 FC(F)(F)c1cc(N2CCC(=O)CC2)c3c(Cl)cc(Cl)cc3n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L13 compound treatment 0.258 0.0202 1.0 0.259 0.0218 1.19 1.5495 0.996 1174104 Maybridge3_004127 CCOC(=O)Cc1cc(=O)n2nc(cc2[nH]1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L14 compound treatment 0.247 0.00921 0.45 0.249 0.0118 0.65 0.7777 0.9853 2077381 Maybridge3_004128 CC(C)n1c(nc2cc(ccc12)C(=O)N3CCCCC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L15 compound treatment 0.254 0.0162 0.8 0.256 0.0188 1.03 1.2935 0.9923 1556737 Maybridge3_004129 Clc1ccc(OC(=O)c2ccc3nonc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L16 compound treatment 0.258 0.0202 1.0 0.258 0.0208 1.14 1.5107 0.9978 1225885 Maybridge3_004130 COc1ccc2c(CC(=O)O)coc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L17 compound treatment 0.261 0.0232 1.15 0.261 0.0238 1.3 1.7318 0.9979 1128713 Maybridge3_004131 CSc1nc(N)nc(n1)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L18 compound treatment 0.251 0.0132 0.65 0.251 0.0138 0.75 0.9949 0.9973 1364620 Maybridge3_004132 O=C(NCc1ccc(s1)S(=O)(=O)NCCc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L19 compound treatment 0.255 0.0172 0.85 0.262 0.0248 1.36 1.561 0.9745 1329219 Maybridge3_004133 Clc1ccc(cc1)S(=O)(=O)CCN2CCN(Cc3ccccc3)CC2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L20 compound treatment 0.262 0.0242 1.2 0.281 0.0438 2.4 2.5421 0.9482 1549522 Maybridge3_004134 Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L21 compound treatment 0.248 0.0102 0.5 0.252 0.0148 0.81 0.9289 0.974 1288040 Maybridge3_004135 N#CC1(CCN(Cc2ccccc2)CC1)NCCc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L22 compound treatment 0.246 0.00821 0.41 0.251 0.0138 0.75 0.8203 0.9575 1682067 Maybridge3_004136 O=C(NCc1ccc(s1)S(=O)(=O)NC2CCCCC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L23 mock treatment 0.255 0.0172 0.85 0.25 0.0128 0.7 1.0958 0.9954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 L24 mock treatment 0.229 -0.00879 -0.43 0.245 0.00777 0.43 -0.0059 -0.0097 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M01 compound treatment 0.234 -0.00379 -0.19 0.252 0.0148 0.81 0.4401 0.5295 2077382 Maybridge3_004137 CSC(=C(C#N)C(=O)c1ccoc1C)SC 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M02 compound treatment 0.25 0.0122 0.6 0.244 0.00677 0.37 0.6886 0.9728 2077383 Maybridge3_004138 O=C(OCC#Cc1ccc(s1)c2ccccn2)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M03 compound treatment 0.252 0.0142 0.7 0.254 0.0168 0.92 1.1461 0.9911 1134608 Maybridge3_004139 O=C(Nc1cc(n[nH]1)c2ccccc2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M04 compound treatment 0.253 0.0152 0.75 0.254 0.0168 0.92 1.181 0.995 2077384 Maybridge3_004140 FC(F)(F)c1ccc(Oc2ccc(Br)cc2)nc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M05 compound treatment 0.255 0.0172 0.85 0.258 0.0208 1.14 1.406 0.9896 1601097 Maybridge3_004141 COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M06 compound treatment 0.257 0.0192 0.95 0.255 0.0178 0.97 1.3595 0.9999 1644493 Maybridge3_004142 Clc1ccc(Cn2ccnc2COC(=O)c3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M07 compound treatment 0.251 0.0132 0.65 0.252 0.0148 0.81 1.0337 0.9942 1286518 Maybridge3_004143 O=C(NCc1ccco1)c2csc(n2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M08 compound treatment 0.254 0.0162 0.8 0.255 0.0178 0.97 1.2547 0.9952 2077385 Maybridge3_004144 CC(C)(O)C#Cc1ccc(CO)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M09 compound treatment 0.254 0.0162 0.8 0.254 0.0168 0.92 1.216 0.9976 2077386 Maybridge3_004145 CNC(=O)c1ccc2OCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M10 compound treatment 0.259 0.0212 1.05 0.258 0.0208 1.14 1.5456 0.9991 1677679 Maybridge3_004146 Clc1ccc(s1)S(=O)(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M11 compound treatment 0.252 0.0142 0.7 0.249 0.0118 0.65 0.9523 0.9991 1430746 Maybridge3_004147 CN(C)CC1COc2ccccc2C1=O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M12 compound treatment 0.245 0.00721 0.36 0.246 0.00877 0.48 0.5915 0.9891 2077387 Maybridge3_004148 Clc1ccc(cc1)S(=O)(=O)/C(=C/c2c[nH]cn2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M13 compound treatment 0.267 0.0292 1.44 0.267 0.0298 1.63 2.1739 0.9981 1167106 Maybridge3_004149 Brc1cc2CCOc2c(c1)C(=O)Nc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M14 compound treatment 0.249 0.0112 0.55 0.248 0.0108 0.59 0.8088 0.9995 2077388 Maybridge3_004150 CN(C)CC#Cc1cncc(C#N)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M15 compound treatment 0.249 0.0112 0.55 0.253 0.0158 0.86 1.0026 0.9768 1276171 Maybridge3_004151 N#Cc1ccc(OCc2ccc3nonc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M16 compound treatment 0.257 0.0192 0.95 0.268 0.0308 1.69 1.8635 0.9629 2077389 Maybridge3_004152 O=C(Sc1cccs1)c2cncc(C#Cc3ccccc3)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M17 compound treatment 0.256 0.0182 0.9 0.258 0.0208 1.14 1.4409 0.9932 2077390 Maybridge3_004153 O=C(Sc1ccccc1)c2ccc3ncsc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M18 compound treatment 0.248 0.0102 0.5 0.258 0.0208 1.14 1.1615 0.9328 2077391 Maybridge3_004154 Fc1ccc(cc1)S(=O)(=O)CCSc2cccs2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M19 compound treatment 0.247 0.00921 0.45 0.249 0.0118 0.65 0.7777 0.9853 2077392 Maybridge3_004155 Cn1c(CC2Sc3ccccc3NC2=O)nnc1SCC(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M20 compound treatment 0.246 0.00821 0.41 0.258 0.0208 1.14 1.0917 0.9033 2077393 Maybridge3_004156 COC(=O)CSCC1=CS(=O)(=O)c2ccc(Cl)cc12 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M21 compound treatment 0.25 0.0122 0.6 0.259 0.0218 1.19 1.2701 0.95 1387055 Maybridge3_004157 Cc1ncn2cc([nH]c(=O)c12)c3ccc(Cl)cc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M22 compound treatment 0.252 0.0142 0.7 0.249 0.0118 0.65 0.9523 0.9991 1682804 Maybridge3_004158 ON=C1CC2CCCC(C1)N2Cc3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M23 mock treatment 0.245 0.00721 0.36 0.243 0.00577 0.32 0.4752 0.9983 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 M24 mock treatment 0.226 -0.0118 -0.58 0.245 0.00777 0.43 -0.1107 -0.1534 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N01 compound treatment 0.208 -0.0298 -1.47 0.211 -0.0262 -1.44 -2.0574 -0.9999 2077394 Maybridge3_004159 CS(=O)(=O)N1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N02 compound treatment 0.238 2.07E-4 0.01 0.237 -2.33E-4 -0.01 -0.0018 -0.1113 1276474 Maybridge3_004160 O=C(Nc1ccccc1)c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N03 compound treatment 0.244 0.00621 0.31 0.247 0.00977 0.54 0.5954 0.9649 2077395 Maybridge3_004161 CC(=O)n1ccc(n1)c2ccc(C#Cc3ccccc3)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N04 compound treatment 0.246 0.00821 0.41 0.243 0.00577 0.32 0.5101 0.9925 1515408 Maybridge3_004162 Clc1ccc(cc1)C(=O)N2CCC(CC2)n3nnc4ccccc34 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N05 compound treatment 0.253 0.0152 0.75 0.257 0.0198 1.08 1.2974 0.9839 2077396 Maybridge3_004163 c1ccc(cc1)c2cc3ccccc3nn2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N06 compound treatment 0.253 0.0152 0.75 0.26 0.0228 1.25 1.4137 0.9704 1203539 Maybridge3_004164 COc1ccc(cc1OC)C(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N07 compound treatment 0.25 0.0122 0.6 0.246 0.00877 0.48 0.7661 0.9937 1329343 Maybridge3_004165 CC(=O)NC(=O)c1cnn(c1N)c2ccccc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N08 compound treatment 0.252 0.0142 0.7 0.248 0.0108 0.59 0.9135 0.9963 1485969 Maybridge3_004166 Cn1ccnc1SCC(=O)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N09 compound treatment 0.247 0.00921 0.45 0.243 0.00577 0.32 0.5451 0.9842 2077397 Maybridge3_004167 COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C2CCc3ccccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N10 compound treatment 0.244 0.00621 0.31 0.245 0.00777 0.43 0.5178 0.987 2077398 Maybridge3_004168 Cn1c(SCC#N)nnc1c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N11 compound treatment 0.245 0.00721 0.36 0.247 0.00977 0.54 0.6303 0.9803 1461212 Maybridge3_004169 CSc1sc(C(=O)O)c(C)c1C(C)O 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N12 compound treatment 0.245 0.00721 0.36 0.246 0.00877 0.48 0.5915 0.9891 2077399 Maybridge3_004170 Fc1ccc2nc(cc(N3CCOCC3)c2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N13 compound treatment 0.254 0.0162 0.8 0.256 0.0188 1.03 1.2935 0.9923 2077400 Maybridge3_004171 FC(F)(F)c1cc(nc2cc(nn12)c3ccccc3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N14 compound treatment 0.243 0.00521 0.26 0.244 0.00677 0.37 0.4442 0.984 2077401 Maybridge3_004172 CC(C)n1c(nc2cc(ccc12)C(=O)N3CCC(O)CC3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N15 compound treatment 0.247 0.00921 0.45 0.253 0.0158 0.86 0.9328 0.955 1710980 Maybridge3_004173 COc1ccc(OC(=O)c2ccc3nonc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N16 compound treatment 0.256 0.0182 0.9 0.257 0.0198 1.08 1.4021 0.9957 2077402 Maybridge3_004174 CCc1ccc2[nH]c(cc2c1)C(=O)NCCN3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N17 compound treatment 0.254 0.0162 0.8 0.253 0.0158 0.86 1.1772 0.9993 1579669 Maybridge3_004175 Nc1nc(ncc1C#N)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N18 compound treatment 0.246 0.00821 0.41 0.257 0.0198 1.08 1.0529 0.91 1418287 Maybridge3_004176 Clc1ccc2c(Nc3ccccc3)ccnc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N19 compound treatment 0.245 0.00721 0.36 0.25 0.0128 0.7 0.7466 0.9508 1622980 Maybridge3_004177 Brc1ccc(s1)S(=O)(=O)N2CCN(CC2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N20 compound treatment 0.245 0.00721 0.36 0.248 0.0108 0.59 0.6691 0.9706 1739946 Maybridge3_004178 Clc1ccc2c(ccnc2c1)N3CCN(CC3)C(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N21 compound treatment 0.243 0.00521 0.26 0.242 0.00477 0.26 0.3666 1.0 2077403 Maybridge3_004179 Cc1cc(Nc2cc(nc3c(Cl)cccc23)C(F)(F)F)on1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N22 compound treatment 0.251 0.0132 0.65 0.25 0.0128 0.7 0.9561 0.9994 1374568 Maybridge3_004180 CCC(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N23 mock treatment 0.245 0.00721 0.36 0.245 0.00777 0.43 0.5528 0.996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 N24 mock treatment 0.245 0.00721 0.36 0.23 -0.00723 -0.4 -0.0288 -0.054 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O01 compound treatment 0.221 -0.0168 -0.83 0.214 -0.0232 -1.27 -1.4871 -0.9784 2077404 Maybridge3_004181 O=S(=O)(Nc1cccc2nsnc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O02 compound treatment 0.246 0.00821 0.41 0.245 0.00777 0.43 0.5877 0.9997 2077405 Maybridge3_004182 Clc1cccc(NC(=O)OCC#Cc2ccc(s2)c3ccccn3)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O03 compound treatment 0.238 2.07E-4 0.01 0.239 0.00177 0.1 0.0757 0.7774 1586200 Maybridge3_004183 CC(C)(C)c1cc(NC(=O)C2COc3ccccc3O2)[nH]n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O04 compound treatment 0.263 0.0252 1.24 0.265 0.0278 1.52 1.9567 0.995 2077406 Maybridge3_004184 COC(=O)c1scc2c(cc(nc12)C(F)(F)F)N3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O05 compound treatment 0.245 0.00721 0.36 0.251 0.0138 0.75 0.7854 0.9411 1200852 Maybridge3_004185 OC(=O)c1csc(n1)C2COc3ccccc3O2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O06 compound treatment 0.247 0.00921 0.45 0.252 0.0148 0.81 0.894 0.9628 1252194 Maybridge3_004186 Clc1ccc(Cn2ccnc2COC(=O)Nc3ccccc3)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O07 compound treatment 0.267 0.0292 1.44 0.277 0.0398 2.18 2.5616 0.9799 1603073 Maybridge3_004187 O=C(SCc1ccco1)c2csc(n2)C3COc4ccccc4O3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O08 compound treatment 0.254 0.0162 0.8 0.254 0.0168 0.92 1.216 0.9976 1365631 Maybridge3_004188 O=S1(=O)CC(Sc2ccccc2)c3ccccc31 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O09 compound treatment 0.246 0.00821 0.41 0.247 0.00977 0.54 0.6652 0.9906 1337081 Maybridge3_004189 CC(C)(C)NC(=O)c1ccc2OCCc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O10 compound treatment 0.237 -7.93E-4 -0.04 0.247 0.00977 0.54 0.351 0.6536 1676570 Maybridge3_004190 CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccccc2)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O11 compound treatment 0.243 0.00521 0.26 0.245 0.00777 0.43 0.4829 0.9708 2077407 Maybridge3_004191 CSc1ncc(c2nnc(SCc3ccccc3)n2C)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O12 compound treatment 0.245 0.00721 0.36 0.242 0.00477 0.26 0.4365 0.9885 2077408 Maybridge3_004192 CCOC(=O)c1cncc(C#CCOC(=O)Nc2ccccc2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O13 compound treatment 0.252 0.0142 0.7 0.251 0.0138 0.75 1.0298 0.9993 2077409 Maybridge3_004193 CN(C)C(=O)c1cc(Br)cc2CCOc21 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O14 compound treatment 0.249 0.0112 0.55 0.246 0.00877 0.48 0.7312 0.9975 2077410 Maybridge3_004194 C/S(=N\S(=O)(=O)c1cccc2nsnc12)/c3ccc(cn3)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O15 compound treatment 0.243 0.00521 0.26 0.247 0.00977 0.54 0.5605 0.9435 1347374 Maybridge3_004195 Cc1c(ncn1Cc2ccc(Cl)cc2)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O16 compound treatment 0.255 0.0172 0.85 0.261 0.0238 1.3 1.5223 0.9785 2077411 Maybridge3_004196 Clc1ccc(cc1)S(=O)(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)/C#N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O17 compound treatment 0.25 0.0122 0.6 0.245 0.00777 0.43 0.7274 0.9855 2077412 Maybridge3_004197 CN(C)C(=O)c1ccc2ncsc2c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O18 compound treatment 0.245 0.00721 0.36 0.252 0.0148 0.81 0.8242 0.9319 1389063 Maybridge3_004198 NC(=O)C1CCN(CCO)CC1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O19 compound treatment 0.24 0.00221 0.11 0.245 0.00777 0.43 0.3782 0.8603 2077413 Maybridge3_004199 CN(C)CCOc1cc(nc2ccc(C)cc12)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O20 compound treatment 0.252 0.0142 0.7 0.259 0.0218 1.19 1.34 0.9679 2077414 Maybridge3_004200 Clc1ccc2c(c1)C(=CS2(=O)=O)CSc3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O21 compound treatment 0.239 0.00121 0.06 0.242 0.00477 0.26 0.2269 0.8466 2077415 Maybridge3_004201 CC(C)NC(=O)CSc1nnc(CSc2cc(nc3ccccc23)C(F)(F)F)n1C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O22 compound treatment 0.246 0.00821 0.41 0.253 0.0158 0.86 0.8978 0.9404 2077416 Maybridge3_004202 CSc1nn(cc1C(=O)Nc2ccccc2)c3ccccc3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O23 mock treatment 0.243 0.00521 0.26 0.244 0.00677 0.37 0.4442 0.984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 O24 mock treatment 0.202 -0.0358 -1.77 0.211 -0.0262 -1.44 -2.2669 -0.9948 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P01 compound treatment 0.202 -0.0358 -1.77 0.196 -0.0412 -2.26 -2.8485 -0.9926 1584127 Maybridge3_004203 CCOC(=O)C1=C(NC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)C(C)(C)C 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P02 compound treatment 0.226 -0.0118 -0.58 0.229 -0.00823 -0.45 -0.731 -0.9921 1515716 Maybridge3_004204 COc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P03 compound treatment 0.239 0.00121 0.06 0.244 0.00677 0.37 0.3045 0.8103 2077417 Maybridge3_004205 FC(F)(F)Oc1ccc(CC2SC(=N)NC2=O)cc1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P04 compound treatment 0.233 -0.00479 -0.24 0.24 0.00277 0.15 -0.0601 -0.2138 2077418 Maybridge3_004206 COc1ccc(cc1)c2cc(n3nccc3n2)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P05 compound treatment 0.21 -0.0278 -1.37 0.22 -0.0172 -0.94 -1.6386 -0.9834 1126864 Maybridge3_004207 OC(=O)c1c(nnc2ccccc12)c3cccs3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P06 compound treatment 0.215 -0.0228 -1.13 0.217 -0.0202 -1.11 -1.5803 -1.0 1447911 Maybridge3_004208 O=C(NC1Cc2ccccc2C1)c3ccc4nonc4c3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P07 compound treatment 0.229 -0.00879 -0.43 0.215 -0.0222 -1.22 -1.169 -0.9034 2077419 Maybridge3_004209 CCCN(Cc1ccco1)S(=O)(=O)c2ccc(OC)c(OC)c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P08 compound treatment 0.237 -7.93E-4 -0.04 0.226 -0.0112 -0.62 -0.4632 -0.7506 1328406 Maybridge3_004210 O=C(CSC1=NCCS1)NC2Cc3ccccc3C2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P09 compound treatment 0.227 -0.0108 -0.53 0.221 -0.0162 -0.89 -1.0062 -0.9699 2077420 Maybridge3_004211 COc1ccc(cc1OC2CCCC2)S(=O)(=O)NCc3ccco3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P10 compound treatment 0.22 -0.0178 -0.88 0.226 -0.0112 -0.62 -1.0568 -0.9849 2077421 Maybridge3_004212 C=CCn1c(SCC#N)nnc1c2ccc3ncccc3c2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P11 compound treatment 0.232 -0.00579 -0.29 0.231 -0.00623 -0.34 -0.444 -0.9961 1510724 Maybridge3_004213 OC(=O)CCN(Cc1ccco1)S(=O)(=O)c2ccc(Cl)cc2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P12 compound treatment 0.223 -0.0148 -0.73 0.231 -0.00623 -0.34 -0.7582 -0.9401 2077422 Maybridge3_004214 CCOC(=O)c1ccc2nc(cc(N3CCN(C)CC3)c2c1)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P13 compound treatment 0.225 -0.0128 -0.63 0.234 -0.00323 -0.18 -0.5721 -0.8719 2077423 Maybridge3_004215 FC(F)(F)c1cc(nc2cc(nn12)C3CC3)c4ccccn4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P14 compound treatment 0.228 -0.00979 -0.48 0.239 0.00177 0.1 -0.2735 -0.5545 1372489 Maybridge3_004216 CN1CCN(CC1)S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P15 compound treatment 0.228 -0.00979 -0.48 0.239 0.00177 0.1 -0.2735 -0.5545 2077424 Maybridge3_004217 FC(F)(F)c1cccc(OC(=O)c2ccc3nonc3c2)c1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P16 compound treatment 0.243 0.00521 0.26 0.246 0.00877 0.48 0.5217 0.957 1348162 Maybridge3_004218 Cc1cc(C)c2cc([nH]c2c1)C(=O)NCCN3CCCCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P17 compound treatment 0.244 0.00621 0.31 0.242 0.00477 0.26 0.4015 0.9969 2077425 Maybridge3_004219 FC(F)(F)c1cc(no1)c2ccc(s2)S(=O)(=O)N3CCOCC3 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P18 compound treatment 0.24 0.00221 0.11 0.249 0.0118 0.65 0.5333 0.815 1553305 Maybridge3_004220 Clc1ccc2c(ccnc2c1)N3CCN(CC3)S(=O)(=O)c4ccccc4 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P19 compound treatment 0.221 -0.0168 -0.83 0.229 -0.00823 -0.45 -0.9056 -0.9591 2077426 Maybridge3_004221 CCOC(=O)C1CCN(CC1)c2cc(nc3ccccc23)C(F)(F)F 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P20 compound treatment 0.226 -0.0118 -0.58 0.235 -0.00223 -0.12 -0.4984 -0.8375 1155426 Maybridge3_004222 CC(=O)N1CCN(CC1)c2ccnc3cc(Cl)ccc23 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P21 compound treatment 0.215 -0.0228 -1.13 0.219 -0.0182 -1.0 -1.5028 -0.9983 1324782 Maybridge3_004223 COc1ccc(cc1OC(C)C)C(=O)N 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P22 compound treatment 0.212 -0.0258 -1.27 0.214 -0.0232 -1.27 -1.8014 -1.0 2077427 Maybridge3_004224 FC(F)(F)c1cc(N2CCN(CC2)C(=O)Cc3ccccc3)c4ccccc4n1 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P23 mock treatment 0.218 -0.0198 -0.98 0.233 -0.00423 -0.23 -0.8553 -0.8514 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.1442 P24 mock treatment 0.187 -0.0508 -2.51 0.196 -0.0412 -2.26 -3.3722 -0.9987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A01 mock treatment 0.185 -0.0602 -2.97 0.191 -0.057 -3.13 -4.3137 -0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A02 mock treatment 0.189 -0.0562 -2.78 0.239 -0.00902 -0.49 -2.3131 -0.8201 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A03 mock treatment 0.214 -0.0312 -1.54 0.245 -0.00302 -0.17 -1.2075 -0.7785 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A04 mock treatment 0.219 -0.0262 -1.3 0.23 -0.018 -0.99 -1.6145 -0.991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A05 mock treatment 0.213 -0.0322 -1.59 0.232 -0.016 -0.88 -1.7464 -0.9607 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A06 mock treatment 0.207 -0.0382 -1.89 0.242 -0.00602 -0.33 -1.5683 -0.8182 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A07 mock treatment 0.216 -0.0292 -1.44 0.247 -0.00102 -0.06 -1.0601 -0.7338 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A08 mock treatment 0.222 -0.0232 -1.15 0.244 -0.00402 -0.22 -0.9669 -0.8277 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A09 mock treatment 0.218 -0.0272 -1.34 0.238 -0.01 -0.55 -1.3392 -0.922 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A10 mock treatment 0.22 -0.0252 -1.25 0.24 -0.00802 -0.44 -1.1919 -0.902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A11 mock treatment 0.226 -0.0192 -0.95 0.234 -0.014 -0.77 -1.215 -0.9945 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A12 mock treatment 0.237 -0.00823 -0.41 0.247 -0.00102 -0.06 -0.3269 -0.7965 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A13 mock treatment 0.242 -0.00323 -0.16 0.248 -1.57E-5 0.0 -0.1135 -0.7109 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A14 mock treatment 0.224 -0.0212 -1.05 0.242 -0.00602 -0.33 -0.9746 -0.8867 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A15 mock treatment 0.236 -0.00923 -0.46 0.238 -0.01 -0.55 -0.7107 -0.9957 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A16 mock treatment 0.215 -0.0302 -1.49 0.241 -0.00702 -0.38 -1.3277 -0.8612 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A17 mock treatment 0.224 -0.0212 -1.05 0.229 -0.019 -1.04 -1.4787 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A18 mock treatment 0.212 -0.0332 -1.64 0.241 -0.00702 -0.38 -1.4324 -0.8498 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A19 mock treatment 0.222 -0.0232 -1.15 0.232 -0.016 -0.88 -1.4322 -0.9913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A20 mock treatment 0.219 -0.0262 -1.3 0.229 -0.019 -1.04 -1.6533 -0.9942 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A21 mock treatment 0.223 -0.0222 -1.1 0.225 -0.023 -1.26 -1.6687 -0.9976 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A22 mock treatment 0.206 -0.0392 -1.94 0.232 -0.016 -0.88 -1.9909 -0.936 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A23 mock treatment 0.195 -0.0502 -2.48 0.236 -0.012 -0.66 -2.2199 -0.8649 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base A24 mock treatment 0.212 -0.0332 -1.64 0.191 -0.057 -3.13 -3.371 -0.9547 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B01 mock treatment 0.206 -0.0392 -1.94 0.227 -0.021 -1.15 -2.1847 -0.9692 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B02 mock treatment 0.225 -0.0202 -1.0 0.241 -0.00702 -0.38 -0.9785 -0.9139 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B03 mock treatment 0.251 0.00577 0.28 0.254 0.00598 0.33 0.4334 0.9975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B04 mock treatment 0.252 0.00677 0.33 0.252 0.00398 0.22 0.3908 0.9788 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B05 mock treatment 0.256 0.0108 0.53 0.256 0.00798 0.44 0.6855 0.9953 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B06 mock treatment 0.253 0.00777 0.38 0.249 9.84E-4 0.05 0.3094 0.7987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B07 mock treatment 0.241 -0.00423 -0.21 0.254 0.00598 0.33 0.0842 0.2164 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B08 mock treatment 0.255 0.00977 0.48 0.259 0.011 0.6 0.7669 0.9939 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B09 mock treatment 0.261 0.0158 0.78 0.26 0.012 0.66 1.0152 0.9964 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B10 mock treatment 0.242 -0.00323 -0.16 0.251 0.00298 0.16 0.0028 0.0123 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B11 mock treatment 0.258 0.0128 0.63 0.252 0.00398 0.22 0.6003 0.8996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B12 mock treatment 0.251 0.00577 0.28 0.251 0.00298 0.16 0.3171 0.9654 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B13 mock treatment 0.262 0.0168 0.83 0.261 0.013 0.71 1.0889 0.9972 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B14 mock treatment 0.25 0.00477 0.24 0.252 0.00398 0.22 0.3209 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B15 mock treatment 0.255 0.00977 0.48 0.253 0.00498 0.27 0.5343 0.9638 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B16 mock treatment 0.257 0.0118 0.58 0.258 0.00998 0.55 0.798 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B17 mock treatment 0.256 0.0108 0.53 0.264 0.016 0.88 0.9957 0.9713 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B18 mock treatment 0.254 0.00877 0.43 0.252 0.00398 0.22 0.4606 0.9498 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B19 mock treatment 0.255 0.00977 0.48 0.252 0.00398 0.22 0.4955 0.9359 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B20 mock treatment 0.25 0.00477 0.24 0.249 9.84E-4 0.05 0.2046 0.8472 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B21 mock treatment 0.256 0.0108 0.53 0.254 0.00598 0.33 0.608 0.9731 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B22 mock treatment 0.249 0.00377 0.19 0.247 -0.00102 -0.06 0.0922 0.4746 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B23 mock treatment 0.251 0.00577 0.28 0.254 0.00598 0.33 0.4334 0.9975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base B24 mock treatment 0.258 0.0128 0.63 0.237 -0.011 -0.6 0.0187 0.0214 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C01 mock treatment 0.209 -0.0362 -1.79 0.227 -0.021 -1.15 -2.08 -0.9773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C02 mock treatment 0.227 -0.0182 -0.9 0.233 -0.015 -0.82 -1.2188 -0.999 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C03 mock treatment 0.236 -0.00923 -0.46 0.234 -0.014 -0.77 -0.8658 -0.9689 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C04 mock treatment 0.223 -0.0222 -1.1 0.241 -0.00702 -0.38 -1.0483 -0.9011 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C05 mock treatment 0.241 -0.00423 -0.21 0.238 -0.01 -0.55 -0.5361 -0.9124 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C06 mock treatment 0.239 -0.00623 -0.31 0.238 -0.01 -0.55 -0.606 -0.9626 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C07 mock treatment 0.238 -0.00723 -0.36 0.238 -0.01 -0.55 -0.6409 -0.9783 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C08 mock treatment 0.254 0.00877 0.43 0.25 0.00198 0.11 0.3831 0.8581 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C09 mock treatment 0.245 -2.33E-4 -0.01 0.244 -0.00402 -0.22 -0.1638 -0.7431 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C10 mock treatment 0.243 -0.00223 -0.11 0.239 -0.00902 -0.49 -0.4275 -0.8441 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C11 mock treatment 0.24 -0.00523 -0.26 0.235 -0.013 -0.71 -0.6874 -0.9056 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C12 mock treatment 0.238 -0.00723 -0.36 0.242 -0.00602 -0.33 -0.4858 -0.9992 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C13 mock treatment 0.241 -0.00423 -0.21 0.24 -0.00802 -0.44 -0.4586 -0.9423 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C14 mock treatment 0.242 -0.00323 -0.16 0.24 -0.00802 -0.44 -0.4237 -0.906 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C15 mock treatment 0.236 -0.00923 -0.46 0.238 -0.01 -0.55 -0.7107 -0.9957 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C16 mock treatment 0.236 -0.00923 -0.46 0.241 -0.00702 -0.38 -0.5944 -0.9964 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C17 mock treatment 0.248 0.00277 0.14 0.247 -0.00102 -0.06 0.0572 0.3879 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C18 mock treatment 0.263 0.0178 0.88 0.247 -0.00102 -0.06 0.581 0.6609 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C19 mock treatment 0.244 -0.00123 -0.06 0.242 -0.00602 -0.33 -0.2763 -0.8237 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C20 mock treatment 0.247 0.00177 0.09 0.238 -0.01 -0.55 -0.3266 -0.5874 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C21 mock treatment 0.237 -0.00823 -0.41 0.236 -0.012 -0.66 -0.7533 -0.9731 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C22 mock treatment 0.234 -0.0112 -0.55 0.24 -0.00802 -0.44 -0.703 -0.9934 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C23 mock treatment 0.221 -0.0242 -1.2 0.237 -0.011 -0.6 -1.2733 -0.9499 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base C24 mock treatment 0.201 -0.0442 -2.18 0.227 -0.021 -1.15 -2.3593 -0.9553 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D01 mock treatment 0.223 -0.0222 -1.1 0.253 0.00498 0.27 -0.5831 -0.5154 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D02 mock treatment 0.24 -0.00523 -0.26 0.25 0.00198 0.11 -0.1058 -0.3773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D03 mock treatment 0.239 -0.00623 -0.31 0.258 0.00998 0.55 0.1695 0.2698 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D04 mock treatment 0.244 -0.00123 -0.06 0.246 -0.00202 -0.11 -0.1212 -0.9605 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D05 mock treatment 0.236 -0.00923 -0.46 0.253 0.00498 0.27 -0.1292 -0.243 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D06 mock treatment 0.248 0.00277 0.14 0.254 0.00598 0.33 0.3286 0.9246 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D07 mock treatment 0.25 0.00477 0.24 0.253 0.00498 0.27 0.3597 0.9972 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D08 mock treatment 0.252 0.00677 0.33 0.254 0.00598 0.33 0.4683 1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D09 mock treatment 0.246 7.67E-4 0.04 0.25 0.00198 0.11 0.1037 0.9003 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D10 mock treatment 0.239 -0.00623 -0.31 0.244 -0.00402 -0.22 -0.3733 -0.9865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D11 mock treatment 0.244 -0.00123 -0.06 0.248 -1.57E-5 0.0 -0.0437 -0.717 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D12 mock treatment 0.24 -0.00523 -0.26 0.246 -0.00202 -0.11 -0.2609 -0.9282 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D13 mock treatment 0.249 0.00377 0.19 0.255 0.00698 0.38 0.4023 0.945 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D14 mock treatment 0.243 -0.00223 -0.11 0.245 -0.00302 -0.17 -0.1949 -0.9806 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D15 mock treatment 0.25 0.00477 0.24 0.247 -0.00102 -0.06 0.1271 0.5253 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D16 mock treatment 0.254 0.00877 0.43 0.249 9.84E-4 0.05 0.3443 0.7891 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D17 mock treatment 0.259 0.0138 0.68 0.255 0.00698 0.38 0.7515 0.9631 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D18 mock treatment 0.254 0.00877 0.43 0.254 0.00598 0.33 0.5381 0.9907 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D19 mock treatment 0.261 0.0158 0.78 0.249 9.84E-4 0.05 0.5887 0.7543 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D20 mock treatment 0.256 0.0108 0.53 0.249 9.84E-4 0.05 0.4141 0.7749 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D21 mock treatment 0.252 0.00677 0.33 0.247 -0.00102 -0.06 0.1969 0.5812 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D22 mock treatment 0.248 0.00277 0.14 0.248 -1.57E-5 0.0 0.096 0.7026 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D23 mock treatment 0.247 0.00177 0.09 0.248 -1.57E-5 0.0 0.0611 0.7001 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base D24 mock treatment 0.218 -0.0272 -1.34 0.242 -0.00602 -0.33 -1.1842 -0.8552 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E01 mock treatment 0.241 -0.00423 -0.21 0.245 -0.00302 -0.17 -0.2647 -0.9933 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E02 mock treatment 0.246 7.67E-4 0.04 0.254 0.00598 0.33 0.2588 0.7835 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E03 mock treatment 0.248 0.00277 0.14 0.251 0.00298 0.16 0.2123 0.996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E04 mock treatment 0.253 0.00777 0.38 0.25 0.00198 0.11 0.3481 0.8732 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E05 mock treatment 0.248 0.00277 0.14 0.247 -0.00102 -0.06 0.0572 0.3879 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E06 mock treatment 0.252 0.00677 0.33 0.245 -0.00302 -0.17 0.1194 0.3202 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E07 mock treatment 0.259 0.0138 0.68 0.25 0.00198 0.11 0.5576 0.81 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E08 mock treatment 0.263 0.0178 0.88 0.264 0.016 0.88 1.2401 1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E09 mock treatment 0.258 0.0128 0.63 0.253 0.00498 0.27 0.639 0.93 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E10 mock treatment 0.254 0.00877 0.43 0.253 0.00498 0.27 0.4994 0.9754 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E11 mock treatment 0.245 -2.33E-4 -0.01 0.244 -0.00402 -0.22 -0.1638 -0.7431 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E12 mock treatment 0.253 0.00777 0.38 0.252 0.00398 0.22 0.4257 0.9644 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E13 mock treatment 0.256 0.0108 0.53 0.255 0.00698 0.38 0.6467 0.987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E14 mock treatment 0.249 0.00377 0.19 0.249 9.84E-4 0.05 0.1697 0.8761 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E15 mock treatment 0.257 0.0118 0.58 0.253 0.00498 0.27 0.6041 0.9408 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E16 mock treatment 0.252 0.00677 0.33 0.251 0.00298 0.16 0.352 0.946 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E17 mock treatment 0.26 0.0148 0.73 0.255 0.00698 0.38 0.7864 0.9548 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E18 mock treatment 0.257 0.0118 0.58 0.259 0.011 0.6 0.8367 0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E19 mock treatment 0.255 0.00977 0.48 0.248 -1.57E-5 0.0 0.3404 0.7058 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E20 mock treatment 0.251 0.00577 0.28 0.249 9.84E-4 0.05 0.2395 0.8264 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E21 mock treatment 0.253 0.00777 0.38 0.248 -1.57E-5 0.0 0.2706 0.7055 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E22 mock treatment 0.25 0.00477 0.24 0.248 -1.57E-5 0.0 0.1658 0.7045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E23 mock treatment 0.248 0.00277 0.14 0.245 -0.00302 -0.17 -0.0203 -0.0947 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base E24 mock treatment 0.229 -0.0162 -0.8 0.248 -1.57E-5 0.0 -0.5674 -0.7079 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F01 mock treatment 0.234 -0.0112 -0.55 0.243 -0.00502 -0.28 -0.5867 -0.9476 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F02 mock treatment 0.242 -0.00323 -0.16 0.252 0.00398 0.22 0.0416 0.1537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F03 mock treatment 0.246 7.67E-4 0.04 0.257 0.00898 0.49 0.3751 0.7592 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F04 mock treatment 0.249 0.00377 0.19 0.25 0.00198 0.11 0.2085 0.9674 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F05 mock treatment 0.245 -2.33E-4 -0.01 0.258 0.00998 0.55 0.379 0.6921 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F06 mock treatment 0.246 7.67E-4 0.04 0.25 0.00198 0.11 0.1037 0.9003 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F07 mock treatment 0.255 0.00977 0.48 0.255 0.00698 0.38 0.6118 0.9935 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F08 mock treatment 0.262 0.0168 0.83 0.264 0.016 0.88 1.2052 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F09 mock treatment 0.268 0.0228 1.12 0.255 0.00698 0.38 1.0658 0.8973 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F10 mock treatment 0.284 0.0388 1.91 0.258 0.00998 0.55 1.7408 0.8743 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F11 mock treatment 0.288 0.0428 2.11 0.252 0.00398 0.22 1.6478 0.7761 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F12 mock treatment 0.256 0.0108 0.53 0.256 0.00798 0.44 0.6855 0.9953 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F13 mock treatment 0.264 0.0188 0.93 0.264 0.016 0.88 1.275 0.9996 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F14 mock treatment 0.26 0.0148 0.73 0.252 0.00398 0.22 0.6701 0.8803 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F15 mock treatment 0.28 0.0348 1.72 0.256 0.00798 0.44 1.5235 0.8599 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F16 mock treatment 0.267 0.0218 1.07 0.256 0.00798 0.44 1.0696 0.9216 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F17 mock treatment 0.259 0.0138 0.68 0.265 0.017 0.93 1.1392 0.988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F18 mock treatment 0.254 0.00877 0.43 0.254 0.00598 0.33 0.5381 0.9907 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F19 mock treatment 0.26 0.0148 0.73 0.26 0.012 0.66 0.9803 0.9986 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F20 mock treatment 0.251 0.00577 0.28 0.254 0.00598 0.33 0.4334 0.9975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F21 mock treatment 0.241 -0.00423 -0.21 0.254 0.00598 0.33 0.0842 0.2164 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F22 mock treatment 0.251 0.00577 0.28 0.25 0.00198 0.11 0.2783 0.9129 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F23 mock treatment 0.265 0.0198 0.98 0.257 0.00898 0.49 1.0385 0.9499 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base F24 mock treatment 0.227 -0.0182 -0.9 0.25 0.00198 0.11 -0.5597 -0.6172 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G01 mock treatment 0.235 -0.0102 -0.51 0.245 -0.00302 -0.17 -0.4742 -0.8919 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G02 mock treatment 0.235 -0.0102 -0.51 0.247 -0.00102 -0.06 -0.3967 -0.7803 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G03 mock treatment 0.244 -0.00123 -0.06 0.245 -0.00302 -0.17 -0.16 -0.9079 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G04 mock treatment 0.241 -0.00423 -0.21 0.254 0.00598 0.33 0.0842 0.2164 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G05 mock treatment 0.239 -0.00623 -0.31 0.243 -0.00502 -0.28 -0.4121 -0.9984 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G06 mock treatment 0.243 -0.00223 -0.11 0.255 0.00698 0.38 0.1928 0.4838 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G07 mock treatment 0.246 7.67E-4 0.04 0.247 -0.00102 -0.06 -0.0126 -0.1871 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G08 mock treatment 0.26 0.0148 0.73 0.264 0.016 0.88 1.1353 0.9958 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G09 mock treatment 0.243 -0.00223 -0.11 0.246 -0.00202 -0.11 -0.1561 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G10 mock treatment 0.25 0.00477 0.24 0.255 0.00698 0.38 0.4372 0.9727 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G11 mock treatment 0.239 -0.00623 -0.31 0.244 -0.00402 -0.22 -0.3733 -0.9865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G12 mock treatment 0.264 0.0188 0.93 0.261 0.013 0.71 1.1587 0.9915 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G13 mock treatment 0.281 0.0358 1.77 0.251 0.00298 0.16 1.3646 0.7693 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G14 mock treatment 0.255 0.00977 0.48 0.252 0.00398 0.22 0.4955 0.9359 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G15 mock treatment 0.258 0.0128 0.63 0.246 -0.00202 -0.11 0.3676 0.5744 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G16 mock treatment 0.246 7.67E-4 0.04 0.253 0.00498 0.27 0.22 0.7975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G17 mock treatment 0.259 0.0138 0.68 0.256 0.00798 0.44 0.7903 0.9773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G18 mock treatment 0.241 -0.00423 -0.21 0.257 0.00898 0.49 0.2005 0.3747 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G19 mock treatment 0.243 -0.00223 -0.11 0.249 9.84E-4 0.05 -0.0398 -0.3243 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G20 mock treatment 0.246 7.67E-4 0.04 0.253 0.00498 0.27 0.22 0.7975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G21 mock treatment 0.25 0.00477 0.24 0.245 -0.00302 -0.17 0.0495 0.1722 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G22 mock treatment 0.254 0.00877 0.43 0.249 9.84E-4 0.05 0.3443 0.7891 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G23 mock treatment 0.241 -0.00423 -0.21 0.244 -0.00402 -0.22 -0.3035 -0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base G24 mock treatment 0.244 -0.00123 -0.06 0.248 -1.57E-5 0.0 -0.0437 -0.717 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H01 mock treatment 0.234 -0.0112 -0.55 0.249 9.84E-4 0.05 -0.3541 -0.6353 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H02 mock treatment 0.239 -0.00623 -0.31 0.244 -0.00402 -0.22 -0.3733 -0.9865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H03 mock treatment 0.239 -0.00623 -0.31 0.255 0.00698 0.38 0.0531 0.1082 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H04 mock treatment 0.245 -2.33E-4 -0.01 0.247 -0.00102 -0.06 -0.0475 -0.8356 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H05 mock treatment 0.254 0.00877 0.43 0.249 9.84E-4 0.05 0.3443 0.7891 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H06 mock treatment 0.238 -0.00723 -0.36 0.246 -0.00202 -0.11 -0.3307 -0.8845 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H07 mock treatment 0.255 0.00977 0.48 0.247 -0.00102 -0.06 0.3017 0.6213 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H08 mock treatment 0.252 0.00677 0.33 0.255 0.00698 0.38 0.5071 0.9977 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H09 mock treatment 0.246 7.67E-4 0.04 0.249 9.84E-4 0.05 0.0649 0.985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H10 mock treatment 0.247 0.00177 0.09 0.255 0.00698 0.38 0.3325 0.8465 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H11 mock treatment 0.283 0.0378 1.86 0.248 -1.57E-5 0.0 1.3181 0.7068 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H12 mock treatment 0.31 0.0648 3.2 0.242 -0.00602 -0.33 2.0283 0.6308 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H13 mock treatment 0.344 0.0988 4.88 0.245 -0.00302 -0.17 3.3318 0.6827 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H14 mock treatment 0.272 0.0268 1.32 0.247 -0.00102 -0.06 0.8953 0.6767 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H15 mock treatment 0.257 0.0118 0.58 0.261 0.013 0.71 0.9143 0.9949 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H16 mock treatment 0.25 0.00477 0.24 0.247 -0.00102 -0.06 0.1271 0.5253 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H17 mock treatment 0.253 0.00777 0.38 0.263 0.015 0.82 0.8522 0.9398 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H18 mock treatment 0.248 0.00277 0.14 0.243 -0.00502 -0.28 -0.0978 -0.3186 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H19 mock treatment 0.254 0.00877 0.43 0.251 0.00298 0.16 0.4218 0.9114 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H20 mock treatment 0.252 0.00677 0.33 0.253 0.00498 0.27 0.4295 0.995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H21 mock treatment 0.25 0.00477 0.24 0.248 -1.57E-5 0.0 0.1658 0.7045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H22 mock treatment 0.247 0.00177 0.09 0.247 -0.00102 -0.06 0.0223 0.2156 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H23 mock treatment 0.246 7.67E-4 0.04 0.254 0.00598 0.33 0.2588 0.7835 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base H24 mock treatment 0.241 -0.00423 -0.21 0.252 0.00398 0.22 0.0067 0.022 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I01 mock treatment 0.228 -0.0172 -0.85 0.244 -0.00402 -0.22 -0.7574 -0.8617 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I02 mock treatment 0.25 0.00477 0.24 0.251 0.00298 0.16 0.2822 0.9842 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I03 mock treatment 0.245 -2.33E-4 -0.01 0.254 0.00598 0.33 0.2239 0.6819 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I04 mock treatment 0.25 0.00477 0.24 0.251 0.00298 0.16 0.2822 0.9842 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I05 mock treatment 0.245 -2.33E-4 -0.01 0.252 0.00398 0.22 0.1463 0.6689 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I06 mock treatment 0.249 0.00377 0.19 0.254 0.00598 0.33 0.3635 0.9639 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I07 mock treatment 0.25 0.00477 0.24 0.252 0.00398 0.22 0.3209 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I08 mock treatment 0.255 0.00977 0.48 0.258 0.00998 0.55 0.7281 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I09 mock treatment 0.255 0.00977 0.48 0.256 0.00798 0.44 0.6506 0.9988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I10 mock treatment 0.253 0.00777 0.38 0.244 -0.00402 -0.22 0.1155 0.2612 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I11 mock treatment 0.251 0.00577 0.28 0.249 9.84E-4 0.05 0.2395 0.8264 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I12 mock treatment 0.249 0.00377 0.19 0.253 0.00498 0.27 0.3248 0.9824 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I13 mock treatment 0.254 0.00877 0.43 0.255 0.00698 0.38 0.5769 0.9981 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I14 mock treatment 0.245 -2.33E-4 -0.01 0.256 0.00798 0.44 0.3014 0.6883 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I15 mock treatment 0.252 0.00677 0.33 0.25 0.00198 0.11 0.3132 0.8913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I16 mock treatment 0.251 0.00577 0.28 0.253 0.00498 0.27 0.3946 0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I17 mock treatment 0.266 0.0208 1.03 0.264 0.016 0.88 1.3449 0.9969 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I18 mock treatment 0.252 0.00677 0.33 0.259 0.011 0.6 0.6622 0.9614 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I19 mock treatment 0.248 0.00277 0.14 0.249 9.84E-4 0.05 0.1348 0.9174 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I20 mock treatment 0.26 0.0148 0.73 0.253 0.00498 0.27 0.7089 0.9103 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I21 mock treatment 0.256 0.0108 0.53 0.255 0.00698 0.38 0.6467 0.987 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I22 mock treatment 0.251 0.00577 0.28 0.254 0.00598 0.33 0.4334 0.9975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I23 mock treatment 0.248 0.00277 0.14 0.255 0.00698 0.38 0.3674 0.9036 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base I24 mock treatment 0.243 -0.00223 -0.11 0.258 0.00998 0.55 0.3091 0.5536 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J01 mock treatment 0.226 -0.0192 -0.95 0.238 -0.01 -0.55 -1.0599 -0.9661 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J02 mock treatment 0.231 -0.0142 -0.7 0.239 -0.00902 -0.49 -0.8465 -0.9852 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J03 mock treatment 0.241 -0.00423 -0.21 0.246 -0.00202 -0.11 -0.226 -0.9556 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J04 mock treatment 0.246 7.67E-4 0.04 0.249 9.84E-4 0.05 0.0649 0.985 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J05 mock treatment 0.246 7.67E-4 0.04 0.246 -0.00202 -0.11 -0.0514 -0.4397 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J06 mock treatment 0.239 -0.00623 -0.31 0.249 9.84E-4 0.05 -0.1795 -0.5744 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J07 mock treatment 0.247 0.00177 0.09 0.25 0.00198 0.11 0.1386 0.994 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J08 mock treatment 0.255 0.00977 0.48 0.252 0.00398 0.22 0.4955 0.9359 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J09 mock treatment 0.249 0.00377 0.19 0.251 0.00298 0.16 0.2472 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J10 mock treatment 0.237 -0.00823 -0.41 0.248 -1.57E-5 0.0 -0.2881 -0.7086 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J11 mock treatment 0.244 -0.00123 -0.06 0.244 -0.00402 -0.22 -0.1987 -0.87 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J12 mock treatment 0.242 -0.00323 -0.16 0.245 -0.00302 -0.17 -0.2298 -0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J13 mock treatment 0.24 -0.00523 -0.26 0.244 -0.00402 -0.22 -0.3384 -0.9968 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J14 mock treatment 0.242 -0.00323 -0.16 0.244 -0.00402 -0.22 -0.2686 -0.9875 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J15 mock treatment 0.243 -0.00223 -0.11 0.253 0.00498 0.27 0.1153 0.3911 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J16 mock treatment 0.246 7.67E-4 0.04 0.243 -0.00502 -0.28 -0.1677 -0.604 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J17 mock treatment 0.255 0.00977 0.48 0.256 0.00798 0.44 0.6506 0.9988 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J18 mock treatment 0.255 0.00977 0.48 0.248 -1.57E-5 0.0 0.3404 0.7058 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J19 mock treatment 0.249 0.00377 0.19 0.254 0.00598 0.33 0.3635 0.9639 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J20 mock treatment 0.248 0.00277 0.14 0.248 -1.57E-5 0.0 0.096 0.7026 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J21 mock treatment 0.242 -0.00323 -0.16 0.252 0.00398 0.22 0.0416 0.1537 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J22 mock treatment 0.244 -0.00123 -0.06 0.245 -0.00302 -0.17 -0.16 -0.9079 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J23 mock treatment 0.242 -0.00323 -0.16 0.249 9.84E-4 0.05 -0.0747 -0.4434 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base J24 mock treatment 0.239 -0.00623 -0.31 0.254 0.00598 0.33 0.0144 0.0319 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K01 mock treatment 0.226 -0.0192 -0.95 0.245 -0.00302 -0.17 -0.7885 -0.8179 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K02 mock treatment 0.246 7.67E-4 0.04 0.254 0.00598 0.33 0.2588 0.7835 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K03 mock treatment 0.248 0.00277 0.14 0.249 9.84E-4 0.05 0.1348 0.9174 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K04 mock treatment 0.247 0.00177 0.09 0.254 0.00598 0.33 0.2937 0.8651 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K05 mock treatment 0.248 0.00277 0.14 0.247 -0.00102 -0.06 0.0572 0.3879 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K06 mock treatment 0.248 0.00277 0.14 0.256 0.00798 0.44 0.4062 0.8857 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K07 mock treatment 0.245 -2.33E-4 -0.01 0.243 -0.00502 -0.28 -0.2026 -0.7361 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K08 mock treatment 0.252 0.00677 0.33 0.257 0.00898 0.49 0.5846 0.9821 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K09 mock treatment 0.247 0.00177 0.09 0.248 -1.57E-5 0.0 0.0611 0.7001 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K10 mock treatment 0.242 -0.00323 -0.16 0.251 0.00298 0.16 0.0028 0.0123 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K11 mock treatment 0.247 0.00177 0.09 0.245 -0.00302 -0.17 -0.0552 -0.2954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K12 mock treatment 0.248 0.00277 0.14 0.252 0.00398 0.22 0.2511 0.9745 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K13 mock treatment 0.248 0.00277 0.14 0.244 -0.00402 -0.22 -0.0591 -0.228 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K14 mock treatment 0.249 0.00377 0.19 0.251 0.00298 0.16 0.2472 0.998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K15 mock treatment 0.255 0.00977 0.48 0.25 0.00198 0.11 0.418 0.8454 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K16 mock treatment 0.254 0.00877 0.43 0.252 0.00398 0.22 0.4606 0.9498 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K17 mock treatment 0.257 0.0118 0.58 0.251 0.00298 0.16 0.5266 0.8723 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K18 mock treatment 0.252 0.00677 0.33 0.255 0.00698 0.38 0.5071 0.9977 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K19 mock treatment 0.248 0.00277 0.14 0.247 -0.00102 -0.06 0.0572 0.3879 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K20 mock treatment 0.245 -2.33E-4 -0.01 0.246 -0.00202 -0.11 -0.0863 -0.7765 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K21 mock treatment 0.244 -0.00123 -0.06 0.249 9.84E-4 0.05 -0.0049 -0.0602 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K22 mock treatment 0.25 0.00477 0.24 0.251 0.00298 0.16 0.2822 0.9842 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K23 mock treatment 0.247 0.00177 0.09 0.253 0.00498 0.27 0.2549 0.8887 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base K24 mock treatment 0.232 -0.0132 -0.65 0.252 0.00398 0.22 -0.3076 -0.4464 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L01 mock treatment 0.224 -0.0212 -1.05 0.246 -0.00202 -0.11 -0.8196 -0.7773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L02 mock treatment 0.248 0.00277 0.14 0.25 0.00198 0.11 0.1735 0.9936 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L03 mock treatment 0.253 0.00777 0.38 0.253 0.00498 0.27 0.4644 0.9862 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L04 mock treatment 0.246 7.67E-4 0.04 0.25 0.00198 0.11 0.1037 0.9003 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L05 mock treatment 0.25 0.00477 0.24 0.247 -0.00102 -0.06 0.1271 0.5253 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L06 mock treatment 0.255 0.00977 0.48 0.251 0.00298 0.16 0.4567 0.8968 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L07 mock treatment 0.252 0.00677 0.33 0.249 9.84E-4 0.05 0.2744 0.8108 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L08 mock treatment 0.252 0.00677 0.33 0.25 0.00198 0.11 0.3132 0.8913 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L09 mock treatment 0.256 0.0108 0.53 0.257 0.00898 0.49 0.7243 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L10 mock treatment 0.243 -0.00223 -0.11 0.251 0.00298 0.16 0.0377 0.1912 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L11 mock treatment 0.252 0.00677 0.33 0.251 0.00298 0.16 0.352 0.946 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L12 mock treatment 0.247 0.00177 0.09 0.245 -0.00302 -0.17 -0.0552 -0.2954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L13 mock treatment 0.254 0.00877 0.43 0.251 0.00298 0.16 0.4218 0.9114 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L14 mock treatment 0.244 -0.00123 -0.06 0.246 -0.00202 -0.11 -0.1212 -0.9605 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L15 mock treatment 0.249 0.00377 0.19 0.253 0.00498 0.27 0.3248 0.9824 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L16 mock treatment 0.248 0.00277 0.14 0.246 -0.00202 -0.11 0.0185 0.1051 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L17 mock treatment 0.258 0.0128 0.63 0.264 0.016 0.88 1.0655 0.9869 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L18 mock treatment 0.25 0.00477 0.24 0.252 0.00398 0.22 0.3209 0.9993 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L19 mock treatment 0.251 0.00577 0.28 0.252 0.00398 0.22 0.3558 0.9914 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L20 mock treatment 0.251 0.00577 0.28 0.249 9.84E-4 0.05 0.2395 0.8264 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L21 mock treatment 0.251 0.00577 0.28 0.251 0.00298 0.16 0.3171 0.9654 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L22 mock treatment 0.248 0.00277 0.14 0.25 0.00198 0.11 0.1735 0.9936 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L23 mock treatment 0.25 0.00477 0.24 0.254 0.00598 0.33 0.3985 0.9867 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base L24 mock treatment 0.243 -0.00223 -0.11 0.246 -0.00202 -0.11 -0.1561 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M01 mock treatment 0.214 -0.0312 -1.54 0.249 9.84E-4 0.05 -1.0524 -0.6819 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M02 mock treatment 0.247 0.00177 0.09 0.245 -0.00302 -0.17 -0.0552 -0.2954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M03 mock treatment 0.25 0.00477 0.24 0.248 -1.57E-5 0.0 0.1658 0.7045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M04 mock treatment 0.244 -0.00123 -0.06 0.254 0.00598 0.33 0.189 0.5662 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M05 mock treatment 0.245 -2.33E-4 -0.01 0.243 -0.00502 -0.28 -0.2026 -0.7361 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M06 mock treatment 0.243 -0.00223 -0.11 0.241 -0.00702 -0.38 -0.35 -0.8746 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M07 mock treatment 0.245 -2.33E-4 -0.01 0.246 -0.00202 -0.11 -0.0863 -0.7765 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M08 mock treatment 0.247 0.00177 0.09 0.257 0.00898 0.49 0.41 0.8196 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M09 mock treatment 0.246 7.67E-4 0.04 0.247 -0.00102 -0.06 -0.0126 -0.1871 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M10 mock treatment 0.245 -2.33E-4 -0.01 0.243 -0.00502 -0.28 -0.2026 -0.7361 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M11 mock treatment 0.248 0.00277 0.14 0.246 -0.00202 -0.11 0.0185 0.1051 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M12 mock treatment 0.246 7.67E-4 0.04 0.253 0.00498 0.27 0.22 0.7975 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M13 mock treatment 0.242 -0.00323 -0.16 0.248 -1.57E-5 0.0 -0.1135 -0.7109 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M14 mock treatment 0.239 -0.00623 -0.31 0.245 -0.00302 -0.17 -0.3346 -0.9575 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M15 mock treatment 0.251 0.00577 0.28 0.248 -1.57E-5 0.0 0.2008 0.705 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M16 mock treatment 0.241 -0.00423 -0.21 0.248 -1.57E-5 0.0 -0.1484 -0.71 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M17 mock treatment 0.247 0.00177 0.09 0.251 0.00298 0.16 0.1774 0.9567 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M18 mock treatment 0.247 0.00177 0.09 0.249 9.84E-4 0.05 0.0999 0.9733 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M19 mock treatment 0.243 -0.00223 -0.11 0.253 0.00498 0.27 0.1153 0.3911 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M20 mock treatment 0.237 -0.00823 -0.41 0.246 -0.00202 -0.11 -0.3656 -0.8678 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M21 mock treatment 0.25 0.00477 0.24 0.243 -0.00502 -0.28 -0.028 -0.0774 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M22 mock treatment 0.241 -0.00423 -0.21 0.25 0.00198 0.11 -0.0709 -0.3008 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M23 mock treatment 0.25 0.00477 0.24 0.25 0.00198 0.11 0.2434 0.9385 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base M24 mock treatment 0.224 -0.0212 -1.05 0.245 -0.00302 -0.17 -0.8583 -0.8086 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N01 mock treatment 0.229 -0.0162 -0.8 0.237 -0.011 -0.6 -0.9939 -0.9903 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N02 mock treatment 0.24 -0.00523 -0.26 0.242 -0.00602 -0.33 -0.416 -0.9927 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N03 mock treatment 0.243 -0.00223 -0.11 0.252 0.00398 0.22 0.0765 0.3126 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N04 mock treatment 0.246 7.67E-4 0.04 0.233 -0.015 -0.82 -0.5554 -0.6739 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N05 mock treatment 0.253 0.00777 0.38 0.248 -1.57E-5 0.0 0.2706 0.7055 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N06 mock treatment 0.251 0.00577 0.28 0.243 -0.00502 -0.28 0.0069 0.0174 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N07 mock treatment 0.238 -0.00723 -0.36 0.235 -0.013 -0.71 -0.7572 -0.9488 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N08 mock treatment 0.234 -0.0112 -0.55 0.237 -0.011 -0.6 -0.8193 -0.9991 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N09 mock treatment 0.243 -0.00223 -0.11 0.242 -0.00602 -0.33 -0.3112 -0.8948 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N10 mock treatment 0.239 -0.00623 -0.31 0.246 -0.00202 -0.11 -0.2958 -0.9045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N11 mock treatment 0.239 -0.00623 -0.31 0.244 -0.00402 -0.22 -0.3733 -0.9865 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N12 mock treatment 0.25 0.00477 0.24 0.244 -0.00402 -0.22 0.0108 0.0334 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N13 mock treatment 0.24 -0.00523 -0.26 0.248 -1.57E-5 0.0 -0.1833 -0.7095 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N14 mock treatment 0.239 -0.00623 -0.31 0.246 -0.00202 -0.11 -0.2958 -0.9045 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N15 mock treatment 0.243 -0.00223 -0.11 0.241 -0.00702 -0.38 -0.35 -0.8746 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N16 mock treatment 0.244 -0.00123 -0.06 0.246 -0.00202 -0.11 -0.1212 -0.9605 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N17 mock treatment 0.248 0.00277 0.14 0.25 0.00198 0.11 0.1735 0.9936 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N18 mock treatment 0.242 -0.00323 -0.16 0.239 -0.00902 -0.49 -0.4624 -0.8902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N19 mock treatment 0.248 0.00277 0.14 0.243 -0.00502 -0.28 -0.0978 -0.3186 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N20 mock treatment 0.244 -0.00123 -0.06 0.242 -0.00602 -0.33 -0.2763 -0.8237 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N21 mock treatment 0.243 -0.00223 -0.11 0.252 0.00398 0.22 0.0765 0.3126 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N22 mock treatment 0.247 0.00177 0.09 0.245 -0.00302 -0.17 -0.0552 -0.2954 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N23 mock treatment 0.24 -0.00523 -0.26 0.244 -0.00402 -0.22 -0.3384 -0.9968 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base N24 mock treatment 0.224 -0.0212 -1.05 0.254 0.00598 0.33 -0.5094 -0.4637 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O01 mock treatment 0.2 -0.0452 -2.23 0.24 -0.00802 -0.44 -1.8902 -0.8303 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O02 mock treatment 0.243 -0.00223 -0.11 0.248 -1.57E-5 0.0 -0.0786 -0.7126 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O03 mock treatment 0.246 7.67E-4 0.04 0.242 -0.00602 -0.33 -0.2065 -0.6218 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O04 mock treatment 0.25 0.00477 0.24 0.25 0.00198 0.11 0.2434 0.9385 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O05 mock treatment 0.25 0.00477 0.24 0.241 -0.00702 -0.38 -0.1056 -0.234 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O06 mock treatment 0.25 0.00477 0.24 0.253 0.00498 0.27 0.3597 0.9972 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O07 mock treatment 0.243 -0.00223 -0.11 0.244 -0.00402 -0.22 -0.2337 -0.9489 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O08 mock treatment 0.256 0.0108 0.53 0.247 -0.00102 -0.06 0.3366 0.6296 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O09 mock treatment 0.241 -0.00423 -0.21 0.238 -0.01 -0.55 -0.5361 -0.9124 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O10 mock treatment 0.238 -0.00723 -0.36 0.247 -0.00102 -0.06 -0.2919 -0.8076 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O11 mock treatment 0.242 -0.00323 -0.16 0.239 -0.00902 -0.49 -0.4624 -0.8902 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O12 mock treatment 0.265 0.0198 0.98 0.253 0.00498 0.27 0.8835 0.8716 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O13 mock treatment 0.241 -0.00423 -0.21 0.237 -0.011 -0.6 -0.5749 -0.8995 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O14 mock treatment 0.241 -0.00423 -0.21 0.246 -0.00202 -0.11 -0.226 -0.9556 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O15 mock treatment 0.241 -0.00423 -0.21 0.243 -0.00502 -0.28 -0.3423 -0.9908 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O16 mock treatment 0.245 -2.33E-4 -0.01 0.247 -0.00102 -0.06 -0.0475 -0.8356 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O17 mock treatment 0.245 -2.33E-4 -0.01 0.244 -0.00402 -0.22 -0.1638 -0.7431 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O18 mock treatment 0.248 0.00277 0.14 0.254 0.00598 0.33 0.3286 0.9246 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O19 mock treatment 0.241 -0.00423 -0.21 0.244 -0.00402 -0.22 -0.3035 -0.9997 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O20 mock treatment 0.238 -0.00723 -0.36 0.236 -0.012 -0.66 -0.7184 -0.9586 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O21 mock treatment 0.243 -0.00223 -0.11 0.24 -0.00802 -0.44 -0.3887 -0.8579 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O22 mock treatment 0.243 -0.00223 -0.11 0.244 -0.00402 -0.22 -0.2337 -0.9489 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O23 mock treatment 0.242 -0.00323 -0.16 0.245 -0.00302 -0.17 -0.2298 -0.9998 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base O24 mock treatment 0.212 -0.0332 -1.64 0.247 -0.00102 -0.06 -1.1998 -0.7307 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P01 mock treatment 0.204 -0.0412 -2.04 0.226 -0.022 -1.21 -2.2933 -0.9688 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P02 mock treatment 0.221 -0.0242 -1.2 0.237 -0.011 -0.6 -1.2733 -0.9499 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P03 mock treatment 0.245 -2.33E-4 -0.01 0.248 -1.57E-5 0.0 -0.0087 -0.7579 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P04 mock treatment 0.245 -2.33E-4 -0.01 0.238 -0.01 -0.55 -0.3965 -0.7218 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P05 mock treatment 0.243 -0.00223 -0.11 0.249 9.84E-4 0.05 -0.0398 -0.3243 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P06 mock treatment 0.24 -0.00523 -0.26 0.242 -0.00602 -0.33 -0.416 -0.9927 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P07 mock treatment 0.243 -0.00223 -0.11 0.246 -0.00202 -0.11 -0.1561 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P08 mock treatment 0.246 7.67E-4 0.04 0.251 0.00298 0.16 0.1425 0.8483 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P09 mock treatment 0.242 -0.00323 -0.16 0.247 -0.00102 -0.06 -0.1523 -0.9005 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P10 mock treatment 0.24 -0.00523 -0.26 0.25 0.00198 0.11 -0.1058 -0.3773 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P11 mock treatment 0.241 -0.00423 -0.21 0.245 -0.00302 -0.17 -0.2647 -0.9933 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P12 mock treatment 0.241 -0.00423 -0.21 0.245 -0.00302 -0.17 -0.2647 -0.9933 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P13 mock treatment 0.236 -0.00923 -0.46 0.246 -0.00202 -0.11 -0.4005 -0.8538 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P14 mock treatment 0.241 -0.00423 -0.21 0.249 9.84E-4 0.05 -0.1096 -0.5079 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P15 mock treatment 0.239 -0.00623 -0.31 0.248 -1.57E-5 0.0 -0.2183 -0.7091 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P16 mock treatment 0.243 -0.00223 -0.11 0.244 -0.00402 -0.22 -0.2337 -0.9489 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P17 mock treatment 0.25 0.00477 0.24 0.257 0.00898 0.49 0.5148 0.9429 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P18 mock treatment 0.24 -0.00523 -0.26 0.245 -0.00302 -0.17 -0.2996 -0.9767 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P19 mock treatment 0.248 0.00277 0.14 0.252 0.00398 0.22 0.2511 0.9745 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P20 mock treatment 0.243 -0.00223 -0.11 0.246 -0.00202 -0.11 -0.1561 -1.0 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P21 mock treatment 0.24 -0.00523 -0.26 0.251 0.00298 0.16 -0.067 -0.2191 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P22 mock treatment 0.241 -0.00423 -0.21 0.243 -0.00502 -0.28 -0.3423 -0.9908 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P23 mock treatment 0.225 -0.0202 -1.0 0.244 -0.00402 -0.22 -0.8622 -0.8427 1051.0021 OpticalDensity(1051.0021) HemeDetoxification 1051.0021.Base P24 mock treatment 0.229 -0.0162 -0.8 0.238 -0.01 -0.55 -0.9551 -0.983